NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
567101 |
2m4k   |
16912 | cing | 1-original | 3 | XPLOR/CNS | distance | NOE | ambi |
assign (resid 2 and name HA1) (resid 5 and name HN) 3.121 1.218 2.718 weight 1.000 ! spec=HCH_al, no=115, id=2008, vol=2.560000e+06
assign (resid 3 and name HN) (resid 3 and name HB) 2.769 0.958 2.458 weight 1.000 ! spec=HCH_al, no=127, id=2013, vol=5.250000e+06
assign (resid 119 and name HN) (resid 118 and name HB) 2.387 0.712 2.212 weight 1.000 ! spec=HCH_al, no=128, id=2014, vol=1.280000e+07
assign (resid 5 and name HN) (resid 3 and name HB) 3.283 1.347 2.847 weight 1.000 ! spec=HCH_al, no=129, id=2015, vol=1.890000e+06
assign (resid 3 and name HB) (resid 2 and name HA2) 3.177 1.262 2.762 weight 1.000 ! spec=HCH_al, no=130, id=2016, vol=2.300000e+06
assign (resid 3 and name HN) (resid 3 and name HG12) 3.383 1.430 2.93 weight 1.000 ! spec=HCH_al, no=134, id=2019, vol=1.580000e+06
assign (resid 3 and name HG12) (resid 4 and name HN) 3.242 1.313 2.813 weight 1.000 ! spec=HCH_al, no=135, id=2020, vol=2.040000e+06
assign (resid 79 and name HG1) (resid 79 and name HE) 3.054 1.165 2.665 weight 1.000 ! spec=HCH_al, no=136, id=2021, vol=2.920000e+06
assign (resid 3 and name HG12) (resid 3 and name HA) 2.400 0.720 2.22 weight 1.000 ! spec=HCH_al, no=137, id=2022, vol=1.240000e+07
assign (resid 3 and name HG12) (resid 22 and name HB2) 3.494 1.526 3.026 weight 1.000 ! spec=HCH_al, no=138, id=2023, vol=1.300000e+06
or (resid 3 and name HG12) (resid 22 and name HB1)
assign (resid 3 and name HG12) (resid 3 and name HB) 2.354 0.693 2.193 weight 1.000 ! spec=HCH_al, no=139, id=2024, vol=1.390000e+07
assign (resid 3 and name HG11) (resid 6 and name HD1) 3.688 1.701 3.201 weight 1.000 ! spec=HCH_al, no=141, id=2026, vol=9.400000e+05
or (resid 3 and name HG11) (resid 6 and name HD2)
assign (resid 3 and name HG11) (resid 22 and name HB2) 3.129 1.224 2.724 weight 1.000 ! spec=HCH_al, no=142, id=2027, vol=2.520000e+06
or (resid 3 and name HG11) (resid 22 and name HB1)
assign (resid 3 and name HB) (resid 3 and name HG11) 2.390 0.714 2.214 weight 1.000 ! spec=HCH_al, no=143, id=2028, vol=1.270000e+07
assign (resid 3 and name HG11) (resid 3 and name HG12) 1.982 0.491 1.991 weight 1.000 ! spec=HCH_al, no=144, id=2029, vol=3.910000e+07
assign (resid 4 and name HA) (resid 4 and name HN) 2.235 0.624 2.124 weight 1.000 ! spec=HCH_al, no=147, id=2031, vol=1.900000e+07
assign (resid 5 and name HN) (resid 4 and name HA) 2.455 0.754 2.254 weight 1.000 ! spec=HCH_al, no=148, id=2032, vol=1.080000e+07
assign (resid 4 and name HA) (resid 4 and name HB2) 2.233 0.623 2.123 weight 1.000 ! spec=HCH_al, no=149, id=2033, vol=1.910000e+07
assign (resid 4 and name HA) (resid 4 and name HB1) 2.314 0.670 2.17 weight 1.000 ! spec=HCH_al, no=150, id=2034, vol=1.540000e+07
assign (resid 4 and name HA) (resid 4 and name HG2) 2.683 0.900 2.4 weight 1.000 ! spec=HCH_al, no=151, id=2035, vol=6.350000e+06
assign (resid 4 and name HB2) (resid 5 and name HN) 2.993 1.120 2.62 weight 1.000 ! spec=HCH_al, no=155, id=2039, vol=3.290000e+06
assign (resid 4 and name HB2) (resid 5 and name HE21) 3.692 1.704 3.204 weight 1.000 ! spec=HCH_al, no=156, id=2040, vol=9.340000e+05
assign (resid 4 and name HB1) (resid 5 and name HN) 2.970 1.102 2.602 weight 1.000 ! spec=HCH_al, no=159, id=2043, vol=3.450000e+06
assign (resid 4 and name HG2) (resid 5 and name HN) 3.010 1.133 2.633 weight 1.000 ! spec=HCH_al, no=161, id=2045, vol=3.180000e+06
assign (resid 5 and name HN) (resid 5 and name HG2) 2.508 0.787 2.287 weight 1.000 ! spec=HCH_al, no=165, id=2049, vol=9.500000e+06
assign (resid 5 and name HG2) (resid 6 and name HD1) 3.250 1.320 2.82 weight 1.000 ! spec=HCH_al, no=167, id=2051, vol=2.010000e+06
or (resid 5 and name HG2) (resid 6 and name HD2)
assign (resid 5 and name HN) (resid 5 and name HG1) 2.646 0.875 2.375 weight 1.000 ! spec=HCH_al, no=171, id=2054, vol=6.890000e+06
assign (resid 5 and name HE22) (resid 5 and name HG1) 2.970 1.102 2.602 weight 1.000 ! spec=HCH_al, no=173, id=2056, vol=3.450000e+06
assign (resid 5 and name HG1) (resid 5 and name HG2) 1.878 0.441 1.941 weight 1.000 ! spec=HCH_al, no=174, id=2057, vol=5.400000e+07
assign (resid 7 and name HN) (resid 6 and name HB2) 2.901 1.052 2.552 weight 1.000 ! spec=HCH_al, no=176, id=2058, vol=3.970000e+06
assign (resid 6 and name HB2) (resid 11 and name HG) 2.954 1.091 2.591 weight 1.000 ! spec=HCH_al, no=181, id=2062, vol=3.560000e+06
assign (resid 6 and name HN) (resid 6 and name HB1) 2.731 0.933 2.433 weight 1.000 ! spec=HCH_al, no=183, id=2064, vol=5.700000e+06
assign (resid 6 and name HB1) (resid 6 and name HA) 2.801 0.981 2.481 weight 1.000 ! spec=HCH_al, no=185, id=2066, vol=4.900000e+06
assign (resid 6 and name HB1) (resid 6 and name HB2) 2.393 0.716 2.216 weight 1.000 ! spec=HCH_al, no=186, id=2067, vol=1.260000e+07
assign (resid 6 and name HB1) (resid 10 and name HB1) 3.138 1.231 2.731 weight 1.000 ! spec=HCH_al, no=187, id=2068, vol=2.480000e+06
assign (resid 9 and name HN) (resid 7 and name HA) 2.978 1.109 2.609 weight 1.000 ! spec=HCH_al, no=190, id=2071, vol=3.390000e+06
assign (resid 8 and name HN) (resid 7 and name HB1) 2.864 1.025 2.525 weight 1.000 ! spec=HCH_al, no=192, id=2073, vol=4.290000e+06
assign (resid 9 and name HN) (resid 7 and name HB1) 3.059 1.170 2.67 weight 1.000 ! spec=HCH_al, no=193, id=2074, vol=2.890000e+06
assign (resid 7 and name HB1) (resid 7 and name HB2) 2.253 0.634 2.134 weight 1.000 ! spec=HCH_al, no=196, id=2077, vol=1.810000e+07
assign (resid 8 and name HN) (resid 8 and name HA) 2.630 0.865 2.365 weight 1.000 ! spec=HCH_al, no=199, id=2079, vol=7.150000e+06
assign (resid 8 and name HA) (resid 9 and name HN) 2.803 0.982 2.482 weight 1.000 ! spec=HCH_al, no=200, id=2080, vol=4.880000e+06
assign (resid 8 and name HA) (resid 11 and name HN) 2.791 0.974 2.474 weight 1.000 ! spec=HCH_al, no=201, id=2081, vol=5.010000e+06
assign (resid 8 and name HA) (resid 11 and name HB2) 2.475 0.766 2.266 weight 1.000 ! spec=HCH_al, no=204, id=2083, vol=1.030000e+07
assign (resid 8 and name HA) (resid 11 and name HB1) 2.837 1.006 2.506 weight 1.000 ! spec=HCH_al, no=205, id=2084, vol=4.540000e+06
assign (resid 8 and name HB2) (resid 8 and name HA) 2.300 0.661 2.161 weight 1.000 ! spec=HCH_al, no=207, id=2086, vol=1.600000e+07
assign (resid 19 and name HN) (resid 18 and name HB1) 3.182 1.266 2.766 weight 1.000 ! spec=HCH_al, no=208, id=2087, vol=2.280000e+06
assign (resid 8 and name HG2) (resid 8 and name HA) 2.241 0.628 2.128 weight 1.000 ! spec=HCH_al, no=214, id=2092, vol=1.870000e+07
assign (resid 8 and name HG2) (resid 11 and name HD12) 2.737 0.936 2.436 weight 1.000 ! spec=HCH_al, no=215, id=2093, vol=5.630000e+06
or (resid 8 and name HG2) (resid 11 and name HD11)
or (resid 8 and name HG2) (resid 11 and name HD13)
assign (resid 8 and name HG2) (resid 44 and name HD22) 3.009 1.132 2.632 weight 1.000 ! spec=HCH_al, no=216, id=2094, vol=3.190000e+06
or (resid 8 and name HG2) (resid 44 and name HD21)
or (resid 8 and name HG2) (resid 44 and name HD23)
or (resid 8 and name HG2) (resid 44 and name HD12)
or (resid 8 and name HG2) (resid 44 and name HD11)
or (resid 8 and name HG2) (resid 44 and name HD13)
assign (resid 74 and name HN) (resid 74 and name HG2) 2.610 0.851 2.351 weight 1.000 ! spec=HCH_al, no=218, id=2096, vol=7.490000e+06
or (resid 74 and name HN) (resid 74 and name HG1)
assign (resid 8 and name HG1) (resid 8 and name HA) 2.188 0.598 2.098 weight 1.000 ! spec=HCH_al, no=221, id=2098, vol=2.160000e+07
assign (resid 8 and name HG1) (resid 12 and name HE2) 2.775 0.963 2.463 weight 1.000 ! spec=HCH_al, no=222, id=2099, vol=5.180000e+06
or (resid 8 and name HG1) (resid 12 and name HE1)
assign (resid 8 and name HG1) (resid 44 and name HD22) 3.236 1.309 2.809 weight 1.000 ! spec=HCH_al, no=223, id=2100, vol=2.060000e+06
or (resid 8 and name HG1) (resid 44 and name HD21)
or (resid 8 and name HG1) (resid 44 and name HD23)
or (resid 8 and name HG1) (resid 44 and name HD12)
or (resid 8 and name HG1) (resid 44 and name HD11)
or (resid 8 and name HG1) (resid 44 and name HD13)
assign (resid 9 and name HA) (resid 9 and name HG1) 2.437 0.742 2.242 weight 1.000 ! spec=HCH_al, no=226, id=2103, vol=1.130000e+07
assign (resid 9 and name HA) (resid 9 and name HB1) 2.300 0.661 2.161 weight 1.000 ! spec=HCH_al, no=228, id=2105, vol=1.600000e+07
assign (resid 9 and name HA) (resid 12 and name HG1) 3.146 1.237 2.737 weight 1.000 ! spec=HCH_al, no=230, id=2107, vol=2.440000e+06
assign (resid 49 and name HN) (resid 49 and name HG2) 2.622 0.859 2.359 weight 1.000 ! spec=HCH_al, no=231, id=2108, vol=7.290000e+06
assign (resid 9 and name HN) (resid 9 and name HG2) 2.514 0.790 2.29 weight 1.000 ! spec=HCH_al, no=232, id=2109, vol=9.370000e+06
assign (resid 50 and name HN) (resid 49 and name HG2) 3.090 1.193 2.693 weight 1.000 ! spec=HCH_al, no=233, id=2110, vol=2.720000e+06
assign (resid 9 and name HA) (resid 9 and name HG2) 2.357 0.695 2.195 weight 1.000 ! spec=HCH_al, no=235, id=2112, vol=1.380000e+07
assign (resid 9 and name HG2) (resid 9 and name HG1) 1.467 0.269 1.769 weight 1.000 ! spec=HCH_al, no=237, id=2114, vol=2.370000e+08
assign (resid 10 and name HA) (resid 11 and name HN) 2.851 1.016 2.516 weight 1.000 ! spec=HCH_al, no=243, id=2120, vol=4.410000e+06
assign (resid 10 and name HN) (resid 10 and name HA) 2.471 0.763 2.263 weight 1.000 ! spec=HCH_al, no=244, id=2121, vol=1.040000e+07
assign (resid 10 and name HA) (resid 10 and name HG2) 2.219 0.616 2.116 weight 1.000 ! spec=HCH_al, no=246, id=2123, vol=1.980000e+07
or (resid 10 and name HA) (resid 10 and name HG1)
assign (resid 10 and name HA) (resid 10 and name HB1) 2.369 0.701 2.201 weight 1.000 ! spec=HCH_al, no=247, id=2124, vol=1.340000e+07
assign (resid 10 and name HB2) (resid 6 and name HA) 3.166 1.253 2.753 weight 1.000 ! spec=HCH_al, no=251, id=2128, vol=2.350000e+06
assign (resid 10 and name HB2) (resid 6 and name HB2) 3.134 1.227 2.727 weight 1.000 ! spec=HCH_al, no=253, id=2130, vol=2.500000e+06
assign (resid 10 and name HB2) (resid 6 and name HB1) 3.420 1.462 2.962 weight 1.000 ! spec=HCH_al, no=254, id=2131, vol=1.480000e+06
assign (resid 7 and name HN) (resid 10 and name HB1) 2.934 1.076 2.576 weight 1.000 ! spec=HCH_al, no=255, id=2132, vol=3.710000e+06
assign (resid 10 and name HG2) (resid 6 and name HA) 3.038 1.154 2.654 weight 1.000 ! spec=HCH_al, no=256, id=2133, vol=3.010000e+06
or (resid 10 and name HG1) (resid 6 and name HA)
assign (resid 11 and name HA) (resid 12 and name HN) 2.949 1.087 2.587 weight 1.000 ! spec=HCH_al, no=259, id=2136, vol=3.600000e+06
assign (resid 11 and name HA) (resid 14 and name HN) 3.138 1.231 2.731 weight 1.000 ! spec=HCH_al, no=260, id=2137, vol=2.480000e+06
assign (resid 11 and name HA) (resid 11 and name HB2) 2.618 0.857 2.357 weight 1.000 ! spec=HCH_al, no=264, id=2141, vol=7.350000e+06
assign (resid 11 and name HA) (resid 11 and name HG) 3.010 1.133 2.633 weight 1.000 ! spec=HCH_al, no=265, id=2142, vol=3.180000e+06
assign (resid 11 and name HA) (resid 11 and name HB1) 2.498 0.780 2.28 weight 1.000 ! spec=HCH_al, no=266, id=2143, vol=9.730000e+06
assign (resid 11 and name HA) (resid 11 and name HD22) 2.293 0.657 2.157 weight 1.000 ! spec=HCH_al, no=267, id=2144, vol=1.630000e+07
or (resid 11 and name HA) (resid 11 and name HD21)
or (resid 11 and name HA) (resid 11 and name HD23)
assign (resid 44 and name HG) (resid 44 and name HD22) 2.099 0.551 2.051 weight 1.000 ! spec=HCH_al, no=270, id=2147, vol=2.770000e+07
or (resid 44 and name HG) (resid 44 and name HD21)
or (resid 44 and name HG) (resid 44 and name HD23)
or (resid 44 and name HG) (resid 44 and name HD12)
or (resid 44 and name HG) (resid 44 and name HD11)
or (resid 44 and name HG) (resid 44 and name HD13)
assign (resid 11 and name HD12) (resid 12 and name HN) 2.676 0.895 2.395 weight 1.000 ! spec=HCH_al, no=271, id=2148, vol=6.450000e+06
or (resid 11 and name HD11) (resid 12 and name HN)
or (resid 11 and name HD13) (resid 12 and name HN)
assign (resid 69 and name HD12) (resid 79 and name HD2) 2.547 0.811 2.311 weight 1.000 ! spec=HCH_al, no=275, id=2152, vol=8.670000e+06
or (resid 69 and name HD11) (resid 79 and name HD2)
or (resid 69 and name HD13) (resid 79 and name HD2)
assign (resid 12 and name HN) (resid 12 and name HA) 2.390 0.714 2.214 weight 1.000 ! spec=HCH_al, no=276, id=2153, vol=1.270000e+07
assign (resid 79 and name HA) (resid 79 and name HB1) 2.338 0.683 2.183 weight 1.000 ! spec=HCH_al, no=281, id=2157, vol=1.450000e+07
assign (resid 12 and name HN) (resid 12 and name HG2) 2.492 0.776 2.276 weight 1.000 ! spec=HCH_al, no=289, id=2164, vol=9.880000e+06
assign (resid 12 and name HG2) (resid 12 and name HE2) 2.633 0.866 2.366 weight 1.000 ! spec=HCH_al, no=291, id=2166, vol=7.110000e+06
or (resid 12 and name HG2) (resid 12 and name HE1)
assign (resid 12 and name HG2) (resid 8 and name HG1) 3.086 1.190 2.69 weight 1.000 ! spec=HCH_al, no=292, id=2167, vol=2.740000e+06
assign (resid 12 and name HN) (resid 12 and name HG1) 2.934 1.076 2.576 weight 1.000 ! spec=HCH_al, no=295, id=2169, vol=3.710000e+06
assign (resid 12 and name HG2) (resid 12 and name HG1) 1.686 0.355 1.855 weight 1.000 ! spec=HCH_al, no=296, id=2170, vol=1.030000e+08
assign (resid 49 and name HN) (resid 47 and name HD2) 2.802 0.981 2.481 weight 1.000 ! spec=HCH_al, no=298, id=2172, vol=4.890000e+06
or (resid 49 and name HN) (resid 47 and name HD1)
assign (resid 79 and name HB2) (resid 79 and name HD2) 2.810 0.987 2.487 weight 1.000 ! spec=HCH_al, no=302, id=2176, vol=4.810000e+06
assign (resid 13 and name HN) (resid 13 and name HA) 2.553 0.815 2.315 weight 1.000 ! spec=HCH_al, no=303, id=2177, vol=8.540000e+06
assign (resid 13 and name HA) (resid 13 and name HB2) 1.950 0.475 1.975 weight 1.000 ! spec=HCH_al, no=305, id=2178, vol=4.310000e+07
assign (resid 13 and name HA) (resid 13 and name HB1) 2.263 0.640 2.14 weight 1.000 ! spec=HCH_al, no=306, id=2179, vol=1.760000e+07
assign (resid 14 and name HN) (resid 13 and name HB2) 3.231 1.305 2.805 weight 1.000 ! spec=HCH_al, no=307, id=2180, vol=2.080000e+06
assign (resid 13 and name HB2) (resid 10 and name HA) 3.261 1.329 2.829 weight 1.000 ! spec=HCH_al, no=310, id=2183, vol=1.970000e+06
assign (resid 13 and name HB1) (resid 14 and name HN) 3.175 1.260 2.76 weight 1.000 ! spec=HCH_al, no=311, id=2184, vol=2.310000e+06
assign (resid 13 and name HG2) (resid 14 and name HN) 2.976 1.107 2.607 weight 1.000 ! spec=HCH_al, no=314, id=2187, vol=3.410000e+06
assign (resid 13 and name HN) (resid 13 and name HG2) 2.354 0.693 2.193 weight 1.000 ! spec=HCH_al, no=315, id=2188, vol=1.390000e+07
assign (resid 13 and name HN) (resid 13 and name HG1) 2.384 0.710 2.21 weight 1.000 ! spec=HCH_al, no=321, id=2194, vol=1.290000e+07
assign (resid 15 and name HN) (resid 14 and name HA) 2.005 0.503 2.003 weight 1.000 ! spec=HCH_al, no=323, id=2196, vol=3.640000e+07
assign (resid 13 and name HN) (resid 14 and name HA) 3.069 1.178 2.678 weight 1.000 ! spec=HCH_al, no=324, id=2197, vol=2.830000e+06
assign (resid 14 and name HA) (resid 14 and name HG2) 2.518 0.793 2.293 weight 1.000 ! spec=HCH_al, no=325, id=2198, vol=9.280000e+06
assign (resid 15 and name HN) (resid 14 and name HB2) 2.669 0.890 2.39 weight 1.000 ! spec=HCH_al, no=327, id=2200, vol=6.550000e+06
or (resid 15 and name HN) (resid 14 and name HB1)
assign (resid 19 and name HN) (resid 14 and name HB2) 3.365 1.415 2.915 weight 1.000 ! spec=HCH_al, no=328, id=2201, vol=1.630000e+06
or (resid 19 and name HN) (resid 14 and name HB1)
assign (resid 14 and name HB2) (resid 14 and name HA) 2.550 0.813 2.313 weight 1.000 ! spec=HCH_al, no=331, id=2204, vol=8.600000e+06
or (resid 14 and name HB1) (resid 14 and name HA)
assign (resid 14 and name HB2) (resid 19 and name HG12) 2.586 0.836 2.336 weight 1.000 ! spec=HCH_al, no=335, id=2207, vol=7.910000e+06
or (resid 14 and name HB1) (resid 19 and name HG12)
assign (resid 14 and name HN) (resid 14 and name HG2) 2.528 0.799 2.299 weight 1.000 ! spec=HCH_al, no=339, id=2211, vol=9.060000e+06
assign (resid 13 and name HN) (resid 14 and name HG2) 3.014 1.135 2.635 weight 1.000 ! spec=HCH_al, no=340, id=2212, vol=3.160000e+06
assign (resid 11 and name HA) (resid 14 and name HG2) 2.862 1.024 2.524 weight 1.000 ! spec=HCH_al, no=342, id=2214, vol=4.310000e+06
assign (resid 14 and name HB2) (resid 14 and name HG2) 2.441 0.745 2.245 weight 1.000 ! spec=HCH_al, no=343, id=2215, vol=1.120000e+07
or (resid 14 and name HB1) (resid 14 and name HG2)
assign (resid 15 and name HN) (resid 14 and name HG1) 2.832 1.002 2.502 weight 1.000 ! spec=HCH_al, no=346, id=2218, vol=4.590000e+06
assign (resid 14 and name HN) (resid 14 and name HG1) 2.674 0.894 2.394 weight 1.000 ! spec=HCH_al, no=347, id=2219, vol=6.470000e+06
assign (resid 14 and name HA) (resid 14 and name HG1) 2.459 0.756 2.256 weight 1.000 ! spec=HCH_al, no=348, id=2220, vol=1.070000e+07
assign (resid 11 and name HA) (resid 14 and name HG1) 3.082 1.188 2.688 weight 1.000 ! spec=HCH_al, no=349, id=2221, vol=2.760000e+06
assign (resid 14 and name HB2) (resid 14 and name HG1) 2.416 0.730 2.23 weight 1.000 ! spec=HCH_al, no=351, id=2223, vol=1.190000e+07
or (resid 14 and name HB1) (resid 14 and name HG1)
assign (resid 14 and name HG1) (resid 19 and name HD12) 2.939 1.080 2.58 weight 1.000 ! spec=HCH_al, no=353, id=2225, vol=3.670000e+06
or (resid 14 and name HG1) (resid 19 and name HD11)
or (resid 14 and name HG1) (resid 19 and name HD13)
assign (resid 15 and name HA) (resid 17 and name HN) 3.022 1.141 2.641 weight 1.000 ! spec=HCH_al, no=354, id=2226, vol=3.110000e+06
assign (resid 15 and name HA) (resid 15 and name HN) 2.531 0.801 2.301 weight 1.000 ! spec=HCH_al, no=355, id=2227, vol=9.000000e+06
assign (resid 105 and name HA) (resid 108 and name HB1) 2.946 1.085 2.585 weight 1.000 ! spec=HCH_al, no=358, id=2229, vol=3.620000e+06
assign (resid 15 and name HA) (resid 17 and name HG22) 3.304 1.364 2.864 weight 1.000 ! spec=HCH_al, no=361, id=2232, vol=1.820000e+06
or (resid 15 and name HA) (resid 17 and name HG21)
or (resid 15 and name HA) (resid 17 and name HG23)
or (resid 15 and name HA) (resid 17 and name HG12)
or (resid 15 and name HA) (resid 17 and name HG11)
or (resid 15 and name HA) (resid 17 and name HG13)
assign (resid 15 and name HN) (resid 15 and name HB2) 1.877 0.440 1.94 weight 1.000 ! spec=HCH_al, no=363, id=2234, vol=5.410000e+07
or (resid 15 and name HN) (resid 15 and name HB1)
or (resid 15 and name HN) (resid 15 and name HB3)
assign (resid 18 and name HN) (resid 15 and name HB2) 2.297 0.660 2.16 weight 1.000 ! spec=HCH_al, no=365, id=2236, vol=1.610000e+07
or (resid 18 and name HN) (resid 15 and name HB1)
or (resid 18 and name HN) (resid 15 and name HB3)
assign (resid 17 and name HN) (resid 16 and name HA) 3.064 1.174 2.674 weight 1.000 ! spec=HCH_al, no=368, id=2238, vol=2.860000e+06
assign (resid 20 and name HN) (resid 16 and name HA) 3.187 1.269 2.769 weight 1.000 ! spec=HCH_al, no=369, id=2239, vol=2.260000e+06
assign (resid 16 and name HN) (resid 16 and name HA) 2.657 0.882 2.382 weight 1.000 ! spec=HCH_al, no=370, id=2240, vol=6.730000e+06
assign (resid 19 and name HN) (resid 16 and name HA) 3.020 1.140 2.64 weight 1.000 ! spec=HCH_al, no=371, id=2241, vol=3.120000e+06
assign (resid 18 and name HN) (resid 16 and name HA) 3.062 1.172 2.672 weight 1.000 ! spec=HCH_al, no=372, id=2242, vol=2.870000e+06
assign (resid 16 and name HA) (resid 19 and name HB) 2.754 0.948 2.448 weight 1.000 ! spec=HCH_al, no=374, id=2243, vol=5.420000e+06
assign (resid 16 and name HA) (resid 19 and name HG12) 2.840 1.008 2.508 weight 1.000 ! spec=HCH_al, no=375, id=2244, vol=4.510000e+06
assign (resid 16 and name HA) (resid 16 and name HB2) 2.832 1.002 2.502 weight 1.000 ! spec=HCH_al, no=377, id=2246, vol=4.590000e+06
assign (resid 16 and name HA) (resid 17 and name HG22) 3.427 1.468 2.968 weight 1.000 ! spec=HCH_al, no=378, id=2247, vol=1.460000e+06
or (resid 16 and name HA) (resid 17 and name HG21)
or (resid 16 and name HA) (resid 17 and name HG23)
or (resid 16 and name HA) (resid 17 and name HG12)
or (resid 16 and name HA) (resid 17 and name HG11)
or (resid 16 and name HA) (resid 17 and name HG13)
assign (resid 16 and name HA) (resid 16 and name HB1) 2.574 0.828 2.328 weight 1.000 ! spec=HCH_al, no=381, id=2250, vol=8.140000e+06
assign (resid 16 and name HB2) (resid 16 and name HG) 2.756 0.950 2.45 weight 1.000 ! spec=HCH_al, no=385, id=2254, vol=5.400000e+06
assign (resid 16 and name HB2) (resid 17 and name HG22) 3.577 1.599 3.099 weight 1.000 ! spec=HCH_al, no=386, id=2255, vol=1.130000e+06
or (resid 16 and name HB2) (resid 17 and name HG21)
or (resid 16 and name HB2) (resid 17 and name HG23)
or (resid 16 and name HB2) (resid 17 and name HG12)
or (resid 16 and name HB2) (resid 17 and name HG11)
or (resid 16 and name HB2) (resid 17 and name HG13)
assign (resid 16 and name HB2) (resid 19 and name HD12) 3.424 1.465 2.965 weight 1.000 ! spec=HCH_al, no=387, id=2256, vol=1.470000e+06
or (resid 16 and name HB2) (resid 19 and name HD11)
or (resid 16 and name HB2) (resid 19 and name HD13)
assign (resid 16 and name HB2) (resid 16 and name HB1) 2.605 0.848 2.348 weight 1.000 ! spec=HCH_al, no=389, id=2258, vol=7.570000e+06
assign (resid 16 and name HN) (resid 16 and name HB1) 3.035 1.151 2.651 weight 1.000 ! spec=HCH_al, no=390, id=2259, vol=3.030000e+06
assign (resid 16 and name HB1) (resid 17 and name HG22) 3.726 1.735 3.235 weight 1.000 ! spec=HCH_al, no=396, id=2264, vol=8.850000e+05
or (resid 16 and name HB1) (resid 17 and name HG21)
or (resid 16 and name HB1) (resid 17 and name HG23)
or (resid 16 and name HB1) (resid 17 and name HG12)
or (resid 16 and name HB1) (resid 17 and name HG11)
or (resid 16 and name HB1) (resid 17 and name HG13)
assign (resid 16 and name HG) (resid 16 and name HA) 3.048 1.162 2.662 weight 1.000 ! spec=HCH_al, no=399, id=2267, vol=2.950000e+06
assign (resid 16 and name HB1) (resid 16 and name HG) 2.571 0.826 2.326 weight 1.000 ! spec=HCH_al, no=400, id=2268, vol=8.200000e+06
assign (resid 16 and name HD12) (resid 58 and name HE1) 2.816 0.991 2.491 weight 1.000 ! spec=HCH_al, no=402, id=2270, vol=4.750000e+06
or (resid 16 and name HD12) (resid 58 and name HE2)
or (resid 16 and name HD11) (resid 58 and name HE1)
or (resid 16 and name HD11) (resid 58 and name HE2)
or (resid 16 and name HD13) (resid 58 and name HE1)
or (resid 16 and name HD13) (resid 58 and name HE2)
assign (resid 16 and name HD12) (resid 54 and name HG1) 2.312 0.668 2.168 weight 1.000 ! spec=HCH_al, no=404, id=2272, vol=1.550000e+07
or (resid 16 and name HD11) (resid 54 and name HG1)
or (resid 16 and name HD13) (resid 54 and name HG1)
assign (resid 16 and name HD12) (resid 16 and name HG) 2.096 0.549 2.049 weight 1.000 ! spec=HCH_al, no=405, id=2273, vol=2.790000e+07
or (resid 16 and name HD11) (resid 16 and name HG)
or (resid 16 and name HD13) (resid 16 and name HG)
assign (resid 16 and name HB1) (resid 16 and name HD12) 2.072 0.537 2.037 weight 1.000 ! spec=HCH_al, no=406, id=2274, vol=2.990000e+07
or (resid 16 and name HB1) (resid 16 and name HD11)
or (resid 16 and name HB1) (resid 16 and name HD13)
assign (resid 15 and name HA) (resid 16 and name HD22) 2.654 0.881 2.381 weight 1.000 ! spec=HCH_al, no=407, id=2275, vol=6.770000e+06
or (resid 15 and name HA) (resid 16 and name HD21)
or (resid 15 and name HA) (resid 16 and name HD23)
assign (resid 16 and name HD22) (resid 54 and name HD1) 2.954 1.091 2.591 weight 1.000 ! spec=HCH_al, no=408, id=2276, vol=3.560000e+06
or (resid 16 and name HD21) (resid 54 and name HD1)
or (resid 16 and name HD23) (resid 54 and name HD1)
assign (resid 16 and name HD22) (resid 17 and name HB) 3.117 1.215 2.715 weight 1.000 ! spec=HCH_al, no=409, id=2277, vol=2.580000e+06
or (resid 16 and name HD21) (resid 17 and name HB)
or (resid 16 and name HD23) (resid 17 and name HB)
assign (resid 16 and name HD22) (resid 17 and name HG22) 2.648 0.877 2.377 weight 1.000 ! spec=HCH_al, no=411, id=2279, vol=6.860000e+06
or (resid 16 and name HD22) (resid 17 and name HG21)
or (resid 16 and name HD22) (resid 17 and name HG23)
or (resid 16 and name HD22) (resid 17 and name HG12)
or (resid 16 and name HD22) (resid 17 and name HG11)
or (resid 16 and name HD22) (resid 17 and name HG13)
or (resid 16 and name HD21) (resid 17 and name HG22)
or (resid 16 and name HD21) (resid 17 and name HG21)
or (resid 16 and name HD21) (resid 17 and name HG23)
or (resid 16 and name HD21) (resid 17 and name HG12)
or (resid 16 and name HD21) (resid 17 and name HG11)
or (resid 16 and name HD21) (resid 17 and name HG13)
or (resid 16 and name HD23) (resid 17 and name HG22)
or (resid 16 and name HD23) (resid 17 and name HG21)
or (resid 16 and name HD23) (resid 17 and name HG23)
or (resid 16 and name HD23) (resid 17 and name HG12)
or (resid 16 and name HD23) (resid 17 and name HG11)
or (resid 16 and name HD23) (resid 17 and name HG13)
assign (resid 17 and name HN) (resid 17 and name HA) 2.842 1.010 2.51 weight 1.000 ! spec=HCH_al, no=412, id=2280, vol=4.490000e+06
assign (resid 17 and name HA) (resid 21 and name HN) 3.362 1.413 2.913 weight 1.000 ! spec=HCH_al, no=413, id=2281, vol=1.640000e+06
assign (resid 17 and name HA) (resid 68 and name HZ) 3.541 1.568 3.068 weight 1.000 ! spec=HCH_al, no=414, id=2282, vol=1.200000e+06
assign (resid 17 and name HA) (resid 58 and name HE1) 2.463 0.758 2.258 weight 1.000 ! spec=HCH_al, no=416, id=2284, vol=1.060000e+07
or (resid 17 and name HA) (resid 58 and name HE2)
assign (resid 17 and name HA) (resid 17 and name HB) 2.561 0.820 2.32 weight 1.000 ! spec=HCH_al, no=419, id=2286, vol=8.380000e+06
assign (resid 17 and name HA) (resid 17 and name HG22) 2.243 0.629 2.129 weight 1.000 ! spec=HCH_al, no=421, id=2288, vol=1.860000e+07
or (resid 17 and name HA) (resid 17 and name HG21)
or (resid 17 and name HA) (resid 17 and name HG23)
or (resid 17 and name HA) (resid 17 and name HG12)
or (resid 17 and name HA) (resid 17 and name HG11)
or (resid 17 and name HA) (resid 17 and name HG13)
assign (resid 17 and name HA) (resid 19 and name HG22) 3.250 1.320 2.82 weight 1.000 ! spec=HCH_al, no=422, id=2289, vol=2.010000e+06
or (resid 17 and name HA) (resid 19 and name HG21)
or (resid 17 and name HA) (resid 19 and name HG23)
assign (resid 17 and name HB) (resid 58 and name HE1) 3.155 1.244 2.744 weight 1.000 ! spec=HCH_al, no=428, id=2295, vol=2.400000e+06
or (resid 17 and name HB) (resid 58 and name HE2)
assign (resid 17 and name HB) (resid 61 and name HB2) 3.140 1.232 2.732 weight 1.000 ! spec=HCH_al, no=430, id=2297, vol=2.470000e+06
assign (resid 17 and name HB) (resid 17 and name HG22) 2.105 0.554 2.054 weight 1.000 ! spec=HCH_al, no=432, id=2298, vol=2.720000e+07
or (resid 17 and name HB) (resid 17 and name HG21)
or (resid 17 and name HB) (resid 17 and name HG23)
or (resid 17 and name HB) (resid 17 and name HG12)
or (resid 17 and name HB) (resid 17 and name HG11)
or (resid 17 and name HB) (resid 17 and name HG13)
assign (resid 19 and name HN) (resid 18 and name HA) 3.269 1.336 2.836 weight 1.000 ! spec=HCH_al, no=433, id=2299, vol=1.940000e+06
assign (resid 18 and name HN) (resid 18 and name HA) 2.872 1.031 2.531 weight 1.000 ! spec=HCH_al, no=434, id=2300, vol=4.220000e+06
assign (resid 18 and name HA) (resid 18 and name HB2) 2.733 0.934 2.434 weight 1.000 ! spec=HCH_al, no=435, id=2301, vol=5.680000e+06
assign (resid 18 and name HB1) (resid 18 and name HA) 2.516 0.791 2.291 weight 1.000 ! spec=HCH_al, no=436, id=2302, vol=9.340000e+06
assign (resid 58 and name HN) (resid 57 and name HB2) 2.877 1.035 2.535 weight 1.000 ! spec=HCH_al, no=437, id=2303, vol=4.170000e+06
assign (resid 57 and name HN) (resid 57 and name HB2) 2.393 0.716 2.216 weight 1.000 ! spec=HCH_al, no=438, id=2304, vol=1.260000e+07
assign (resid 19 and name HN) (resid 18 and name HB2) 3.177 1.262 2.762 weight 1.000 ! spec=HCH_al, no=439, id=2305, vol=2.300000e+06
assign (resid 18 and name HN) (resid 18 and name HB2) 2.743 0.940 2.44 weight 1.000 ! spec=HCH_al, no=440, id=2306, vol=5.560000e+06
assign (resid 57 and name HB2) (resid 54 and name HA) 2.772 0.960 2.46 weight 1.000 ! spec=HCH_al, no=441, id=2307, vol=5.220000e+06
assign (resid 57 and name HN) (resid 57 and name HB1) 2.479 0.768 2.268 weight 1.000 ! spec=HCH_al, no=443, id=2309, vol=1.020000e+07
assign (resid 18 and name HN) (resid 18 and name HB1) 2.766 0.956 2.456 weight 1.000 ! spec=HCH_al, no=444, id=2310, vol=5.290000e+06
assign (resid 19 and name HN) (resid 18 and name HG2) 3.266 1.333 2.833 weight 1.000 ! spec=HCH_al, no=447, id=2313, vol=1.950000e+06
assign (resid 18 and name HN) (resid 18 and name HG2) 2.754 0.948 2.448 weight 1.000 ! spec=HCH_al, no=448, id=2314, vol=5.430000e+06
assign (resid 18 and name HG2) (resid 18 and name HA) 2.941 1.081 2.581 weight 1.000 ! spec=HCH_al, no=449, id=2315, vol=3.660000e+06
assign (resid 18 and name HG2) (resid 17 and name HG22) 2.876 1.034 2.534 weight 1.000 ! spec=HCH_al, no=451, id=2317, vol=4.180000e+06
or (resid 18 and name HG2) (resid 17 and name HG21)
or (resid 18 and name HG2) (resid 17 and name HG23)
or (resid 18 and name HG2) (resid 17 and name HG12)
or (resid 18 and name HG2) (resid 17 and name HG11)
or (resid 18 and name HG2) (resid 17 and name HG13)
assign (resid 20 and name HN) (resid 19 and name HA) 3.177 1.262 2.762 weight 1.000 ! spec=HCH_al, no=452, id=2318, vol=2.300000e+06
assign (resid 19 and name HA) (resid 22 and name HN) 2.998 1.123 2.623 weight 1.000 ! spec=HCH_al, no=454, id=2320, vol=3.260000e+06
assign (resid 19 and name HN) (resid 19 and name HA) 2.744 0.941 2.441 weight 1.000 ! spec=HCH_al, no=455, id=2321, vol=5.550000e+06
assign (resid 18 and name HN) (resid 19 and name HA) 3.405 1.449 2.949 weight 1.000 ! spec=HCH_al, no=456, id=2322, vol=1.520000e+06
assign (resid 19 and name HA) (resid 22 and name HA) 3.654 1.669 3.169 weight 1.000 ! spec=HCH_al, no=457, id=2323, vol=9.940000e+05
assign (resid 19 and name HA) (resid 22 and name HG1) 3.033 1.150 2.65 weight 1.000 ! spec=HCH_al, no=460, id=2325, vol=3.040000e+06
assign (resid 19 and name HA) (resid 19 and name HB) 2.823 0.996 2.496 weight 1.000 ! spec=HCH_al, no=461, id=2326, vol=4.680000e+06
assign (resid 19 and name HA) (resid 19 and name HG12) 2.772 0.960 2.46 weight 1.000 ! spec=HCH_al, no=462, id=2327, vol=5.220000e+06
assign (resid 19 and name HN) (resid 19 and name HB) 2.822 0.995 2.495 weight 1.000 ! spec=HCH_al, no=467, id=2332, vol=4.690000e+06
assign (resid 19 and name HB) (resid 40 and name HD12) 3.075 1.182 2.682 weight 1.000 ! spec=HCH_al, no=472, id=2336, vol=2.800000e+06
or (resid 19 and name HB) (resid 40 and name HD11)
or (resid 19 and name HB) (resid 40 and name HD13)
assign (resid 19 and name HG22) (resid 58 and name HE1) 3.490 1.522 3.022 weight 1.000 ! spec=HCH_al, no=474, id=2338, vol=1.310000e+06
or (resid 19 and name HG22) (resid 58 and name HE2)
or (resid 19 and name HG21) (resid 58 and name HE1)
or (resid 19 and name HG21) (resid 58 and name HE2)
or (resid 19 and name HG23) (resid 58 and name HE1)
or (resid 19 and name HG23) (resid 58 and name HE2)
assign (resid 19 and name HG22) (resid 16 and name HA) 2.741 0.939 2.439 weight 1.000 ! spec=HCH_al, no=478, id=2342, vol=5.580000e+06
or (resid 19 and name HG21) (resid 16 and name HA)
or (resid 19 and name HG23) (resid 16 and name HA)
assign (resid 19 and name HA) (resid 19 and name HG22) 2.135 0.570 2.07 weight 1.000 ! spec=HCH_al, no=479, id=2343, vol=2.500000e+07
or (resid 19 and name HA) (resid 19 and name HG21)
or (resid 19 and name HA) (resid 19 and name HG23)
assign (resid 19 and name HG22) (resid 22 and name HB2) 2.763 0.954 2.454 weight 1.000 ! spec=HCH_al, no=482, id=2346, vol=5.320000e+06
or (resid 19 and name HG22) (resid 22 and name HB1)
or (resid 19 and name HG21) (resid 22 and name HB2)
or (resid 19 and name HG21) (resid 22 and name HB1)
or (resid 19 and name HG23) (resid 22 and name HB2)
or (resid 19 and name HG23) (resid 22 and name HB1)
assign (resid 19 and name HB) (resid 19 and name HG22) 2.023 0.512 2.012 weight 1.000 ! spec=HCH_al, no=484, id=2348, vol=3.450000e+07
or (resid 19 and name HB) (resid 19 and name HG21)
or (resid 19 and name HB) (resid 19 and name HG23)
assign (resid 19 and name HG22) (resid 3 and name HG12) 2.393 0.716 2.216 weight 1.000 ! spec=HCH_al, no=486, id=2350, vol=1.260000e+07
or (resid 19 and name HG21) (resid 3 and name HG12)
or (resid 19 and name HG23) (resid 3 and name HG12)
assign (resid 19 and name HN) (resid 19 and name HG11) 2.938 1.079 2.579 weight 1.000 ! spec=HCH_al, no=488, id=2352, vol=3.680000e+06
assign (resid 19 and name HG11) (resid 19 and name HA) 2.943 1.083 2.583 weight 1.000 ! spec=HCH_al, no=489, id=2353, vol=3.640000e+06
assign (resid 19 and name HG11) (resid 19 and name HB) 3.180 1.264 2.764 weight 1.000 ! spec=HCH_al, no=490, id=2354, vol=2.290000e+06
assign (resid 19 and name HG12) (resid 19 and name HG11) 2.578 0.831 2.331 weight 1.000 ! spec=HCH_al, no=491, id=2355, vol=8.070000e+06
assign (resid 24 and name HN) (resid 20 and name HA) 3.266 1.333 2.833 weight 1.000 ! spec=HCH_al, no=493, id=2356, vol=1.950000e+06
assign (resid 20 and name HN) (resid 20 and name HA) 2.600 0.845 2.345 weight 1.000 ! spec=HCH_al, no=494, id=2357, vol=7.660000e+06
assign (resid 20 and name HA) (resid 58 and name HE1) 3.490 1.522 3.022 weight 1.000 ! spec=HCH_al, no=496, id=2359, vol=1.310000e+06
or (resid 20 and name HA) (resid 58 and name HE2)
assign (resid 20 and name HA) (resid 23 and name HB2) 2.771 0.960 2.46 weight 1.000 ! spec=HCH_al, no=498, id=2360, vol=5.230000e+06
assign (resid 20 and name HA) (resid 23 and name HG) 2.916 1.063 2.563 weight 1.000 ! spec=HCH_al, no=499, id=2361, vol=3.850000e+06
assign (resid 20 and name HN) (resid 20 and name HB2) 2.089 0.545 2.045 weight 1.000 ! spec=HCH_al, no=504, id=2366, vol=2.850000e+07
or (resid 20 and name HN) (resid 20 and name HB1)
or (resid 20 and name HN) (resid 20 and name HB3)
assign (resid 21 and name HN) (resid 20 and name HB2) 2.181 0.595 2.095 weight 1.000 ! spec=HCH_al, no=505, id=2367, vol=2.200000e+07
or (resid 21 and name HN) (resid 20 and name HB1)
or (resid 21 and name HN) (resid 20 and name HB3)
assign (resid 20 and name HB2) (resid 68 and name HZ) 2.396 0.718 2.218 weight 1.000 ! spec=HCH_al, no=506, id=2368, vol=1.250000e+07
or (resid 20 and name HB1) (resid 68 and name HZ)
or (resid 20 and name HB3) (resid 68 and name HZ)
assign (resid 20 and name HB2) (resid 68 and name HE1) 2.409 0.726 2.226 weight 1.000 ! spec=HCH_al, no=508, id=2370, vol=1.210000e+07
or (resid 20 and name HB2) (resid 68 and name HE2)
or (resid 20 and name HB1) (resid 68 and name HE1)
or (resid 20 and name HB1) (resid 68 and name HE2)
or (resid 20 and name HB3) (resid 68 and name HE1)
or (resid 20 and name HB3) (resid 68 and name HE2)
assign (resid 20 and name HB2) (resid 58 and name HE1) 2.121 0.562 2.062 weight 1.000 ! spec=HCH_al, no=509, id=2371, vol=2.600000e+07
or (resid 20 and name HB2) (resid 58 and name HE2)
or (resid 20 and name HB1) (resid 58 and name HE1)
or (resid 20 and name HB1) (resid 58 and name HE2)
or (resid 20 and name HB3) (resid 58 and name HE1)
or (resid 20 and name HB3) (resid 58 and name HE2)
assign (resid 17 and name HA) (resid 20 and name HB2) 2.312 0.668 2.168 weight 1.000 ! spec=HCH_al, no=510, id=2372, vol=1.550000e+07
or (resid 17 and name HA) (resid 20 and name HB1)
or (resid 17 and name HA) (resid 20 and name HB3)
assign (resid 20 and name HA) (resid 20 and name HB2) 2.078 0.540 2.04 weight 1.000 ! spec=HCH_al, no=511, id=2373, vol=2.940000e+07
or (resid 20 and name HA) (resid 20 and name HB1)
or (resid 20 and name HA) (resid 20 and name HB3)
assign (resid 20 and name HB2) (resid 17 and name HG22) 2.390 0.714 2.214 weight 1.000 ! spec=HCH_al, no=513, id=2375, vol=1.270000e+07
or (resid 20 and name HB2) (resid 17 and name HG21)
or (resid 20 and name HB2) (resid 17 and name HG23)
or (resid 20 and name HB2) (resid 17 and name HG12)
or (resid 20 and name HB2) (resid 17 and name HG11)
or (resid 20 and name HB2) (resid 17 and name HG13)
or (resid 20 and name HB1) (resid 17 and name HG22)
or (resid 20 and name HB1) (resid 17 and name HG21)
or (resid 20 and name HB1) (resid 17 and name HG23)
or (resid 20 and name HB1) (resid 17 and name HG12)
or (resid 20 and name HB1) (resid 17 and name HG11)
or (resid 20 and name HB1) (resid 17 and name HG13)
or (resid 20 and name HB3) (resid 17 and name HG22)
or (resid 20 and name HB3) (resid 17 and name HG21)
or (resid 20 and name HB3) (resid 17 and name HG23)
or (resid 20 and name HB3) (resid 17 and name HG12)
or (resid 20 and name HB3) (resid 17 and name HG11)
or (resid 20 and name HB3) (resid 17 and name HG13)
assign (resid 20 and name HB2) (resid 23 and name HD22) 1.982 0.491 1.991 weight 1.000 ! spec=HCH_al, no=514, id=2376, vol=3.900000e+07
or (resid 20 and name HB2) (resid 23 and name HD21)
or (resid 20 and name HB2) (resid 23 and name HD23)
or (resid 20 and name HB1) (resid 23 and name HD22)
or (resid 20 and name HB1) (resid 23 and name HD21)
or (resid 20 and name HB1) (resid 23 and name HD23)
or (resid 20 and name HB3) (resid 23 and name HD22)
or (resid 20 and name HB3) (resid 23 and name HD21)
or (resid 20 and name HB3) (resid 23 and name HD23)
assign (resid 24 and name HN) (resid 21 and name HA) 3.362 1.413 2.913 weight 1.000 ! spec=HCH_al, no=517, id=2379, vol=1.640000e+06
assign (resid 21 and name HA) (resid 24 and name HD1) 2.789 0.972 2.472 weight 1.000 ! spec=HCH_al, no=518, id=2380, vol=5.030000e+06
or (resid 21 and name HA) (resid 24 and name HD2)
assign (resid 21 and name HA) (resid 21 and name HD2) 2.943 1.083 2.583 weight 1.000 ! spec=HCH_al, no=520, id=2382, vol=3.640000e+06
assign (resid 21 and name HA) (resid 21 and name HB1) 2.839 1.008 2.508 weight 1.000 ! spec=HCH_al, no=521, id=2383, vol=4.520000e+06
assign (resid 21 and name HA) (resid 17 and name HG22) 3.393 1.439 2.939 weight 1.000 ! spec=HCH_al, no=522, id=2384, vol=1.550000e+06
or (resid 21 and name HA) (resid 17 and name HG21)
or (resid 21 and name HA) (resid 17 and name HG23)
or (resid 21 and name HA) (resid 17 and name HG12)
or (resid 21 and name HA) (resid 17 and name HG11)
or (resid 21 and name HA) (resid 17 and name HG13)
assign (resid 21 and name HA) (resid 78 and name HD12) 3.292 1.355 2.855 weight 1.000 ! spec=HCH_al, no=523, id=2385, vol=1.860000e+06
or (resid 21 and name HA) (resid 78 and name HD11)
or (resid 21 and name HA) (resid 78 and name HD13)
assign (resid 21 and name HN) (resid 21 and name HB2) 2.764 0.955 2.455 weight 1.000 ! spec=HCH_al, no=525, id=2387, vol=5.310000e+06
assign (resid 21 and name HB2) (resid 18 and name HA) 3.310 1.369 2.869 weight 1.000 ! spec=HCH_al, no=528, id=2390, vol=1.800000e+06
assign (resid 21 and name HB1) (resid 21 and name HD2) 3.376 1.424 2.924 weight 1.000 ! spec=HCH_al, no=532, id=2394, vol=1.600000e+06
assign (resid 21 and name HB1) (resid 18 and name HA) 3.168 1.255 2.755 weight 1.000 ! spec=HCH_al, no=533, id=2395, vol=2.340000e+06
assign (resid 22 and name HN) (resid 22 and name HA) 2.650 0.878 2.378 weight 1.000 ! spec=HCH_al, no=536, id=2398, vol=6.840000e+06
assign (resid 22 and name HA) (resid 22 and name HG2) 2.614 0.854 2.354 weight 1.000 ! spec=HCH_al, no=537, id=2399, vol=7.420000e+06
assign (resid 22 and name HA) (resid 22 and name HB2) 2.157 0.582 2.082 weight 1.000 ! spec=HCH_al, no=538, id=2400, vol=2.350000e+07
or (resid 22 and name HA) (resid 22 and name HB1)
assign (resid 22 and name HN) (resid 22 and name HB2) 2.564 0.821 2.321 weight 1.000 ! spec=HCH_al, no=539, id=2401, vol=8.340000e+06
or (resid 22 and name HN) (resid 22 and name HB1)
assign (resid 22 and name HB2) (resid 19 and name HA) 3.117 1.215 2.715 weight 1.000 ! spec=HCH_al, no=542, id=2404, vol=2.580000e+06
or (resid 22 and name HB1) (resid 19 and name HA)
assign (resid 23 and name HN) (resid 22 and name HG2) 2.987 1.116 2.616 weight 1.000 ! spec=HCH_al, no=544, id=2406, vol=3.330000e+06
assign (resid 22 and name HN) (resid 22 and name HG2) 2.499 0.781 2.281 weight 1.000 ! spec=HCH_al, no=545, id=2407, vol=9.720000e+06
assign (resid 22 and name HG2) (resid 19 and name HA) 3.166 1.253 2.753 weight 1.000 ! spec=HCH_al, no=548, id=2410, vol=2.350000e+06
assign (resid 23 and name HA) (resid 23 and name HB1) 2.612 0.853 2.353 weight 1.000 ! spec=HCH_al, no=553, id=2415, vol=7.450000e+06
assign (resid 23 and name HN) (resid 23 and name HD12) 2.346 0.688 2.188 weight 1.000 ! spec=HCH_al, no=554, id=2416, vol=1.420000e+07
or (resid 23 and name HN) (resid 23 and name HD11)
or (resid 23 and name HN) (resid 23 and name HD13)
assign (resid 24 and name HN) (resid 23 and name HD22) 2.996 1.122 2.622 weight 1.000 ! spec=HCH_al, no=555, id=2417, vol=3.270000e+06
or (resid 24 and name HN) (resid 23 and name HD21)
or (resid 24 and name HN) (resid 23 and name HD23)
assign (resid 23 and name HD22) (resid 39 and name HG2) 3.258 1.327 2.827 weight 1.000 ! spec=HCH_al, no=557, id=2419, vol=1.980000e+06
or (resid 23 and name HD21) (resid 39 and name HG2)
or (resid 23 and name HD23) (resid 39 and name HG2)
assign (resid 25 and name HN) (resid 24 and name HB2) 3.316 1.375 2.875 weight 1.000 ! spec=HCH_al, no=559, id=2421, vol=1.780000e+06
assign (resid 24 and name HB2) (resid 21 and name HA) 3.390 1.436 2.936 weight 1.000 ! spec=HCH_al, no=561, id=2423, vol=1.560000e+06
assign (resid 24 and name HB2) (resid 24 and name HB1) 2.437 0.742 2.242 weight 1.000 ! spec=HCH_al, no=563, id=2424, vol=1.130000e+07
assign (resid 24 and name HB2) (resid 78 and name HB2) 3.760 1.768 3.268 weight 1.000 ! spec=HCH_al, no=564, id=2425, vol=8.370000e+05
assign (resid 24 and name HB2) (resid 78 and name HG) 3.231 1.305 2.805 weight 1.000 ! spec=HCH_al, no=566, id=2427, vol=2.080000e+06
assign (resid 24 and name HB1) (resid 24 and name HA) 3.142 1.234 2.734 weight 1.000 ! spec=HCH_al, no=572, id=2433, vol=2.460000e+06
assign (resid 24 and name HB1) (resid 78 and name HG) 3.431 1.472 2.972 weight 1.000 ! spec=HCH_al, no=574, id=2435, vol=1.450000e+06
assign (resid 25 and name HN) (resid 25 and name HA) 2.579 0.832 2.332 weight 1.000 ! spec=HCH_al, no=576, id=2437, vol=8.040000e+06
assign (resid 26 and name HN) (resid 25 and name HA) 3.031 1.149 2.649 weight 1.000 ! spec=HCH_al, no=577, id=2438, vol=3.050000e+06
assign (resid 25 and name HA) (resid 25 and name HB2) 2.131 0.567 2.067 weight 1.000 ! spec=HCH_al, no=581, id=2441, vol=2.530000e+07
or (resid 25 and name HA) (resid 25 and name HB1)
assign (resid 25 and name HA) (resid 28 and name HG2) 3.393 1.439 2.939 weight 1.000 ! spec=HCH_al, no=582, id=2442, vol=1.550000e+06
or (resid 25 and name HA) (resid 28 and name HG1)
assign (resid 25 and name HA) (resid 78 and name HD12) 2.934 1.076 2.576 weight 1.000 ! spec=HCH_al, no=583, id=2443, vol=3.710000e+06
or (resid 25 and name HA) (resid 78 and name HD11)
or (resid 25 and name HA) (resid 78 and name HD13)
assign (resid 35 and name HN) (resid 35 and name HB2) 2.409 0.726 2.226 weight 1.000 ! spec=HCH_al, no=584, id=2444, vol=1.210000e+07
or (resid 35 and name HN) (resid 35 and name HB1)
assign (resid 25 and name HA) (resid 25 and name HG2) 2.532 0.801 2.301 weight 1.000 ! spec=HCH_al, no=587, id=2447, vol=8.990000e+06
or (resid 25 and name HA) (resid 25 and name HG1)
assign (resid 27 and name HN) (resid 26 and name HA) 2.728 0.930 2.43 weight 1.000 ! spec=HCH_al, no=589, id=2449, vol=5.740000e+06
assign (resid 26 and name HA) (resid 26 and name HB1) 2.351 0.691 2.191 weight 1.000 ! spec=HCH_al, no=590, id=2450, vol=1.400000e+07
assign (resid 27 and name HN) (resid 26 and name HB2) 2.596 0.842 2.342 weight 1.000 ! spec=HCH_al, no=593, id=2453, vol=7.740000e+06
assign (resid 26 and name HN) (resid 26 and name HB1) 2.423 0.734 2.234 weight 1.000 ! spec=HCH_al, no=594, id=2454, vol=1.170000e+07
assign (resid 27 and name HN) (resid 27 and name HB2) 2.760 0.952 2.452 weight 1.000 ! spec=HCH_al, no=596, id=2456, vol=5.360000e+06
assign (resid 29 and name HN) (resid 27 and name HB2) 3.038 1.154 2.654 weight 1.000 ! spec=HCH_al, no=597, id=2457, vol=3.010000e+06
assign (resid 27 and name HB2) (resid 24 and name HA) 3.358 1.410 2.91 weight 1.000 ! spec=HCH_al, no=599, id=2459, vol=1.650000e+06
assign (resid 27 and name HB2) (resid 31 and name HG22) 3.556 1.581 3.081 weight 1.000 ! spec=HCH_al, no=602, id=2461, vol=1.170000e+06
or (resid 27 and name HB2) (resid 31 and name HG21)
or (resid 27 and name HB2) (resid 31 and name HG23)
assign (resid 28 and name HN) (resid 27 and name HB1) 3.277 1.343 2.843 weight 1.000 ! spec=HCH_al, no=603, id=2462, vol=1.910000e+06
assign (resid 27 and name HN) (resid 27 and name HB1) 2.809 0.986 2.486 weight 1.000 ! spec=HCH_al, no=604, id=2463, vol=4.820000e+06
assign (resid 27 and name HB1) (resid 24 and name HA) 3.683 1.695 3.195 weight 1.000 ! spec=HCH_al, no=605, id=2464, vol=9.490000e+05
assign (resid 27 and name HB1) (resid 27 and name HA) 2.707 0.916 2.416 weight 1.000 ! spec=HCH_al, no=606, id=2465, vol=6.020000e+06
assign (resid 27 and name HB1) (resid 29 and name HB1) 3.338 1.393 2.893 weight 1.000 ! spec=HCH_al, no=607, id=2466, vol=1.710000e+06
assign (resid 27 and name HB1) (resid 31 and name HG22) 3.711 1.722 3.222 weight 1.000 ! spec=HCH_al, no=609, id=2468, vol=9.060000e+05
or (resid 27 and name HB1) (resid 31 and name HG21)
or (resid 27 and name HB1) (resid 31 and name HG23)
assign (resid 28 and name HA) (resid 81 and name HE1) 3.527 1.555 3.055 weight 1.000 ! spec=HCH_al, no=610, id=2469, vol=1.230000e+06
assign (resid 28 and name HA) (resid 28 and name HN) 2.467 0.761 2.261 weight 1.000 ! spec=HCH_al, no=611, id=2470, vol=1.050000e+07
assign (resid 27 and name HN) (resid 28 and name HA) 3.092 1.195 2.695 weight 1.000 ! spec=HCH_al, no=612, id=2471, vol=2.710000e+06
assign (resid 28 and name HA) (resid 29 and name HN) 2.706 0.915 2.415 weight 1.000 ! spec=HCH_al, no=613, id=2472, vol=6.030000e+06
assign (resid 28 and name HA) (resid 81 and name HH2) 3.275 1.340 2.84 weight 1.000 ! spec=HCH_al, no=614, id=2473, vol=1.920000e+06
assign (resid 28 and name HA) (resid 27 and name HB1) 3.577 1.599 3.099 weight 1.000 ! spec=HCH_al, no=615, id=2474, vol=1.130000e+06
assign (resid 28 and name HA) (resid 28 and name HB2) 2.736 0.936 2.436 weight 1.000 ! spec=HCH_al, no=616, id=2475, vol=5.640000e+06
assign (resid 28 and name HA) (resid 28 and name HB1) 2.714 0.921 2.421 weight 1.000 ! spec=HCH_al, no=617, id=2476, vol=5.920000e+06
assign (resid 28 and name HA) (resid 28 and name HG2) 2.610 0.852 2.352 weight 1.000 ! spec=HCH_al, no=618, id=2477, vol=7.480000e+06
or (resid 28 and name HA) (resid 28 and name HG1)
assign (resid 28 and name HB2) (resid 28 and name HN) 3.231 1.305 2.805 weight 1.000 ! spec=HCH_al, no=619, id=2478, vol=2.080000e+06
assign (resid 40 and name HG12) (resid 20 and name HA) 2.727 0.930 2.43 weight 1.000 ! spec=HCH_al, no=621, id=2480, vol=5.750000e+06
assign (resid 28 and name HB1) (resid 28 and name HB2) 2.165 0.586 2.086 weight 1.000 ! spec=HCH_al, no=624, id=2483, vol=2.300000e+07
assign (resid 28 and name HB1) (resid 28 and name HG2) 2.570 0.825 2.325 weight 1.000 ! spec=HCH_al, no=625, id=2484, vol=8.220000e+06
or (resid 28 and name HB1) (resid 28 and name HG1)
assign (resid 28 and name HG2) (resid 81 and name HE1) 3.295 1.357 2.857 weight 1.000 ! spec=HCH_al, no=626, id=2485, vol=1.850000e+06
or (resid 28 and name HG1) (resid 81 and name HE1)
assign (resid 28 and name HN) (resid 28 and name HG2) 2.760 0.952 2.452 weight 1.000 ! spec=HCH_al, no=627, id=2486, vol=5.360000e+06
or (resid 28 and name HN) (resid 28 and name HG1)
assign (resid 27 and name HN) (resid 28 and name HG2) 3.451 1.489 2.989 weight 1.000 ! spec=HCH_al, no=628, id=2487, vol=1.400000e+06
or (resid 27 and name HN) (resid 28 and name HG1)
assign (resid 28 and name HB2) (resid 28 and name HG2) 2.406 0.724 2.224 weight 1.000 ! spec=HCH_al, no=633, id=2492, vol=1.220000e+07
or (resid 28 and name HB2) (resid 28 and name HG1)
assign (resid 28 and name HG2) (resid 28 and name HD2) 2.340 0.685 2.185 weight 1.000 ! spec=HCH_al, no=634, id=2493, vol=1.440000e+07
or (resid 28 and name HG1) (resid 28 and name HD2)
assign (resid 28 and name HD1) (resid 28 and name HN) 3.329 1.385 2.885 weight 1.000 ! spec=HCH_al, no=637, id=2495, vol=1.740000e+06
assign (resid 28 and name HG2) (resid 28 and name HD1) 2.088 0.545 2.045 weight 1.000 ! spec=HCH_al, no=639, id=2496, vol=2.860000e+07
or (resid 28 and name HG1) (resid 28 and name HD1)
assign (resid 29 and name HN) (resid 29 and name HB2) 2.986 1.114 2.614 weight 1.000 ! spec=HCH_al, no=642, id=2499, vol=3.340000e+06
assign (resid 29 and name HB2) (resid 30 and name HD2) 2.738 0.937 2.437 weight 1.000 ! spec=HCH_al, no=643, id=2500, vol=5.620000e+06
assign (resid 29 and name HB2) (resid 30 and name HD1) 2.594 0.841 2.341 weight 1.000 ! spec=HCH_al, no=644, id=2501, vol=7.760000e+06
assign (resid 29 and name HB2) (resid 29 and name HE2) 3.372 1.421 2.921 weight 1.000 ! spec=HCH_al, no=645, id=2502, vol=1.610000e+06
or (resid 29 and name HB2) (resid 29 and name HE1)
assign (resid 29 and name HA) (resid 29 and name HB1) 2.746 0.943 2.443 weight 1.000 ! spec=HCH_al, no=649, id=2506, vol=5.520000e+06
assign (resid 29 and name HB1) (resid 31 and name HG22) 3.556 1.581 3.081 weight 1.000 ! spec=HCH_al, no=651, id=2508, vol=1.170000e+06
or (resid 29 and name HB1) (resid 31 and name HG21)
or (resid 29 and name HB1) (resid 31 and name HG23)
assign (resid 29 and name HN) (resid 29 and name HG2) 2.874 1.032 2.532 weight 1.000 ! spec=HCH_al, no=652, id=2509, vol=4.200000e+06
or (resid 29 and name HN) (resid 29 and name HG1)
assign (resid 29 and name HG2) (resid 30 and name HD2) 3.035 1.151 2.651 weight 1.000 ! spec=HCH_al, no=653, id=2510, vol=3.030000e+06
or (resid 29 and name HG1) (resid 30 and name HD2)
assign (resid 29 and name HG2) (resid 30 and name HD1) 2.956 1.092 2.592 weight 1.000 ! spec=HCH_al, no=654, id=2511, vol=3.550000e+06
or (resid 29 and name HG1) (resid 30 and name HD1)
assign (resid 29 and name HG2) (resid 27 and name HB2) 3.541 1.568 3.068 weight 1.000 ! spec=HCH_al, no=655, id=2512, vol=1.200000e+06
or (resid 29 and name HG1) (resid 27 and name HB2)
assign (resid 27 and name HB1) (resid 29 and name HG2) 3.159 1.248 2.748 weight 1.000 ! spec=HCH_al, no=656, id=2513, vol=2.380000e+06
or (resid 27 and name HB1) (resid 29 and name HG1)
assign (resid 29 and name HG2) (resid 29 and name HE2) 2.416 0.730 2.23 weight 1.000 ! spec=HCH_al, no=657, id=2514, vol=1.190000e+07
or (resid 29 and name HG2) (resid 29 and name HE1)
or (resid 29 and name HG1) (resid 29 and name HE2)
or (resid 29 and name HG1) (resid 29 and name HE1)
assign (resid 29 and name HG2) (resid 29 and name HB2) 2.300 0.661 2.161 weight 1.000 ! spec=HCH_al, no=658, id=2515, vol=1.600000e+07
or (resid 29 and name HG1) (resid 29 and name HB2)
assign (resid 31 and name HN) (resid 30 and name HA) 2.351 0.691 2.191 weight 1.000 ! spec=HCH_al, no=663, id=2518, vol=1.400000e+07
assign (resid 76 and name HN) (resid 30 and name HA) 3.464 1.500 3 weight 1.000 ! spec=HCH_al, no=664, id=2519, vol=1.370000e+06
assign (resid 30 and name HA) (resid 81 and name HH2) 3.096 1.198 2.698 weight 1.000 ! spec=HCH_al, no=666, id=2521, vol=2.690000e+06
assign (resid 30 and name HA) (resid 81 and name HZ3) 2.976 1.107 2.607 weight 1.000 ! spec=HCH_al, no=667, id=2522, vol=3.410000e+06
assign (resid 30 and name HA) (resid 29 and name HA) 3.639 1.655 3.155 weight 1.000 ! spec=HCH_al, no=668, id=2523, vol=1.020000e+06
assign (resid 30 and name HA) (resid 30 and name HD2) 2.836 1.005 2.505 weight 1.000 ! spec=HCH_al, no=669, id=2524, vol=4.550000e+06
assign (resid 30 and name HA) (resid 77 and name HA2) 3.335 1.390 2.89 weight 1.000 ! spec=HCH_al, no=671, id=2526, vol=1.720000e+06
assign (resid 30 and name HA) (resid 30 and name HB2) 2.593 0.841 2.341 weight 1.000 ! spec=HCH_al, no=672, id=2527, vol=7.780000e+06
assign (resid 30 and name HA) (resid 30 and name HG1) 2.660 0.885 2.385 weight 1.000 ! spec=HCH_al, no=673, id=2528, vol=6.680000e+06
assign (resid 30 and name HA) (resid 30 and name HB1) 2.820 0.994 2.494 weight 1.000 ! spec=HCH_al, no=674, id=2529, vol=4.710000e+06
assign (resid 31 and name HN) (resid 30 and name HB2) 2.904 1.054 2.554 weight 1.000 ! spec=HCH_al, no=677, id=2532, vol=3.950000e+06
assign (resid 30 and name HB2) (resid 75 and name HB) 2.766 0.957 2.457 weight 1.000 ! spec=HCH_al, no=679, id=2534, vol=5.280000e+06
assign (resid 30 and name HB2) (resid 77 and name HA2) 3.593 1.614 3.114 weight 1.000 ! spec=HCH_al, no=680, id=2535, vol=1.100000e+06
assign (resid 31 and name HN) (resid 30 and name HB1) 3.015 1.136 2.636 weight 1.000 ! spec=HCH_al, no=683, id=2538, vol=3.150000e+06
assign (resid 30 and name HB1) (resid 81 and name HZ3) 3.456 1.493 2.993 weight 1.000 ! spec=HCH_al, no=684, id=2539, vol=1.390000e+06
assign (resid 30 and name HB1) (resid 31 and name HA) 3.757 1.765 3.265 weight 1.000 ! spec=HCH_al, no=686, id=2541, vol=8.410000e+05
assign (resid 30 and name HG1) (resid 81 and name HE3) 3.541 1.568 3.068 weight 1.000 ! spec=HCH_al, no=693, id=2548, vol=1.200000e+06
assign (resid 32 and name HG2) (resid 35 and name HN) 3.125 1.221 2.721 weight 1.000 ! spec=HCH_al, no=695, id=2550, vol=2.540000e+06
assign (resid 30 and name HG1) (resid 81 and name HZ3) 3.033 1.150 2.65 weight 1.000 ! spec=HCH_al, no=696, id=2551, vol=3.040000e+06
assign (resid 32 and name HG2) (resid 32 and name HA) 2.763 0.954 2.454 weight 1.000 ! spec=HCH_al, no=698, id=2553, vol=5.320000e+06
assign (resid 32 and name HG2) (resid 32 and name HB2) 2.558 0.818 2.318 weight 1.000 ! spec=HCH_al, no=701, id=2556, vol=8.450000e+06
assign (resid 30 and name HG2) (resid 71 and name HD22) 3.180 1.264 2.764 weight 1.000 ! spec=HCH_al, no=704, id=2559, vol=2.290000e+06
or (resid 30 and name HG2) (resid 71 and name HD21)
or (resid 30 and name HG2) (resid 71 and name HD23)
assign (resid 31 and name HN) (resid 30 and name HG1) 3.451 1.489 2.989 weight 1.000 ! spec=HCH_al, no=705, id=2560, vol=1.400000e+06
assign (resid 30 and name HG1) (resid 29 and name HA) 3.213 1.291 2.791 weight 1.000 ! spec=HCH_al, no=710, id=2565, vol=2.150000e+06
assign (resid 30 and name HG1) (resid 71 and name HD12) 2.554 0.816 2.316 weight 1.000 ! spec=HCH_al, no=711, id=2566, vol=8.520000e+06
or (resid 30 and name HG1) (resid 71 and name HD11)
or (resid 30 and name HG1) (resid 71 and name HD13)
assign (resid 30 and name HD2) (resid 29 and name HN) 3.272 1.338 2.838 weight 1.000 ! spec=HCH_al, no=713, id=2568, vol=1.930000e+06
assign (resid 30 and name HD2) (resid 81 and name HZ3) 3.376 1.424 2.924 weight 1.000 ! spec=HCH_al, no=714, id=2569, vol=1.600000e+06
assign (resid 30 and name HD2) (resid 29 and name HA) 2.563 0.821 2.321 weight 1.000 ! spec=HCH_al, no=716, id=2571, vol=8.350000e+06
assign (resid 30 and name HD2) (resid 30 and name HD1) 2.145 0.575 2.075 weight 1.000 ! spec=HCH_al, no=718, id=2572, vol=2.430000e+07
assign (resid 30 and name HG2) (resid 30 and name HD2) 2.562 0.821 2.321 weight 1.000 ! spec=HCH_al, no=719, id=2573, vol=8.360000e+06
assign (resid 30 and name HD2) (resid 29 and name HD2) 2.845 1.012 2.512 weight 1.000 ! spec=HCH_al, no=721, id=2575, vol=4.460000e+06
or (resid 30 and name HD2) (resid 29 and name HD1)
assign (resid 29 and name HN) (resid 30 and name HD1) 3.390 1.436 2.936 weight 1.000 ! spec=HCH_al, no=723, id=2577, vol=1.560000e+06
assign (resid 30 and name HD1) (resid 81 and name HZ3) 3.451 1.489 2.989 weight 1.000 ! spec=HCH_al, no=724, id=2578, vol=1.400000e+06
assign (resid 30 and name HD1) (resid 30 and name HG2) 2.539 0.806 2.306 weight 1.000 ! spec=HCH_al, no=726, id=2580, vol=8.840000e+06
assign (resid 30 and name HD1) (resid 29 and name HD2) 2.739 0.938 2.438 weight 1.000 ! spec=HCH_al, no=727, id=2581, vol=5.600000e+06
or (resid 30 and name HD1) (resid 29 and name HD1)
assign (resid 30 and name HD1) (resid 71 and name HD12) 3.593 1.614 3.114 weight 1.000 ! spec=HCH_al, no=729, id=2583, vol=1.100000e+06
or (resid 30 and name HD1) (resid 71 and name HD11)
or (resid 30 and name HD1) (resid 71 and name HD13)
assign (resid 31 and name HN) (resid 31 and name HA) 2.789 0.972 2.472 weight 1.000 ! spec=HCH_al, no=730, id=2584, vol=5.030000e+06
assign (resid 31 and name HA) (resid 32 and name HD2) 2.378 0.707 2.207 weight 1.000 ! spec=HCH_al, no=732, id=2585, vol=1.310000e+07
assign (resid 31 and name HA) (resid 32 and name HD1) 2.495 0.778 2.278 weight 1.000 ! spec=HCH_al, no=733, id=2586, vol=9.810000e+06
assign (resid 31 and name HA) (resid 31 and name HB) 2.406 0.724 2.224 weight 1.000 ! spec=HCH_al, no=734, id=2587, vol=1.220000e+07
assign (resid 31 and name HB) (resid 68 and name HZ) 4.440 2.464 3.964 weight 1.000 ! spec=HCH_al, no=738, id=2590, vol=3.090000e+05
assign (resid 33 and name HN) (resid 32 and name HA) 2.620 0.858 2.358 weight 1.000 ! spec=HCH_al, no=740, id=2592, vol=7.320000e+06
assign (resid 76 and name HN) (resid 32 and name HA) 2.950 1.088 2.588 weight 1.000 ! spec=HCH_al, no=741, id=2593, vol=3.590000e+06
assign (resid 32 and name HA) (resid 32 and name HB1) 2.648 0.876 2.376 weight 1.000 ! spec=HCH_al, no=748, id=2600, vol=6.870000e+06
assign (resid 33 and name HN) (resid 32 and name HB2) 2.993 1.120 2.62 weight 1.000 ! spec=HCH_al, no=750, id=2602, vol=3.290000e+06
assign (resid 34 and name HN) (resid 32 and name HB2) 3.196 1.277 2.777 weight 1.000 ! spec=HCH_al, no=751, id=2603, vol=2.220000e+06
assign (resid 35 and name HN) (resid 32 and name HB2) 2.896 1.049 2.549 weight 1.000 ! spec=HCH_al, no=752, id=2604, vol=4.010000e+06
assign (resid 32 and name HA) (resid 32 and name HB2) 2.611 0.852 2.352 weight 1.000 ! spec=HCH_al, no=753, id=2605, vol=7.470000e+06
assign (resid 32 and name HB2) (resid 75 and name HA) 3.247 1.318 2.818 weight 1.000 ! spec=HCH_al, no=754, id=2606, vol=2.020000e+06
assign (resid 32 and name HB2) (resid 32 and name HD1) 3.155 1.244 2.744 weight 1.000 ! spec=HCH_al, no=756, id=2608, vol=2.400000e+06
assign (resid 32 and name HB2) (resid 32 and name HB1) 2.066 0.534 2.034 weight 1.000 ! spec=HCH_al, no=759, id=2610, vol=3.040000e+07
assign (resid 106 and name HB) (resid 106 and name HA) 2.293 0.657 2.157 weight 1.000 ! spec=HCH_al, no=763, id=2614, vol=1.630000e+07
assign (resid 35 and name HN) (resid 34 and name HB2) 2.552 0.814 2.314 weight 1.000 ! spec=HCH_al, no=767, id=2618, vol=8.560000e+06
or (resid 35 and name HN) (resid 34 and name HB1)
assign (resid 32 and name HB2) (resid 32 and name HG1) 2.535 0.804 2.304 weight 1.000 ! spec=HCH_al, no=772, id=2623, vol=8.910000e+06
assign (resid 32 and name HG1) (resid 75 and name HG21) 2.630 0.864 2.364 weight 1.000 ! spec=HCH_al, no=773, id=2624, vol=7.160000e+06
or (resid 32 and name HG1) (resid 75 and name HG22)
or (resid 32 and name HG1) (resid 75 and name HG23)
assign (resid 32 and name HD2) (resid 35 and name HG1) 3.157 1.246 2.746 weight 1.000 ! spec=HCH_al, no=776, id=2627, vol=2.390000e+06
assign (resid 32 and name HD2) (resid 31 and name HB) 2.626 0.862 2.362 weight 1.000 ! spec=HCH_al, no=777, id=2628, vol=7.210000e+06
assign (resid 32 and name HG1) (resid 32 and name HD2) 2.614 0.854 2.354 weight 1.000 ! spec=HCH_al, no=778, id=2629, vol=7.420000e+06
assign (resid 32 and name HD2) (resid 75 and name HG21) 2.550 0.813 2.313 weight 1.000 ! spec=HCH_al, no=779, id=2630, vol=8.600000e+06
or (resid 32 and name HD2) (resid 75 and name HG22)
or (resid 32 and name HD2) (resid 75 and name HG23)
assign (resid 32 and name HD2) (resid 32 and name HD1) 2.393 0.716 2.216 weight 1.000 ! spec=HCH_al, no=781, id=2632, vol=1.260000e+07
assign (resid 32 and name HD1) (resid 31 and name HB) 2.697 0.909 2.409 weight 1.000 ! spec=HCH_al, no=783, id=2634, vol=6.150000e+06
assign (resid 32 and name HD1) (resid 32 and name HG1) 2.645 0.874 2.374 weight 1.000 ! spec=HCH_al, no=784, id=2635, vol=6.920000e+06
assign (resid 32 and name HD1) (resid 31 and name HG12) 2.727 0.929 2.429 weight 1.000 ! spec=HCH_al, no=785, id=2636, vol=5.760000e+06
or (resid 32 and name HD1) (resid 31 and name HG11)
or (resid 32 and name HD1) (resid 31 and name HG13)
assign (resid 76 and name HE1) (resid 33 and name HA) 3.096 1.198 2.698 weight 1.000 ! spec=HCH_al, no=786, id=2637, vol=2.690000e+06
assign (resid 33 and name HN) (resid 33 and name HA) 2.741 0.939 2.439 weight 1.000 ! spec=HCH_al, no=787, id=2638, vol=5.580000e+06
assign (resid 34 and name HN) (resid 33 and name HA) 3.047 1.160 2.66 weight 1.000 ! spec=HCH_al, no=788, id=2639, vol=2.960000e+06
assign (resid 33 and name HA) (resid 33 and name HD1) 2.678 0.896 2.396 weight 1.000 ! spec=HCH_al, no=789, id=2640, vol=6.420000e+06
or (resid 33 and name HA) (resid 33 and name HD2)
assign (resid 33 and name HA) (resid 32 and name HA) 3.221 1.297 2.797 weight 1.000 ! spec=HCH_al, no=790, id=2641, vol=2.120000e+06
assign (resid 33 and name HA) (resid 33 and name HB2) 2.561 0.820 2.32 weight 1.000 ! spec=HCH_al, no=791, id=2642, vol=8.380000e+06
assign (resid 33 and name HA) (resid 33 and name HB1) 2.710 0.918 2.418 weight 1.000 ! spec=HCH_al, no=792, id=2643, vol=5.980000e+06
assign (resid 33 and name HA) (resid 36 and name HB2) 2.973 1.105 2.605 weight 1.000 ! spec=HCH_al, no=793, id=2644, vol=3.430000e+06
assign (resid 21 and name HA) (resid 20 and name HB2) 2.884 1.040 2.54 weight 1.000 ! spec=HCH_al, no=794, id=2645, vol=4.110000e+06
or (resid 21 and name HA) (resid 20 and name HB1)
or (resid 21 and name HA) (resid 20 and name HB3)
assign (resid 34 and name HN) (resid 34 and name HA) 2.479 0.768 2.268 weight 1.000 ! spec=HCH_al, no=796, id=2647, vol=1.020000e+07
assign (resid 37 and name HN) (resid 34 and name HA) 2.873 1.032 2.532 weight 1.000 ! spec=HCH_al, no=797, id=2648, vol=4.210000e+06
assign (resid 38 and name HN) (resid 34 and name HA) 3.151 1.241 2.741 weight 1.000 ! spec=HCH_al, no=798, id=2649, vol=2.420000e+06
assign (resid 35 and name HN) (resid 34 and name HA) 2.805 0.983 2.483 weight 1.000 ! spec=HCH_al, no=799, id=2650, vol=4.860000e+06
assign (resid 34 and name HA) (resid 33 and name HD1) 3.272 1.338 2.838 weight 1.000 ! spec=HCH_al, no=800, id=2651, vol=1.930000e+06
or (resid 34 and name HA) (resid 33 and name HD2)
assign (resid 34 and name HB2) (resid 34 and name HA) 2.277 0.648 2.148 weight 1.000 ! spec=HCH_al, no=802, id=2653, vol=1.700000e+07
or (resid 34 and name HB1) (resid 34 and name HA)
assign (resid 34 and name HA) (resid 37 and name HB2) 2.701 0.912 2.412 weight 1.000 ! spec=HCH_al, no=803, id=2654, vol=6.100000e+06
assign (resid 34 and name HA) (resid 37 and name HB1) 2.597 0.843 2.343 weight 1.000 ! spec=HCH_al, no=804, id=2655, vol=7.720000e+06
assign (resid 34 and name HA) (resid 37 and name HD22) 2.523 0.796 2.296 weight 1.000 ! spec=HCH_al, no=805, id=2656, vol=9.180000e+06
or (resid 34 and name HA) (resid 37 and name HD21)
or (resid 34 and name HA) (resid 37 and name HD23)
or (resid 34 and name HA) (resid 37 and name HD12)
or (resid 34 and name HA) (resid 37 and name HD11)
or (resid 34 and name HA) (resid 37 and name HD13)
assign (resid 34 and name HB2) (resid 35 and name HA) 4.309 2.320 3.82 weight 1.000 ! spec=HCH_al, no=806, id=2657, vol=3.700000e+05
or (resid 34 and name HB1) (resid 35 and name HA)
assign (resid 34 and name HB2) (resid 38 and name HB2) 3.513 1.542 3.042 weight 1.000 ! spec=HCH_al, no=807, id=2658, vol=1.260000e+06
or (resid 34 and name HB1) (resid 38 and name HB2)
assign (resid 34 and name HN) (resid 34 and name HG2) 2.614 0.854 2.354 weight 1.000 ! spec=HCH_al, no=808, id=2659, vol=7.420000e+06
assign (resid 34 and name HG2) (resid 34 and name HE21) 2.586 0.836 2.336 weight 1.000 ! spec=HCH_al, no=809, id=2660, vol=7.920000e+06
assign (resid 34 and name HG2) (resid 34 and name HA) 2.562 0.821 2.321 weight 1.000 ! spec=HCH_al, no=811, id=2662, vol=8.360000e+06
assign (resid 34 and name HG2) (resid 34 and name HB2) 2.154 0.580 2.08 weight 1.000 ! spec=HCH_al, no=812, id=2663, vol=2.370000e+07
or (resid 34 and name HG2) (resid 34 and name HB1)
assign (resid 34 and name HE21) (resid 34 and name HG1) 2.535 0.803 2.303 weight 1.000 ! spec=HCH_al, no=814, id=2665, vol=8.920000e+06
assign (resid 34 and name HA) (resid 34 and name HG1) 2.510 0.787 2.287 weight 1.000 ! spec=HCH_al, no=816, id=2667, vol=9.470000e+06
assign (resid 34 and name HG1) (resid 33 and name HB1) 3.393 1.439 2.939 weight 1.000 ! spec=HCH_al, no=817, id=2668, vol=1.550000e+06
assign (resid 34 and name HG1) (resid 34 and name HB2) 1.964 0.482 1.982 weight 1.000 ! spec=HCH_al, no=818, id=2669, vol=4.120000e+07
or (resid 34 and name HG1) (resid 34 and name HB1)
assign (resid 35 and name HA) (resid 38 and name HB2) 2.533 0.802 2.302 weight 1.000 ! spec=HCH_al, no=820, id=2671, vol=8.960000e+06
assign (resid 57 and name HN) (resid 57 and name HA) 2.444 0.747 2.247 weight 1.000 ! spec=HCH_al, no=824, id=2675, vol=1.110000e+07
assign (resid 35 and name HN) (resid 36 and name HA) 3.408 1.452 2.952 weight 1.000 ! spec=HCH_al, no=825, id=2676, vol=1.510000e+06
assign (resid 57 and name HA) (resid 60 and name HB) 2.535 0.804 2.304 weight 1.000 ! spec=HCH_al, no=826, id=2677, vol=8.910000e+06
assign (resid 57 and name HA) (resid 57 and name HB1) 2.300 0.661 2.161 weight 1.000 ! spec=HCH_al, no=828, id=2679, vol=1.600000e+07
assign (resid 36 and name HA) (resid 31 and name HG12) 2.686 0.902 2.402 weight 1.000 ! spec=HCH_al, no=831, id=2682, vol=6.300000e+06
or (resid 36 and name HA) (resid 31 and name HG11)
or (resid 36 and name HA) (resid 31 and name HG13)
assign (resid 36 and name HA) (resid 36 and name HD22) 2.169 0.588 2.088 weight 1.000 ! spec=HCH_al, no=832, id=2683, vol=2.270000e+07
or (resid 36 and name HA) (resid 36 and name HD21)
or (resid 36 and name HA) (resid 36 and name HD23)
or (resid 36 and name HA) (resid 36 and name HD12)
or (resid 36 and name HA) (resid 36 and name HD11)
or (resid 36 and name HA) (resid 36 and name HD13)
assign (resid 36 and name HN) (resid 36 and name HG) 2.996 1.122 2.622 weight 1.000 ! spec=HCH_al, no=834, id=2685, vol=3.270000e+06
assign (resid 36 and name HG) (resid 58 and name HE1) 3.221 1.297 2.797 weight 1.000 ! spec=HCH_al, no=835, id=2686, vol=2.120000e+06
or (resid 36 and name HG) (resid 58 and name HE2)
assign (resid 36 and name HG) (resid 36 and name HA) 3.231 1.305 2.805 weight 1.000 ! spec=HCH_al, no=836, id=2687, vol=2.080000e+06
assign (resid 36 and name HG) (resid 36 and name HD22) 2.312 0.668 2.168 weight 1.000 ! spec=HCH_al, no=837, id=2688, vol=1.550000e+07
or (resid 36 and name HG) (resid 36 and name HD21)
or (resid 36 and name HG) (resid 36 and name HD23)
or (resid 36 and name HG) (resid 36 and name HD12)
or (resid 36 and name HG) (resid 36 and name HD11)
or (resid 36 and name HG) (resid 36 and name HD13)
assign (resid 36 and name HG) (resid 40 and name HD12) 2.881 1.037 2.537 weight 1.000 ! spec=HCH_al, no=838, id=2689, vol=4.140000e+06
or (resid 36 and name HG) (resid 40 and name HD11)
or (resid 36 and name HG) (resid 40 and name HD13)
assign (resid 40 and name HN) (resid 37 and name HA) 2.942 1.082 2.582 weight 1.000 ! spec=HCH_al, no=839, id=2690, vol=3.650000e+06
assign (resid 37 and name HN) (resid 37 and name HA) 2.601 0.845 2.345 weight 1.000 ! spec=HCH_al, no=840, id=2691, vol=7.650000e+06
assign (resid 38 and name HN) (resid 37 and name HA) 2.968 1.101 2.601 weight 1.000 ! spec=HCH_al, no=841, id=2692, vol=3.460000e+06
assign (resid 37 and name HA) (resid 58 and name HE1) 3.211 1.289 2.789 weight 1.000 ! spec=HCH_al, no=842, id=2693, vol=2.160000e+06
or (resid 37 and name HA) (resid 58 and name HE2)
assign (resid 37 and name HA) (resid 40 and name HA) 3.567 1.590 3.09 weight 1.000 ! spec=HCH_al, no=844, id=2695, vol=1.150000e+06
assign (resid 37 and name HA) (resid 37 and name HB2) 2.532 0.801 2.301 weight 1.000 ! spec=HCH_al, no=846, id=2697, vol=8.990000e+06
assign (resid 37 and name HA) (resid 37 and name HB1) 2.467 0.761 2.261 weight 1.000 ! spec=HCH_al, no=847, id=2698, vol=1.050000e+07
assign (resid 37 and name HA) (resid 37 and name HD22) 2.200 0.605 2.105 weight 1.000 ! spec=HCH_al, no=848, id=2699, vol=2.090000e+07
or (resid 37 and name HA) (resid 37 and name HD21)
or (resid 37 and name HA) (resid 37 and name HD23)
or (resid 37 and name HA) (resid 37 and name HD12)
or (resid 37 and name HA) (resid 37 and name HD11)
or (resid 37 and name HA) (resid 37 and name HD13)
assign (resid 38 and name HN) (resid 38 and name HA) 2.340 0.685 2.185 weight 1.000 ! spec=HCH_al, no=851, id=2701, vol=1.440000e+07
assign (resid 38 and name HA) (resid 38 and name HB1) 2.302 0.662 2.162 weight 1.000 ! spec=HCH_al, no=853, id=2703, vol=1.590000e+07
assign (resid 38 and name HB2) (resid 35 and name HB2) 3.131 1.226 2.726 weight 1.000 ! spec=HCH_al, no=855, id=2705, vol=2.510000e+06
or (resid 38 and name HB2) (resid 35 and name HB1)
assign (resid 39 and name HA) (resid 41 and name HN) 3.383 1.430 2.93 weight 1.000 ! spec=HCH_al, no=857, id=2707, vol=1.580000e+06
assign (resid 39 and name HA) (resid 40 and name HN) 2.953 1.090 2.59 weight 1.000 ! spec=HCH_al, no=858, id=2708, vol=3.570000e+06
assign (resid 39 and name HA) (resid 39 and name HN) 2.479 0.768 2.268 weight 1.000 ! spec=HCH_al, no=859, id=2709, vol=1.020000e+07
assign (resid 39 and name HA) (resid 42 and name HN) 2.639 0.870 2.37 weight 1.000 ! spec=HCH_al, no=860, id=2710, vol=7.010000e+06
assign (resid 39 and name HB2) (resid 23 and name HD12) 2.710 0.918 2.418 weight 1.000 ! spec=HCH_al, no=864, id=2714, vol=5.980000e+06
or (resid 39 and name HB2) (resid 23 and name HD11)
or (resid 39 and name HB2) (resid 23 and name HD13)
or (resid 39 and name HB1) (resid 23 and name HD12)
or (resid 39 and name HB1) (resid 23 and name HD11)
or (resid 39 and name HB1) (resid 23 and name HD13)
assign (resid 39 and name HB2) (resid 23 and name HD22) 2.562 0.820 2.32 weight 1.000 ! spec=HCH_al, no=865, id=2715, vol=8.370000e+06
or (resid 39 and name HB2) (resid 23 and name HD21)
or (resid 39 and name HB2) (resid 23 and name HD23)
or (resid 39 and name HB1) (resid 23 and name HD22)
or (resid 39 and name HB1) (resid 23 and name HD21)
or (resid 39 and name HB1) (resid 23 and name HD23)
assign (resid 39 and name HG2) (resid 36 and name HA) 2.516 0.792 2.292 weight 1.000 ! spec=HCH_al, no=866, id=2716, vol=9.320000e+06
assign (resid 39 and name HG2) (resid 23 and name HD12) 2.863 1.024 2.524 weight 1.000 ! spec=HCH_al, no=867, id=2717, vol=4.300000e+06
or (resid 39 and name HG2) (resid 23 and name HD11)
or (resid 39 and name HG2) (resid 23 and name HD13)
assign (resid 41 and name HN) (resid 40 and name HA) 3.050 1.163 2.663 weight 1.000 ! spec=HCH_al, no=870, id=2720, vol=2.940000e+06
assign (resid 40 and name HN) (resid 40 and name HA) 2.722 0.926 2.426 weight 1.000 ! spec=HCH_al, no=871, id=2721, vol=5.820000e+06
assign (resid 43 and name HN) (resid 40 and name HA) 2.795 0.977 2.477 weight 1.000 ! spec=HCH_al, no=872, id=2722, vol=4.960000e+06
assign (resid 42 and name HN) (resid 40 and name HA) 3.295 1.357 2.857 weight 1.000 ! spec=HCH_al, no=873, id=2723, vol=1.850000e+06
assign (resid 40 and name HA) (resid 42 and name HB2) 3.424 1.465 2.965 weight 1.000 ! spec=HCH_al, no=874, id=2724, vol=1.470000e+06
or (resid 40 and name HA) (resid 42 and name HB1)
assign (resid 40 and name HA) (resid 43 and name HB2) 2.830 1.001 2.501 weight 1.000 ! spec=HCH_al, no=877, id=2726, vol=4.610000e+06
assign (resid 40 and name HA) (resid 40 and name HG12) 2.599 0.844 2.344 weight 1.000 ! spec=HCH_al, no=878, id=2727, vol=7.680000e+06
assign (resid 40 and name HA) (resid 43 and name HB1) 2.830 1.001 2.501 weight 1.000 ! spec=HCH_al, no=879, id=2728, vol=4.610000e+06
assign (resid 40 and name HA) (resid 41 and name HB2) 3.342 1.396 2.896 weight 1.000 ! spec=HCH_al, no=880, id=2729, vol=1.700000e+06
or (resid 40 and name HA) (resid 41 and name HB1)
or (resid 40 and name HA) (resid 41 and name HB3)
assign (resid 40 and name HA) (resid 43 and name HD22) 2.514 0.790 2.29 weight 1.000 ! spec=HCH_al, no=881, id=2730, vol=9.370000e+06
or (resid 40 and name HA) (resid 43 and name HD21)
or (resid 40 and name HA) (resid 43 and name HD23)
or (resid 40 and name HA) (resid 43 and name HD12)
or (resid 40 and name HA) (resid 43 and name HD11)
or (resid 40 and name HA) (resid 43 and name HD13)
assign (resid 23 and name HD22) (resid 40 and name HA) 2.448 0.749 2.249 weight 1.000 ! spec=HCH_al, no=882, id=2731, vol=1.100000e+07
or (resid 23 and name HD21) (resid 40 and name HA)
or (resid 23 and name HD23) (resid 40 and name HA)
assign (resid 40 and name HB) (resid 40 and name HG12) 2.718 0.923 2.423 weight 1.000 ! spec=HCH_al, no=890, id=2739, vol=5.870000e+06
assign (resid 40 and name HB) (resid 41 and name HB2) 3.129 1.224 2.724 weight 1.000 ! spec=HCH_al, no=891, id=2740, vol=2.520000e+06
or (resid 40 and name HB) (resid 41 and name HB1)
or (resid 40 and name HB) (resid 41 and name HB3)
assign (resid 41 and name HN) (resid 40 and name HG22) 2.369 0.701 2.201 weight 1.000 ! spec=HCH_al, no=894, id=2743, vol=1.340000e+07
or (resid 41 and name HN) (resid 40 and name HG21)
or (resid 41 and name HN) (resid 40 and name HG23)
assign (resid 40 and name HB) (resid 40 and name HG22) 1.967 0.483 1.983 weight 1.000 ! spec=HCH_al, no=896, id=2745, vol=4.090000e+07
or (resid 40 and name HB) (resid 40 and name HG21)
or (resid 40 and name HB) (resid 40 and name HG23)
assign (resid 40 and name HG22) (resid 40 and name HD12) 1.820 0.414 1.914 weight 1.000 ! spec=HCH_al, no=897, id=2746, vol=6.510000e+07
or (resid 40 and name HG22) (resid 40 and name HD11)
or (resid 40 and name HG22) (resid 40 and name HD13)
or (resid 40 and name HG21) (resid 40 and name HD12)
or (resid 40 and name HG21) (resid 40 and name HD11)
or (resid 40 and name HG21) (resid 40 and name HD13)
or (resid 40 and name HG23) (resid 40 and name HD12)
or (resid 40 and name HG23) (resid 40 and name HD11)
or (resid 40 and name HG23) (resid 40 and name HD13)
assign (resid 40 and name HG12) (resid 40 and name HG11) 2.501 0.782 2.282 weight 1.000 ! spec=HCH_al, no=899, id=2748, vol=9.670000e+06
assign (resid 40 and name HG11) (resid 37 and name HA) 3.929 1.930 3.43 weight 1.000 ! spec=HCH_al, no=902, id=2751, vol=6.430000e+05
assign (resid 40 and name HA) (resid 40 and name HG11) 3.028 1.146 2.646 weight 1.000 ! spec=HCH_al, no=903, id=2752, vol=3.070000e+06
assign (resid 40 and name HG11) (resid 20 and name HB2) 3.812 1.817 3.317 weight 1.000 ! spec=HCH_al, no=905, id=2754, vol=7.710000e+05
or (resid 40 and name HG11) (resid 20 and name HB1)
or (resid 40 and name HG11) (resid 20 and name HB3)
assign (resid 40 and name HG11) (resid 23 and name HD22) 2.789 0.972 2.472 weight 1.000 ! spec=HCH_al, no=906, id=2755, vol=5.030000e+06
or (resid 40 and name HG11) (resid 23 and name HD21)
or (resid 40 and name HG11) (resid 23 and name HD23)
assign (resid 40 and name HG11) (resid 40 and name HD12) 2.582 0.834 2.334 weight 1.000 ! spec=HCH_al, no=908, id=2756, vol=7.980000e+06
or (resid 40 and name HG11) (resid 40 and name HD11)
or (resid 40 and name HG11) (resid 40 and name HD13)
assign (resid 41 and name HN) (resid 41 and name HA) 2.503 0.783 2.283 weight 1.000 ! spec=HCH_al, no=910, id=2757, vol=9.630000e+06
assign (resid 41 and name HA) (resid 40 and name HN) 3.522 1.551 3.051 weight 1.000 ! spec=HCH_al, no=911, id=2758, vol=1.240000e+06
assign (resid 41 and name HA) (resid 46 and name HB) 3.556 1.581 3.081 weight 1.000 ! spec=HCH_al, no=915, id=2761, vol=1.170000e+06
assign (resid 41 and name HA) (resid 44 and name HB2) 2.753 0.947 2.447 weight 1.000 ! spec=HCH_al, no=916, id=2762, vol=5.440000e+06
assign (resid 49 and name HN) (resid 41 and name HB2) 3.182 1.266 2.766 weight 1.000 ! spec=HCH_al, no=919, id=2765, vol=2.280000e+06
or (resid 49 and name HN) (resid 41 and name HB1)
or (resid 49 and name HN) (resid 41 and name HB3)
assign (resid 48 and name HN) (resid 41 and name HB2) 2.430 0.738 2.238 weight 1.000 ! spec=HCH_al, no=920, id=2766, vol=1.150000e+07
or (resid 48 and name HN) (resid 41 and name HB1)
or (resid 48 and name HN) (resid 41 and name HB3)
assign (resid 41 and name HN) (resid 41 and name HB2) 1.881 0.442 1.942 weight 1.000 ! spec=HCH_al, no=921, id=2767, vol=5.340000e+07
or (resid 41 and name HN) (resid 41 and name HB1)
or (resid 41 and name HN) (resid 41 and name HB3)
assign (resid 42 and name HN) (resid 41 and name HB2) 2.030 0.515 2.015 weight 1.000 ! spec=HCH_al, no=924, id=2770, vol=3.380000e+07
or (resid 42 and name HN) (resid 41 and name HB1)
or (resid 42 and name HN) (resid 41 and name HB3)
assign (resid 41 and name HB2) (resid 47 and name HA) 2.430 0.738 2.238 weight 1.000 ! spec=HCH_al, no=926, id=2771, vol=1.150000e+07
or (resid 41 and name HB1) (resid 47 and name HA)
or (resid 41 and name HB3) (resid 47 and name HA)
assign (resid 38 and name HA) (resid 41 and name HB2) 2.193 0.601 2.101 weight 1.000 ! spec=HCH_al, no=927, id=2772, vol=2.130000e+07
or (resid 38 and name HA) (resid 41 and name HB1)
or (resid 38 and name HA) (resid 41 and name HB3)
assign (resid 41 and name HA) (resid 41 and name HB2) 1.934 0.468 1.968 weight 1.000 ! spec=HCH_al, no=929, id=2774, vol=4.520000e+07
or (resid 41 and name HA) (resid 41 and name HB1)
or (resid 41 and name HA) (resid 41 and name HB3)
assign (resid 41 and name HB2) (resid 48 and name HA) 2.082 0.542 2.042 weight 1.000 ! spec=HCH_al, no=930, id=2775, vol=2.910000e+07
or (resid 41 and name HB1) (resid 48 and name HA)
or (resid 41 and name HB3) (resid 48 and name HA)
assign (resid 41 and name HB2) (resid 48 and name HE2) 2.710 0.918 2.418 weight 1.000 ! spec=HCH_al, no=931, id=2776, vol=5.980000e+06
or (resid 41 and name HB2) (resid 48 and name HE1)
or (resid 41 and name HB1) (resid 48 and name HE2)
or (resid 41 and name HB1) (resid 48 and name HE1)
or (resid 41 and name HB3) (resid 48 and name HE2)
or (resid 41 and name HB3) (resid 48 and name HE1)
assign (resid 41 and name HB2) (resid 48 and name HB2) 2.354 0.693 2.193 weight 1.000 ! spec=HCH_al, no=934, id=2779, vol=1.390000e+07
or (resid 41 and name HB1) (resid 48 and name HB2)
or (resid 41 and name HB3) (resid 48 and name HB2)
assign (resid 42 and name HA) (resid 41 and name HB2) 3.211 1.289 2.789 weight 1.000 ! spec=HCH_al, no=939, id=2783, vol=2.160000e+06
or (resid 42 and name HA) (resid 41 and name HB1)
or (resid 42 and name HA) (resid 41 and name HB3)
assign (resid 41 and name HN) (resid 42 and name HB2) 3.123 1.219 2.719 weight 1.000 ! spec=HCH_al, no=940, id=2784, vol=2.550000e+06
or (resid 41 and name HN) (resid 42 and name HB1)
assign (resid 42 and name HB2) (resid 42 and name HA) 2.066 0.534 2.034 weight 1.000 ! spec=HCH_al, no=942, id=2786, vol=3.040000e+07
or (resid 42 and name HB1) (resid 42 and name HA)
assign (resid 41 and name HB2) (resid 42 and name HB2) 2.879 1.036 2.536 weight 1.000 ! spec=HCH_al, no=944, id=2788, vol=4.160000e+06
or (resid 41 and name HB2) (resid 42 and name HB1)
or (resid 41 and name HB1) (resid 42 and name HB2)
or (resid 41 and name HB1) (resid 42 and name HB1)
or (resid 41 and name HB3) (resid 42 and name HB2)
or (resid 41 and name HB3) (resid 42 and name HB1)
assign (resid 42 and name HB2) (resid 43 and name HD22) 2.980 1.110 2.61 weight 1.000 ! spec=HCH_al, no=945, id=2789, vol=3.380000e+06
or (resid 42 and name HB2) (resid 43 and name HD21)
or (resid 42 and name HB2) (resid 43 and name HD23)
or (resid 42 and name HB2) (resid 43 and name HD12)
or (resid 42 and name HB2) (resid 43 and name HD11)
or (resid 42 and name HB2) (resid 43 and name HD13)
or (resid 42 and name HB1) (resid 43 and name HD22)
or (resid 42 and name HB1) (resid 43 and name HD21)
or (resid 42 and name HB1) (resid 43 and name HD23)
or (resid 42 and name HB1) (resid 43 and name HD12)
or (resid 42 and name HB1) (resid 43 and name HD11)
or (resid 42 and name HB1) (resid 43 and name HD13)
assign (resid 43 and name HN) (resid 43 and name HA) 2.196 0.603 2.103 weight 1.000 ! spec=HCH_al, no=947, id=2791, vol=2.110000e+07
assign (resid 43 and name HA) (resid 43 and name HB2) 2.396 0.718 2.218 weight 1.000 ! spec=HCH_al, no=951, id=2795, vol=1.250000e+07
assign (resid 43 and name HA) (resid 43 and name HG) 2.423 0.734 2.234 weight 1.000 ! spec=HCH_al, no=952, id=2796, vol=1.170000e+07
assign (resid 43 and name HA) (resid 43 and name HB1) 2.235 0.624 2.124 weight 1.000 ! spec=HCH_al, no=953, id=2797, vol=1.900000e+07
assign (resid 43 and name HA) (resid 43 and name HD22) 2.017 0.509 2.009 weight 1.000 ! spec=HCH_al, no=955, id=2799, vol=3.510000e+07
or (resid 43 and name HA) (resid 43 and name HD21)
or (resid 43 and name HA) (resid 43 and name HD23)
or (resid 43 and name HA) (resid 43 and name HD12)
or (resid 43 and name HA) (resid 43 and name HD11)
or (resid 43 and name HA) (resid 43 and name HD13)
assign (resid 43 and name HN) (resid 43 and name HG) 2.567 0.824 2.324 weight 1.000 ! spec=HCH_al, no=957, id=2800, vol=8.270000e+06
assign (resid 44 and name HA) (resid 11 and name HB1) 3.390 1.436 2.936 weight 1.000 ! spec=HCH_al, no=961, id=2804, vol=1.560000e+06
assign (resid 45 and name HN) (resid 45 and name HA1) 2.297 0.660 2.16 weight 1.000 ! spec=HCH_al, no=972, id=2809, vol=1.610000e+07
assign (resid 46 and name HN) (resid 45 and name HA1) 2.740 0.939 2.439 weight 1.000 ! spec=HCH_al, no=973, id=2810, vol=5.590000e+06
assign (resid 45 and name HA1) (resid 46 and name HA) 3.151 1.241 2.741 weight 1.000 ! spec=HCH_al, no=975, id=2812, vol=2.420000e+06
assign (resid 45 and name HA1) (resid 45 and name HA2) 2.050 0.525 2.025 weight 1.000 ! spec=HCH_al, no=976, id=2813, vol=3.190000e+07
assign (resid 45 and name HA1) (resid 46 and name HG12) 3.397 1.443 2.943 weight 1.000 ! spec=HCH_al, no=978, id=2815, vol=1.540000e+06
or (resid 45 and name HA1) (resid 46 and name HG11)
or (resid 45 and name HA1) (resid 46 and name HG13)
assign (resid 45 and name HN) (resid 45 and name HA2) 2.312 0.668 2.168 weight 1.000 ! spec=HCH_al, no=980, id=2816, vol=1.550000e+07
assign (resid 46 and name HN) (resid 45 and name HA2) 2.730 0.931 2.431 weight 1.000 ! spec=HCH_al, no=981, id=2817, vol=5.720000e+06
assign (resid 45 and name HA2) (resid 46 and name HA) 3.298 1.359 2.859 weight 1.000 ! spec=HCH_al, no=983, id=2819, vol=1.840000e+06
assign (resid 45 and name HA2) (resid 46 and name HG12) 3.335 1.390 2.89 weight 1.000 ! spec=HCH_al, no=986, id=2821, vol=1.720000e+06
or (resid 45 and name HA2) (resid 46 and name HG11)
or (resid 45 and name HA2) (resid 46 and name HG13)
assign (resid 45 and name HA2) (resid 46 and name HG22) 3.730 1.739 3.239 weight 1.000 ! spec=HCH_al, no=987, id=2822, vol=8.790000e+05
or (resid 45 and name HA2) (resid 46 and name HG21)
or (resid 45 and name HA2) (resid 46 and name HG23)
assign (resid 46 and name HB) (resid 50 and name HN) 2.882 1.038 2.538 weight 1.000 ! spec=HCH_al, no=989, id=2824, vol=4.130000e+06
assign (resid 46 and name HB) (resid 46 and name HA) 2.471 0.763 2.263 weight 1.000 ! spec=HCH_al, no=990, id=2825, vol=1.040000e+07
assign (resid 48 and name HN) (resid 47 and name HA) 2.133 0.569 2.069 weight 1.000 ! spec=HCH_al, no=993, id=2828, vol=2.510000e+07
assign (resid 47 and name HN) (resid 47 and name HA) 2.614 0.854 2.354 weight 1.000 ! spec=HCH_al, no=994, id=2829, vol=7.420000e+06
assign (resid 47 and name HA) (resid 47 and name HB2) 2.459 0.756 2.256 weight 1.000 ! spec=HCH_al, no=995, id=2830, vol=1.070000e+07
assign (resid 47 and name HN) (resid 47 and name HB2) 2.426 0.736 2.236 weight 1.000 ! spec=HCH_al, no=999, id=2834, vol=1.160000e+07
assign (resid 47 and name HB2) (resid 47 and name HE2) 3.443 1.482 2.982 weight 1.000 ! spec=HCH_al, no=1002, id=2836, vol=1.420000e+06
or (resid 47 and name HB2) (resid 47 and name HE1)
assign (resid 47 and name HB2) (resid 47 and name HD2) 2.070 0.536 2.036 weight 1.000 ! spec=HCH_al, no=1003, id=2837, vol=3.010000e+07
or (resid 47 and name HB2) (resid 47 and name HD1)
assign (resid 49 and name HN) (resid 47 and name HB1) 2.929 1.072 2.572 weight 1.000 ! spec=HCH_al, no=1004, id=2838, vol=3.750000e+06
assign (resid 47 and name HB1) (resid 48 and name HN) 2.897 1.049 2.549 weight 1.000 ! spec=HCH_al, no=1005, id=2839, vol=4.000000e+06
assign (resid 47 and name HB1) (resid 47 and name HN) 2.583 0.834 2.334 weight 1.000 ! spec=HCH_al, no=1006, id=2840, vol=7.970000e+06
assign (resid 47 and name HB1) (resid 47 and name HA) 2.835 1.005 2.505 weight 1.000 ! spec=HCH_al, no=1009, id=2842, vol=4.560000e+06
assign (resid 47 and name HB1) (resid 50 and name HG2) 3.272 1.338 2.838 weight 1.000 ! spec=HCH_al, no=1010, id=2843, vol=1.930000e+06
assign (resid 47 and name HB1) (resid 47 and name HB2) 2.452 0.751 2.251 weight 1.000 ! spec=HCH_al, no=1011, id=2844, vol=1.090000e+07
assign (resid 46 and name HG22) (resid 47 and name HB1) 3.593 1.614 3.114 weight 1.000 ! spec=HCH_al, no=1013, id=2846, vol=1.100000e+06
or (resid 46 and name HG21) (resid 47 and name HB1)
or (resid 46 and name HG23) (resid 47 and name HB1)
assign (resid 47 and name HG2) (resid 47 and name HN) 2.530 0.800 2.3 weight 1.000 ! spec=HCH_al, no=1015, id=2848, vol=9.020000e+06
assign (resid 47 and name HG2) (resid 50 and name HN) 3.397 1.443 2.943 weight 1.000 ! spec=HCH_al, no=1016, id=2849, vol=1.540000e+06
assign (resid 47 and name HG2) (resid 46 and name HA) 3.113 1.211 2.711 weight 1.000 ! spec=HCH_al, no=1017, id=2850, vol=2.600000e+06
assign (resid 47 and name HG2) (resid 47 and name HE2) 2.646 0.875 2.375 weight 1.000 ! spec=HCH_al, no=1019, id=2852, vol=6.900000e+06
or (resid 47 and name HG2) (resid 47 and name HE1)
assign (resid 47 and name HG2) (resid 50 and name HG2) 3.010 1.133 2.633 weight 1.000 ! spec=HCH_al, no=1020, id=2853, vol=3.180000e+06
assign (resid 47 and name HG1) (resid 49 and name HN) 3.345 1.399 2.899 weight 1.000 ! spec=HCH_al, no=1022, id=2855, vol=1.690000e+06
assign (resid 48 and name HN) (resid 47 and name HG1) 3.025 1.144 2.644 weight 1.000 ! spec=HCH_al, no=1023, id=2856, vol=3.090000e+06
assign (resid 47 and name HG1) (resid 50 and name HN) 3.298 1.359 2.859 weight 1.000 ! spec=HCH_al, no=1024, id=2857, vol=1.840000e+06
assign (resid 47 and name HG1) (resid 46 and name HA) 3.749 1.757 3.257 weight 1.000 ! spec=HCH_al, no=1025, id=2858, vol=8.520000e+05
assign (resid 47 and name HG1) (resid 47 and name HE2) 2.528 0.799 2.299 weight 1.000 ! spec=HCH_al, no=1027, id=2860, vol=9.070000e+06
or (resid 47 and name HG1) (resid 47 and name HE1)
assign (resid 47 and name HG1) (resid 50 and name HG2) 3.096 1.198 2.698 weight 1.000 ! spec=HCH_al, no=1028, id=2861, vol=2.690000e+06
assign (resid 47 and name HG1) (resid 47 and name HB2) 2.560 0.819 2.319 weight 1.000 ! spec=HCH_al, no=1029, id=2862, vol=8.410000e+06
assign (resid 49 and name HN) (resid 48 and name HA) 2.889 1.043 2.543 weight 1.000 ! spec=HCH_al, no=1030, id=2863, vol=4.070000e+06
assign (resid 48 and name HN) (resid 48 and name HA) 2.490 0.775 2.275 weight 1.000 ! spec=HCH_al, no=1031, id=2864, vol=9.940000e+06
assign (resid 50 and name HN) (resid 48 and name HA) 2.983 1.112 2.612 weight 1.000 ! spec=HCH_al, no=1032, id=2865, vol=3.360000e+06
assign (resid 51 and name HN) (resid 48 and name HA) 3.020 1.140 2.64 weight 1.000 ! spec=HCH_al, no=1033, id=2866, vol=3.120000e+06
assign (resid 48 and name HA) (resid 47 and name HA) 2.986 1.114 2.614 weight 1.000 ! spec=HCH_al, no=1034, id=2867, vol=3.340000e+06
assign (resid 48 and name HA) (resid 48 and name HE2) 3.258 1.327 2.827 weight 1.000 ! spec=HCH_al, no=1036, id=2868, vol=1.980000e+06
or (resid 48 and name HA) (resid 48 and name HE1)
assign (resid 48 and name HA) (resid 48 and name HB2) 2.426 0.736 2.236 weight 1.000 ! spec=HCH_al, no=1037, id=2869, vol=1.160000e+07
assign (resid 48 and name HA) (resid 55 and name HD12) 3.142 1.234 2.734 weight 1.000 ! spec=HCH_al, no=1040, id=2872, vol=2.460000e+06
or (resid 48 and name HA) (resid 55 and name HD11)
or (resid 48 and name HA) (resid 55 and name HD13)
assign (resid 48 and name HA) (resid 46 and name HG22) 2.700 0.911 2.411 weight 1.000 ! spec=HCH_al, no=1042, id=2874, vol=6.110000e+06
or (resid 48 and name HA) (resid 46 and name HG21)
or (resid 48 and name HA) (resid 46 and name HG23)
assign (resid 48 and name HN) (resid 48 and name HB2) 2.516 0.791 2.291 weight 1.000 ! spec=HCH_al, no=1044, id=2876, vol=9.340000e+06
assign (resid 49 and name HN) (resid 48 and name HG2) 2.708 0.917 2.417 weight 1.000 ! spec=HCH_al, no=1046, id=2878, vol=6.000000e+06
or (resid 49 and name HN) (resid 48 and name HG1)
assign (resid 99 and name HA) (resid 99 and name HG2) 2.592 0.840 2.34 weight 1.000 ! spec=HCH_al, no=1048, id=2880, vol=7.800000e+06
or (resid 99 and name HA) (resid 99 and name HG1)
assign (resid 48 and name HA) (resid 48 and name HG2) 2.749 0.945 2.445 weight 1.000 ! spec=HCH_al, no=1050, id=2882, vol=5.480000e+06
or (resid 48 and name HA) (resid 48 and name HG1)
assign (resid 48 and name HG2) (resid 50 and name HG2) 3.335 1.390 2.89 weight 1.000 ! spec=HCH_al, no=1052, id=2884, vol=1.720000e+06
or (resid 48 and name HG1) (resid 50 and name HG2)
assign (resid 38 and name HN) (resid 48 and name HD2) 2.683 0.900 2.4 weight 1.000 ! spec=HCH_al, no=1053, id=2885, vol=6.350000e+06
or (resid 38 and name HN) (resid 48 and name HD1)
assign (resid 51 and name HN) (resid 49 and name HA) 3.014 1.135 2.635 weight 1.000 ! spec=HCH_al, no=1054, id=2886, vol=3.160000e+06
assign (resid 49 and name HA) (resid 52 and name HN) 3.055 1.167 2.667 weight 1.000 ! spec=HCH_al, no=1055, id=2887, vol=2.910000e+06
assign (resid 50 and name HN) (resid 50 and name HA) 2.168 0.587 2.087 weight 1.000 ! spec=HCH_al, no=1057, id=2889, vol=2.280000e+07
assign (resid 52 and name HN) (resid 50 and name HA) 2.744 0.941 2.441 weight 1.000 ! spec=HCH_al, no=1058, id=2890, vol=5.550000e+06
assign (resid 51 and name HA) (resid 51 and name HN) 2.346 0.688 2.188 weight 1.000 ! spec=HCH_al, no=1063, id=2895, vol=1.420000e+07
assign (resid 112 and name HN) (resid 112 and name HG) 2.060 0.530 2.03 weight 1.000 ! spec=HCH_al, no=1064, id=2896, vol=3.100000e+07
assign (resid 53 and name HN) (resid 52 and name HA1) 2.631 0.866 2.366 weight 1.000 ! spec=HCH_al, no=1067, id=2899, vol=7.130000e+06
assign (resid 54 and name HN) (resid 52 and name HA1) 2.964 1.098 2.598 weight 1.000 ! spec=HCH_al, no=1068, id=2900, vol=3.490000e+06
assign (resid 52 and name HN) (resid 52 and name HA1) 2.229 0.621 2.121 weight 1.000 ! spec=HCH_al, no=1069, id=2901, vol=1.930000e+07
assign (resid 52 and name HA1) (resid 53 and name HB1) 3.310 1.369 2.869 weight 1.000 ! spec=HCH_al, no=1073, id=2905, vol=1.800000e+06
assign (resid 52 and name HA1) (resid 55 and name HB) 3.277 1.343 2.843 weight 1.000 ! spec=HCH_al, no=1074, id=2906, vol=1.910000e+06
assign (resid 52 and name HA1) (resid 55 and name HG12) 3.332 1.388 2.888 weight 1.000 ! spec=HCH_al, no=1075, id=2907, vol=1.730000e+06
assign (resid 53 and name HN) (resid 52 and name HA2) 2.857 1.020 2.52 weight 1.000 ! spec=HCH_al, no=1077, id=2909, vol=4.350000e+06
assign (resid 54 and name HN) (resid 52 and name HA2) 3.184 1.268 2.768 weight 1.000 ! spec=HCH_al, no=1078, id=2910, vol=2.270000e+06
assign (resid 52 and name HN) (resid 52 and name HA2) 2.173 0.590 2.09 weight 1.000 ! spec=HCH_al, no=1079, id=2911, vol=2.250000e+07
assign (resid 52 and name HA2) (resid 53 and name HA) 3.791 1.797 3.297 weight 1.000 ! spec=HCH_al, no=1081, id=2913, vol=7.970000e+05
assign (resid 52 and name HA1) (resid 52 and name HA2) 1.892 0.447 1.947 weight 1.000 ! spec=HCH_al, no=1082, id=2914, vol=5.160000e+07
assign (resid 52 and name HA2) (resid 55 and name HB) 2.943 1.083 2.583 weight 1.000 ! spec=HCH_al, no=1084, id=2915, vol=3.640000e+06
assign (resid 52 and name HA2) (resid 55 and name HG12) 3.028 1.146 2.646 weight 1.000 ! spec=HCH_al, no=1085, id=2916, vol=3.070000e+06
assign (resid 52 and name HA2) (resid 55 and name HD12) 2.448 0.749 2.249 weight 1.000 ! spec=HCH_al, no=1086, id=2917, vol=1.100000e+07
or (resid 52 and name HA2) (resid 55 and name HD11)
or (resid 52 and name HA2) (resid 55 and name HD13)
assign (resid 54 and name HN) (resid 53 and name HA) 2.710 0.918 2.418 weight 1.000 ! spec=HCH_al, no=1087, id=2918, vol=5.970000e+06
assign (resid 53 and name HA) (resid 56 and name HB2) 2.715 0.921 2.421 weight 1.000 ! spec=HCH_al, no=1089, id=2919, vol=5.910000e+06
or (resid 53 and name HA) (resid 56 and name HB1)
or (resid 53 and name HA) (resid 56 and name HB3)
assign (resid 61 and name HN) (resid 61 and name HA) 2.509 0.787 2.287 weight 1.000 ! spec=HCH_al, no=1095, id=2920, vol=9.480000e+06
assign (resid 54 and name HN) (resid 54 and name HA) 2.390 0.714 2.214 weight 1.000 ! spec=HCH_al, no=1096, id=2921, vol=1.270000e+07
assign (resid 61 and name HA) (resid 62 and name HN) 2.952 1.089 2.589 weight 1.000 ! spec=HCH_al, no=1097, id=2922, vol=3.580000e+06
assign (resid 57 and name HN) (resid 54 and name HA) 2.899 1.050 2.55 weight 1.000 ! spec=HCH_al, no=1099, id=2924, vol=3.990000e+06
assign (resid 61 and name HA) (resid 61 and name HB2) 2.587 0.836 2.336 weight 1.000 ! spec=HCH_al, no=1101, id=2926, vol=7.900000e+06
assign (resid 61 and name HA) (resid 61 and name HB1) 2.538 0.805 2.305 weight 1.000 ! spec=HCH_al, no=1102, id=2927, vol=8.860000e+06
assign (resid 54 and name HA) (resid 54 and name HG1) 2.360 0.696 2.196 weight 1.000 ! spec=HCH_al, no=1105, id=2930, vol=1.370000e+07
assign (resid 61 and name HA) (resid 64 and name HG12) 2.433 0.740 2.24 weight 1.000 ! spec=HCH_al, no=1106, id=2931, vol=1.140000e+07
assign (resid 54 and name HB1) (resid 54 and name HN) 2.533 0.802 2.302 weight 1.000 ! spec=HCH_al, no=1109, id=2934, vol=8.960000e+06
assign (resid 54 and name HB1) (resid 55 and name HN) 3.242 1.313 2.813 weight 1.000 ! spec=HCH_al, no=1110, id=2935, vol=2.040000e+06
assign (resid 59 and name HN) (resid 55 and name HA) 3.223 1.299 2.799 weight 1.000 ! spec=HCH_al, no=1116, id=2940, vol=2.110000e+06
assign (resid 56 and name HN) (resid 55 and name HA) 3.099 1.201 2.701 weight 1.000 ! spec=HCH_al, no=1117, id=2941, vol=2.670000e+06
assign (resid 58 and name HN) (resid 55 and name HA) 2.945 1.084 2.584 weight 1.000 ! spec=HCH_al, no=1118, id=2942, vol=3.630000e+06
assign (resid 55 and name HN) (resid 55 and name HA) 2.731 0.932 2.432 weight 1.000 ! spec=HCH_al, no=1119, id=2943, vol=5.710000e+06
assign (resid 55 and name HA) (resid 58 and name HA) 3.092 1.195 2.695 weight 1.000 ! spec=HCH_al, no=1121, id=2945, vol=2.710000e+06
assign (resid 55 and name HA) (resid 58 and name HB2) 2.706 0.915 2.415 weight 1.000 ! spec=HCH_al, no=1123, id=2946, vol=6.030000e+06
assign (resid 55 and name HA) (resid 55 and name HB) 2.754 0.948 2.448 weight 1.000 ! spec=HCH_al, no=1124, id=2947, vol=5.420000e+06
assign (resid 55 and name HA) (resid 55 and name HG12) 2.800 0.980 2.48 weight 1.000 ! spec=HCH_al, no=1125, id=2948, vol=4.910000e+06
assign (resid 55 and name HA) (resid 56 and name HB2) 3.536 1.563 3.063 weight 1.000 ! spec=HCH_al, no=1126, id=2949, vol=1.210000e+06
or (resid 55 and name HA) (resid 56 and name HB1)
or (resid 55 and name HA) (resid 56 and name HB3)
assign (resid 55 and name HA) (resid 37 and name HD22) 2.814 0.990 2.49 weight 1.000 ! spec=HCH_al, no=1129, id=2952, vol=4.770000e+06
or (resid 55 and name HA) (resid 37 and name HD21)
or (resid 55 and name HA) (resid 37 and name HD23)
or (resid 55 and name HA) (resid 37 and name HD12)
or (resid 55 and name HA) (resid 37 and name HD11)
or (resid 55 and name HA) (resid 37 and name HD13)
assign (resid 55 and name HA) (resid 16 and name HD12) 2.958 1.094 2.594 weight 1.000 ! spec=HCH_al, no=1130, id=2953, vol=3.530000e+06
or (resid 55 and name HA) (resid 16 and name HD11)
or (resid 55 and name HA) (resid 16 and name HD13)
assign (resid 55 and name HB) (resid 56 and name HA) 3.627 1.644 3.144 weight 1.000 ! spec=HCH_al, no=1134, id=2957, vol=1.040000e+06
assign (resid 55 and name HB) (resid 55 and name HG12) 2.890 1.044 2.544 weight 1.000 ! spec=HCH_al, no=1136, id=2959, vol=4.060000e+06
assign (resid 55 and name HB) (resid 56 and name HB2) 3.184 1.268 2.768 weight 1.000 ! spec=HCH_al, no=1137, id=2960, vol=2.270000e+06
or (resid 55 and name HB) (resid 56 and name HB1)
or (resid 55 and name HB) (resid 56 and name HB3)
assign (resid 55 and name HB) (resid 37 and name HD22) 3.117 1.215 2.715 weight 1.000 ! spec=HCH_al, no=1140, id=2963, vol=2.580000e+06
or (resid 55 and name HB) (resid 37 and name HD21)
or (resid 55 and name HB) (resid 37 and name HD23)
or (resid 55 and name HB) (resid 37 and name HD12)
or (resid 55 and name HB) (resid 37 and name HD11)
or (resid 55 and name HB) (resid 37 and name HD13)
assign (resid 55 and name HG22) (resid 56 and name HA) 2.651 0.878 2.378 weight 1.000 ! spec=HCH_al, no=1142, id=2965, vol=6.820000e+06
or (resid 55 and name HG21) (resid 56 and name HA)
or (resid 55 and name HG23) (resid 56 and name HA)
assign (resid 55 and name HG22) (resid 56 and name HB2) 2.735 0.935 2.435 weight 1.000 ! spec=HCH_al, no=1144, id=2967, vol=5.650000e+06
or (resid 55 and name HG22) (resid 56 and name HB1)
or (resid 55 and name HG22) (resid 56 and name HB3)
or (resid 55 and name HG21) (resid 56 and name HB2)
or (resid 55 and name HG21) (resid 56 and name HB1)
or (resid 55 and name HG21) (resid 56 and name HB3)
or (resid 55 and name HG23) (resid 56 and name HB2)
or (resid 55 and name HG23) (resid 56 and name HB1)
or (resid 55 and name HG23) (resid 56 and name HB3)
assign (resid 55 and name HN) (resid 55 and name HG12) 2.669 0.890 2.39 weight 1.000 ! spec=HCH_al, no=1145, id=2968, vol=6.550000e+06
assign (resid 55 and name HG12) (resid 55 and name HG22) 2.555 0.816 2.316 weight 1.000 ! spec=HCH_al, no=1148, id=2971, vol=8.500000e+06
or (resid 55 and name HG12) (resid 55 and name HG21)
or (resid 55 and name HG12) (resid 55 and name HG23)
assign (resid 55 and name HG12) (resid 55 and name HG11) 2.065 0.533 2.033 weight 1.000 ! spec=HCH_al, no=1149, id=2972, vol=3.050000e+07
assign (resid 55 and name HB) (resid 55 and name HG11) 2.699 0.911 2.411 weight 1.000 ! spec=HCH_al, no=1150, id=2973, vol=6.120000e+06
assign (resid 55 and name HG11) (resid 37 and name HD22) 2.537 0.805 2.305 weight 1.000 ! spec=HCH_al, no=1152, id=2975, vol=8.870000e+06
or (resid 55 and name HG11) (resid 37 and name HD21)
or (resid 55 and name HG11) (resid 37 and name HD23)
or (resid 55 and name HG11) (resid 37 and name HD12)
or (resid 55 and name HG11) (resid 37 and name HD11)
or (resid 55 and name HG11) (resid 37 and name HD13)
assign (resid 59 and name HN) (resid 56 and name HA) 2.894 1.047 2.547 weight 1.000 ! spec=HCH_al, no=1153, id=2976, vol=4.030000e+06
assign (resid 56 and name HA) (resid 59 and name HB2) 2.713 0.920 2.42 weight 1.000 ! spec=HCH_al, no=1155, id=2978, vol=5.930000e+06
assign (resid 56 and name HB2) (resid 57 and name HA) 2.654 0.881 2.381 weight 1.000 ! spec=HCH_al, no=1157, id=2980, vol=6.770000e+06
or (resid 56 and name HB1) (resid 57 and name HA)
or (resid 56 and name HB3) (resid 57 and name HA)
assign (resid 74 and name HA) (resid 74 and name HB2) 2.346 0.688 2.188 weight 1.000 ! spec=HCH_al, no=1159, id=2982, vol=1.420000e+07
or (resid 74 and name HA) (resid 74 and name HB1)
assign (resid 57 and name HG2) (resid 61 and name HN) 3.365 1.415 2.915 weight 1.000 ! spec=HCH_al, no=1163, id=2986, vol=1.630000e+06
assign (resid 57 and name HE21) (resid 57 and name HG2) 2.375 0.705 2.205 weight 1.000 ! spec=HCH_al, no=1164, id=2987, vol=1.320000e+07
assign (resid 57 and name HG2) (resid 57 and name HA) 2.856 1.020 2.52 weight 1.000 ! spec=HCH_al, no=1166, id=2989, vol=4.360000e+06
assign (resid 57 and name HG2) (resid 56 and name HB2) 3.295 1.357 2.857 weight 1.000 ! spec=HCH_al, no=1167, id=2990, vol=1.850000e+06
or (resid 57 and name HG2) (resid 56 and name HB1)
or (resid 57 and name HG2) (resid 56 and name HB3)
assign (resid 57 and name HE21) (resid 57 and name HG1) 2.277 0.648 2.148 weight 1.000 ! spec=HCH_al, no=1169, id=2992, vol=1.700000e+07
assign (resid 57 and name HG1) (resid 57 and name HA) 2.649 0.877 2.377 weight 1.000 ! spec=HCH_al, no=1173, id=2996, vol=6.850000e+06
assign (resid 57 and name HG1) (resid 57 and name HB2) 2.227 0.620 2.12 weight 1.000 ! spec=HCH_al, no=1174, id=2997, vol=1.940000e+07
assign (resid 57 and name HG1) (resid 57 and name HB1) 2.191 0.600 2.1 weight 1.000 ! spec=HCH_al, no=1175, id=2998, vol=2.140000e+07
assign (resid 57 and name HG1) (resid 60 and name HG21) 3.513 1.542 3.042 weight 1.000 ! spec=HCH_al, no=1177, id=3000, vol=1.260000e+06
or (resid 57 and name HG1) (resid 60 and name HG22)
or (resid 57 and name HG1) (resid 60 and name HG23)
assign (resid 58 and name HN) (resid 58 and name HA) 2.711 0.919 2.419 weight 1.000 ! spec=HCH_al, no=1178, id=3001, vol=5.960000e+06
assign (resid 58 and name HA) (resid 58 and name HB1) 2.735 0.935 2.435 weight 1.000 ! spec=HCH_al, no=1180, id=3003, vol=5.650000e+06
assign (resid 58 and name HA) (resid 61 and name HB1) 3.028 1.146 2.646 weight 1.000 ! spec=HCH_al, no=1181, id=3004, vol=3.070000e+06
assign (resid 58 and name HB1) (resid 16 and name HB1) 3.798 1.803 3.303 weight 1.000 ! spec=HCH_al, no=1192, id=3015, vol=7.890000e+05
assign (resid 58 and name HB1) (resid 59 and name HN) 3.090 1.193 2.693 weight 1.000 ! spec=HCH_al, no=1193, id=3016, vol=2.720000e+06
assign (resid 58 and name HB1) (resid 58 and name HD1) 2.752 0.947 2.447 weight 1.000 ! spec=HCH_al, no=1195, id=3018, vol=5.450000e+06
or (resid 58 and name HB1) (resid 58 and name HD2)
assign (resid 58 and name HB1) (resid 55 and name HG22) 3.468 1.504 3.004 weight 1.000 ! spec=HCH_al, no=1199, id=3022, vol=1.360000e+06
or (resid 58 and name HB1) (resid 55 and name HG21)
or (resid 58 and name HB1) (resid 55 and name HG23)
assign (resid 58 and name HB1) (resid 51 and name HD22) 3.379 1.427 2.927 weight 1.000 ! spec=HCH_al, no=1200, id=3023, vol=1.590000e+06
or (resid 58 and name HB1) (resid 51 and name HD21)
or (resid 58 and name HB1) (resid 51 and name HD23)
or (resid 58 and name HB1) (resid 51 and name HD12)
or (resid 58 and name HB1) (resid 51 and name HD11)
or (resid 58 and name HB1) (resid 51 and name HD13)
assign (resid 59 and name HN) (resid 59 and name HA) 2.630 0.865 2.365 weight 1.000 ! spec=HCH_al, no=1203, id=3026, vol=7.150000e+06
assign (resid 62 and name HN) (resid 59 and name HA) 3.226 1.301 2.801 weight 1.000 ! spec=HCH_al, no=1204, id=3027, vol=2.100000e+06
assign (resid 60 and name HN) (resid 59 and name HA) 3.121 1.218 2.718 weight 1.000 ! spec=HCH_al, no=1205, id=3028, vol=2.560000e+06
assign (resid 63 and name HN) (resid 59 and name HA) 3.393 1.439 2.939 weight 1.000 ! spec=HCH_al, no=1207, id=3030, vol=1.550000e+06
assign (resid 59 and name HA) (resid 33 and name HE1) 2.971 1.104 2.604 weight 1.000 ! spec=HCH_al, no=1208, id=3031, vol=3.440000e+06
or (resid 59 and name HA) (resid 33 and name HE2)
assign (resid 59 and name HA) (resid 60 and name HA) 3.494 1.526 3.026 weight 1.000 ! spec=HCH_al, no=1211, id=3034, vol=1.300000e+06
assign (resid 59 and name HA) (resid 59 and name HB2) 2.663 0.886 2.386 weight 1.000 ! spec=HCH_al, no=1213, id=3035, vol=6.640000e+06
assign (resid 59 and name HA) (resid 59 and name HB1) 2.590 0.839 2.339 weight 1.000 ! spec=HCH_al, no=1214, id=3036, vol=7.840000e+06
assign (resid 59 and name HA) (resid 55 and name HG22) 3.910 1.911 3.411 weight 1.000 ! spec=HCH_al, no=1215, id=3037, vol=6.620000e+05
or (resid 59 and name HA) (resid 55 and name HG21)
or (resid 59 and name HA) (resid 55 and name HG23)
assign (resid 59 and name HA) (resid 62 and name HG) 3.329 1.385 2.885 weight 1.000 ! spec=HCH_al, no=1217, id=3039, vol=1.740000e+06
assign (resid 59 and name HA) (resid 62 and name HB1) 3.221 1.297 2.797 weight 1.000 ! spec=HCH_al, no=1218, id=3040, vol=2.120000e+06
assign (resid 59 and name HN) (resid 59 and name HB2) 2.633 0.867 2.367 weight 1.000 ! spec=HCH_al, no=1220, id=3042, vol=7.100000e+06
assign (resid 60 and name HN) (resid 59 and name HB2) 2.889 1.043 2.543 weight 1.000 ! spec=HCH_al, no=1221, id=3043, vol=4.070000e+06
assign (resid 59 and name HB2) (resid 59 and name HE1) 3.468 1.504 3.004 weight 1.000 ! spec=HCH_al, no=1222, id=3044, vol=1.360000e+06
or (resid 59 and name HB2) (resid 59 and name HE2)
assign (resid 59 and name HB2) (resid 59 and name HB1) 2.441 0.745 2.245 weight 1.000 ! spec=HCH_al, no=1225, id=3047, vol=1.120000e+07
assign (resid 59 and name HN) (resid 59 and name HB1) 2.665 0.888 2.388 weight 1.000 ! spec=HCH_al, no=1227, id=3049, vol=6.610000e+06
assign (resid 60 and name HN) (resid 59 and name HB1) 3.047 1.160 2.66 weight 1.000 ! spec=HCH_al, no=1228, id=3050, vol=2.960000e+06
assign (resid 59 and name HB1) (resid 59 and name HE1) 3.345 1.399 2.899 weight 1.000 ! spec=HCH_al, no=1230, id=3052, vol=1.690000e+06
or (resid 59 and name HB1) (resid 59 and name HE2)
assign (resid 59 and name HB1) (resid 56 and name HB2) 3.358 1.410 2.91 weight 1.000 ! spec=HCH_al, no=1235, id=3057, vol=1.650000e+06
or (resid 59 and name HB1) (resid 56 and name HB1)
or (resid 59 and name HB1) (resid 56 and name HB3)
assign (resid 55 and name HG22) (resid 59 and name HB1) 3.513 1.542 3.042 weight 1.000 ! spec=HCH_al, no=1236, id=3058, vol=1.260000e+06
or (resid 55 and name HG21) (resid 59 and name HB1)
or (resid 55 and name HG23) (resid 59 and name HB1)
assign (resid 59 and name HB1) (resid 62 and name HD22) 3.684 1.696 3.196 weight 1.000 ! spec=HCH_al, no=1237, id=3059, vol=9.470000e+05
or (resid 59 and name HB1) (resid 62 and name HD21)
or (resid 59 and name HB1) (resid 62 and name HD23)
assign (resid 61 and name HN) (resid 60 and name HA) 3.057 1.168 2.668 weight 1.000 ! spec=HCH_al, no=1238, id=3060, vol=2.900000e+06
assign (resid 60 and name HN) (resid 60 and name HA) 2.598 0.844 2.344 weight 1.000 ! spec=HCH_al, no=1239, id=3061, vol=7.690000e+06
assign (resid 63 and name HN) (resid 60 and name HA) 3.127 1.223 2.723 weight 1.000 ! spec=HCH_al, no=1241, id=3063, vol=2.530000e+06
assign (resid 55 and name HA) (resid 59 and name HE1) 3.748 1.756 3.256 weight 1.000 ! spec=HCH_al, no=1242, id=3064, vol=8.540000e+05
or (resid 55 and name HA) (resid 59 and name HE2)
assign (resid 60 and name HA) (resid 60 and name HB) 2.863 1.024 2.524 weight 1.000 ! spec=HCH_al, no=1244, id=3066, vol=4.300000e+06
assign (resid 60 and name HA) (resid 63 and name HB2) 2.861 1.023 2.523 weight 1.000 ! spec=HCH_al, no=1246, id=3067, vol=4.320000e+06
assign (resid 60 and name HA) (resid 63 and name HB1) 3.006 1.129 2.629 weight 1.000 ! spec=HCH_al, no=1247, id=3068, vol=3.210000e+06
assign (resid 61 and name HN) (resid 60 and name HB) 2.648 0.877 2.377 weight 1.000 ! spec=HCH_al, no=1249, id=3070, vol=6.860000e+06
assign (resid 60 and name HN) (resid 60 and name HB) 2.558 0.818 2.318 weight 1.000 ! spec=HCH_al, no=1250, id=3071, vol=8.440000e+06
assign (resid 61 and name HA) (resid 60 and name HG21) 2.825 0.997 2.497 weight 1.000 ! spec=HCH_al, no=1253, id=3074, vol=4.660000e+06
or (resid 61 and name HA) (resid 60 and name HG22)
or (resid 61 and name HA) (resid 60 and name HG23)
assign (resid 62 and name HN) (resid 62 and name HA) 2.636 0.869 2.369 weight 1.000 ! spec=HCH_al, no=1256, id=3076, vol=7.050000e+06
assign (resid 62 and name HA) (resid 68 and name HD1) 2.872 1.031 2.531 weight 1.000 ! spec=HCH_al, no=1257, id=3077, vol=4.220000e+06
or (resid 62 and name HA) (resid 68 and name HD2)
assign (resid 63 and name HN) (resid 62 and name HA) 2.990 1.118 2.618 weight 1.000 ! spec=HCH_al, no=1258, id=3078, vol=3.310000e+06
assign (resid 62 and name HA) (resid 61 and name HB2) 3.275 1.340 2.84 weight 1.000 ! spec=HCH_al, no=1260, id=3079, vol=1.920000e+06
assign (resid 62 and name HA) (resid 17 and name HG22) 2.684 0.901 2.401 weight 1.000 ! spec=HCH_al, no=1261, id=3080, vol=6.330000e+06
or (resid 62 and name HA) (resid 17 and name HG21)
or (resid 62 and name HA) (resid 17 and name HG23)
or (resid 62 and name HA) (resid 17 and name HG12)
or (resid 62 and name HA) (resid 17 and name HG11)
or (resid 62 and name HA) (resid 17 and name HG13)
assign (resid 62 and name HA) (resid 62 and name HB2) 2.724 0.928 2.428 weight 1.000 ! spec=HCH_al, no=1262, id=3081, vol=5.790000e+06
assign (resid 62 and name HA) (resid 62 and name HG) 2.925 1.069 2.569 weight 1.000 ! spec=HCH_al, no=1263, id=3082, vol=3.780000e+06
assign (resid 62 and name HA) (resid 62 and name HB1) 2.707 0.916 2.416 weight 1.000 ! spec=HCH_al, no=1264, id=3083, vol=6.010000e+06
assign (resid 63 and name HN) (resid 62 and name HG) 3.610 1.629 3.129 weight 1.000 ! spec=HCH_al, no=1268, id=3087, vol=1.070000e+06
assign (resid 62 and name HG) (resid 58 and name HE1) 3.577 1.599 3.099 weight 1.000 ! spec=HCH_al, no=1269, id=3088, vol=1.130000e+06
or (resid 62 and name HG) (resid 58 and name HE2)
assign (resid 62 and name HG) (resid 17 and name HG22) 3.184 1.268 2.768 weight 1.000 ! spec=HCH_al, no=1272, id=3091, vol=2.270000e+06
or (resid 62 and name HG) (resid 17 and name HG21)
or (resid 62 and name HG) (resid 17 and name HG23)
or (resid 62 and name HG) (resid 17 and name HG12)
or (resid 62 and name HG) (resid 17 and name HG11)
or (resid 62 and name HG) (resid 17 and name HG13)
assign (resid 62 and name HD12) (resid 62 and name HB2) 2.343 0.686 2.186 weight 1.000 ! spec=HCH_al, no=1275, id=3094, vol=1.430000e+07
or (resid 62 and name HD11) (resid 62 and name HB2)
or (resid 62 and name HD13) (resid 62 and name HB2)
assign (resid 62 and name HD22) (resid 62 and name HB2) 2.263 0.640 2.14 weight 1.000 ! spec=HCH_al, no=1276, id=3095, vol=1.760000e+07
or (resid 62 and name HD21) (resid 62 and name HB2)
or (resid 62 and name HD23) (resid 62 and name HB2)
assign (resid 62 and name HD22) (resid 62 and name HB1) 2.366 0.700 2.2 weight 1.000 ! spec=HCH_al, no=1277, id=3096, vol=1.350000e+07
or (resid 62 and name HD21) (resid 62 and name HB1)
or (resid 62 and name HD23) (resid 62 and name HB1)
assign (resid 63 and name HN) (resid 63 and name HA) 2.505 0.785 2.285 weight 1.000 ! spec=HCH_al, no=1278, id=3097, vol=9.570000e+06
assign (resid 63 and name HA) (resid 76 and name HH2) 2.487 0.773 2.273 weight 1.000 ! spec=HCH_al, no=1279, id=3098, vol=1.000000e+07
assign (resid 63 and name HA) (resid 63 and name HB2) 2.545 0.810 2.31 weight 1.000 ! spec=HCH_al, no=1280, id=3099, vol=8.710000e+06
assign (resid 63 and name HA) (resid 63 and name HB1) 2.444 0.747 2.247 weight 1.000 ! spec=HCH_al, no=1281, id=3100, vol=1.110000e+07
assign (resid 64 and name HN) (resid 64 and name HA) 2.600 0.845 2.345 weight 1.000 ! spec=HCH_al, no=1284, id=3102, vol=7.660000e+06
assign (resid 64 and name HA) (resid 63 and name HB1) 3.435 1.475 2.975 weight 1.000 ! spec=HCH_al, no=1286, id=3104, vol=1.440000e+06
assign (resid 64 and name HA) (resid 64 and name HB) 2.300 0.661 2.161 weight 1.000 ! spec=HCH_al, no=1287, id=3105, vol=1.600000e+07
assign (resid 64 and name HA) (resid 64 and name HG11) 2.813 0.989 2.489 weight 1.000 ! spec=HCH_al, no=1288, id=3106, vol=4.780000e+06
assign (resid 64 and name HA) (resid 64 and name HD12) 2.831 1.002 2.502 weight 1.000 ! spec=HCH_al, no=1290, id=3108, vol=4.600000e+06
or (resid 64 and name HA) (resid 64 and name HD11)
or (resid 64 and name HA) (resid 64 and name HD13)
assign (resid 64 and name HN) (resid 64 and name HB) 2.814 0.990 2.49 weight 1.000 ! spec=HCH_al, no=1292, id=3110, vol=4.770000e+06
assign (resid 64 and name HB) (resid 63 and name HB2) 4.218 2.224 3.724 weight 1.000 ! spec=HCH_al, no=1294, id=3112, vol=4.200000e+05
assign (resid 64 and name HB) (resid 64 and name HG12) 2.475 0.766 2.266 weight 1.000 ! spec=HCH_al, no=1295, id=3113, vol=1.030000e+07
assign (resid 64 and name HB) (resid 60 and name HG21) 3.322 1.380 2.88 weight 1.000 ! spec=HCH_al, no=1296, id=3114, vol=1.760000e+06
or (resid 64 and name HB) (resid 60 and name HG22)
or (resid 64 and name HB) (resid 60 and name HG23)
assign (resid 64 and name HG22) (resid 64 and name HG11) 1.969 0.485 1.985 weight 1.000 ! spec=HCH_al, no=1299, id=3117, vol=4.060000e+07
or (resid 64 and name HG21) (resid 64 and name HG11)
or (resid 64 and name HG23) (resid 64 and name HG11)
assign (resid 64 and name HG22) (resid 60 and name HG21) 2.021 0.511 2.011 weight 1.000 ! spec=HCH_al, no=1300, id=3118, vol=3.470000e+07
or (resid 64 and name HG22) (resid 60 and name HG22)
or (resid 64 and name HG22) (resid 60 and name HG23)
or (resid 64 and name HG21) (resid 60 and name HG21)
or (resid 64 and name HG21) (resid 60 and name HG22)
or (resid 64 and name HG21) (resid 60 and name HG23)
or (resid 64 and name HG23) (resid 60 and name HG21)
or (resid 64 and name HG23) (resid 60 and name HG22)
or (resid 64 and name HG23) (resid 60 and name HG23)
assign (resid 65 and name HN) (resid 65 and name HA) 3.025 1.144 2.644 weight 1.000 ! spec=HCH_al, no=1301, id=3119, vol=3.090000e+06
assign (resid 63 and name HA) (resid 64 and name HN) 2.938 1.079 2.579 weight 1.000 ! spec=HCH_al, no=1302, id=3120, vol=3.680000e+06
assign (resid 66 and name HA1) (resid 66 and name HN) 3.184 1.268 2.768 weight 1.000 ! spec=HCH_al, no=1303, id=3121, vol=2.270000e+06
assign (resid 67 and name HN) (resid 66 and name HA2) 3.513 1.542 3.042 weight 1.000 ! spec=HCH_al, no=1304, id=3122, vol=1.260000e+06
assign (resid 66 and name HA2) (resid 66 and name HN) 2.782 0.967 2.467 weight 1.000 ! spec=HCH_al, no=1305, id=3123, vol=5.110000e+06
assign (resid 66 and name HA2) (resid 66 and name HA1) 2.873 1.032 2.532 weight 1.000 ! spec=HCH_al, no=1306, id=3124, vol=4.210000e+06
assign (resid 69 and name HN) (resid 68 and name HA) 2.519 0.793 2.293 weight 1.000 ! spec=HCH_al, no=1311, id=3126, vol=9.260000e+06
assign (resid 68 and name HN) (resid 68 and name HA) 2.956 1.092 2.592 weight 1.000 ! spec=HCH_al, no=1312, id=3127, vol=3.550000e+06
assign (resid 79 and name HN) (resid 68 and name HA) 2.786 0.970 2.47 weight 1.000 ! spec=HCH_al, no=1313, id=3128, vol=5.060000e+06
assign (resid 68 and name HA) (resid 68 and name HB1) 2.824 0.997 2.497 weight 1.000 ! spec=HCH_al, no=1318, id=3131, vol=4.670000e+06
assign (resid 68 and name HA) (resid 79 and name HB1) 3.045 1.159 2.659 weight 1.000 ! spec=HCH_al, no=1319, id=3132, vol=2.970000e+06
assign (resid 68 and name HA) (resid 69 and name HB2) 3.239 1.311 2.811 weight 1.000 ! spec=HCH_al, no=1320, id=3133, vol=2.050000e+06
assign (resid 68 and name HA) (resid 78 and name HB2) 3.447 1.486 2.986 weight 1.000 ! spec=HCH_al, no=1321, id=3134, vol=1.410000e+06
assign (resid 68 and name HA) (resid 62 and name HD12) 3.136 1.229 2.729 weight 1.000 ! spec=HCH_al, no=1323, id=3136, vol=2.490000e+06
or (resid 68 and name HA) (resid 62 and name HD11)
or (resid 68 and name HA) (resid 62 and name HD13)
assign (resid 69 and name HA) (resid 69 and name HB2) 2.553 0.815 2.315 weight 1.000 ! spec=HCH_al, no=1327, id=3139, vol=8.550000e+06
assign (resid 69 and name HB2) (resid 69 and name HN) 2.830 1.001 2.501 weight 1.000 ! spec=HCH_al, no=1330, id=3142, vol=4.610000e+06
assign (resid 69 and name HB2) (resid 77 and name HN) 3.513 1.542 3.042 weight 1.000 ! spec=HCH_al, no=1331, id=3143, vol=1.260000e+06
assign (resid 69 and name HB2) (resid 82 and name HD1) 3.599 1.619 3.119 weight 1.000 ! spec=HCH_al, no=1332, id=3144, vol=1.090000e+06
or (resid 69 and name HB2) (resid 82 and name HD2)
assign (resid 69 and name HB2) (resid 82 and name HE1) 3.499 1.530 3.03 weight 1.000 ! spec=HCH_al, no=1333, id=3145, vol=1.290000e+06
or (resid 69 and name HB2) (resid 82 and name HE2)
assign (resid 69 and name HB2) (resid 79 and name HA) 3.086 1.190 2.69 weight 1.000 ! spec=HCH_al, no=1336, id=3148, vol=2.740000e+06
assign (resid 69 and name HB2) (resid 79 and name HG2) 3.301 1.362 2.862 weight 1.000 ! spec=HCH_al, no=1338, id=3150, vol=1.830000e+06
assign (resid 69 and name HB2) (resid 69 and name HB1) 2.272 0.645 2.145 weight 1.000 ! spec=HCH_al, no=1339, id=3151, vol=1.720000e+07
assign (resid 69 and name HB2) (resid 69 and name HD12) 2.841 1.009 2.509 weight 1.000 ! spec=HCH_al, no=1340, id=3152, vol=4.500000e+06
or (resid 69 and name HB2) (resid 69 and name HD11)
or (resid 69 and name HB2) (resid 69 and name HD13)
assign (resid 69 and name HB1) (resid 79 and name HN) 3.026 1.145 2.645 weight 1.000 ! spec=HCH_al, no=1343, id=3155, vol=3.080000e+06
assign (resid 69 and name HB1) (resid 68 and name HA) 4.134 2.137 3.637 weight 1.000 ! spec=HCH_al, no=1345, id=3157, vol=4.740000e+05
assign (resid 69 and name HB1) (resid 69 and name HA) 2.902 1.053 2.553 weight 1.000 ! spec=HCH_al, no=1346, id=3158, vol=3.960000e+06
assign (resid 69 and name HB1) (resid 79 and name HG2) 3.379 1.427 2.927 weight 1.000 ! spec=HCH_al, no=1350, id=3162, vol=1.590000e+06
assign (resid 69 and name HB1) (resid 69 and name HD12) 2.636 0.868 2.368 weight 1.000 ! spec=HCH_al, no=1353, id=3164, vol=7.060000e+06
or (resid 69 and name HB1) (resid 69 and name HD11)
or (resid 69 and name HB1) (resid 69 and name HD13)
assign (resid 69 and name HB1) (resid 69 and name HD22) 2.602 0.846 2.346 weight 1.000 ! spec=HCH_al, no=1354, id=3165, vol=7.630000e+06
or (resid 69 and name HB1) (resid 69 and name HD21)
or (resid 69 and name HB1) (resid 69 and name HD23)
assign (resid 69 and name HG) (resid 69 and name HN) 3.692 1.704 3.204 weight 1.000 ! spec=HCH_al, no=1355, id=3166, vol=9.350000e+05
assign (resid 69 and name HG) (resid 69 and name HA) 2.971 1.104 2.604 weight 1.000 ! spec=HCH_al, no=1356, id=3167, vol=3.440000e+06
assign (resid 69 and name HD22) (resid 82 and name HN) 3.014 1.135 2.635 weight 1.000 ! spec=HCH_al, no=1357, id=3168, vol=3.160000e+06
or (resid 69 and name HD21) (resid 82 and name HN)
or (resid 69 and name HD23) (resid 82 and name HN)
assign (resid 70 and name HA) (resid 77 and name HN) 3.213 1.291 2.791 weight 1.000 ! spec=HCH_al, no=1359, id=3170, vol=2.150000e+06
assign (resid 71 and name HN) (resid 70 and name HA) 2.416 0.730 2.23 weight 1.000 ! spec=HCH_al, no=1360, id=3171, vol=1.190000e+07
assign (resid 70 and name HA) (resid 76 and name HE3) 3.567 1.590 3.09 weight 1.000 ! spec=HCH_al, no=1361, id=3172, vol=1.150000e+06
assign (resid 70 and name HA) (resid 76 and name HD1) 3.746 1.754 3.254 weight 1.000 ! spec=HCH_al, no=1362, id=3173, vol=8.560000e+05
assign (resid 70 and name HA) (resid 71 and name HG) 3.136 1.229 2.729 weight 1.000 ! spec=HCH_al, no=1367, id=3177, vol=2.490000e+06
assign (resid 70 and name HA) (resid 71 and name HD12) 3.275 1.340 2.84 weight 1.000 ! spec=HCH_al, no=1369, id=3179, vol=1.920000e+06
or (resid 70 and name HA) (resid 71 and name HD11)
or (resid 70 and name HA) (resid 71 and name HD13)
assign (resid 76 and name HE1) (resid 70 and name HB2) 2.852 1.017 2.517 weight 1.000 ! spec=HCH_al, no=1371, id=3181, vol=4.400000e+06
or (resid 76 and name HE1) (resid 70 and name HB1)
or (resid 76 and name HE1) (resid 70 and name HB3)
assign (resid 70 and name HB2) (resid 70 and name HN) 1.996 0.498 1.998 weight 1.000 ! spec=HCH_al, no=1373, id=3183, vol=3.740000e+07
or (resid 70 and name HB1) (resid 70 and name HN)
or (resid 70 and name HB3) (resid 70 and name HN)
assign (resid 70 and name HB2) (resid 76 and name HE3) 2.981 1.111 2.611 weight 1.000 ! spec=HCH_al, no=1374, id=3184, vol=3.370000e+06
or (resid 70 and name HB1) (resid 76 and name HE3)
or (resid 70 and name HB3) (resid 76 and name HE3)
assign (resid 70 and name HB2) (resid 76 and name HZ2) 2.587 0.837 2.337 weight 1.000 ! spec=HCH_al, no=1376, id=3186, vol=7.890000e+06
or (resid 70 and name HB1) (resid 76 and name HZ2)
or (resid 70 and name HB3) (resid 76 and name HZ2)
assign (resid 70 and name HB2) (resid 76 and name HA) 2.816 0.991 2.491 weight 1.000 ! spec=HCH_al, no=1378, id=3188, vol=4.750000e+06
or (resid 70 and name HB1) (resid 76 and name HA)
or (resid 70 and name HB3) (resid 76 and name HA)
assign (resid 70 and name HB2) (resid 74 and name HA) 3.184 1.268 2.768 weight 1.000 ! spec=HCH_al, no=1381, id=3191, vol=2.270000e+06
or (resid 70 and name HB1) (resid 74 and name HA)
or (resid 70 and name HB3) (resid 74 and name HA)
assign (resid 70 and name HA) (resid 70 and name HB2) 2.063 0.532 2.032 weight 1.000 ! spec=HCH_al, no=1382, id=3192, vol=3.070000e+07
or (resid 70 and name HA) (resid 70 and name HB1)
or (resid 70 and name HA) (resid 70 and name HB3)
assign (resid 71 and name HA) (resid 72 and name HN) 2.902 1.053 2.553 weight 1.000 ! spec=HCH_al, no=1387, id=3197, vol=3.960000e+06
assign (resid 71 and name HA) (resid 71 and name HN) 2.876 1.034 2.534 weight 1.000 ! spec=HCH_al, no=1388, id=3198, vol=4.180000e+06
assign (resid 71 and name HA) (resid 71 and name HB1) 2.956 1.092 2.592 weight 1.000 ! spec=HCH_al, no=1390, id=3200, vol=3.550000e+06
assign (resid 71 and name HA) (resid 69 and name HG) 3.588 1.609 3.109 weight 1.000 ! spec=HCH_al, no=1392, id=3202, vol=1.110000e+06
assign (resid 71 and name HN) (resid 71 and name HG) 2.710 0.918 2.418 weight 1.000 ! spec=HCH_al, no=1395, id=3205, vol=5.980000e+06
assign (resid 71 and name HG) (resid 76 and name HA) 3.258 1.327 2.827 weight 1.000 ! spec=HCH_al, no=1396, id=3206, vol=1.980000e+06
assign (resid 71 and name HA) (resid 71 and name HG) 2.617 0.856 2.356 weight 1.000 ! spec=HCH_al, no=1397, id=3207, vol=7.370000e+06
assign (resid 71 and name HG) (resid 70 and name HB2) 3.486 1.519 3.019 weight 1.000 ! spec=HCH_al, no=1399, id=3209, vol=1.320000e+06
or (resid 71 and name HG) (resid 70 and name HB1)
or (resid 71 and name HG) (resid 70 and name HB3)
assign (resid 71 and name HD12) (resid 71 and name HB2) 2.413 0.728 2.228 weight 1.000 ! spec=HCH_al, no=1401, id=3211, vol=1.200000e+07
or (resid 71 and name HD11) (resid 71 and name HB2)
or (resid 71 and name HD13) (resid 71 and name HB2)
assign (resid 80 and name HN) (resid 80 and name HA) 2.307 0.665 2.165 weight 1.000 ! spec=HCH_al, no=1402, id=3212, vol=1.570000e+07
assign (resid 82 and name HN) (resid 80 and name HA) 3.199 1.279 2.779 weight 1.000 ! spec=HCH_al, no=1403, id=3213, vol=2.210000e+06
assign (resid 72 and name HB2) (resid 72 and name HA) 2.121 0.562 2.062 weight 1.000 ! spec=HCH_al, no=1406, id=3216, vol=2.600000e+07
assign (resid 72 and name HB1) (resid 72 and name HN) 3.054 1.165 2.665 weight 1.000 ! spec=HCH_al, no=1407, id=3217, vol=2.920000e+06
assign (resid 73 and name HA) (resid 73 and name HN) 2.577 0.830 2.33 weight 1.000 ! spec=HCH_al, no=1411, id=3221, vol=8.090000e+06
assign (resid 73 and name HA) (resid 73 and name HB2) 2.330 0.678 2.178 weight 1.000 ! spec=HCH_al, no=1412, id=3222, vol=1.480000e+07
assign (resid 73 and name HA) (resid 73 and name HB1) 2.577 0.830 2.33 weight 1.000 ! spec=HCH_al, no=1413, id=3223, vol=8.090000e+06
assign (resid 73 and name HB2) (resid 73 and name HB1) 2.034 0.517 2.017 weight 1.000 ! spec=HCH_al, no=1419, id=3229, vol=3.340000e+07
assign (resid 75 and name HN) (resid 74 and name HG2) 3.345 1.399 2.899 weight 1.000 ! spec=HCH_al, no=1424, id=3234, vol=1.690000e+06
or (resid 75 and name HN) (resid 74 and name HG1)
assign (resid 32 and name HA) (resid 75 and name HA) 2.630 0.865 2.365 weight 1.000 ! spec=HCH_al, no=1426, id=3236, vol=7.150000e+06
assign (resid 75 and name HA) (resid 32 and name HB1) 3.386 1.433 2.933 weight 1.000 ! spec=HCH_al, no=1427, id=3237, vol=1.570000e+06
assign (resid 74 and name HN) (resid 75 and name HG21) 2.963 1.097 2.597 weight 1.000 ! spec=HCH_al, no=1448, id=3241, vol=3.500000e+06
or (resid 74 and name HN) (resid 75 and name HG22)
or (resid 74 and name HN) (resid 75 and name HG23)
assign (resid 32 and name HA) (resid 75 and name HG21) 2.090 0.546 2.046 weight 1.000 ! spec=HCH_al, no=1450, id=3243, vol=2.840000e+07
or (resid 32 and name HA) (resid 75 and name HG22)
or (resid 32 and name HA) (resid 75 and name HG23)
assign (resid 75 and name HG21) (resid 75 and name HB) 1.992 0.496 1.996 weight 1.000 ! spec=HCH_al, no=1452, id=3245, vol=3.790000e+07
or (resid 75 and name HG22) (resid 75 and name HB)
or (resid 75 and name HG23) (resid 75 and name HB)
assign (resid 75 and name HG21) (resid 32 and name HB1) 2.084 0.543 2.043 weight 1.000 ! spec=HCH_al, no=1453, id=3246, vol=2.890000e+07
or (resid 75 and name HG22) (resid 32 and name HB1)
or (resid 75 and name HG23) (resid 32 and name HB1)
assign (resid 76 and name HA) (resid 77 and name HN) 2.390 0.714 2.214 weight 1.000 ! spec=HCH_al, no=1457, id=3249, vol=1.270000e+07
assign (resid 71 and name HN) (resid 76 and name HA) 2.865 1.026 2.526 weight 1.000 ! spec=HCH_al, no=1458, id=3250, vol=4.280000e+06
assign (resid 70 and name HA) (resid 76 and name HA) 2.712 0.919 2.419 weight 1.000 ! spec=HCH_al, no=1461, id=3252, vol=5.950000e+06
assign (resid 76 and name HA) (resid 76 and name HB2) 2.655 0.881 2.381 weight 1.000 ! spec=HCH_al, no=1462, id=3253, vol=6.760000e+06
or (resid 76 and name HA) (resid 76 and name HB1)
assign (resid 76 and name HB2) (resid 68 and name HZ) 3.390 1.436 2.936 weight 1.000 ! spec=HCH_al, no=1466, id=3257, vol=1.560000e+06
or (resid 76 and name HB1) (resid 68 and name HZ)
assign (resid 76 and name HB2) (resid 68 and name HD1) 3.136 1.229 2.729 weight 1.000 ! spec=HCH_al, no=1468, id=3259, vol=2.490000e+06
or (resid 76 and name HB2) (resid 68 and name HD2)
or (resid 76 and name HB1) (resid 68 and name HD1)
or (resid 76 and name HB1) (resid 68 and name HD2)
assign (resid 76 and name HB2) (resid 36 and name HD22) 3.045 1.159 2.659 weight 1.000 ! spec=HCH_al, no=1472, id=3262, vol=2.970000e+06
or (resid 76 and name HB2) (resid 36 and name HD21)
or (resid 76 and name HB2) (resid 36 and name HD23)
or (resid 76 and name HB2) (resid 36 and name HD12)
or (resid 76 and name HB2) (resid 36 and name HD11)
or (resid 76 and name HB2) (resid 36 and name HD13)
or (resid 76 and name HB1) (resid 36 and name HD22)
or (resid 76 and name HB1) (resid 36 and name HD21)
or (resid 76 and name HB1) (resid 36 and name HD23)
or (resid 76 and name HB1) (resid 36 and name HD12)
or (resid 76 and name HB1) (resid 36 and name HD11)
or (resid 76 and name HB1) (resid 36 and name HD13)
assign (resid 76 and name HB2) (resid 70 and name HB2) 4.322 2.335 3.835 weight 1.000 ! spec=HCH_al, no=1473, id=3263, vol=3.630000e+05
or (resid 76 and name HB2) (resid 70 and name HB1)
or (resid 76 and name HB2) (resid 70 and name HB3)
or (resid 76 and name HB1) (resid 70 and name HB2)
or (resid 76 and name HB1) (resid 70 and name HB1)
or (resid 76 and name HB1) (resid 70 and name HB3)
assign (resid 79 and name HN) (resid 78 and name HA) 2.593 0.841 2.341 weight 1.000 ! spec=HCH_al, no=1474, id=3264, vol=7.780000e+06
assign (resid 78 and name HA) (resid 68 and name HA) 2.777 0.964 2.464 weight 1.000 ! spec=HCH_al, no=1476, id=3266, vol=5.160000e+06
assign (resid 78 and name HN) (resid 78 and name HA) 3.047 1.160 2.66 weight 1.000 ! spec=HCH_al, no=1477, id=3267, vol=2.960000e+06
assign (resid 78 and name HA) (resid 79 and name HA) 3.313 1.372 2.872 weight 1.000 ! spec=HCH_al, no=1478, id=3268, vol=1.790000e+06
assign (resid 78 and name HA) (resid 79 and name HB2) 3.322 1.380 2.88 weight 1.000 ! spec=HCH_al, no=1479, id=3269, vol=1.760000e+06
assign (resid 78 and name HA) (resid 78 and name HD12) 3.090 1.193 2.693 weight 1.000 ! spec=HCH_al, no=1482, id=3272, vol=2.720000e+06
or (resid 78 and name HA) (resid 78 and name HD11)
or (resid 78 and name HA) (resid 78 and name HD13)
assign (resid 78 and name HA) (resid 78 and name HG) 3.369 1.418 2.918 weight 1.000 ! spec=HCH_al, no=1483, id=3273, vol=1.620000e+06
assign (resid 78 and name HA) (resid 78 and name HB1) 3.231 1.305 2.805 weight 1.000 ! spec=HCH_al, no=1485, id=3275, vol=2.080000e+06
assign (resid 25 and name HN) (resid 78 and name HD12) 2.433 0.740 2.24 weight 1.000 ! spec=HCH_al, no=1490, id=3280, vol=1.140000e+07
or (resid 25 and name HN) (resid 78 and name HD11)
or (resid 25 and name HN) (resid 78 and name HD13)
assign (resid 78 and name HD12) (resid 81 and name HZ2) 2.505 0.785 2.285 weight 1.000 ! spec=HCH_al, no=1491, id=3281, vol=9.570000e+06
or (resid 78 and name HD11) (resid 81 and name HZ2)
or (resid 78 and name HD13) (resid 81 and name HZ2)
assign (resid 78 and name HD12) (resid 21 and name HD2) 2.963 1.097 2.597 weight 1.000 ! spec=HCH_al, no=1492, id=3282, vol=3.500000e+06
or (resid 78 and name HD11) (resid 21 and name HD2)
or (resid 78 and name HD13) (resid 21 and name HD2)
assign (resid 78 and name HD12) (resid 68 and name HA) 3.499 1.530 3.03 weight 1.000 ! spec=HCH_al, no=1493, id=3283, vol=1.290000e+06
or (resid 78 and name HD11) (resid 68 and name HA)
or (resid 78 and name HD13) (resid 68 and name HA)
assign (resid 24 and name HB2) (resid 78 and name HD12) 2.471 0.763 2.263 weight 1.000 ! spec=HCH_al, no=1495, id=3285, vol=1.040000e+07
or (resid 24 and name HB2) (resid 78 and name HD11)
or (resid 24 and name HB2) (resid 78 and name HD13)
assign (resid 24 and name HB1) (resid 78 and name HD12) 2.491 0.776 2.276 weight 1.000 ! spec=HCH_al, no=1496, id=3286, vol=9.910000e+06
or (resid 24 and name HB1) (resid 78 and name HD11)
or (resid 24 and name HB1) (resid 78 and name HD13)
assign (resid 25 and name HG2) (resid 78 and name HD12) 2.692 0.906 2.406 weight 1.000 ! spec=HCH_al, no=1497, id=3287, vol=6.220000e+06
or (resid 25 and name HG2) (resid 78 and name HD11)
or (resid 25 and name HG2) (resid 78 and name HD13)
or (resid 25 and name HG1) (resid 78 and name HD12)
or (resid 25 and name HG1) (resid 78 and name HD11)
or (resid 25 and name HG1) (resid 78 and name HD13)
assign (resid 78 and name HD12) (resid 25 and name HB2) 2.312 0.668 2.168 weight 1.000 ! spec=HCH_al, no=1498, id=3288, vol=1.550000e+07
or (resid 78 and name HD12) (resid 25 and name HB1)
or (resid 78 and name HD11) (resid 25 and name HB2)
or (resid 78 and name HD11) (resid 25 and name HB1)
or (resid 78 and name HD13) (resid 25 and name HB2)
or (resid 78 and name HD13) (resid 25 and name HB1)
assign (resid 21 and name HN) (resid 78 and name HD22) 3.189 1.271 2.771 weight 1.000 ! spec=HCH_al, no=1500, id=3289, vol=2.250000e+06
or (resid 21 and name HN) (resid 78 and name HD21)
or (resid 21 and name HN) (resid 78 and name HD23)
assign (resid 79 and name HN) (resid 78 and name HD22) 2.413 0.728 2.228 weight 1.000 ! spec=HCH_al, no=1501, id=3290, vol=1.200000e+07
or (resid 79 and name HN) (resid 78 and name HD21)
or (resid 79 and name HN) (resid 78 and name HD23)
assign (resid 78 and name HD22) (resid 68 and name HZ) 2.501 0.782 2.282 weight 1.000 ! spec=HCH_al, no=1502, id=3291, vol=9.660000e+06
or (resid 78 and name HD21) (resid 68 and name HZ)
or (resid 78 and name HD23) (resid 68 and name HZ)
assign (resid 78 and name HD22) (resid 68 and name HD1) 2.471 0.763 2.263 weight 1.000 ! spec=HCH_al, no=1503, id=3292, vol=1.040000e+07
or (resid 78 and name HD22) (resid 68 and name HD2)
or (resid 78 and name HD21) (resid 68 and name HD1)
or (resid 78 and name HD21) (resid 68 and name HD2)
or (resid 78 and name HD23) (resid 68 and name HD1)
or (resid 78 and name HD23) (resid 68 and name HD2)
assign (resid 78 and name HD22) (resid 68 and name HE1) 2.657 0.883 2.383 weight 1.000 ! spec=HCH_al, no=1504, id=3293, vol=6.720000e+06
or (resid 78 and name HD22) (resid 68 and name HE2)
or (resid 78 and name HD21) (resid 68 and name HE1)
or (resid 78 and name HD21) (resid 68 and name HE2)
or (resid 78 and name HD23) (resid 68 and name HE1)
or (resid 78 and name HD23) (resid 68 and name HE2)
assign (resid 78 and name HD22) (resid 21 and name HD2) 2.455 0.754 2.254 weight 1.000 ! spec=HCH_al, no=1505, id=3294, vol=1.080000e+07
or (resid 78 and name HD21) (resid 21 and name HD2)
or (resid 78 and name HD23) (resid 21 and name HD2)
assign (resid 68 and name HA) (resid 78 and name HD22) 2.687 0.902 2.402 weight 1.000 ! spec=HCH_al, no=1506, id=3295, vol=6.290000e+06
or (resid 68 and name HA) (resid 78 and name HD21)
or (resid 68 and name HA) (resid 78 and name HD23)
assign (resid 78 and name HA) (resid 78 and name HD22) 2.305 0.664 2.164 weight 1.000 ! spec=HCH_al, no=1508, id=3297, vol=1.580000e+07
or (resid 78 and name HA) (resid 78 and name HD21)
or (resid 78 and name HA) (resid 78 and name HD23)
assign (resid 21 and name HA) (resid 78 and name HD22) 2.490 0.775 2.275 weight 1.000 ! spec=HCH_al, no=1509, id=3298, vol=9.940000e+06
or (resid 21 and name HA) (resid 78 and name HD21)
or (resid 21 and name HA) (resid 78 and name HD23)
assign (resid 24 and name HB2) (resid 78 and name HD22) 2.583 0.834 2.334 weight 1.000 ! spec=HCH_al, no=1512, id=3301, vol=7.970000e+06
or (resid 24 and name HB2) (resid 78 and name HD21)
or (resid 24 and name HB2) (resid 78 and name HD23)
assign (resid 24 and name HB1) (resid 78 and name HD22) 2.663 0.886 2.386 weight 1.000 ! spec=HCH_al, no=1513, id=3302, vol=6.640000e+06
or (resid 24 and name HB1) (resid 78 and name HD21)
or (resid 24 and name HB1) (resid 78 and name HD23)
assign (resid 78 and name HD22) (resid 25 and name HG2) 3.319 1.377 2.877 weight 1.000 ! spec=HCH_al, no=1514, id=3303, vol=1.770000e+06
or (resid 78 and name HD22) (resid 25 and name HG1)
or (resid 78 and name HD21) (resid 25 and name HG2)
or (resid 78 and name HD21) (resid 25 and name HG1)
or (resid 78 and name HD23) (resid 25 and name HG2)
or (resid 78 and name HD23) (resid 25 and name HG1)
assign (resid 78 and name HD22) (resid 25 and name HB2) 3.173 1.258 2.758 weight 1.000 ! spec=HCH_al, no=1515, id=3304, vol=2.320000e+06
or (resid 78 and name HD22) (resid 25 and name HB1)
or (resid 78 and name HD21) (resid 25 and name HB2)
or (resid 78 and name HD21) (resid 25 and name HB1)
or (resid 78 and name HD23) (resid 25 and name HB2)
or (resid 78 and name HD23) (resid 25 and name HB1)
assign (resid 78 and name HD22) (resid 20 and name HB2) 3.045 1.159 2.659 weight 1.000 ! spec=HCH_al, no=1516, id=3305, vol=2.970000e+06
or (resid 78 and name HD22) (resid 20 and name HB1)
or (resid 78 and name HD22) (resid 20 and name HB3)
or (resid 78 and name HD21) (resid 20 and name HB2)
or (resid 78 and name HD21) (resid 20 and name HB1)
or (resid 78 and name HD21) (resid 20 and name HB3)
or (resid 78 and name HD23) (resid 20 and name HB2)
or (resid 78 and name HD23) (resid 20 and name HB1)
or (resid 78 and name HD23) (resid 20 and name HB3)
assign (resid 78 and name HD22) (resid 78 and name HB2) 2.723 0.927 2.427 weight 1.000 ! spec=HCH_al, no=1518, id=3307, vol=5.810000e+06
or (resid 78 and name HD21) (resid 78 and name HB2)
or (resid 78 and name HD23) (resid 78 and name HB2)
assign (resid 78 and name HD22) (resid 78 and name HB1) 2.554 0.816 2.316 weight 1.000 ! spec=HCH_al, no=1521, id=3309, vol=8.520000e+06
or (resid 78 and name HD21) (resid 78 and name HB1)
or (resid 78 and name HD23) (resid 78 and name HB1)
assign (resid 79 and name HN) (resid 79 and name HA) 2.686 0.902 2.402 weight 1.000 ! spec=HCH_al, no=1522, id=3310, vol=6.300000e+06
assign (resid 79 and name HA) (resid 79 and name HB2) 2.610 0.852 2.352 weight 1.000 ! spec=HCH_al, no=1524, id=3312, vol=7.480000e+06
assign (resid 69 and name HB1) (resid 79 and name HA) 2.846 1.013 2.513 weight 1.000 ! spec=HCH_al, no=1526, id=3314, vol=4.450000e+06
assign (resid 79 and name HA) (resid 69 and name HD12) 2.817 0.992 2.492 weight 1.000 ! spec=HCH_al, no=1527, id=3315, vol=4.740000e+06
or (resid 79 and name HA) (resid 69 and name HD11)
or (resid 79 and name HA) (resid 69 and name HD13)
assign (resid 79 and name HB2) (resid 79 and name HN) 2.475 0.766 2.266 weight 1.000 ! spec=HCH_al, no=1529, id=3317, vol=1.030000e+07
assign (resid 79 and name HN) (resid 79 and name HB1) 2.763 0.954 2.454 weight 1.000 ! spec=HCH_al, no=1530, id=3318, vol=5.320000e+06
assign (resid 79 and name HB1) (resid 78 and name HA) 3.673 1.686 3.186 weight 1.000 ! spec=HCH_al, no=1531, id=3319, vol=9.640000e+05
assign (resid 79 and name HG2) (resid 79 and name HA) 2.821 0.994 2.494 weight 1.000 ! spec=HCH_al, no=1534, id=3322, vol=4.700000e+06
assign (resid 79 and name HA) (resid 79 and name HG1) 2.812 0.988 2.488 weight 1.000 ! spec=HCH_al, no=1537, id=3325, vol=4.790000e+06
assign (resid 79 and name HG1) (resid 79 and name HD1) 2.862 1.024 2.524 weight 1.000 ! spec=HCH_al, no=1538, id=3326, vol=4.310000e+06
assign (resid 80 and name HN) (resid 80 and name HB2) 2.894 1.047 2.547 weight 1.000 ! spec=HCH_al, no=1539, id=3327, vol=4.030000e+06
assign (resid 80 and name HB2) (resid 81 and name HN) 3.551 1.576 3.076 weight 1.000 ! spec=HCH_al, no=1540, id=3328, vol=1.180000e+06
assign (resid 80 and name HB2) (resid 80 and name HB1) 2.257 0.637 2.137 weight 1.000 ! spec=HCH_al, no=1541, id=3329, vol=1.790000e+07
assign (resid 80 and name HB1) (resid 80 and name HN) 2.762 0.954 2.454 weight 1.000 ! spec=HCH_al, no=1542, id=3330, vol=5.330000e+06
assign (resid 82 and name HN) (resid 81 and name HA) 3.148 1.239 2.739 weight 1.000 ! spec=HCH_al, no=1546, id=3334, vol=2.430000e+06
assign (resid 81 and name HN) (resid 81 and name HA) 2.653 0.880 2.38 weight 1.000 ! spec=HCH_al, no=1547, id=3335, vol=6.790000e+06
assign (resid 81 and name HB1) (resid 81 and name HE3) 3.244 1.316 2.816 weight 1.000 ! spec=HCH_al, no=1553, id=3341, vol=2.030000e+06
assign (resid 81 and name HB1) (resid 81 and name HZ3) 3.277 1.343 2.843 weight 1.000 ! spec=HCH_al, no=1556, id=3344, vol=1.910000e+06
assign (resid 81 and name HB1) (resid 81 and name HA) 2.754 0.948 2.448 weight 1.000 ! spec=HCH_al, no=1557, id=3345, vol=5.420000e+06
assign (resid 81 and name HB1) (resid 81 and name HB2) 2.609 0.851 2.351 weight 1.000 ! spec=HCH_al, no=1558, id=3346, vol=7.500000e+06
assign (resid 82 and name HN) (resid 82 and name HA) 2.534 0.803 2.303 weight 1.000 ! spec=HCH_al, no=1559, id=3347, vol=8.930000e+06
assign (resid 82 and name HA) (resid 82 and name HB2) 2.612 0.853 2.353 weight 1.000 ! spec=HCH_al, no=1562, id=3350, vol=7.450000e+06
assign (resid 82 and name HB2) (resid 82 and name HD1) 2.357 0.695 2.195 weight 1.000 ! spec=HCH_al, no=1564, id=3352, vol=1.380000e+07
or (resid 82 and name HB2) (resid 82 and name HD2)
assign (resid 82 and name HB2) (resid 84 and name HE1) 3.090 1.193 2.693 weight 1.000 ! spec=HCH_al, no=1565, id=3353, vol=2.720000e+06
or (resid 82 and name HB2) (resid 84 and name HE2)
assign (resid 82 and name HB1) (resid 82 and name HB2) 2.539 0.806 2.306 weight 1.000 ! spec=HCH_al, no=1573, id=3361, vol=8.840000e+06
assign (resid 82 and name HB1) (resid 69 and name HD22) 3.322 1.380 2.88 weight 1.000 ! spec=HCH_al, no=1574, id=3362, vol=1.760000e+06
or (resid 82 and name HB1) (resid 69 and name HD21)
or (resid 82 and name HB1) (resid 69 and name HD23)
assign (resid 83 and name HD1) (resid 84 and name HN) 2.800 0.980 2.48 weight 1.000 ! spec=HCH_al, no=1592, id=3369, vol=4.910000e+06
assign (resid 82 and name HB2) (resid 83 and name HD1) 2.698 0.910 2.41 weight 1.000 ! spec=HCH_al, no=1598, id=3374, vol=6.130000e+06
assign (resid 83 and name HD1) (resid 82 and name HB1) 2.871 1.030 2.53 weight 1.000 ! spec=HCH_al, no=1599, id=3375, vol=4.230000e+06
assign (resid 93 and name HG2) (resid 83 and name HD1) 1.875 0.439 1.939 weight 1.000 ! spec=HCH_al, no=1601, id=3377, vol=5.450000e+07
or (resid 93 and name HG1) (resid 83 and name HD1)
assign (resid 83 and name HD1) (resid 93 and name HB1) 2.013 0.506 2.006 weight 1.000 ! spec=HCH_al, no=1602, id=3378, vol=3.560000e+07
assign (resid 24 and name HB1) (resid 78 and name HB2) 3.610 1.629 3.129 weight 1.000 ! spec=HCH_al, no=1610, id=3385, vol=1.070000e+06
assign (resid 87 and name HN) (resid 86 and name HG1) 2.701 0.912 2.412 weight 1.000 ! spec=HCH_al, no=1629, id=3394, vol=6.100000e+06
assign (resid 86 and name HN) (resid 86 and name HG1) 2.327 0.677 2.177 weight 1.000 ! spec=HCH_al, no=1630, id=3395, vol=1.490000e+07
assign (resid 86 and name HE22) (resid 86 and name HG1) 2.749 0.945 2.445 weight 1.000 ! spec=HCH_al, no=1631, id=3396, vol=5.480000e+06
assign (resid 3 and name HG22) (resid 3 and name HG11) 2.060 0.530 2.03 weight 1.000 ! spec=HCH_al, no=1640, id=3403, vol=3.100000e+07
or (resid 3 and name HG21) (resid 3 and name HG11)
or (resid 3 and name HG23) (resid 3 and name HG11)
assign (resid 3 and name HG22) (resid 3 and name HB) 1.759 0.387 1.887 weight 1.000 ! spec=HCH_al, no=1642, id=3405, vol=7.990000e+07
or (resid 3 and name HG21) (resid 3 and name HB)
or (resid 3 and name HG23) (resid 3 and name HB)
assign (resid 3 and name HG22) (resid 2 and name HA2) 2.490 0.775 2.275 weight 1.000 ! spec=HCH_al, no=1644, id=3407, vol=9.930000e+06
or (resid 3 and name HG21) (resid 2 and name HA2)
or (resid 3 and name HG23) (resid 2 and name HA2)
assign (resid 3 and name HG22) (resid 23 and name HN) 2.924 1.068 2.568 weight 1.000 ! spec=HCH_al, no=1649, id=3412, vol=3.790000e+06
or (resid 3 and name HG21) (resid 23 and name HN)
or (resid 3 and name HG23) (resid 23 and name HN)
assign (resid 3 and name HN) (resid 3 and name HG22) 2.597 0.843 2.343 weight 1.000 ! spec=HCH_al, no=1650, id=3413, vol=7.720000e+06
or (resid 3 and name HN) (resid 3 and name HG21)
or (resid 3 and name HN) (resid 3 and name HG23)
assign (resid 3 and name HA) (resid 3 and name HG11) 2.749 0.944 2.444 weight 1.000 ! spec=HCH_al, no=1652, id=3415, vol=5.490000e+06
assign (resid 54 and name HB1) (resid 54 and name HD1) 3.211 1.289 2.789 weight 1.000 ! spec=HCH_al, no=1653, id=3416, vol=2.160000e+06
assign (resid 48 and name HB1) (resid 48 and name HE2) 2.612 0.853 2.353 weight 1.000 ! spec=HCH_al, no=1656, id=3419, vol=7.460000e+06
or (resid 48 and name HB1) (resid 48 and name HE1)
assign (resid 48 and name HB1) (resid 48 and name HN) 2.548 0.812 2.312 weight 1.000 ! spec=HCH_al, no=1657, id=3420, vol=8.650000e+06
assign (resid 12 and name HA) (resid 12 and name HG1) 2.531 0.801 2.301 weight 1.000 ! spec=HCH_al, no=1660, id=3423, vol=9.010000e+06
assign (resid 4 and name HN) (resid 4 and name HG2) 2.463 0.758 2.258 weight 1.000 ! spec=HCH_al, no=1661, id=3424, vol=1.060000e+07
assign (resid 56 and name HN) (resid 56 and name HA) 2.406 0.724 2.224 weight 1.000 ! spec=HCH_al, no=1665, id=3428, vol=1.220000e+07
assign (resid 5 and name HA) (resid 5 and name HB2) 2.225 0.619 2.119 weight 1.000 ! spec=HCH_al, no=1672, id=3435, vol=1.950000e+07
or (resid 5 and name HA) (resid 5 and name HB1)
assign (resid 6 and name HB2) (resid 6 and name HA) 2.761 0.953 2.453 weight 1.000 ! spec=HCH_al, no=1673, id=3436, vol=5.340000e+06
assign (resid 8 and name HN) (resid 7 and name HA) 2.203 0.607 2.107 weight 1.000 ! spec=HCH_al, no=1674, id=3437, vol=2.070000e+07
assign (resid 10 and name HA) (resid 13 and name HG2) 2.603 0.847 2.347 weight 1.000 ! spec=HCH_al, no=1676, id=3439, vol=7.610000e+06
assign (resid 8 and name HG1) (resid 7 and name HA) 3.272 1.338 2.838 weight 1.000 ! spec=HCH_al, no=1681, id=3443, vol=1.930000e+06
assign (resid 8 and name HN) (resid 8 and name HG1) 2.725 0.928 2.428 weight 1.000 ! spec=HCH_al, no=1683, id=3445, vol=5.780000e+06
assign (resid 49 and name HN) (resid 49 and name HB2) 2.444 0.747 2.247 weight 1.000 ! spec=HCH_al, no=1686, id=3448, vol=1.110000e+07
or (resid 49 and name HN) (resid 49 and name HB1)
assign (resid 9 and name HB2) (resid 10 and name HN) 2.943 1.083 2.583 weight 1.000 ! spec=HCH_al, no=1688, id=3450, vol=3.640000e+06
assign (resid 9 and name HB1) (resid 10 and name HN) 2.946 1.085 2.585 weight 1.000 ! spec=HCH_al, no=1689, id=3451, vol=3.620000e+06
assign (resid 10 and name HN) (resid 9 and name HG1) 2.413 0.728 2.228 weight 1.000 ! spec=HCH_al, no=1693, id=3455, vol=1.200000e+07
assign (resid 74 and name HN) (resid 74 and name HA) 2.330 0.678 2.178 weight 1.000 ! spec=HCH_al, no=1700, id=3462, vol=1.480000e+07
assign (resid 8 and name HA) (resid 11 and name HD12) 2.188 0.598 2.098 weight 1.000 ! spec=HCH_al, no=1702, id=3463, vol=2.160000e+07
or (resid 8 and name HA) (resid 11 and name HD11)
or (resid 8 and name HA) (resid 11 and name HD13)
assign (resid 11 and name HN) (resid 11 and name HD12) 2.513 0.789 2.289 weight 1.000 ! spec=HCH_al, no=1703, id=3464, vol=9.400000e+06
or (resid 11 and name HN) (resid 11 and name HD11)
or (resid 11 and name HN) (resid 11 and name HD13)
assign (resid 11 and name HD12) (resid 11 and name HG) 2.090 0.546 2.046 weight 1.000 ! spec=HCH_al, no=1706, id=3467, vol=2.840000e+07
or (resid 11 and name HD11) (resid 11 and name HG)
or (resid 11 and name HD13) (resid 11 and name HG)
assign (resid 6 and name HB1) (resid 11 and name HD22) 2.444 0.747 2.247 weight 1.000 ! spec=HCH_al, no=1707, id=3468, vol=1.110000e+07
or (resid 6 and name HB1) (resid 11 and name HD21)
or (resid 6 and name HB1) (resid 11 and name HD23)
assign (resid 11 and name HD12) (resid 6 and name HB1) 3.201 1.281 2.781 weight 1.000 ! spec=HCH_al, no=1708, id=3469, vol=2.200000e+06
or (resid 11 and name HD11) (resid 6 and name HB1)
or (resid 11 and name HD13) (resid 6 and name HB1)
assign (resid 6 and name HB2) (resid 11 and name HD22) 2.413 0.728 2.228 weight 1.000 ! spec=HCH_al, no=1709, id=3470, vol=1.200000e+07
or (resid 6 and name HB2) (resid 11 and name HD21)
or (resid 6 and name HB2) (resid 11 and name HD23)
assign (resid 71 and name HD12) (resid 75 and name HB) 1.996 0.498 1.998 weight 1.000 ! spec=HCH_al, no=1711, id=3472, vol=3.740000e+07
or (resid 71 and name HD11) (resid 75 and name HB)
or (resid 71 and name HD13) (resid 75 and name HB)
assign (resid 69 and name HA) (resid 69 and name HD12) 2.105 0.554 2.054 weight 1.000 ! spec=HCH_al, no=1713, id=3474, vol=2.720000e+07
or (resid 69 and name HA) (resid 69 and name HD11)
or (resid 69 and name HA) (resid 69 and name HD13)
assign (resid 6 and name HN) (resid 11 and name HD22) 2.701 0.912 2.412 weight 1.000 ! spec=HCH_al, no=1714, id=3475, vol=6.090000e+06
or (resid 6 and name HN) (resid 11 and name HD21)
or (resid 6 and name HN) (resid 11 and name HD23)
assign (resid 69 and name HD12) (resid 70 and name HN) 2.012 0.506 2.006 weight 1.000 ! spec=HCH_al, no=1716, id=3477, vol=3.570000e+07
or (resid 69 and name HD11) (resid 70 and name HN)
or (resid 69 and name HD13) (resid 70 and name HN)
assign (resid 13 and name HN) (resid 12 and name HA) 2.655 0.881 2.381 weight 1.000 ! spec=HCH_al, no=1718, id=3479, vol=6.750000e+06
assign (resid 12 and name HB1) (resid 12 and name HG1) 2.317 0.671 2.171 weight 1.000 ! spec=HCH_al, no=1719, id=3480, vol=1.530000e+07
assign (resid 12 and name HB1) (resid 12 and name HE2) 3.107 1.207 2.707 weight 1.000 ! spec=HCH_al, no=1721, id=3482, vol=2.630000e+06
or (resid 12 and name HB1) (resid 12 and name HE1)
assign (resid 12 and name HB1) (resid 13 and name HN) 2.938 1.079 2.579 weight 1.000 ! spec=HCH_al, no=1722, id=3483, vol=3.680000e+06
assign (resid 29 and name HA) (resid 29 and name HD2) 2.543 0.808 2.308 weight 1.000 ! spec=HCH_al, no=1727, id=3488, vol=8.750000e+06
or (resid 29 and name HA) (resid 29 and name HD1)
assign (resid 14 and name HG1) (resid 13 and name HN) 3.082 1.188 2.688 weight 1.000 ! spec=HCH_al, no=1732, id=3493, vol=2.760000e+06
assign (resid 71 and name HG) (resid 77 and name HN) 3.283 1.347 2.847 weight 1.000 ! spec=HCH_al, no=1751, id=3496, vol=1.890000e+06
assign (resid 48 and name HA) (resid 48 and name HB1) 2.550 0.813 2.313 weight 1.000 ! spec=HCH_al, no=1752, id=3497, vol=8.610000e+06
assign (resid 48 and name HN) (resid 47 and name HD2) 2.746 0.943 2.443 weight 1.000 ! spec=HCH_al, no=1753, id=3498, vol=5.520000e+06
or (resid 48 and name HN) (resid 47 and name HD1)
assign (resid 8 and name HG2) (resid 12 and name HN) 3.536 1.563 3.063 weight 1.000 ! spec=HCH_al, no=1757, id=3502, vol=1.210000e+06
assign (resid 49 and name HG2) (resid 48 and name HG2) 3.390 1.436 2.936 weight 1.000 ! spec=HCH_al, no=1761, id=3506, vol=1.560000e+06
or (resid 49 and name HG2) (resid 48 and name HG1)
assign (resid 49 and name HG1) (resid 48 and name HG2) 3.050 1.163 2.663 weight 1.000 ! spec=HCH_al, no=1762, id=3507, vol=2.940000e+06
or (resid 49 and name HG1) (resid 48 and name HG1)
assign (resid 49 and name HA) (resid 49 and name HG2) 2.378 0.707 2.207 weight 1.000 ! spec=HCH_al, no=1763, id=3508, vol=1.310000e+07
assign (resid 10 and name HB2) (resid 10 and name HA) 2.452 0.751 2.251 weight 1.000 ! spec=HCH_al, no=1764, id=3509, vol=1.090000e+07
assign (resid 10 and name HB2) (resid 10 and name HG2) 2.737 0.936 2.436 weight 1.000 ! spec=HCH_al, no=1765, id=3510, vol=5.630000e+06
or (resid 10 and name HB2) (resid 10 and name HG1)
assign (resid 7 and name HN) (resid 10 and name HG2) 3.015 1.136 2.636 weight 1.000 ! spec=HCH_al, no=1766, id=3511, vol=3.150000e+06
or (resid 7 and name HN) (resid 10 and name HG1)
assign (resid 14 and name HN) (resid 13 and name HA) 2.475 0.766 2.266 weight 1.000 ! spec=HCH_al, no=1769, id=3514, vol=1.030000e+07
assign (resid 14 and name HG1) (resid 14 and name HG2) 1.846 0.426 1.926 weight 1.000 ! spec=HCH_al, no=1770, id=3515, vol=5.990000e+07
assign (resid 15 and name HA) (resid 16 and name HB1) 3.362 1.413 2.913 weight 1.000 ! spec=HCH_al, no=1772, id=3516, vol=1.640000e+06
assign (resid 15 and name HB2) (resid 17 and name HG22) 1.944 0.472 1.972 weight 1.000 ! spec=HCH_al, no=1774, id=3518, vol=4.390000e+07
or (resid 15 and name HB2) (resid 17 and name HG21)
or (resid 15 and name HB2) (resid 17 and name HG23)
or (resid 15 and name HB2) (resid 17 and name HG12)
or (resid 15 and name HB2) (resid 17 and name HG11)
or (resid 15 and name HB2) (resid 17 and name HG13)
or (resid 15 and name HB1) (resid 17 and name HG22)
or (resid 15 and name HB1) (resid 17 and name HG21)
or (resid 15 and name HB1) (resid 17 and name HG23)
or (resid 15 and name HB1) (resid 17 and name HG12)
or (resid 15 and name HB1) (resid 17 and name HG11)
or (resid 15 and name HB1) (resid 17 and name HG13)
or (resid 15 and name HB3) (resid 17 and name HG22)
or (resid 15 and name HB3) (resid 17 and name HG21)
or (resid 15 and name HB3) (resid 17 and name HG23)
or (resid 15 and name HB3) (resid 17 and name HG12)
or (resid 15 and name HB3) (resid 17 and name HG11)
or (resid 15 and name HB3) (resid 17 and name HG13)
assign (resid 15 and name HB2) (resid 14 and name HB2) 2.820 0.994 2.494 weight 1.000 ! spec=HCH_al, no=1775, id=3519, vol=4.710000e+06
or (resid 15 and name HB2) (resid 14 and name HB1)
or (resid 15 and name HB1) (resid 14 and name HB2)
or (resid 15 and name HB1) (resid 14 and name HB1)
or (resid 15 and name HB3) (resid 14 and name HB2)
or (resid 15 and name HB3) (resid 14 and name HB1)
assign (resid 15 and name HB2) (resid 18 and name HG1) 2.279 0.649 2.149 weight 1.000 ! spec=HCH_al, no=1777, id=3521, vol=1.690000e+07
or (resid 15 and name HB1) (resid 18 and name HG1)
or (resid 15 and name HB3) (resid 18 and name HG1)
assign (resid 18 and name HG2) (resid 15 and name HB2) 2.297 0.660 2.16 weight 1.000 ! spec=HCH_al, no=1778, id=3522, vol=1.610000e+07
or (resid 18 and name HG2) (resid 15 and name HB1)
or (resid 18 and name HG2) (resid 15 and name HB3)
assign (resid 15 and name HA) (resid 15 and name HB2) 1.862 0.433 1.933 weight 1.000 ! spec=HCH_al, no=1779, id=3523, vol=5.680000e+07
or (resid 15 and name HA) (resid 15 and name HB1)
or (resid 15 and name HA) (resid 15 and name HB3)
assign (resid 19 and name HN) (resid 15 and name HB2) 2.848 1.014 2.514 weight 1.000 ! spec=HCH_al, no=1780, id=3524, vol=4.440000e+06
or (resid 19 and name HN) (resid 15 and name HB1)
or (resid 19 and name HN) (resid 15 and name HB3)
assign (resid 17 and name HN) (resid 15 and name HB2) 2.409 0.726 2.226 weight 1.000 ! spec=HCH_al, no=1781, id=3525, vol=1.210000e+07
or (resid 17 and name HN) (resid 15 and name HB1)
or (resid 17 and name HN) (resid 15 and name HB3)
assign (resid 58 and name HB1) (resid 16 and name HB2) 3.645 1.660 3.16 weight 1.000 ! spec=HCH_al, no=1782, id=3526, vol=1.010000e+06
assign (resid 16 and name HB1) (resid 58 and name HE1) 3.651 1.666 3.166 weight 1.000 ! spec=HCH_al, no=1785, id=3529, vol=1.000000e+06
or (resid 16 and name HB1) (resid 58 and name HE2)
assign (resid 16 and name HB2) (resid 16 and name HD12) 2.309 0.667 2.167 weight 1.000 ! spec=HCH_al, no=1787, id=3531, vol=1.560000e+07
or (resid 16 and name HB2) (resid 16 and name HD11)
or (resid 16 and name HB2) (resid 16 and name HD13)
assign (resid 16 and name HD12) (resid 54 and name HB2) 2.400 0.720 2.22 weight 1.000 ! spec=HCH_al, no=1789, id=3533, vol=1.240000e+07
or (resid 16 and name HD11) (resid 54 and name HB2)
or (resid 16 and name HD13) (resid 54 and name HB2)
assign (resid 16 and name HD12) (resid 54 and name HD1) 2.711 0.919 2.419 weight 1.000 ! spec=HCH_al, no=1790, id=3534, vol=5.960000e+06
or (resid 16 and name HD11) (resid 54 and name HD1)
or (resid 16 and name HD13) (resid 54 and name HD1)
assign (resid 58 and name HB1) (resid 16 and name HD12) 2.409 0.726 2.226 weight 1.000 ! spec=HCH_al, no=1791, id=3535, vol=1.210000e+07
or (resid 58 and name HB1) (resid 16 and name HD11)
or (resid 58 and name HB1) (resid 16 and name HD13)
assign (resid 16 and name HD12) (resid 58 and name HA) 2.945 1.084 2.584 weight 1.000 ! spec=HCH_al, no=1792, id=3536, vol=3.630000e+06
or (resid 16 and name HD11) (resid 58 and name HA)
or (resid 16 and name HD13) (resid 58 and name HA)
assign (resid 55 and name HN) (resid 16 and name HD12) 3.184 1.268 2.768 weight 1.000 ! spec=HCH_al, no=1794, id=3538, vol=2.270000e+06
or (resid 55 and name HN) (resid 16 and name HD11)
or (resid 55 and name HN) (resid 16 and name HD13)
assign (resid 58 and name HN) (resid 16 and name HD12) 2.744 0.941 2.441 weight 1.000 ! spec=HCH_al, no=1795, id=3539, vol=5.540000e+06
or (resid 58 and name HN) (resid 16 and name HD11)
or (resid 58 and name HN) (resid 16 and name HD13)
assign (resid 16 and name HD12) (resid 17 and name HN) 2.808 0.985 2.485 weight 1.000 ! spec=HCH_al, no=1796, id=3540, vol=4.830000e+06
or (resid 16 and name HD11) (resid 17 and name HN)
or (resid 16 and name HD13) (resid 17 and name HN)
assign (resid 54 and name HN) (resid 16 and name HD12) 3.261 1.329 2.829 weight 1.000 ! spec=HCH_al, no=1797, id=3541, vol=1.970000e+06
or (resid 54 and name HN) (resid 16 and name HD11)
or (resid 54 and name HN) (resid 16 and name HD13)
assign (resid 16 and name HD22) (resid 16 and name HG) 1.953 0.477 1.977 weight 1.000 ! spec=HCH_al, no=1799, id=3542, vol=4.260000e+07
or (resid 16 and name HD21) (resid 16 and name HG)
or (resid 16 and name HD23) (resid 16 and name HG)
assign (resid 16 and name HD22) (resid 54 and name HG1) 2.346 0.688 2.188 weight 1.000 ! spec=HCH_al, no=1800, id=3543, vol=1.420000e+07
or (resid 16 and name HD21) (resid 54 and name HG1)
or (resid 16 and name HD23) (resid 54 and name HG1)
assign (resid 16 and name HD22) (resid 58 and name HA) 3.355 1.407 2.907 weight 1.000 ! spec=HCH_al, no=1803, id=3545, vol=1.660000e+06
or (resid 16 and name HD21) (resid 58 and name HA)
or (resid 16 and name HD23) (resid 58 and name HA)
assign (resid 16 and name HD22) (resid 16 and name HN) 2.293 0.657 2.157 weight 1.000 ! spec=HCH_al, no=1808, id=3550, vol=1.630000e+07
or (resid 16 and name HD21) (resid 16 and name HN)
or (resid 16 and name HD23) (resid 16 and name HN)
assign (resid 17 and name HN) (resid 16 and name HD22) 2.812 0.988 2.488 weight 1.000 ! spec=HCH_al, no=1809, id=3551, vol=4.790000e+06
or (resid 17 and name HN) (resid 16 and name HD21)
or (resid 17 and name HN) (resid 16 and name HD23)
assign (resid 20 and name HN) (resid 17 and name HA) 3.082 1.188 2.688 weight 1.000 ! spec=HCH_al, no=1810, id=3552, vol=2.760000e+06
assign (resid 17 and name HB) (resid 62 and name HD22) 3.468 1.504 3.004 weight 1.000 ! spec=HCH_al, no=1811, id=3553, vol=1.360000e+06
or (resid 17 and name HB) (resid 62 and name HD21)
or (resid 17 and name HB) (resid 62 and name HD23)
assign (resid 17 and name HB) (resid 20 and name HN) 3.322 1.380 2.88 weight 1.000 ! spec=HCH_al, no=1813, id=3555, vol=1.760000e+06
assign (resid 8 and name HN) (resid 8 and name HB1) 2.483 0.771 2.271 weight 1.000 ! spec=HCH_al, no=1814, id=3556, vol=1.010000e+07
assign (resid 13 and name HG2) (resid 13 and name HB1) 2.039 0.520 2.02 weight 1.000 ! spec=HCH_al, no=1815, id=3557, vol=3.290000e+07
assign (resid 19 and name HG22) (resid 20 and name HA) 2.648 0.876 2.376 weight 1.000 ! spec=HCH_al, no=1817, id=3559, vol=6.870000e+06
or (resid 19 and name HG21) (resid 20 and name HA)
or (resid 19 and name HG23) (resid 20 and name HA)
assign (resid 19 and name HG22) (resid 19 and name HN) 2.504 0.784 2.284 weight 1.000 ! spec=HCH_al, no=1818, id=3560, vol=9.600000e+06
or (resid 19 and name HG21) (resid 19 and name HN)
or (resid 19 and name HG23) (resid 19 and name HN)
assign (resid 22 and name HN) (resid 19 and name HG22) 3.117 1.215 2.715 weight 1.000 ! spec=HCH_al, no=1819, id=3561, vol=2.580000e+06
or (resid 22 and name HN) (resid 19 and name HG21)
or (resid 22 and name HN) (resid 19 and name HG23)
assign (resid 20 and name HN) (resid 19 and name HG22) 2.459 0.756 2.256 weight 1.000 ! spec=HCH_al, no=1822, id=3564, vol=1.070000e+07
or (resid 20 and name HN) (resid 19 and name HG21)
or (resid 20 and name HN) (resid 19 and name HG23)
assign (resid 20 and name HB2) (resid 21 and name HB1) 2.946 1.085 2.585 weight 1.000 ! spec=HCH_al, no=1826, id=3568, vol=3.620000e+06
or (resid 20 and name HB1) (resid 21 and name HB1)
or (resid 20 and name HB3) (resid 21 and name HB1)
assign (resid 56 and name HB2) (resid 56 and name HA) 1.828 0.418 1.918 weight 1.000 ! spec=HCH_al, no=1827, id=3569, vol=6.340000e+07
or (resid 56 and name HB1) (resid 56 and name HA)
or (resid 56 and name HB3) (resid 56 and name HA)
assign (resid 57 and name HN) (resid 56 and name HB2) 2.086 0.544 2.044 weight 1.000 ! spec=HCH_al, no=1828, id=3570, vol=2.870000e+07
or (resid 57 and name HN) (resid 56 and name HB1)
or (resid 57 and name HN) (resid 56 and name HB3)
assign (resid 33 and name HA) (resid 62 and name HD22) 3.316 1.375 2.875 weight 1.000 ! spec=HCH_al, no=1829, id=3571, vol=1.780000e+06
or (resid 33 and name HA) (resid 62 and name HD21)
or (resid 33 and name HA) (resid 62 and name HD23)
assign (resid 21 and name HB2) (resid 21 and name HA) 3.372 1.421 2.921 weight 1.000 ! spec=HCH_al, no=1830, id=3572, vol=1.610000e+06
assign (resid 21 and name HN) (resid 21 and name HB1) 2.775 0.963 2.463 weight 1.000 ! spec=HCH_al, no=1831, id=3573, vol=5.180000e+06
assign (resid 25 and name HN) (resid 25 and name HB2) 2.251 0.633 2.133 weight 1.000 ! spec=HCH_al, no=1832, id=3574, vol=1.820000e+07
or (resid 25 and name HN) (resid 25 and name HB1)
assign (resid 22 and name HG1) (resid 22 and name HG2) 1.974 0.487 1.987 weight 1.000 ! spec=HCH_al, no=1833, id=3575, vol=4.000000e+07
assign (resid 23 and name HA) (resid 26 and name HN) 2.902 1.053 2.553 weight 1.000 ! spec=HCH_al, no=1834, id=3576, vol=3.960000e+06
assign (resid 11 and name HG) (resid 6 and name HB1) 3.358 1.410 2.91 weight 1.000 ! spec=HCH_al, no=1837, id=3577, vol=1.650000e+06
assign (resid 23 and name HD12) (resid 23 and name HA) 1.839 0.423 1.923 weight 1.000 ! spec=HCH_al, no=1839, id=3578, vol=6.110000e+07
or (resid 23 and name HD11) (resid 23 and name HA)
or (resid 23 and name HD13) (resid 23 and name HA)
assign (resid 23 and name HD22) (resid 23 and name HG) 2.083 0.542 2.042 weight 1.000 ! spec=HCH_al, no=1848, id=3581, vol=2.900000e+07
or (resid 23 and name HD21) (resid 23 and name HG)
or (resid 23 and name HD23) (resid 23 and name HG)
assign (resid 23 and name HD22) (resid 23 and name HB2) 2.378 0.707 2.207 weight 1.000 ! spec=HCH_al, no=1849, id=3582, vol=1.310000e+07
or (resid 23 and name HD21) (resid 23 and name HB2)
or (resid 23 and name HD23) (resid 23 and name HB2)
assign (resid 23 and name HD22) (resid 23 and name HA) 2.632 0.866 2.366 weight 1.000 ! spec=HCH_al, no=1851, id=3584, vol=7.120000e+06
or (resid 23 and name HD21) (resid 23 and name HA)
or (resid 23 and name HD23) (resid 23 and name HA)
assign (resid 23 and name HN) (resid 23 and name HD22) 2.488 0.774 2.274 weight 1.000 ! spec=HCH_al, no=1852, id=3585, vol=9.970000e+06
or (resid 23 and name HN) (resid 23 and name HD21)
or (resid 23 and name HN) (resid 23 and name HD23)
assign (resid 24 and name HB2) (resid 24 and name HA) 3.171 1.257 2.757 weight 1.000 ! spec=HCH_al, no=1853, id=3586, vol=2.330000e+06
assign (resid 35 and name HB2) (resid 31 and name HA) 2.990 1.118 2.618 weight 1.000 ! spec=HCH_al, no=1855, id=3588, vol=3.310000e+06
or (resid 35 and name HB1) (resid 31 and name HA)
assign (resid 26 and name HN) (resid 26 and name HB2) 2.455 0.754 2.254 weight 1.000 ! spec=HCH_al, no=1856, id=3589, vol=1.080000e+07
assign (resid 22 and name HA) (resid 25 and name HN) 2.935 1.077 2.577 weight 1.000 ! spec=HCH_al, no=1860, id=3593, vol=3.700000e+06
assign (resid 27 and name HB2) (resid 27 and name HB1) 2.309 0.667 2.167 weight 1.000 ! spec=HCH_al, no=1862, id=3595, vol=1.560000e+07
assign (resid 27 and name HB2) (resid 27 and name HA) 2.945 1.084 2.584 weight 1.000 ! spec=HCH_al, no=1863, id=3596, vol=3.630000e+06
assign (resid 28 and name HA) (resid 81 and name HZ2) 2.766 0.957 2.457 weight 1.000 ! spec=HCH_al, no=1866, id=3599, vol=5.280000e+06
assign (resid 41 and name HN) (resid 37 and name HA) 3.066 1.175 2.675 weight 1.000 ! spec=HCH_al, no=1867, id=3600, vol=2.850000e+06
assign (resid 28 and name HB1) (resid 28 and name HN) 3.157 1.246 2.746 weight 1.000 ! spec=HCH_al, no=1868, id=3601, vol=2.390000e+06
assign (resid 28 and name HD1) (resid 28 and name HE2) 2.378 0.707 2.207 weight 1.000 ! spec=HCH_al, no=1870, id=3603, vol=1.310000e+07
or (resid 28 and name HD1) (resid 28 and name HE1)
assign (resid 30 and name HD2) (resid 71 and name HD12) 3.427 1.468 2.968 weight 1.000 ! spec=HCH_al, no=1878, id=3611, vol=1.460000e+06
or (resid 30 and name HD2) (resid 71 and name HD11)
or (resid 30 and name HD2) (resid 71 and name HD13)
assign (resid 31 and name HA) (resid 30 and name HA) 3.298 1.359 2.859 weight 1.000 ! spec=HCH_al, no=1879, id=3612, vol=1.840000e+06
assign (resid 47 and name HB2) (resid 49 and name HN) 2.929 1.072 2.572 weight 1.000 ! spec=HCH_al, no=1882, id=3615, vol=3.750000e+06
assign (resid 34 and name HB2) (resid 33 and name HB1) 3.451 1.489 2.989 weight 1.000 ! spec=HCH_al, no=1883, id=3616, vol=1.400000e+06
or (resid 34 and name HB1) (resid 33 and name HB1)
assign (resid 32 and name HG2) (resid 34 and name HN) 3.144 1.236 2.736 weight 1.000 ! spec=HCH_al, no=1884, id=3617, vol=2.450000e+06
assign (resid 32 and name HG2) (resid 33 and name HN) 3.431 1.472 2.972 weight 1.000 ! spec=HCH_al, no=1885, id=3618, vol=1.450000e+06
assign (resid 32 and name HG2) (resid 32 and name HD2) 2.632 0.866 2.366 weight 1.000 ! spec=HCH_al, no=1886, id=3619, vol=7.120000e+06
assign (resid 32 and name HD1) (resid 35 and name HG1) 3.140 1.232 2.732 weight 1.000 ! spec=HCH_al, no=1887, id=3620, vol=2.470000e+06
assign (resid 32 and name HD2) (resid 32 and name HB2) 3.239 1.311 2.811 weight 1.000 ! spec=HCH_al, no=1888, id=3621, vol=2.050000e+06
assign (resid 32 and name HD2) (resid 35 and name HN) 3.664 1.678 3.178 weight 1.000 ! spec=HCH_al, no=1890, id=3623, vol=9.780000e+05
assign (resid 38 and name HB1) (resid 35 and name HB2) 3.082 1.188 2.688 weight 1.000 ! spec=HCH_al, no=1905, id=3627, vol=2.760000e+06
or (resid 38 and name HB1) (resid 35 and name HB1)
assign (resid 38 and name HB1) (resid 38 and name HB2) 2.052 0.526 2.026 weight 1.000 ! spec=HCH_al, no=1906, id=3628, vol=3.170000e+07
assign (resid 35 and name HA) (resid 38 and name HB1) 2.707 0.916 2.416 weight 1.000 ! spec=HCH_al, no=1910, id=3631, vol=6.020000e+06
assign (resid 38 and name HA) (resid 38 and name HB2) 2.631 0.865 2.365 weight 1.000 ! spec=HCH_al, no=1911, id=3632, vol=7.140000e+06
assign (resid 38 and name HD22) (resid 38 and name HB2) 2.809 0.986 2.486 weight 1.000 ! spec=HCH_al, no=1913, id=3634, vol=4.820000e+06
assign (resid 38 and name HD22) (resid 38 and name HB1) 2.838 1.007 2.507 weight 1.000 ! spec=HCH_al, no=1914, id=3635, vol=4.530000e+06
assign (resid 38 and name HD21) (resid 38 and name HB2) 2.851 1.016 2.516 weight 1.000 ! spec=HCH_al, no=1915, id=3636, vol=4.410000e+06
assign (resid 38 and name HD21) (resid 38 and name HB1) 2.760 0.952 2.452 weight 1.000 ! spec=HCH_al, no=1916, id=3637, vol=5.350000e+06
assign (resid 38 and name HN) (resid 38 and name HB2) 2.479 0.768 2.268 weight 1.000 ! spec=HCH_al, no=1917, id=3638, vol=1.020000e+07
assign (resid 38 and name HN) (resid 38 and name HB1) 2.521 0.795 2.295 weight 1.000 ! spec=HCH_al, no=1918, id=3639, vol=9.210000e+06
assign (resid 50 and name HN) (resid 49 and name HA) 2.727 0.929 2.429 weight 1.000 ! spec=HCH_al, no=1919, id=3640, vol=5.760000e+06
assign (resid 40 and name HA) (resid 39 and name HN) 3.610 1.629 3.129 weight 1.000 ! spec=HCH_al, no=1920, id=3641, vol=1.070000e+06
assign (resid 40 and name HA) (resid 40 and name HG22) 2.221 0.617 2.117 weight 1.000 ! spec=HCH_al, no=1924, id=3645, vol=1.970000e+07
or (resid 40 and name HA) (resid 40 and name HG21)
or (resid 40 and name HA) (resid 40 and name HG23)
assign (resid 46 and name HB) (resid 46 and name HG22) 1.925 0.463 1.963 weight 1.000 ! spec=HCH_al, no=1925, id=3646, vol=4.650000e+07
or (resid 46 and name HB) (resid 46 and name HG21)
or (resid 46 and name HB) (resid 46 and name HG23)
assign (resid 41 and name HA) (resid 46 and name HG22) 2.112 0.557 2.057 weight 1.000 ! spec=HCH_al, no=1926, id=3647, vol=2.670000e+07
or (resid 41 and name HA) (resid 46 and name HG21)
or (resid 41 and name HA) (resid 46 and name HG23)
assign (resid 46 and name HG22) (resid 42 and name HA) 2.719 0.924 2.424 weight 1.000 ! spec=HCH_al, no=1928, id=3649, vol=5.860000e+06
or (resid 46 and name HG21) (resid 42 and name HA)
or (resid 46 and name HG23) (resid 42 and name HA)
assign (resid 46 and name HG22) (resid 47 and name HA) 3.014 1.135 2.635 weight 1.000 ! spec=HCH_al, no=1929, id=3650, vol=3.160000e+06
or (resid 46 and name HG21) (resid 47 and name HA)
or (resid 46 and name HG23) (resid 47 and name HA)
assign (resid 46 and name HG22) (resid 41 and name HB2) 1.987 0.494 1.994 weight 1.000 ! spec=HCH_al, no=1931, id=3652, vol=3.840000e+07
or (resid 46 and name HG22) (resid 41 and name HB1)
or (resid 46 and name HG22) (resid 41 and name HB3)
or (resid 46 and name HG21) (resid 41 and name HB2)
or (resid 46 and name HG21) (resid 41 and name HB1)
or (resid 46 and name HG21) (resid 41 and name HB3)
or (resid 46 and name HG23) (resid 41 and name HB2)
or (resid 46 and name HG23) (resid 41 and name HB1)
or (resid 46 and name HG23) (resid 41 and name HB3)
assign (resid 41 and name HB2) (resid 44 and name HD22) 1.967 0.483 1.983 weight 1.000 ! spec=HCH_al, no=1932, id=3653, vol=4.090000e+07
or (resid 41 and name HB2) (resid 44 and name HD21)
or (resid 41 and name HB2) (resid 44 and name HD23)
or (resid 41 and name HB2) (resid 44 and name HD12)
or (resid 41 and name HB2) (resid 44 and name HD11)
or (resid 41 and name HB2) (resid 44 and name HD13)
or (resid 41 and name HB1) (resid 44 and name HD22)
or (resid 41 and name HB1) (resid 44 and name HD21)
or (resid 41 and name HB1) (resid 44 and name HD23)
or (resid 41 and name HB1) (resid 44 and name HD12)
or (resid 41 and name HB1) (resid 44 and name HD11)
or (resid 41 and name HB1) (resid 44 and name HD13)
or (resid 41 and name HB3) (resid 44 and name HD22)
or (resid 41 and name HB3) (resid 44 and name HD21)
or (resid 41 and name HB3) (resid 44 and name HD23)
or (resid 41 and name HB3) (resid 44 and name HD12)
or (resid 41 and name HB3) (resid 44 and name HD11)
or (resid 41 and name HB3) (resid 44 and name HD13)
assign (resid 44 and name HA) (resid 44 and name HD22) 2.054 0.527 2.027 weight 1.000 ! spec=HCH_al, no=1938, id=3658, vol=3.150000e+07
or (resid 44 and name HA) (resid 44 and name HD21)
or (resid 44 and name HA) (resid 44 and name HD23)
or (resid 44 and name HA) (resid 44 and name HD12)
or (resid 44 and name HA) (resid 44 and name HD11)
or (resid 44 and name HA) (resid 44 and name HD13)
assign (resid 44 and name HA) (resid 44 and name HB1) 2.437 0.742 2.242 weight 1.000 ! spec=HCH_al, no=1939, id=3659, vol=1.130000e+07
assign (resid 44 and name HG) (resid 44 and name HA) 2.413 0.728 2.228 weight 1.000 ! spec=HCH_al, no=1940, id=3660, vol=1.200000e+07
assign (resid 47 and name HG1) (resid 47 and name HN) 2.500 0.781 2.281 weight 1.000 ! spec=HCH_al, no=1955, id=3666, vol=9.690000e+06
assign (resid 47 and name HG2) (resid 49 and name HN) 3.610 1.629 3.129 weight 1.000 ! spec=HCH_al, no=1956, id=3667, vol=1.070000e+06
assign (resid 48 and name HA) (resid 50 and name HG2) 3.313 1.372 2.872 weight 1.000 ! spec=HCH_al, no=1957, id=3668, vol=1.790000e+06
assign (resid 48 and name HB2) (resid 48 and name HE2) 2.659 0.884 2.384 weight 1.000 ! spec=HCH_al, no=1958, id=3669, vol=6.700000e+06
or (resid 48 and name HB2) (resid 48 and name HE1)
assign (resid 48 and name HD2) (resid 37 and name HD22) 2.231 0.622 2.122 weight 1.000 ! spec=HCH_al, no=1959, id=3670, vol=1.920000e+07
or (resid 48 and name HD2) (resid 37 and name HD21)
or (resid 48 and name HD2) (resid 37 and name HD23)
or (resid 48 and name HD2) (resid 37 and name HD12)
or (resid 48 and name HD2) (resid 37 and name HD11)
or (resid 48 and name HD2) (resid 37 and name HD13)
or (resid 48 and name HD1) (resid 37 and name HD22)
or (resid 48 and name HD1) (resid 37 and name HD21)
or (resid 48 and name HD1) (resid 37 and name HD23)
or (resid 48 and name HD1) (resid 37 and name HD12)
or (resid 48 and name HD1) (resid 37 and name HD11)
or (resid 48 and name HD1) (resid 37 and name HD13)
assign (resid 101 and name HD2) (resid 101 and name HE2) 1.737 0.377 1.877 weight 1.000 ! spec=HCH_al, no=1960, id=3671, vol=8.610000e+07
or (resid 101 and name HD2) (resid 101 and name HE1)
or (resid 101 and name HD1) (resid 101 and name HE2)
or (resid 101 and name HD1) (resid 101 and name HE1)
assign (resid 49 and name HB2) (resid 49 and name HA) 2.050 0.525 2.025 weight 1.000 ! spec=HCH_al, no=1962, id=3673, vol=3.190000e+07
or (resid 49 and name HB1) (resid 49 and name HA)
assign (resid 52 and name HA2) (resid 37 and name HD22) 3.216 1.293 2.793 weight 1.000 ! spec=HCH_al, no=1964, id=3675, vol=2.140000e+06
or (resid 52 and name HA2) (resid 37 and name HD21)
or (resid 52 and name HA2) (resid 37 and name HD23)
or (resid 52 and name HA2) (resid 37 and name HD12)
or (resid 52 and name HA2) (resid 37 and name HD11)
or (resid 52 and name HA2) (resid 37 and name HD13)
assign (resid 52 and name HA1) (resid 37 and name HD22) 3.379 1.427 2.927 weight 1.000 ! spec=HCH_al, no=1965, id=3676, vol=1.590000e+06
or (resid 52 and name HA1) (resid 37 and name HD21)
or (resid 52 and name HA1) (resid 37 and name HD23)
or (resid 52 and name HA1) (resid 37 and name HD12)
or (resid 52 and name HA1) (resid 37 and name HD11)
or (resid 52 and name HA1) (resid 37 and name HD13)
assign (resid 53 and name HN) (resid 53 and name HA) 2.768 0.958 2.458 weight 1.000 ! spec=HCH_al, no=1968, id=3678, vol=5.260000e+06
assign (resid 54 and name HN) (resid 55 and name HA) 3.588 1.609 3.109 weight 1.000 ! spec=HCH_al, no=1969, id=3679, vol=1.110000e+06
assign (resid 54 and name HN) (resid 55 and name HB) 3.443 1.482 2.982 weight 1.000 ! spec=HCH_al, no=1970, id=3680, vol=1.420000e+06
assign (resid 55 and name HG22) (resid 37 and name HD22) 1.908 0.455 1.955 weight 1.000 ! spec=HCH_al, no=1971, id=3681, vol=4.910000e+07
or (resid 55 and name HG22) (resid 37 and name HD21)
or (resid 55 and name HG22) (resid 37 and name HD23)
or (resid 55 and name HG22) (resid 37 and name HD12)
or (resid 55 and name HG22) (resid 37 and name HD11)
or (resid 55 and name HG22) (resid 37 and name HD13)
or (resid 55 and name HG21) (resid 37 and name HD22)
or (resid 55 and name HG21) (resid 37 and name HD21)
or (resid 55 and name HG21) (resid 37 and name HD23)
or (resid 55 and name HG21) (resid 37 and name HD12)
or (resid 55 and name HG21) (resid 37 and name HD11)
or (resid 55 and name HG21) (resid 37 and name HD13)
or (resid 55 and name HG23) (resid 37 and name HD22)
or (resid 55 and name HG23) (resid 37 and name HD21)
or (resid 55 and name HG23) (resid 37 and name HD23)
or (resid 55 and name HG23) (resid 37 and name HD12)
or (resid 55 and name HG23) (resid 37 and name HD11)
or (resid 55 and name HG23) (resid 37 and name HD13)
assign (resid 55 and name HB) (resid 55 and name HG22) 1.966 0.483 1.983 weight 1.000 ! spec=HCH_al, no=1974, id=3684, vol=4.100000e+07
or (resid 55 and name HB) (resid 55 and name HG21)
or (resid 55 and name HB) (resid 55 and name HG23)
assign (resid 55 and name HG22) (resid 59 and name HB2) 2.983 1.112 2.612 weight 1.000 ! spec=HCH_al, no=1975, id=3685, vol=3.360000e+06
or (resid 55 and name HG21) (resid 59 and name HB2)
or (resid 55 and name HG23) (resid 59 and name HB2)
assign (resid 55 and name HA) (resid 55 and name HG22) 2.176 0.592 2.092 weight 1.000 ! spec=HCH_al, no=1977, id=3687, vol=2.230000e+07
or (resid 55 and name HA) (resid 55 and name HG21)
or (resid 55 and name HA) (resid 55 and name HG23)
assign (resid 55 and name HG22) (resid 59 and name HE1) 2.711 0.919 2.419 weight 1.000 ! spec=HCH_al, no=1979, id=3689, vol=5.960000e+06
or (resid 55 and name HG22) (resid 59 and name HE2)
or (resid 55 and name HG21) (resid 59 and name HE1)
or (resid 55 and name HG21) (resid 59 and name HE2)
or (resid 55 and name HG23) (resid 59 and name HE1)
or (resid 55 and name HG23) (resid 59 and name HE2)
assign (resid 55 and name HG22) (resid 33 and name HE1) 2.387 0.712 2.212 weight 1.000 ! spec=HCH_al, no=1980, id=3690, vol=1.280000e+07
or (resid 55 and name HG22) (resid 33 and name HE2)
or (resid 55 and name HG21) (resid 33 and name HE1)
or (resid 55 and name HG21) (resid 33 and name HE2)
or (resid 55 and name HG23) (resid 33 and name HE1)
or (resid 55 and name HG23) (resid 33 and name HE2)
assign (resid 55 and name HG22) (resid 33 and name HZ) 2.221 0.617 2.117 weight 1.000 ! spec=HCH_al, no=1981, id=3691, vol=1.970000e+07
or (resid 55 and name HG21) (resid 33 and name HZ)
or (resid 55 and name HG23) (resid 33 and name HZ)
assign (resid 56 and name HN) (resid 55 and name HG22) 2.423 0.734 2.234 weight 1.000 ! spec=HCH_al, no=1983, id=3693, vol=1.170000e+07
or (resid 56 and name HN) (resid 55 and name HG21)
or (resid 56 and name HN) (resid 55 and name HG23)
assign (resid 59 and name HN) (resid 55 and name HG22) 2.804 0.983 2.483 weight 1.000 ! spec=HCH_al, no=1984, id=3694, vol=4.870000e+06
or (resid 59 and name HN) (resid 55 and name HG21)
or (resid 59 and name HN) (resid 55 and name HG23)
assign (resid 55 and name HG22) (resid 55 and name HG11) 2.495 0.778 2.278 weight 1.000 ! spec=HCH_al, no=1987, id=3695, vol=9.820000e+06
or (resid 55 and name HG21) (resid 55 and name HG11)
or (resid 55 and name HG23) (resid 55 and name HG11)
assign (resid 55 and name HA) (resid 55 and name HG11) 2.864 1.025 2.525 weight 1.000 ! spec=HCH_al, no=1989, id=3697, vol=4.290000e+06
assign (resid 55 and name HN) (resid 55 and name HG11) 2.789 0.972 2.472 weight 1.000 ! spec=HCH_al, no=1990, id=3698, vol=5.030000e+06
assign (resid 59 and name HB2) (resid 56 and name HB2) 2.774 0.962 2.462 weight 1.000 ! spec=HCH_al, no=1993, id=3701, vol=5.190000e+06
or (resid 59 and name HB2) (resid 56 and name HB1)
or (resid 59 and name HB2) (resid 56 and name HB3)
assign (resid 59 and name HB1) (resid 56 and name HA) 3.006 1.129 2.629 weight 1.000 ! spec=HCH_al, no=1994, id=3702, vol=3.210000e+06
assign (resid 56 and name HN) (resid 56 and name HB2) 1.852 0.429 1.929 weight 1.000 ! spec=HCH_al, no=1997, id=3705, vol=5.870000e+07
or (resid 56 and name HN) (resid 56 and name HB1)
or (resid 56 and name HN) (resid 56 and name HB3)
assign (resid 57 and name HG2) (resid 60 and name HG21) 3.322 1.380 2.88 weight 1.000 ! spec=HCH_al, no=1999, id=3707, vol=1.760000e+06
or (resid 57 and name HG2) (resid 60 and name HG22)
or (resid 57 and name HG2) (resid 60 and name HG23)
assign (resid 57 and name HG2) (resid 60 and name HB) 3.033 1.150 2.65 weight 1.000 ! spec=HCH_al, no=2000, id=3708, vol=3.040000e+06
assign (resid 59 and name HA) (resid 56 and name HA) 3.706 1.717 3.217 weight 1.000 ! spec=HCH_al, no=2002, id=3710, vol=9.130000e+05
assign (resid 60 and name HA) (resid 60 and name HG21) 2.092 0.547 2.047 weight 1.000 ! spec=HCH_al, no=2008, id=3716, vol=2.820000e+07
or (resid 60 and name HA) (resid 60 and name HG22)
or (resid 60 and name HA) (resid 60 and name HG23)
assign (resid 60 and name HG21) (resid 57 and name HA) 2.483 0.771 2.271 weight 1.000 ! spec=HCH_al, no=2009, id=3717, vol=1.010000e+07
or (resid 60 and name HG22) (resid 57 and name HA)
or (resid 60 and name HG23) (resid 57 and name HA)
assign (resid 60 and name HB) (resid 60 and name HG21) 1.934 0.467 1.967 weight 1.000 ! spec=HCH_al, no=2010, id=3718, vol=4.530000e+07
or (resid 60 and name HB) (resid 60 and name HG22)
or (resid 60 and name HB) (resid 60 and name HG23)
assign (resid 57 and name HE22) (resid 60 and name HG21) 2.433 0.740 2.24 weight 1.000 ! spec=HCH_al, no=2012, id=3720, vol=1.140000e+07
or (resid 57 and name HE22) (resid 60 and name HG22)
or (resid 57 and name HE22) (resid 60 and name HG23)
assign (resid 64 and name HN) (resid 60 and name HG21) 2.897 1.049 2.549 weight 1.000 ! spec=HCH_al, no=2016, id=3724, vol=4.000000e+06
or (resid 64 and name HN) (resid 60 and name HG22)
or (resid 64 and name HN) (resid 60 and name HG23)
assign (resid 57 and name HE21) (resid 60 and name HG21) 2.516 0.792 2.292 weight 1.000 ! spec=HCH_al, no=2018, id=3726, vol=9.320000e+06
or (resid 57 and name HE21) (resid 60 and name HG22)
or (resid 57 and name HE21) (resid 60 and name HG23)
assign (resid 61 and name HN) (resid 60 and name HG21) 2.384 0.710 2.21 weight 1.000 ! spec=HCH_al, no=2020, id=3728, vol=1.290000e+07
or (resid 61 and name HN) (resid 60 and name HG22)
or (resid 61 and name HN) (resid 60 and name HG23)
assign (resid 62 and name HD12) (resid 62 and name HB1) 2.263 0.640 2.14 weight 1.000 ! spec=HCH_al, no=2022, id=3729, vol=1.760000e+07
or (resid 62 and name HD11) (resid 62 and name HB1)
or (resid 62 and name HD13) (resid 62 and name HB1)
assign (resid 62 and name HD12) (resid 62 and name HG) 2.092 0.547 2.047 weight 1.000 ! spec=HCH_al, no=2023, id=3730, vol=2.820000e+07
or (resid 62 and name HD11) (resid 62 and name HG)
or (resid 62 and name HD13) (resid 62 and name HG)
assign (resid 62 and name HD12) (resid 17 and name HG22) 2.151 0.578 2.078 weight 1.000 ! spec=HCH_al, no=2026, id=3732, vol=2.390000e+07
or (resid 62 and name HD12) (resid 17 and name HG21)
or (resid 62 and name HD12) (resid 17 and name HG23)
or (resid 62 and name HD12) (resid 17 and name HG12)
or (resid 62 and name HD12) (resid 17 and name HG11)
or (resid 62 and name HD12) (resid 17 and name HG13)
or (resid 62 and name HD11) (resid 17 and name HG22)
or (resid 62 and name HD11) (resid 17 and name HG21)
or (resid 62 and name HD11) (resid 17 and name HG23)
or (resid 62 and name HD11) (resid 17 and name HG12)
or (resid 62 and name HD11) (resid 17 and name HG11)
or (resid 62 and name HD11) (resid 17 and name HG13)
or (resid 62 and name HD13) (resid 17 and name HG22)
or (resid 62 and name HD13) (resid 17 and name HG21)
or (resid 62 and name HD13) (resid 17 and name HG23)
or (resid 62 and name HD13) (resid 17 and name HG12)
or (resid 62 and name HD13) (resid 17 and name HG11)
or (resid 62 and name HD13) (resid 17 and name HG13)
assign (resid 20 and name HB2) (resid 62 and name HD12) 2.360 0.696 2.196 weight 1.000 ! spec=HCH_al, no=2027, id=3733, vol=1.370000e+07
or (resid 20 and name HB2) (resid 62 and name HD11)
or (resid 20 and name HB2) (resid 62 and name HD13)
or (resid 20 and name HB1) (resid 62 and name HD12)
or (resid 20 and name HB1) (resid 62 and name HD11)
or (resid 20 and name HB1) (resid 62 and name HD13)
or (resid 20 and name HB3) (resid 62 and name HD12)
or (resid 20 and name HB3) (resid 62 and name HD11)
or (resid 20 and name HB3) (resid 62 and name HD13)
assign (resid 62 and name HA) (resid 62 and name HD12) 2.079 0.540 2.04 weight 1.000 ! spec=HCH_al, no=2028, id=3734, vol=2.930000e+07
or (resid 62 and name HA) (resid 62 and name HD11)
or (resid 62 and name HA) (resid 62 and name HD13)
assign (resid 62 and name HD12) (resid 68 and name HB2) 2.736 0.936 2.436 weight 1.000 ! spec=HCH_al, no=2029, id=3735, vol=5.640000e+06
or (resid 62 and name HD11) (resid 68 and name HB2)
or (resid 62 and name HD13) (resid 68 and name HB2)
assign (resid 17 and name HA) (resid 62 and name HD12) 2.765 0.955 2.455 weight 1.000 ! spec=HCH_al, no=2030, id=3736, vol=5.300000e+06
or (resid 17 and name HA) (resid 62 and name HD11)
or (resid 17 and name HA) (resid 62 and name HD13)
assign (resid 62 and name HD12) (resid 33 and name HD1) 2.724 0.928 2.428 weight 1.000 ! spec=HCH_al, no=2033, id=3739, vol=5.790000e+06
or (resid 62 and name HD12) (resid 33 and name HD2)
or (resid 62 and name HD11) (resid 33 and name HD1)
or (resid 62 and name HD11) (resid 33 and name HD2)
or (resid 62 and name HD13) (resid 33 and name HD1)
or (resid 62 and name HD13) (resid 33 and name HD2)
assign (resid 62 and name HD12) (resid 68 and name HE1) 2.430 0.738 2.238 weight 1.000 ! spec=HCH_al, no=2034, id=3740, vol=1.150000e+07
or (resid 62 and name HD12) (resid 68 and name HE2)
or (resid 62 and name HD11) (resid 68 and name HE1)
or (resid 62 and name HD11) (resid 68 and name HE2)
or (resid 62 and name HD13) (resid 68 and name HE1)
or (resid 62 and name HD13) (resid 68 and name HE2)
assign (resid 62 and name HD12) (resid 68 and name HD1) 2.452 0.751 2.251 weight 1.000 ! spec=HCH_al, no=2035, id=3741, vol=1.090000e+07
or (resid 62 and name HD12) (resid 68 and name HD2)
or (resid 62 and name HD11) (resid 68 and name HD1)
or (resid 62 and name HD11) (resid 68 and name HD2)
or (resid 62 and name HD13) (resid 68 and name HD1)
or (resid 62 and name HD13) (resid 68 and name HD2)
assign (resid 62 and name HD12) (resid 76 and name HE3) 2.749 0.945 2.445 weight 1.000 ! spec=HCH_al, no=2036, id=3742, vol=5.480000e+06
or (resid 62 and name HD11) (resid 76 and name HE3)
or (resid 62 and name HD13) (resid 76 and name HE3)
assign (resid 62 and name HD12) (resid 68 and name HZ) 2.719 0.924 2.424 weight 1.000 ! spec=HCH_al, no=2037, id=3743, vol=5.860000e+06
or (resid 62 and name HD11) (resid 68 and name HZ)
or (resid 62 and name HD13) (resid 68 and name HZ)
assign (resid 62 and name HD22) (resid 62 and name HG) 2.221 0.617 2.117 weight 1.000 ! spec=HCH_al, no=2040, id=3745, vol=1.970000e+07
or (resid 62 and name HD21) (resid 62 and name HG)
or (resid 62 and name HD23) (resid 62 and name HG)
assign (resid 62 and name HD22) (resid 17 and name HG22) 2.589 0.838 2.338 weight 1.000 ! spec=HCH_al, no=2042, id=3747, vol=7.860000e+06
or (resid 62 and name HD22) (resid 17 and name HG21)
or (resid 62 and name HD22) (resid 17 and name HG23)
or (resid 62 and name HD22) (resid 17 and name HG12)
or (resid 62 and name HD22) (resid 17 and name HG11)
or (resid 62 and name HD22) (resid 17 and name HG13)
or (resid 62 and name HD21) (resid 17 and name HG22)
or (resid 62 and name HD21) (resid 17 and name HG21)
or (resid 62 and name HD21) (resid 17 and name HG23)
or (resid 62 and name HD21) (resid 17 and name HG12)
or (resid 62 and name HD21) (resid 17 and name HG11)
or (resid 62 and name HD21) (resid 17 and name HG13)
or (resid 62 and name HD23) (resid 17 and name HG22)
or (resid 62 and name HD23) (resid 17 and name HG21)
or (resid 62 and name HD23) (resid 17 and name HG23)
or (resid 62 and name HD23) (resid 17 and name HG12)
or (resid 62 and name HD23) (resid 17 and name HG11)
or (resid 62 and name HD23) (resid 17 and name HG13)
assign (resid 20 and name HB2) (resid 62 and name HD22) 2.546 0.811 2.311 weight 1.000 ! spec=HCH_al, no=2043, id=3748, vol=8.680000e+06
or (resid 20 and name HB2) (resid 62 and name HD21)
or (resid 20 and name HB2) (resid 62 and name HD23)
or (resid 20 and name HB1) (resid 62 and name HD22)
or (resid 20 and name HB1) (resid 62 and name HD21)
or (resid 20 and name HB1) (resid 62 and name HD23)
or (resid 20 and name HB3) (resid 62 and name HD22)
or (resid 20 and name HB3) (resid 62 and name HD21)
or (resid 20 and name HB3) (resid 62 and name HD23)
assign (resid 62 and name HA) (resid 62 and name HD22) 2.475 0.766 2.266 weight 1.000 ! spec=HCH_al, no=2044, id=3749, vol=1.030000e+07
or (resid 62 and name HA) (resid 62 and name HD21)
or (resid 62 and name HA) (resid 62 and name HD23)
assign (resid 59 and name HA) (resid 62 and name HD22) 2.366 0.700 2.2 weight 1.000 ! spec=HCH_al, no=2045, id=3750, vol=1.350000e+07
or (resid 59 and name HA) (resid 62 and name HD21)
or (resid 59 and name HA) (resid 62 and name HD23)
assign (resid 17 and name HA) (resid 62 and name HD22) 3.242 1.313 2.813 weight 1.000 ! spec=HCH_al, no=2046, id=3751, vol=2.040000e+06
or (resid 17 and name HA) (resid 62 and name HD21)
or (resid 17 and name HA) (resid 62 and name HD23)
assign (resid 62 and name HD22) (resid 33 and name HE1) 2.255 0.636 2.136 weight 1.000 ! spec=HCH_al, no=2049, id=3753, vol=1.800000e+07
or (resid 62 and name HD22) (resid 33 and name HE2)
or (resid 62 and name HD21) (resid 33 and name HE1)
or (resid 62 and name HD21) (resid 33 and name HE2)
or (resid 62 and name HD23) (resid 33 and name HE1)
or (resid 62 and name HD23) (resid 33 and name HE2)
assign (resid 62 and name HD22) (resid 33 and name HD1) 2.375 0.705 2.205 weight 1.000 ! spec=HCH_al, no=2050, id=3754, vol=1.320000e+07
or (resid 62 and name HD22) (resid 33 and name HD2)
or (resid 62 and name HD21) (resid 33 and name HD1)
or (resid 62 and name HD21) (resid 33 and name HD2)
or (resid 62 and name HD23) (resid 33 and name HD1)
or (resid 62 and name HD23) (resid 33 and name HD2)
assign (resid 62 and name HN) (resid 62 and name HD22) 2.616 0.856 2.356 weight 1.000 ! spec=HCH_al, no=2056, id=3760, vol=7.380000e+06
or (resid 62 and name HN) (resid 62 and name HD21)
or (resid 62 and name HN) (resid 62 and name HD23)
assign (resid 64 and name HB) (resid 64 and name HG22) 1.813 0.411 1.911 weight 1.000 ! spec=HCH_al, no=2057, id=3761, vol=6.670000e+07
or (resid 64 and name HB) (resid 64 and name HG21)
or (resid 64 and name HB) (resid 64 and name HG23)
assign (resid 64 and name HG22) (resid 63 and name HB1) 2.691 0.905 2.405 weight 1.000 ! spec=HCH_al, no=2058, id=3762, vol=6.230000e+06
or (resid 64 and name HG21) (resid 63 and name HB1)
or (resid 64 and name HG23) (resid 63 and name HB1)
assign (resid 64 and name HG22) (resid 63 and name HB2) 2.747 0.943 2.443 weight 1.000 ! spec=HCH_al, no=2059, id=3763, vol=5.510000e+06
or (resid 64 and name HG21) (resid 63 and name HB2)
or (resid 64 and name HG23) (resid 63 and name HB2)
assign (resid 64 and name HA) (resid 64 and name HG22) 1.922 0.462 1.962 weight 1.000 ! spec=HCH_al, no=2060, id=3764, vol=4.690000e+07
or (resid 64 and name HA) (resid 64 and name HG21)
or (resid 64 and name HA) (resid 64 and name HG23)
assign (resid 64 and name HN) (resid 64 and name HG22) 2.263 0.640 2.14 weight 1.000 ! spec=HCH_al, no=2061, id=3765, vol=1.760000e+07
or (resid 64 and name HN) (resid 64 and name HG21)
or (resid 64 and name HN) (resid 64 and name HG23)
assign (resid 64 and name HN) (resid 64 and name HG11) 2.585 0.835 2.335 weight 1.000 ! spec=HCH_al, no=2064, id=3768, vol=7.940000e+06
assign (resid 64 and name HG11) (resid 65 and name HN) 3.097 1.199 2.699 weight 1.000 ! spec=HCH_al, no=2065, id=3769, vol=2.680000e+06
assign (resid 69 and name HB2) (resid 69 and name HD22) 2.157 0.582 2.082 weight 1.000 ! spec=HCH_al, no=2068, id=3772, vol=2.350000e+07
or (resid 69 and name HB2) (resid 69 and name HD21)
or (resid 69 and name HB2) (resid 69 and name HD23)
assign (resid 82 and name HB2) (resid 69 and name HD22) 2.770 0.959 2.459 weight 1.000 ! spec=HCH_al, no=2070, id=3774, vol=5.240000e+06
or (resid 82 and name HB2) (resid 69 and name HD21)
or (resid 82 and name HB2) (resid 69 and name HD23)
assign (resid 79 and name HA) (resid 69 and name HD22) 2.437 0.742 2.242 weight 1.000 ! spec=HCH_al, no=2071, id=3775, vol=1.130000e+07
or (resid 79 and name HA) (resid 69 and name HD21)
or (resid 79 and name HA) (resid 69 and name HD23)
assign (resid 69 and name HD22) (resid 82 and name HE1) 2.519 0.793 2.293 weight 1.000 ! spec=HCH_al, no=2072, id=3776, vol=9.270000e+06
or (resid 69 and name HD22) (resid 82 and name HE2)
or (resid 69 and name HD21) (resid 82 and name HE1)
or (resid 69 and name HD21) (resid 82 and name HE2)
or (resid 69 and name HD23) (resid 82 and name HE1)
or (resid 69 and name HD23) (resid 82 and name HE2)
assign (resid 79 and name HN) (resid 69 and name HD22) 2.690 0.904 2.404 weight 1.000 ! spec=HCH_al, no=2074, id=3778, vol=6.250000e+06
or (resid 79 and name HN) (resid 69 and name HD21)
or (resid 79 and name HN) (resid 69 and name HD23)
assign (resid 70 and name HA) (resid 71 and name HD22) 3.362 1.413 2.913 weight 1.000 ! spec=HCH_al, no=2077, id=3781, vol=1.640000e+06
or (resid 70 and name HA) (resid 71 and name HD21)
or (resid 70 and name HA) (resid 71 and name HD23)
assign (resid 70 and name HB2) (resid 73 and name HA) 3.101 1.202 2.702 weight 1.000 ! spec=HCH_al, no=2081, id=3785, vol=2.660000e+06
or (resid 70 and name HB1) (resid 73 and name HA)
or (resid 70 and name HB3) (resid 73 and name HA)
assign (resid 69 and name HN) (resid 70 and name HB2) 3.379 1.427 2.927 weight 1.000 ! spec=HCH_al, no=2082, id=3786, vol=1.590000e+06
or (resid 69 and name HN) (resid 70 and name HB1)
or (resid 69 and name HN) (resid 70 and name HB3)
assign (resid 79 and name HG1) (resid 79 and name HD2) 2.811 0.988 2.488 weight 1.000 ! spec=HCH_al, no=2083, id=3787, vol=4.800000e+06
assign (resid 3 and name HN) (resid 3 and name HG11) 3.266 1.333 2.833 weight 1.000 ! spec=HCH_al, no=2084, id=3788, vol=1.950000e+06
assign (resid 71 and name HD12) (resid 71 and name HG) 2.021 0.511 2.011 weight 1.000 ! spec=HCH_al, no=2085, id=3789, vol=3.470000e+07
or (resid 71 and name HD11) (resid 71 and name HG)
or (resid 71 and name HD13) (resid 71 and name HG)
assign (resid 30 and name HB1) (resid 71 and name HD12) 2.251 0.633 2.133 weight 1.000 ! spec=HCH_al, no=2086, id=3790, vol=1.820000e+07
or (resid 30 and name HB1) (resid 71 and name HD11)
or (resid 30 and name HB1) (resid 71 and name HD13)
assign (resid 30 and name HG2) (resid 71 and name HD12) 2.125 0.564 2.064 weight 1.000 ! spec=HCH_al, no=2087, id=3791, vol=2.570000e+07
or (resid 30 and name HG2) (resid 71 and name HD11)
or (resid 30 and name HG2) (resid 71 and name HD13)
assign (resid 30 and name HB2) (resid 71 and name HD12) 2.183 0.595 2.095 weight 1.000 ! spec=HCH_al, no=2088, id=3792, vol=2.190000e+07
or (resid 30 and name HB2) (resid 71 and name HD11)
or (resid 30 and name HB2) (resid 71 and name HD13)
assign (resid 76 and name HA) (resid 71 and name HD12) 2.720 0.925 2.425 weight 1.000 ! spec=HCH_al, no=2089, id=3793, vol=5.840000e+06
or (resid 76 and name HA) (resid 71 and name HD11)
or (resid 76 and name HA) (resid 71 and name HD13)
assign (resid 71 and name HD12) (resid 75 and name HA) 2.882 1.038 2.538 weight 1.000 ! spec=HCH_al, no=2090, id=3794, vol=4.130000e+06
or (resid 71 and name HD11) (resid 75 and name HA)
or (resid 71 and name HD13) (resid 75 and name HA)
assign (resid 30 and name HA) (resid 71 and name HD12) 2.683 0.900 2.4 weight 1.000 ! spec=HCH_al, no=2091, id=3795, vol=6.350000e+06
or (resid 30 and name HA) (resid 71 and name HD11)
or (resid 30 and name HA) (resid 71 and name HD13)
assign (resid 75 and name HN) (resid 71 and name HD12) 2.783 0.968 2.468 weight 1.000 ! spec=HCH_al, no=2093, id=3797, vol=5.090000e+06
or (resid 75 and name HN) (resid 71 and name HD11)
or (resid 75 and name HN) (resid 71 and name HD13)
assign (resid 71 and name HD12) (resid 77 and name HN) 2.531 0.801 2.301 weight 1.000 ! spec=HCH_al, no=2095, id=3799, vol=9.000000e+06
or (resid 71 and name HD11) (resid 77 and name HN)
or (resid 71 and name HD13) (resid 77 and name HN)
assign (resid 71 and name HD22) (resid 71 and name HD12) 1.585 0.314 1.814 weight 1.000 ! spec=HCH_al, no=2096, id=3800, vol=1.490000e+08
or (resid 71 and name HD22) (resid 71 and name HD11)
or (resid 71 and name HD22) (resid 71 and name HD13)
or (resid 71 and name HD21) (resid 71 and name HD12)
or (resid 71 and name HD21) (resid 71 and name HD11)
or (resid 71 and name HD21) (resid 71 and name HD13)
or (resid 71 and name HD23) (resid 71 and name HD12)
or (resid 71 and name HD23) (resid 71 and name HD11)
or (resid 71 and name HD23) (resid 71 and name HD13)
assign (resid 71 and name HD22) (resid 69 and name HG) 2.165 0.586 2.086 weight 1.000 ! spec=HCH_al, no=2097, id=3801, vol=2.300000e+07
or (resid 71 and name HD21) (resid 69 and name HG)
or (resid 71 and name HD23) (resid 69 and name HG)
assign (resid 71 and name HG) (resid 71 and name HD22) 1.948 0.474 1.974 weight 1.000 ! spec=HCH_al, no=2098, id=3802, vol=4.330000e+07
or (resid 71 and name HG) (resid 71 and name HD21)
or (resid 71 and name HG) (resid 71 and name HD23)
assign (resid 30 and name HG1) (resid 71 and name HD22) 2.551 0.814 2.314 weight 1.000 ! spec=HCH_al, no=2099, id=3803, vol=8.580000e+06
or (resid 30 and name HG1) (resid 71 and name HD21)
or (resid 30 and name HG1) (resid 71 and name HD23)
assign (resid 30 and name HB2) (resid 71 and name HD22) 2.587 0.837 2.337 weight 1.000 ! spec=HCH_al, no=2100, id=3804, vol=7.890000e+06
or (resid 30 and name HB2) (resid 71 and name HD21)
or (resid 30 and name HB2) (resid 71 and name HD23)
assign (resid 71 and name HA) (resid 71 and name HD22) 2.108 0.555 2.055 weight 1.000 ! spec=HCH_al, no=2101, id=3805, vol=2.700000e+07
or (resid 71 and name HA) (resid 71 and name HD21)
or (resid 71 and name HA) (resid 71 and name HD23)
assign (resid 71 and name HD22) (resid 81 and name HZ3) 2.528 0.799 2.299 weight 1.000 ! spec=HCH_al, no=2102, id=3806, vol=9.070000e+06
or (resid 71 and name HD21) (resid 81 and name HZ3)
or (resid 71 and name HD23) (resid 81 and name HZ3)
assign (resid 71 and name HN) (resid 71 and name HD22) 2.552 0.814 2.314 weight 1.000 ! spec=HCH_al, no=2105, id=3809, vol=8.570000e+06
or (resid 71 and name HN) (resid 71 and name HD21)
or (resid 71 and name HN) (resid 71 and name HD23)
assign (resid 71 and name HD22) (resid 77 and name HN) 2.856 1.020 2.52 weight 1.000 ! spec=HCH_al, no=2106, id=3810, vol=4.360000e+06
or (resid 71 and name HD21) (resid 77 and name HN)
or (resid 71 and name HD23) (resid 77 and name HN)
assign (resid 81 and name HN) (resid 80 and name HA) 2.775 0.963 2.463 weight 1.000 ! spec=HCH_al, no=2107, id=3811, vol=5.180000e+06
assign (resid 74 and name HN) (resid 73 and name HB2) 3.362 1.413 2.913 weight 1.000 ! spec=HCH_al, no=2109, id=3813, vol=1.640000e+06
assign (resid 75 and name HA) (resid 75 and name HB) 2.788 0.972 2.472 weight 1.000 ! spec=HCH_al, no=2110, id=3814, vol=5.040000e+06
assign (resid 33 and name HN) (resid 75 and name HG21) 2.776 0.963 2.463 weight 1.000 ! spec=HCH_al, no=2111, id=3815, vol=5.170000e+06
or (resid 33 and name HN) (resid 75 and name HG22)
or (resid 33 and name HN) (resid 75 and name HG23)
assign (resid 75 and name HN) (resid 75 and name HG21) 2.378 0.707 2.207 weight 1.000 ! spec=HCH_al, no=2112, id=3816, vol=1.310000e+07
or (resid 75 and name HN) (resid 75 and name HG22)
or (resid 75 and name HN) (resid 75 and name HG23)
assign (resid 32 and name HB2) (resid 75 and name HG21) 2.437 0.742 2.242 weight 1.000 ! spec=HCH_al, no=2113, id=3817, vol=1.130000e+07
or (resid 32 and name HB2) (resid 75 and name HG22)
or (resid 32 and name HB2) (resid 75 and name HG23)
assign (resid 75 and name HA) (resid 75 and name HG21) 2.288 0.654 2.154 weight 1.000 ! spec=HCH_al, no=2115, id=3819, vol=1.650000e+07
or (resid 75 and name HA) (resid 75 and name HG22)
or (resid 75 and name HA) (resid 75 and name HG23)
assign (resid 76 and name HA) (resid 69 and name HB1) 3.447 1.486 2.986 weight 1.000 ! spec=HCH_al, no=2117, id=3821, vol=1.410000e+06
assign (resid 78 and name HG) (resid 81 and name HZ2) 3.604 1.624 3.124 weight 1.000 ! spec=HCH_al, no=2121, id=3824, vol=1.080000e+06
assign (resid 78 and name HD12) (resid 78 and name HB1) 2.360 0.696 2.196 weight 1.000 ! spec=HCH_al, no=2122, id=3825, vol=1.370000e+07
or (resid 78 and name HD11) (resid 78 and name HB1)
or (resid 78 and name HD13) (resid 78 and name HB1)
assign (resid 78 and name HD22) (resid 78 and name HD12) 1.983 0.492 1.992 weight 1.000 ! spec=HCH_al, no=2123, id=3826, vol=3.890000e+07
or (resid 78 and name HD22) (resid 78 and name HD11)
or (resid 78 and name HD22) (resid 78 and name HD13)
or (resid 78 and name HD21) (resid 78 and name HD12)
or (resid 78 and name HD21) (resid 78 and name HD11)
or (resid 78 and name HD21) (resid 78 and name HD13)
or (resid 78 and name HD23) (resid 78 and name HD12)
or (resid 78 and name HD23) (resid 78 and name HD11)
or (resid 78 and name HD23) (resid 78 and name HD13)
assign (resid 78 and name HG) (resid 78 and name HD12) 1.982 0.491 1.991 weight 1.000 ! spec=HCH_al, no=2124, id=3827, vol=3.910000e+07
or (resid 78 and name HG) (resid 78 and name HD11)
or (resid 78 and name HG) (resid 78 and name HD13)
assign (resid 78 and name HD12) (resid 81 and name HD1) 2.907 1.057 2.557 weight 1.000 ! spec=HCH_al, no=2127, id=3830, vol=3.920000e+06
or (resid 78 and name HD11) (resid 81 and name HD1)
or (resid 78 and name HD13) (resid 81 and name HD1)
assign (resid 24 and name HN) (resid 78 and name HD12) 2.819 0.993 2.493 weight 1.000 ! spec=HCH_al, no=2129, id=3832, vol=4.720000e+06
or (resid 24 and name HN) (resid 78 and name HD11)
or (resid 24 and name HN) (resid 78 and name HD13)
assign (resid 78 and name HD12) (resid 81 and name HE1) 2.332 0.680 2.18 weight 1.000 ! spec=HCH_al, no=2130, id=3833, vol=1.470000e+07
or (resid 78 and name HD11) (resid 81 and name HE1)
or (resid 78 and name HD13) (resid 81 and name HE1)
assign (resid 78 and name HG) (resid 78 and name HD22) 2.219 0.616 2.116 weight 1.000 ! spec=HCH_al, no=2131, id=3834, vol=1.980000e+07
or (resid 78 and name HG) (resid 78 and name HD21)
or (resid 78 and name HG) (resid 78 and name HD23)
assign (resid 69 and name HN) (resid 78 and name HD22) 2.773 0.962 2.462 weight 1.000 ! spec=HCH_al, no=2133, id=3836, vol=5.200000e+06
or (resid 69 and name HN) (resid 78 and name HD21)
or (resid 69 and name HN) (resid 78 and name HD23)
assign (resid 79 and name HB1) (resid 79 and name HD2) 3.041 1.156 2.656 weight 1.000 ! spec=HCH_al, no=2136, id=3839, vol=2.990000e+06
assign (resid 79 and name HB1) (resid 79 and name HD1) 3.033 1.150 2.65 weight 1.000 ! spec=HCH_al, no=2138, id=3841, vol=3.040000e+06
assign (resid 79 and name HB2) (resid 79 and name HD1) 3.101 1.202 2.702 weight 1.000 ! spec=HCH_al, no=2139, id=3842, vol=2.660000e+06
assign (resid 79 and name HN) (resid 79 and name HG1) 2.960 1.095 2.595 weight 1.000 ! spec=HCH_al, no=2142, id=3845, vol=3.520000e+06
assign (resid 79 and name HG2) (resid 79 and name HN) 4.702 2.764 4.264 weight 1.000 ! spec=HCH_al, no=2143, id=3846, vol=2.190000e+05
assign (resid 42 and name HN) (resid 42 and name HB2) 2.059 0.530 2.03 weight 1.000 ! spec=HCH_al, no=2146, id=3849, vol=3.110000e+07
or (resid 42 and name HN) (resid 42 and name HB1)
assign (resid 82 and name HB1) (resid 82 and name HA) 2.729 0.931 2.431 weight 1.000 ! spec=HCH_al, no=2150, id=3852, vol=5.730000e+06
assign (resid 82 and name HB1) (resid 84 and name HE1) 3.283 1.347 2.847 weight 1.000 ! spec=HCH_al, no=2151, id=3853, vol=1.890000e+06
or (resid 82 and name HB1) (resid 84 and name HE2)
assign (resid 149 and name HA) (resid 56 and name HA) 3.710 1.720 3.22 weight 1.000 ! spec=HCH_al, no=2158, id=3857, vol=9.080000e+05
assign (resid 149 and name HA) (resid 57 and name HA) 3.503 1.534 3.034 weight 1.000 ! spec=HCH_al, no=2159, id=3858, vol=1.280000e+06
assign (resid 86 and name HE21) (resid 86 and name HG1) 2.616 0.855 2.355 weight 1.000 ! spec=HCH_al, no=2167, id=3866, vol=7.390000e+06
assign (resid 86 and name HB1) (resid 87 and name HN) 3.286 1.350 2.85 weight 1.000 ! spec=HCH_al, no=2173, id=3871, vol=1.880000e+06
assign (resid 7 and name HB1) (resid 7 and name HA) 2.325 0.675 2.175 weight 1.000 ! spec=HCH_al, no=2178, id=3874, vol=1.500000e+07
assign (resid 14 and name HB2) (resid 11 and name HA) 2.648 0.877 2.377 weight 1.000 ! spec=HCH_al, no=2179, id=3875, vol=6.860000e+06
or (resid 14 and name HB1) (resid 11 and name HA)
assign (resid 80 and name HB1) (resid 81 and name HN) 3.645 1.660 3.16 weight 1.000 ! spec=HCH_al, no=2181, id=3877, vol=1.010000e+06
assign (resid 31 and name HG12) (resid 31 and name HB) 1.964 0.482 1.982 weight 1.000 ! spec=HCH_al, no=2194, id=3878, vol=4.130000e+07
or (resid 31 and name HG11) (resid 31 and name HB)
or (resid 31 and name HG13) (resid 31 and name HB)
assign (resid 31 and name HG12) (resid 36 and name HN) 2.554 0.816 2.316 weight 1.000 ! spec=HCH_al, no=2199, id=3883, vol=8.520000e+06
or (resid 31 and name HG11) (resid 36 and name HN)
or (resid 31 and name HG13) (resid 36 and name HN)
assign (resid 31 and name HG22) (resid 31 and name HB) 1.976 0.488 1.988 weight 1.000 ! spec=HCH_al, no=2202, id=3886, vol=3.980000e+07
or (resid 31 and name HG21) (resid 31 and name HB)
or (resid 31 and name HG23) (resid 31 and name HB)
assign (resid 31 and name HG22) (resid 36 and name HB1) 2.423 0.734 2.234 weight 1.000 ! spec=HCH_al, no=2203, id=3887, vol=1.170000e+07
or (resid 31 and name HG21) (resid 36 and name HB1)
or (resid 31 and name HG23) (resid 36 and name HB1)
assign (resid 31 and name HG22) (resid 36 and name HB2) 2.538 0.805 2.305 weight 1.000 ! spec=HCH_al, no=2204, id=3888, vol=8.850000e+06
or (resid 31 and name HG21) (resid 36 and name HB2)
or (resid 31 and name HG23) (resid 36 and name HB2)
assign (resid 31 and name HG22) (resid 36 and name HA) 2.366 0.700 2.2 weight 1.000 ! spec=HCH_al, no=2209, id=3893, vol=1.350000e+07
or (resid 31 and name HG21) (resid 36 and name HA)
or (resid 31 and name HG23) (resid 36 and name HA)
assign (resid 31 and name HA) (resid 31 and name HG22) 2.274 0.647 2.147 weight 1.000 ! spec=HCH_al, no=2211, id=3895, vol=1.710000e+07
or (resid 31 and name HA) (resid 31 and name HG21)
or (resid 31 and name HA) (resid 31 and name HG23)
assign (resid 30 and name HA) (resid 31 and name HG22) 2.552 0.814 2.314 weight 1.000 ! spec=HCH_al, no=2212, id=3896, vol=8.560000e+06
or (resid 30 and name HA) (resid 31 and name HG21)
or (resid 30 and name HA) (resid 31 and name HG23)
assign (resid 31 and name HN) (resid 31 and name HG22) 2.176 0.592 2.092 weight 1.000 ! spec=HCH_al, no=2219, id=3903, vol=2.230000e+07
or (resid 31 and name HN) (resid 31 and name HG21)
or (resid 31 and name HN) (resid 31 and name HG23)
assign (resid 46 and name HG12) (resid 46 and name HG22) 1.668 0.348 1.848 weight 1.000 ! spec=HCH_al, no=2220, id=3904, vol=1.100000e+08
or (resid 46 and name HG12) (resid 46 and name HG21)
or (resid 46 and name HG12) (resid 46 and name HG23)
or (resid 46 and name HG11) (resid 46 and name HG22)
or (resid 46 and name HG11) (resid 46 and name HG21)
or (resid 46 and name HG11) (resid 46 and name HG23)
or (resid 46 and name HG13) (resid 46 and name HG22)
or (resid 46 and name HG13) (resid 46 and name HG21)
or (resid 46 and name HG13) (resid 46 and name HG23)
assign (resid 46 and name HG12) (resid 44 and name HB1) 2.332 0.680 2.18 weight 1.000 ! spec=HCH_al, no=2222, id=3905, vol=1.470000e+07
or (resid 46 and name HG11) (resid 44 and name HB1)
or (resid 46 and name HG13) (resid 44 and name HB1)
assign (resid 46 and name HG12) (resid 44 and name HG) 2.378 0.707 2.207 weight 1.000 ! spec=HCH_al, no=2223, id=3906, vol=1.310000e+07
or (resid 46 and name HG11) (resid 44 and name HG)
or (resid 46 and name HG13) (resid 44 and name HG)
assign (resid 46 and name HB) (resid 46 and name HG12) 1.882 0.443 1.943 weight 1.000 ! spec=HCH_al, no=2224, id=3907, vol=5.320000e+07
or (resid 46 and name HB) (resid 46 and name HG11)
or (resid 46 and name HB) (resid 46 and name HG13)
assign (resid 46 and name HA) (resid 46 and name HG12) 1.996 0.498 1.998 weight 1.000 ! spec=HCH_al, no=2228, id=3911, vol=3.740000e+07
or (resid 46 and name HA) (resid 46 and name HG11)
or (resid 46 and name HA) (resid 46 and name HG13)
assign (resid 46 and name HN) (resid 46 and name HG12) 2.231 0.622 2.122 weight 1.000 ! spec=HCH_al, no=2229, id=3912, vol=1.920000e+07
or (resid 46 and name HN) (resid 46 and name HG11)
or (resid 46 and name HN) (resid 46 and name HG13)
assign (resid 46 and name HG22) (resid 44 and name HB1) 2.208 0.610 2.11 weight 1.000 ! spec=HCH_al, no=2232, id=3915, vol=2.040000e+07
or (resid 46 and name HG21) (resid 44 and name HB1)
or (resid 46 and name HG23) (resid 44 and name HB1)
assign (resid 40 and name HG12) (resid 40 and name HG22) 2.001 0.500 2 weight 1.000 ! spec=HCH_al, no=2233, id=3916, vol=3.690000e+07
or (resid 40 and name HG12) (resid 40 and name HG21)
or (resid 40 and name HG12) (resid 40 and name HG23)
assign (resid 46 and name HA) (resid 46 and name HG22) 2.338 0.683 2.183 weight 1.000 ! spec=HCH_al, no=2234, id=3917, vol=1.450000e+07
or (resid 46 and name HA) (resid 46 and name HG21)
or (resid 46 and name HA) (resid 46 and name HG23)
assign (resid 22 and name HG2) (resid 3 and name HD12) 2.834 1.004 2.504 weight 1.000 ! spec=HCH_al, no=2235, id=3918, vol=4.570000e+06
or (resid 22 and name HG2) (resid 3 and name HD11)
or (resid 22 and name HG2) (resid 3 and name HD13)
assign (resid 22 and name HA) (resid 3 and name HD12) 3.213 1.291 2.791 weight 1.000 ! spec=HCH_al, no=2236, id=3919, vol=2.150000e+06
or (resid 22 and name HA) (resid 3 and name HD11)
or (resid 22 and name HA) (resid 3 and name HD13)
assign (resid 19 and name HG22) (resid 40 and name HD12) 2.128 0.566 2.066 weight 1.000 ! spec=HCH_al, no=2239, id=3921, vol=2.550000e+07
or (resid 19 and name HG22) (resid 40 and name HD11)
or (resid 19 and name HG22) (resid 40 and name HD13)
or (resid 19 and name HG21) (resid 40 and name HD12)
or (resid 19 and name HG21) (resid 40 and name HD11)
or (resid 19 and name HG21) (resid 40 and name HD13)
or (resid 19 and name HG23) (resid 40 and name HD12)
or (resid 19 and name HG23) (resid 40 and name HD11)
or (resid 19 and name HG23) (resid 40 and name HD13)
assign (resid 75 and name HG21) (resid 71 and name HD12) 2.160 0.583 2.083 weight 1.000 ! spec=HCH_al, no=2242, id=3924, vol=2.330000e+07
or (resid 75 and name HG21) (resid 71 and name HD11)
or (resid 75 and name HG21) (resid 71 and name HD13)
or (resid 75 and name HG22) (resid 71 and name HD12)
or (resid 75 and name HG22) (resid 71 and name HD11)
or (resid 75 and name HG22) (resid 71 and name HD13)
or (resid 75 and name HG23) (resid 71 and name HD12)
or (resid 75 and name HG23) (resid 71 and name HD11)
or (resid 75 and name HG23) (resid 71 and name HD13)
assign (resid 11 and name HD12) (resid 44 and name HA) 2.243 0.629 2.129 weight 1.000 ! spec=HCH_al, no=2246, id=3927, vol=1.860000e+07
or (resid 11 and name HD11) (resid 44 and name HA)
or (resid 11 and name HD13) (resid 44 and name HA)
assign (resid 69 and name HD12) (resid 69 and name HD22) 1.760 0.387 1.887 weight 1.000 ! spec=HCH_al, no=2248, id=3929, vol=7.950000e+07
or (resid 69 and name HD12) (resid 69 and name HD21)
or (resid 69 and name HD12) (resid 69 and name HD23)
or (resid 69 and name HD11) (resid 69 and name HD22)
or (resid 69 and name HD11) (resid 69 and name HD21)
or (resid 69 and name HD11) (resid 69 and name HD23)
or (resid 69 and name HD13) (resid 69 and name HD22)
or (resid 69 and name HD13) (resid 69 and name HD21)
or (resid 69 and name HD13) (resid 69 and name HD23)
assign (resid 71 and name HD22) (resid 76 and name HA) 2.762 0.954 2.454 weight 1.000 ! spec=HCH_al, no=2250, id=3931, vol=5.330000e+06
or (resid 71 and name HD21) (resid 76 and name HA)
or (resid 71 and name HD23) (resid 76 and name HA)
assign (resid 30 and name HA) (resid 71 and name HD22) 3.117 1.215 2.715 weight 1.000 ! spec=HCH_al, no=2251, id=3932, vol=2.580000e+06
or (resid 30 and name HA) (resid 71 and name HD21)
or (resid 30 and name HA) (resid 71 and name HD23)
assign (resid 62 and name HD22) (resid 33 and name HB2) 3.201 1.281 2.781 weight 1.000 ! spec=HCH_al, no=2253, id=3934, vol=2.200000e+06
or (resid 62 and name HD21) (resid 33 and name HB2)
or (resid 62 and name HD23) (resid 33 and name HB2)
assign (resid 69 and name HD22) (resid 79 and name HD2) 2.920 1.066 2.566 weight 1.000 ! spec=HCH_al, no=2262, id=3935, vol=3.820000e+06
or (resid 69 and name HD21) (resid 79 and name HD2)
or (resid 69 and name HD23) (resid 79 and name HD2)
assign (resid 21 and name HN) (resid 18 and name HA) 3.080 1.186 2.686 weight 1.000 ! spec=HCH_al, no=2265, id=3938, vol=2.770000e+06
assign (resid 2 and name HA1) (resid 5 and name HG2) 3.014 1.135 2.635 weight 1.000 ! spec=HCH_al, no=2272, id=3942, vol=3.160000e+06
assign (resid 2 and name HA1) (resid 5 and name HG1) 2.891 1.045 2.545 weight 1.000 ! spec=HCH_al, no=2274, id=3944, vol=4.050000e+06
assign (resid 2 and name HA1) (resid 3 and name HG22) 2.862 1.024 2.524 weight 1.000 ! spec=HCH_al, no=2277, id=3947, vol=4.310000e+06
or (resid 2 and name HA1) (resid 3 and name HG21)
or (resid 2 and name HA1) (resid 3 and name HG23)
assign (resid 3 and name HN) (resid 3 and name HA) 2.790 0.973 2.473 weight 1.000 ! spec=HCH_al, no=2278, id=3948, vol=5.020000e+06
assign (resid 173 and name HN) (resid 172 and name HA) 2.225 0.619 2.119 weight 1.000 ! spec=HCH_al, no=2279, id=3949, vol=1.950000e+07
assign (resid 3 and name HA) (resid 5 and name HN) 2.905 1.055 2.555 weight 1.000 ! spec=HCH_al, no=2280, id=3950, vol=3.940000e+06
assign (resid 3 and name HA) (resid 19 and name HG22) 2.887 1.042 2.542 weight 1.000 ! spec=HCH_al, no=2282, id=3952, vol=4.090000e+06
or (resid 3 and name HA) (resid 19 and name HG21)
or (resid 3 and name HA) (resid 19 and name HG23)
assign (resid 118 and name HN) (resid 118 and name HB) 2.231 0.622 2.122 weight 1.000 ! spec=HCH_al, no=2286, id=3956, vol=1.920000e+07
assign (resid 72 and name HN) (resid 71 and name HG) 3.283 1.347 2.847 weight 1.000 ! spec=HCH_al, no=2291, id=3961, vol=1.890000e+06
assign (resid 3 and name HD12) (resid 4 and name HN) 2.829 1.000 2.5 weight 1.000 ! spec=HCH_al, no=2295, id=3965, vol=4.620000e+06
or (resid 3 and name HD11) (resid 4 and name HN)
or (resid 3 and name HD13) (resid 4 and name HN)
assign (resid 3 and name HD12) (resid 22 and name HG1) 2.251 0.633 2.133 weight 1.000 ! spec=HCH_al, no=2305, id=3975, vol=1.820000e+07
or (resid 3 and name HD11) (resid 22 and name HG1)
or (resid 3 and name HD13) (resid 22 and name HG1)
assign (resid 22 and name HB2) (resid 3 and name HD12) 2.028 0.514 2.014 weight 1.000 ! spec=HCH_al, no=2307, id=3977, vol=3.400000e+07
or (resid 22 and name HB2) (resid 3 and name HD11)
or (resid 22 and name HB2) (resid 3 and name HD13)
or (resid 22 and name HB1) (resid 3 and name HD12)
or (resid 22 and name HB1) (resid 3 and name HD11)
or (resid 22 and name HB1) (resid 3 and name HD13)
assign (resid 3 and name HG12) (resid 3 and name HD12) 1.906 0.454 1.954 weight 1.000 ! spec=HCH_al, no=2308, id=3978, vol=4.940000e+07
or (resid 3 and name HG12) (resid 3 and name HD11)
or (resid 3 and name HG12) (resid 3 and name HD13)
assign (resid 3 and name HG11) (resid 3 and name HD12) 1.958 0.479 1.979 weight 1.000 ! spec=HCH_al, no=2309, id=3979, vol=4.200000e+07
or (resid 3 and name HG11) (resid 3 and name HD11)
or (resid 3 and name HG11) (resid 3 and name HD13)
assign (resid 48 and name HB1) (resid 49 and name HN) 2.816 0.991 2.491 weight 1.000 ! spec=HCH_al, no=2311, id=3980, vol=4.750000e+06
assign (resid 4 and name HG1) (resid 4 and name HE2) 2.817 0.992 2.492 weight 1.000 ! spec=HCH_al, no=2313, id=3982, vol=4.740000e+06
or (resid 4 and name HG1) (resid 4 and name HE1)
assign (resid 12 and name HE2) (resid 44 and name HD22) 2.740 0.939 2.439 weight 1.000 ! spec=HCH_al, no=2316, id=3985, vol=5.590000e+06
or (resid 12 and name HE2) (resid 44 and name HD21)
or (resid 12 and name HE2) (resid 44 and name HD23)
or (resid 12 and name HE2) (resid 44 and name HD12)
or (resid 12 and name HE2) (resid 44 and name HD11)
or (resid 12 and name HE2) (resid 44 and name HD13)
or (resid 12 and name HE1) (resid 44 and name HD22)
or (resid 12 and name HE1) (resid 44 and name HD21)
or (resid 12 and name HE1) (resid 44 and name HD23)
or (resid 12 and name HE1) (resid 44 and name HD12)
or (resid 12 and name HE1) (resid 44 and name HD11)
or (resid 12 and name HE1) (resid 44 and name HD13)
assign (resid 28 and name HG2) (resid 28 and name HE2) 2.108 0.555 2.055 weight 1.000 ! spec=HCH_al, no=2318, id=3987, vol=2.700000e+07
or (resid 28 and name HG2) (resid 28 and name HE1)
or (resid 28 and name HG1) (resid 28 and name HE2)
or (resid 28 and name HG1) (resid 28 and name HE1)
assign (resid 12 and name HB2) (resid 12 and name HE2) 2.281 0.650 2.15 weight 1.000 ! spec=HCH_al, no=2321, id=3990, vol=1.680000e+07
or (resid 12 and name HB2) (resid 12 and name HE1)
assign (resid 47 and name HE2) (resid 49 and name HB2) 2.357 0.695 2.195 weight 1.000 ! spec=HCH_al, no=2322, id=3991, vol=1.380000e+07
or (resid 47 and name HE2) (resid 49 and name HB1)
or (resid 47 and name HE1) (resid 49 and name HB2)
or (resid 47 and name HE1) (resid 49 and name HB1)
assign (resid 15 and name HB2) (resid 18 and name HB1) 2.416 0.730 2.23 weight 1.000 ! spec=HCH_al, no=2326, id=3994, vol=1.190000e+07
or (resid 15 and name HB1) (resid 18 and name HB1)
or (resid 15 and name HB3) (resid 18 and name HB1)
assign (resid 5 and name HB2) (resid 5 and name HE22) 3.196 1.277 2.777 weight 1.000 ! spec=HCH_al, no=2327, id=3995, vol=2.220000e+06
or (resid 5 and name HB1) (resid 5 and name HE22)
assign (resid 23 and name HN) (resid 22 and name HB2) 2.561 0.820 2.32 weight 1.000 ! spec=HCH_al, no=2328, id=3996, vol=8.390000e+06
or (resid 23 and name HN) (resid 22 and name HB1)
assign (resid 8 and name HN) (resid 8 and name HB2) 2.491 0.776 2.276 weight 1.000 ! spec=HCH_al, no=2329, id=3997, vol=9.910000e+06
assign (resid 5 and name HG2) (resid 6 and name HA) 3.041 1.156 2.656 weight 1.000 ! spec=HCH_al, no=2331, id=3999, vol=2.990000e+06
assign (resid 29 and name HB2) (resid 29 and name HA) 2.743 0.940 2.44 weight 1.000 ! spec=HCH_al, no=2332, id=4000, vol=5.560000e+06
assign (resid 33 and name HB1) (resid 34 and name HN) 2.966 1.099 2.599 weight 1.000 ! spec=HCH_al, no=2335, id=4003, vol=3.480000e+06
assign (resid 33 and name HN) (resid 33 and name HB1) 2.922 1.068 2.568 weight 1.000 ! spec=HCH_al, no=2336, id=4004, vol=3.800000e+06
assign (resid 115 and name HN) (resid 115 and name HB1) 2.212 0.612 2.112 weight 1.000 ! spec=HCH_al, no=2340, id=4008, vol=2.020000e+07
assign (resid 139 and name HN) (resid 139 and name HB1) 2.381 0.708 2.208 weight 1.000 ! spec=HCH_al, no=2341, id=4009, vol=1.300000e+07
assign (resid 6 and name HN) (resid 6 and name HB2) 2.582 0.833 2.333 weight 1.000 ! spec=HCH_al, no=2342, id=4010, vol=7.990000e+06
assign (resid 115 and name HB1) (resid 115 and name HA) 2.335 0.682 2.182 weight 1.000 ! spec=HCH_al, no=2346, id=4014, vol=1.460000e+07
assign (resid 115 and name HA) (resid 115 and name HB2) 2.188 0.598 2.098 weight 1.000 ! spec=HCH_al, no=2348, id=4016, vol=2.160000e+07
assign (resid 165 and name HA) (resid 166 and name HN) 1.884 0.444 1.944 weight 1.000 ! spec=HCH_al, no=2356, id=4022, vol=5.290000e+07
assign (resid 8 and name HN) (resid 7 and name HB2) 2.668 0.890 2.39 weight 1.000 ! spec=HCH_al, no=2357, id=4023, vol=6.560000e+06
assign (resid 7 and name HN) (resid 7 and name HB2) 2.904 1.054 2.554 weight 1.000 ! spec=HCH_al, no=2358, id=4024, vol=3.950000e+06
assign (resid 9 and name HN) (resid 7 and name HB2) 2.931 1.074 2.574 weight 1.000 ! spec=HCH_al, no=2359, id=4025, vol=3.730000e+06
assign (resid 7 and name HB2) (resid 7 and name HA) 2.387 0.712 2.212 weight 1.000 ! spec=HCH_al, no=2362, id=4027, vol=1.280000e+07
assign (resid 9 and name HA) (resid 9 and name HB2) 2.390 0.714 2.214 weight 1.000 ! spec=HCH_al, no=2364, id=4028, vol=1.270000e+07
assign (resid 49 and name HA) (resid 49 and name HG1) 2.218 0.615 2.115 weight 1.000 ! spec=HCH_al, no=2365, id=4029, vol=1.990000e+07
assign (resid 39 and name HA) (resid 39 and name HG2) 2.561 0.820 2.32 weight 1.000 ! spec=HCH_al, no=2366, id=4030, vol=8.390000e+06
assign (resid 9 and name HA) (resid 10 and name HN) 2.517 0.792 2.292 weight 1.000 ! spec=HCH_al, no=2367, id=4031, vol=9.300000e+06
assign (resid 8 and name HA) (resid 12 and name HN) 2.931 1.074 2.574 weight 1.000 ! spec=HCH_al, no=2368, id=4032, vol=3.730000e+06
assign (resid 9 and name HN) (resid 9 and name HA) 2.393 0.716 2.216 weight 1.000 ! spec=HCH_al, no=2369, id=4033, vol=1.260000e+07
assign (resid 49 and name HN) (resid 49 and name HA) 2.403 0.722 2.222 weight 1.000 ! spec=HCH_al, no=2370, id=4034, vol=1.230000e+07
assign (resid 7 and name HN) (resid 10 and name HA) 3.431 1.472 2.972 weight 1.000 ! spec=HCH_al, no=2371, id=4035, vol=1.450000e+06
assign (resid 8 and name HA) (resid 44 and name HD22) 3.316 1.375 2.875 weight 1.000 ! spec=HCH_al, no=2375, id=4039, vol=1.780000e+06
or (resid 8 and name HA) (resid 44 and name HD21)
or (resid 8 and name HA) (resid 44 and name HD23)
or (resid 8 and name HA) (resid 44 and name HD12)
or (resid 8 and name HA) (resid 44 and name HD11)
or (resid 8 and name HA) (resid 44 and name HD13)
assign (resid 26 and name HB1) (resid 24 and name HN) 3.105 1.205 2.705 weight 1.000 ! spec=HCH_al, no=2387, id=4050, vol=2.640000e+06
assign (resid 57 and name HE22) (resid 57 and name HA) 3.266 1.333 2.833 weight 1.000 ! spec=HCH_al, no=2392, id=4055, vol=1.950000e+06
assign (resid 31 and name HG12) (resid 36 and name HB2) 2.883 1.039 2.539 weight 1.000 ! spec=HCH_al, no=2396, id=4059, vol=4.120000e+06
or (resid 31 and name HG11) (resid 36 and name HB2)
or (resid 31 and name HG13) (resid 36 and name HB2)
assign (resid 43 and name HB2) (resid 43 and name HB1) 2.056 0.529 2.029 weight 1.000 ! spec=HCH_al, no=2399, id=4062, vol=3.130000e+07
assign (resid 51 and name HB2) (resid 51 and name HA) 2.867 1.028 2.528 weight 1.000 ! spec=HCH_al, no=2403, id=4066, vol=4.260000e+06
assign (resid 11 and name HB2) (resid 12 and name HN) 2.910 1.058 2.558 weight 1.000 ! spec=HCH_al, no=2405, id=4068, vol=3.900000e+06
assign (resid 43 and name HN) (resid 43 and name HB2) 2.338 0.683 2.183 weight 1.000 ! spec=HCH_al, no=2407, id=4070, vol=1.450000e+07
assign (resid 36 and name HN) (resid 36 and name HB2) 2.679 0.897 2.397 weight 1.000 ! spec=HCH_al, no=2408, id=4071, vol=6.400000e+06
assign (resid 12 and name HN) (resid 11 and name HB1) 2.984 1.113 2.613 weight 1.000 ! spec=HCH_al, no=2409, id=4072, vol=3.350000e+06
assign (resid 38 and name HN) (resid 37 and name HB1) 2.775 0.963 2.463 weight 1.000 ! spec=HCH_al, no=2410, id=4073, vol=5.180000e+06
assign (resid 38 and name HN) (resid 37 and name HB2) 2.734 0.934 2.434 weight 1.000 ! spec=HCH_al, no=2413, id=4076, vol=5.670000e+06
assign (resid 51 and name HN) (resid 51 and name HB1) 2.772 0.960 2.46 weight 1.000 ! spec=HCH_al, no=2414, id=4077, vol=5.220000e+06
assign (resid 51 and name HB1) (resid 51 and name HA) 2.780 0.966 2.466 weight 1.000 ! spec=HCH_al, no=2415, id=4078, vol=5.130000e+06
assign (resid 51 and name HB2) (resid 51 and name HB1) 2.516 0.792 2.292 weight 1.000 ! spec=HCH_al, no=2421, id=4084, vol=9.320000e+06
assign (resid 37 and name HB1) (resid 37 and name HB2) 2.051 0.526 2.026 weight 1.000 ! spec=HCH_al, no=2424, id=4086, vol=3.180000e+07
assign (resid 37 and name HB1) (resid 37 and name HD22) 2.198 0.604 2.104 weight 1.000 ! spec=HCH_al, no=2425, id=4087, vol=2.100000e+07
or (resid 37 and name HB1) (resid 37 and name HD21)
or (resid 37 and name HB1) (resid 37 and name HD23)
or (resid 37 and name HB1) (resid 37 and name HD12)
or (resid 37 and name HB1) (resid 37 and name HD11)
or (resid 37 and name HB1) (resid 37 and name HD13)
assign (resid 11 and name HB2) (resid 11 and name HB1) 2.381 0.708 2.208 weight 1.000 ! spec=HCH_al, no=2427, id=4089, vol=1.300000e+07
assign (resid 37 and name HN) (resid 36 and name HB2) 2.782 0.968 2.468 weight 1.000 ! spec=HCH_al, no=2433, id=4095, vol=5.100000e+06
assign (resid 43 and name HG) (resid 40 and name HA) 3.499 1.530 3.03 weight 1.000 ! spec=HCH_al, no=2434, id=4096, vol=1.290000e+06
assign (resid 11 and name HD12) (resid 6 and name HB2) 2.698 0.910 2.41 weight 1.000 ! spec=HCH_al, no=2439, id=4100, vol=6.140000e+06
or (resid 11 and name HD11) (resid 6 and name HB2)
or (resid 11 and name HD13) (resid 6 and name HB2)
assign (resid 48 and name HD2) (resid 55 and name HD12) 2.479 0.768 2.268 weight 1.000 ! spec=HCH_al, no=2448, id=4107, vol=1.020000e+07
or (resid 48 and name HD2) (resid 55 and name HD11)
or (resid 48 and name HD2) (resid 55 and name HD13)
or (resid 48 and name HD1) (resid 55 and name HD12)
or (resid 48 and name HD1) (resid 55 and name HD11)
or (resid 48 and name HD1) (resid 55 and name HD13)
assign (resid 101 and name HE2) (resid 101 and name HN) 2.270 0.644 2.144 weight 1.000 ! spec=HCH_al, no=2449, id=4108, vol=1.730000e+07
or (resid 101 and name HE1) (resid 101 and name HN)
assign (resid 38 and name HD21) (resid 48 and name HE2) 2.390 0.714 2.214 weight 1.000 ! spec=HCH_al, no=2452, id=4111, vol=1.270000e+07
or (resid 38 and name HD21) (resid 48 and name HE1)
assign (resid 19 and name HG22) (resid 22 and name HG1) 3.040 1.155 2.655 weight 1.000 ! spec=HCH_al, no=2457, id=4116, vol=3.000000e+06
or (resid 19 and name HG21) (resid 22 and name HG1)
or (resid 19 and name HG23) (resid 22 and name HG1)
assign (resid 50 and name HG2) (resid 51 and name HN) 2.463 0.758 2.258 weight 1.000 ! spec=HCH_al, no=2460, id=4119, vol=1.060000e+07
assign (resid 39 and name HN) (resid 39 and name HG2) 2.547 0.811 2.311 weight 1.000 ! spec=HCH_al, no=2461, id=4120, vol=8.660000e+06
assign (resid 40 and name HN) (resid 39 and name HG2) 3.229 1.303 2.803 weight 1.000 ! spec=HCH_al, no=2462, id=4121, vol=2.090000e+06
assign (resid 44 and name HN) (resid 44 and name HA) 2.393 0.716 2.216 weight 1.000 ! spec=HCH_al, no=2464, id=4123, vol=1.260000e+07
assign (resid 5 and name HA) (resid 5 and name HN) 2.239 0.626 2.126 weight 1.000 ! spec=HCH_al, no=2466, id=4125, vol=1.880000e+07
assign (resid 136 and name HN) (resid 136 and name HA) 2.270 0.644 2.144 weight 1.000 ! spec=HCH_al, no=2473, id=4132, vol=1.730000e+07
assign (resid 15 and name HB2) (resid 18 and name HA) 2.977 1.108 2.608 weight 1.000 ! spec=HCH_al, no=2477, id=4136, vol=3.400000e+06
or (resid 15 and name HB1) (resid 18 and name HA)
or (resid 15 and name HB3) (resid 18 and name HA)
assign (resid 21 and name HB2) (resid 21 and name HD2) 3.556 1.581 3.081 weight 1.000 ! spec=HCH_al, no=2479, id=4138, vol=1.170000e+06
assign (resid 83 and name HB2) (resid 83 and name HD2) 2.604 0.847 2.347 weight 1.000 ! spec=HCH_al, no=2486, id=4144, vol=7.600000e+06
assign (resid 17 and name HB) (resid 20 and name HB2) 2.832 1.002 2.502 weight 1.000 ! spec=HCH_al, no=2488, id=4146, vol=4.590000e+06
or (resid 17 and name HB) (resid 20 and name HB1)
or (resid 17 and name HB) (resid 20 and name HB3)
assign (resid 58 and name HN) (resid 57 and name HB1) 2.836 1.005 2.505 weight 1.000 ! spec=HCH_al, no=2500, id=4152, vol=4.550000e+06
assign (resid 38 and name HN) (resid 39 and name HG2) 3.173 1.258 2.758 weight 1.000 ! spec=HCH_al, no=2502, id=4154, vol=2.320000e+06
assign (resid 3 and name HG11) (resid 19 and name HG22) 2.559 0.819 2.319 weight 1.000 ! spec=HCH_al, no=2509, id=4161, vol=8.430000e+06
or (resid 3 and name HG11) (resid 19 and name HG21)
or (resid 3 and name HG11) (resid 19 and name HG23)
assign (resid 19 and name HN) (resid 19 and name HG12) 2.687 0.902 2.402 weight 1.000 ! spec=HCH_al, no=2514, id=4166, vol=6.290000e+06
assign (resid 49 and name HG1) (resid 47 and name HD2) 2.452 0.751 2.251 weight 1.000 ! spec=HCH_al, no=2519, id=4171, vol=1.090000e+07
or (resid 49 and name HG1) (resid 47 and name HD1)
assign (resid 49 and name HG2) (resid 47 and name HD2) 2.488 0.774 2.274 weight 1.000 ! spec=HCH_al, no=2520, id=4172, vol=9.970000e+06
or (resid 49 and name HG2) (resid 47 and name HD1)
assign (resid 19 and name HD12) (resid 16 and name HN) 2.883 1.039 2.539 weight 1.000 ! spec=HCH_al, no=2522, id=4174, vol=4.120000e+06
or (resid 19 and name HD11) (resid 16 and name HN)
or (resid 19 and name HD13) (resid 16 and name HN)
assign (resid 19 and name HN) (resid 19 and name HD12) 2.305 0.664 2.164 weight 1.000 ! spec=HCH_al, no=2523, id=4175, vol=1.580000e+07
or (resid 19 and name HN) (resid 19 and name HD11)
or (resid 19 and name HN) (resid 19 and name HD13)
assign (resid 64 and name HN) (resid 64 and name HD12) 2.571 0.826 2.326 weight 1.000 ! spec=HCH_al, no=2524, id=4176, vol=8.200000e+06
or (resid 64 and name HN) (resid 64 and name HD11)
or (resid 64 and name HN) (resid 64 and name HD13)
assign (resid 19 and name HD12) (resid 14 and name HN) 3.057 1.168 2.668 weight 1.000 ! spec=HCH_al, no=2525, id=4177, vol=2.900000e+06
or (resid 19 and name HD11) (resid 14 and name HN)
or (resid 19 and name HD13) (resid 14 and name HN)
assign (resid 64 and name HD12) (resid 61 and name HA) 2.183 0.595 2.095 weight 1.000 ! spec=HCH_al, no=2526, id=4178, vol=2.190000e+07
or (resid 64 and name HD11) (resid 61 and name HA)
or (resid 64 and name HD13) (resid 61 and name HA)
assign (resid 16 and name HA) (resid 19 and name HD12) 2.357 0.695 2.195 weight 1.000 ! spec=HCH_al, no=2529, id=4181, vol=1.380000e+07
or (resid 16 and name HA) (resid 19 and name HD11)
or (resid 16 and name HA) (resid 19 and name HD13)
assign (resid 14 and name HB2) (resid 19 and name HD12) 2.249 0.632 2.132 weight 1.000 ! spec=HCH_al, no=2530, id=4182, vol=1.830000e+07
or (resid 14 and name HB2) (resid 19 and name HD11)
or (resid 14 and name HB2) (resid 19 and name HD13)
or (resid 14 and name HB1) (resid 19 and name HD12)
or (resid 14 and name HB1) (resid 19 and name HD11)
or (resid 14 and name HB1) (resid 19 and name HD13)
assign (resid 19 and name HD12) (resid 19 and name HB) 2.149 0.578 2.078 weight 1.000 ! spec=HCH_al, no=2531, id=4183, vol=2.400000e+07
or (resid 19 and name HD11) (resid 19 and name HB)
or (resid 19 and name HD13) (resid 19 and name HB)
assign (resid 64 and name HB) (resid 64 and name HD12) 1.888 0.445 1.945 weight 1.000 ! spec=HCH_al, no=2532, id=4184, vol=5.230000e+07
or (resid 64 and name HB) (resid 64 and name HD11)
or (resid 64 and name HB) (resid 64 and name HD13)
assign (resid 19 and name HG12) (resid 19 and name HD12) 2.002 0.501 2.001 weight 1.000 ! spec=HCH_al, no=2533, id=4185, vol=3.680000e+07
or (resid 19 and name HG12) (resid 19 and name HD11)
or (resid 19 and name HG12) (resid 19 and name HD13)
assign (resid 20 and name HA) (resid 18 and name HN) 3.708 1.719 3.219 weight 1.000 ! spec=HCH_al, no=2537, id=4189, vol=9.100000e+05
assign (resid 19 and name HN) (resid 20 and name HA) 3.447 1.486 2.986 weight 1.000 ! spec=HCH_al, no=2538, id=4190, vol=1.410000e+06
assign (resid 17 and name HN) (resid 20 and name HB2) 3.022 1.141 2.641 weight 1.000 ! spec=HCH_al, no=2539, id=4191, vol=3.110000e+06
or (resid 17 and name HN) (resid 20 and name HB1)
or (resid 17 and name HN) (resid 20 and name HB3)
assign (resid 33 and name HA) (resid 36 and name HD22) 2.707 0.916 2.416 weight 1.000 ! spec=HCH_al, no=2542, id=4194, vol=6.020000e+06
or (resid 33 and name HA) (resid 36 and name HD21)
or (resid 33 and name HA) (resid 36 and name HD23)
or (resid 33 and name HA) (resid 36 and name HD12)
or (resid 33 and name HA) (resid 36 and name HD11)
or (resid 33 and name HA) (resid 36 and name HD13)
assign (resid 21 and name HB1) (resid 21 and name HB2) 2.716 0.922 2.422 weight 1.000 ! spec=HCH_al, no=2545, id=4197, vol=5.900000e+06
assign (resid 23 and name HN) (resid 22 and name HG1) 2.968 1.101 2.601 weight 1.000 ! spec=HCH_al, no=2547, id=4199, vol=3.460000e+06
assign (resid 22 and name HN) (resid 22 and name HG1) 2.650 0.878 2.378 weight 1.000 ! spec=HCH_al, no=2548, id=4200, vol=6.830000e+06
assign (resid 36 and name HB2) (resid 37 and name HA) 3.405 1.449 2.949 weight 1.000 ! spec=HCH_al, no=2555, id=4207, vol=1.520000e+06
assign (resid 36 and name HA) (resid 36 and name HB2) 2.646 0.875 2.375 weight 1.000 ! spec=HCH_al, no=2557, id=4209, vol=6.900000e+06
assign (resid 36 and name HB2) (resid 58 and name HE1) 3.610 1.629 3.129 weight 1.000 ! spec=HCH_al, no=2559, id=4211, vol=1.070000e+06
or (resid 36 and name HB2) (resid 58 and name HE2)
assign (resid 35 and name HN) (resid 36 and name HB2) 3.532 1.559 3.059 weight 1.000 ! spec=HCH_al, no=2560, id=4212, vol=1.220000e+06
assign (resid 24 and name HN) (resid 23 and name HB1) 3.069 1.178 2.678 weight 1.000 ! spec=HCH_al, no=2564, id=4216, vol=2.830000e+06
assign (resid 23 and name HN) (resid 23 and name HB1) 2.808 0.985 2.485 weight 1.000 ! spec=HCH_al, no=2565, id=4217, vol=4.830000e+06
assign (resid 11 and name HG) (resid 6 and name HD1) 3.345 1.399 2.899 weight 1.000 ! spec=HCH_al, no=2568, id=4220, vol=1.690000e+06
or (resid 11 and name HG) (resid 6 and name HD2)
assign (resid 23 and name HN) (resid 23 and name HG) 2.894 1.047 2.547 weight 1.000 ! spec=HCH_al, no=2569, id=4221, vol=4.030000e+06
assign (resid 23 and name HD22) (resid 22 and name HB2) 2.790 0.973 2.473 weight 1.000 ! spec=HCH_al, no=2576, id=4224, vol=5.020000e+06
or (resid 23 and name HD22) (resid 22 and name HB1)
or (resid 23 and name HD21) (resid 22 and name HB2)
or (resid 23 and name HD21) (resid 22 and name HB1)
or (resid 23 and name HD23) (resid 22 and name HB2)
or (resid 23 and name HD23) (resid 22 and name HB1)
assign (resid 23 and name HN) (resid 24 and name HB1) 3.688 1.700 3.2 weight 1.000 ! spec=HCH_al, no=2579, id=4226, vol=9.410000e+05
assign (resid 9 and name HN) (resid 9 and name HG1) 2.396 0.718 2.218 weight 1.000 ! spec=HCH_al, no=2580, id=4227, vol=1.250000e+07
assign (resid 114 and name HB2) (resid 114 and name HN) 2.437 0.742 2.242 weight 1.000 ! spec=HCH_al, no=2586, id=4231, vol=1.130000e+07
or (resid 114 and name HB1) (resid 114 and name HN)
assign (resid 28 and name HN) (resid 27 and name HB2) 3.269 1.336 2.836 weight 1.000 ! spec=HCH_al, no=2589, id=4234, vol=1.940000e+06
assign (resid 37 and name HA) (resid 40 and name HB) 2.718 0.923 2.423 weight 1.000 ! spec=HCH_al, no=2591, id=4236, vol=5.870000e+06
assign (resid 37 and name HA) (resid 40 and name HG12) 3.196 1.277 2.777 weight 1.000 ! spec=HCH_al, no=2592, id=4237, vol=2.220000e+06
assign (resid 28 and name HD2) (resid 28 and name HA) 2.552 0.814 2.314 weight 1.000 ! spec=HCH_al, no=2594, id=4239, vol=8.560000e+06
assign (resid 29 and name HA) (resid 30 and name HD1) 1.924 0.463 1.963 weight 1.000 ! spec=HCH_al, no=2596, id=4241, vol=4.670000e+07
assign (resid 29 and name HG2) (resid 29 and name HB1) 2.216 0.614 2.114 weight 1.000 ! spec=HCH_al, no=2598, id=4243, vol=2.000000e+07
or (resid 29 and name HG1) (resid 29 and name HB1)
assign (resid 29 and name HB2) (resid 29 and name HB1) 1.673 0.350 1.85 weight 1.000 ! spec=HCH_al, no=2600, id=4244, vol=1.080000e+08
assign (resid 101 and name HB2) (resid 101 and name HE2) 2.400 0.720 2.22 weight 1.000 ! spec=HCH_al, no=2604, id=4248, vol=1.240000e+07
or (resid 101 and name HB2) (resid 101 and name HE1)
or (resid 101 and name HB1) (resid 101 and name HE2)
or (resid 101 and name HB1) (resid 101 and name HE1)
assign (resid 96 and name HB2) (resid 95 and name HG12) 2.487 0.773 2.273 weight 1.000 ! spec=HCH_al, no=2608, id=4252, vol=1.000000e+07
or (resid 96 and name HB2) (resid 95 and name HG11)
or (resid 96 and name HB2) (resid 95 and name HG13)
or (resid 96 and name HB1) (resid 95 and name HG12)
or (resid 96 and name HB1) (resid 95 and name HG11)
or (resid 96 and name HB1) (resid 95 and name HG13)
assign (resid 48 and name HA) (resid 48 and name HD2) 2.649 0.877 2.377 weight 1.000 ! spec=HCH_al, no=2609, id=4253, vol=6.850000e+06
or (resid 48 and name HA) (resid 48 and name HD1)
assign (resid 12 and name HB1) (resid 9 and name HN) 3.386 1.433 2.933 weight 1.000 ! spec=HCH_al, no=2613, id=4257, vol=1.570000e+06
assign (resid 30 and name HB2) (resid 76 and name HN) 3.551 1.576 3.076 weight 1.000 ! spec=HCH_al, no=2614, id=4258, vol=1.180000e+06
assign (resid 82 and name HA) (resid 83 and name HD1) 2.162 0.584 2.084 weight 1.000 ! spec=HCH_al, no=2620, id=4264, vol=2.320000e+07
assign (resid 30 and name HA) (resid 30 and name HD1) 3.633 1.650 3.15 weight 1.000 ! spec=HCH_al, no=2622, id=4265, vol=1.030000e+06
assign (resid 31 and name HG12) (resid 35 and name HN) 2.742 0.940 2.44 weight 1.000 ! spec=HCH_al, no=2624, id=4267, vol=5.570000e+06
or (resid 31 and name HG11) (resid 35 and name HN)
or (resid 31 and name HG13) (resid 35 and name HN)
assign (resid 32 and name HD2) (resid 32 and name HA) 3.199 1.279 2.779 weight 1.000 ! spec=HCH_al, no=2628, id=4271, vol=2.210000e+06
assign (resid 96 and name HN) (resid 95 and name HB) 2.684 0.901 2.401 weight 1.000 ! spec=HCH_al, no=2632, id=4275, vol=6.330000e+06
assign (resid 128 and name HB) (resid 129 and name HN) 2.588 0.837 2.337 weight 1.000 ! spec=HCH_al, no=2633, id=4276, vol=7.870000e+06
assign (resid 33 and name HN) (resid 32 and name HB1) 3.513 1.542 3.042 weight 1.000 ! spec=HCH_al, no=2634, id=4277, vol=1.260000e+06
assign (resid 31 and name HN) (resid 32 and name HD1) 3.849 1.852 3.352 weight 1.000 ! spec=HCH_al, no=2636, id=4279, vol=7.280000e+05
assign (resid 33 and name HN) (resid 33 and name HB2) 2.976 1.107 2.607 weight 1.000 ! spec=HCH_al, no=2641, id=4284, vol=3.410000e+06
assign (resid 33 and name HB1) (resid 33 and name HD1) 2.911 1.059 2.559 weight 1.000 ! spec=HCH_al, no=2643, id=4286, vol=3.890000e+06
or (resid 33 and name HB1) (resid 33 and name HD2)
assign (resid 33 and name HB2) (resid 33 and name HD1) 2.904 1.054 2.554 weight 1.000 ! spec=HCH_al, no=2644, id=4287, vol=3.950000e+06
or (resid 33 and name HB2) (resid 33 and name HD2)
assign (resid 32 and name HA) (resid 33 and name HB2) 3.588 1.609 3.109 weight 1.000 ! spec=HCH_al, no=2647, id=4290, vol=1.110000e+06
assign (resid 33 and name HB1) (resid 33 and name HB2) 2.719 0.924 2.424 weight 1.000 ! spec=HCH_al, no=2650, id=4293, vol=5.860000e+06
assign (resid 34 and name HG2) (resid 33 and name HD1) 3.275 1.340 2.84 weight 1.000 ! spec=HCH_al, no=2654, id=4296, vol=1.920000e+06
or (resid 34 and name HG2) (resid 33 and name HD2)
assign (resid 23 and name HN) (resid 23 and name HA) 2.629 0.864 2.364 weight 1.000 ! spec=HCH_al, no=2656, id=4298, vol=7.170000e+06
assign (resid 57 and name HA) (resid 149 and name HN) 3.527 1.555 3.055 weight 1.000 ! spec=HCH_al, no=2657, id=4299, vol=1.230000e+06
assign (resid 36 and name HB1) (resid 36 and name HA) 2.801 0.981 2.481 weight 1.000 ! spec=HCH_al, no=2661, id=4303, vol=4.900000e+06
assign (resid 36 and name HB1) (resid 36 and name HD22) 2.360 0.696 2.196 weight 1.000 ! spec=HCH_al, no=2667, id=4309, vol=1.370000e+07
or (resid 36 and name HB1) (resid 36 and name HD21)
or (resid 36 and name HB1) (resid 36 and name HD23)
or (resid 36 and name HB1) (resid 36 and name HD12)
or (resid 36 and name HB1) (resid 36 and name HD11)
or (resid 36 and name HB1) (resid 36 and name HD13)
assign (resid 36 and name HG) (resid 35 and name HN) 3.517 1.546 3.046 weight 1.000 ! spec=HCH_al, no=2669, id=4310, vol=1.250000e+06
assign (resid 37 and name HB1) (resid 48 and name HD2) 2.650 0.878 2.378 weight 1.000 ! spec=HCH_al, no=2670, id=4311, vol=6.840000e+06
or (resid 37 and name HB1) (resid 48 and name HD1)
assign (resid 37 and name HN) (resid 37 and name HB2) 2.441 0.745 2.245 weight 1.000 ! spec=HCH_al, no=2671, id=4312, vol=1.120000e+07
assign (resid 31 and name HN) (resid 71 and name HD12) 2.879 1.036 2.536 weight 1.000 ! spec=HCH_al, no=2672, id=4313, vol=4.160000e+06
or (resid 31 and name HN) (resid 71 and name HD11)
or (resid 31 and name HN) (resid 71 and name HD13)
assign (resid 41 and name HB2) (resid 38 and name HB1) 3.191 1.273 2.773 weight 1.000 ! spec=HCH_al, no=2675, id=4316, vol=2.240000e+06
or (resid 41 and name HB1) (resid 38 and name HB1)
or (resid 41 and name HB3) (resid 38 and name HB1)
assign (resid 59 and name HB2) (resid 33 and name HZ) 2.833 1.003 2.503 weight 1.000 ! spec=HCH_al, no=2677, id=4317, vol=4.580000e+06
assign (resid 154 and name HG2) (resid 153 and name HG22) 2.349 0.690 2.19 weight 1.000 ! spec=HCH_al, no=2679, id=4319, vol=1.410000e+07
or (resid 154 and name HG2) (resid 153 and name HG21)
or (resid 154 and name HG2) (resid 153 and name HG23)
or (resid 154 and name HG1) (resid 153 and name HG22)
or (resid 154 and name HG1) (resid 153 and name HG21)
or (resid 154 and name HG1) (resid 153 and name HG23)
assign (resid 40 and name HA) (resid 39 and name HA) 3.376 1.424 2.924 weight 1.000 ! spec=HCH_al, no=2684, id=4324, vol=1.600000e+06
assign (resid 40 and name HB) (resid 40 and name HA) 2.736 0.936 2.436 weight 1.000 ! spec=HCH_al, no=2685, id=4325, vol=5.640000e+06
assign (resid 47 and name HN) (resid 46 and name HG22) 2.638 0.870 2.37 weight 1.000 ! spec=HCH_al, no=2686, id=4326, vol=7.020000e+06
or (resid 47 and name HN) (resid 46 and name HG21)
or (resid 47 and name HN) (resid 46 and name HG23)
assign (resid 46 and name HN) (resid 46 and name HG22) 2.026 0.513 2.013 weight 1.000 ! spec=HCH_al, no=2687, id=4327, vol=3.420000e+07
or (resid 46 and name HN) (resid 46 and name HG21)
or (resid 46 and name HN) (resid 46 and name HG23)
assign (resid 40 and name HG22) (resid 58 and name HE1) 3.033 1.150 2.65 weight 1.000 ! spec=HCH_al, no=2690, id=4330, vol=3.040000e+06
or (resid 40 and name HG22) (resid 58 and name HE2)
or (resid 40 and name HG21) (resid 58 and name HE1)
or (resid 40 and name HG21) (resid 58 and name HE2)
or (resid 40 and name HG23) (resid 58 and name HE1)
or (resid 40 and name HG23) (resid 58 and name HE2)
assign (resid 40 and name HG12) (resid 40 and name HN) 2.900 1.051 2.551 weight 1.000 ! spec=HCH_al, no=2693, id=4333, vol=3.980000e+06
assign (resid 20 and name HN) (resid 40 and name HD12) 2.612 0.853 2.353 weight 1.000 ! spec=HCH_al, no=2695, id=4335, vol=7.460000e+06
or (resid 20 and name HN) (resid 40 and name HD11)
or (resid 20 and name HN) (resid 40 and name HD13)
assign (resid 40 and name HN) (resid 40 and name HD12) 2.366 0.700 2.2 weight 1.000 ! spec=HCH_al, no=2697, id=4337, vol=1.350000e+07
or (resid 40 and name HN) (resid 40 and name HD11)
or (resid 40 and name HN) (resid 40 and name HD13)
assign (resid 38 and name HN) (resid 40 and name HD12) 3.236 1.309 2.809 weight 1.000 ! spec=HCH_al, no=2700, id=4340, vol=2.060000e+06
or (resid 38 and name HN) (resid 40 and name HD11)
or (resid 38 and name HN) (resid 40 and name HD13)
assign (resid 37 and name HN) (resid 40 and name HD12) 3.191 1.273 2.773 weight 1.000 ! spec=HCH_al, no=2702, id=4342, vol=2.240000e+06
or (resid 37 and name HN) (resid 40 and name HD11)
or (resid 37 and name HN) (resid 40 and name HD13)
assign (resid 40 and name HD12) (resid 58 and name HD1) 2.856 1.020 2.52 weight 1.000 ! spec=HCH_al, no=2703, id=4343, vol=4.360000e+06
or (resid 40 and name HD12) (resid 58 and name HD2)
or (resid 40 and name HD11) (resid 58 and name HD1)
or (resid 40 and name HD11) (resid 58 and name HD2)
or (resid 40 and name HD13) (resid 58 and name HD1)
or (resid 40 and name HD13) (resid 58 and name HD2)
assign (resid 40 and name HD12) (resid 58 and name HE1) 2.255 0.636 2.136 weight 1.000 ! spec=HCH_al, no=2704, id=4344, vol=1.800000e+07
or (resid 40 and name HD12) (resid 58 and name HE2)
or (resid 40 and name HD11) (resid 58 and name HE1)
or (resid 40 and name HD11) (resid 58 and name HE2)
or (resid 40 and name HD13) (resid 58 and name HE1)
or (resid 40 and name HD13) (resid 58 and name HE2)
assign (resid 36 and name HA) (resid 40 and name HD12) 2.973 1.105 2.605 weight 1.000 ! spec=HCH_al, no=2705, id=4345, vol=3.430000e+06
or (resid 36 and name HA) (resid 40 and name HD11)
or (resid 36 and name HA) (resid 40 and name HD13)
assign (resid 17 and name HA) (resid 40 and name HD12) 2.996 1.122 2.622 weight 1.000 ! spec=HCH_al, no=2706, id=4346, vol=3.270000e+06
or (resid 17 and name HA) (resid 40 and name HD11)
or (resid 17 and name HA) (resid 40 and name HD13)
assign (resid 20 and name HA) (resid 40 and name HD12) 2.566 0.823 2.323 weight 1.000 ! spec=HCH_al, no=2707, id=4347, vol=8.300000e+06
or (resid 20 and name HA) (resid 40 and name HD11)
or (resid 20 and name HA) (resid 40 and name HD13)
assign (resid 37 and name HA) (resid 40 and name HD12) 2.360 0.696 2.196 weight 1.000 ! spec=HCH_al, no=2708, id=4348, vol=1.370000e+07
or (resid 37 and name HA) (resid 40 and name HD11)
or (resid 37 and name HA) (resid 40 and name HD13)
assign (resid 40 and name HD12) (resid 39 and name HB2) 3.061 1.171 2.671 weight 1.000 ! spec=HCH_al, no=2711, id=4351, vol=2.880000e+06
or (resid 40 and name HD12) (resid 39 and name HB1)
or (resid 40 and name HD11) (resid 39 and name HB2)
or (resid 40 and name HD11) (resid 39 and name HB1)
or (resid 40 and name HD13) (resid 39 and name HB2)
or (resid 40 and name HD13) (resid 39 and name HB1)
assign (resid 40 and name HG12) (resid 40 and name HD12) 2.073 0.537 2.037 weight 1.000 ! spec=HCH_al, no=2712, id=4352, vol=2.980000e+07
or (resid 40 and name HG12) (resid 40 and name HD11)
or (resid 40 and name HG12) (resid 40 and name HD13)
assign (resid 40 and name HB) (resid 40 and name HD12) 2.095 0.549 2.049 weight 1.000 ! spec=HCH_al, no=2713, id=4353, vol=2.800000e+07
or (resid 40 and name HB) (resid 40 and name HD11)
or (resid 40 and name HB) (resid 40 and name HD13)
assign (resid 20 and name HB2) (resid 40 and name HD12) 2.031 0.516 2.016 weight 1.000 ! spec=HCH_al, no=2714, id=4354, vol=3.370000e+07
or (resid 20 and name HB2) (resid 40 and name HD11)
or (resid 20 and name HB2) (resid 40 and name HD13)
or (resid 20 and name HB1) (resid 40 and name HD12)
or (resid 20 and name HB1) (resid 40 and name HD11)
or (resid 20 and name HB1) (resid 40 and name HD13)
or (resid 20 and name HB3) (resid 40 and name HD12)
or (resid 20 and name HB3) (resid 40 and name HD11)
or (resid 20 and name HB3) (resid 40 and name HD13)
assign (resid 40 and name HD12) (resid 37 and name HB2) 2.603 0.847 2.347 weight 1.000 ! spec=HCH_al, no=2715, id=4355, vol=7.610000e+06
or (resid 40 and name HD11) (resid 37 and name HB2)
or (resid 40 and name HD13) (resid 37 and name HB2)
assign (resid 40 and name HD12) (resid 36 and name HD22) 1.838 0.422 1.922 weight 1.000 ! spec=HCH_al, no=2719, id=4359, vol=6.140000e+07
or (resid 40 and name HD12) (resid 36 and name HD21)
or (resid 40 and name HD12) (resid 36 and name HD23)
or (resid 40 and name HD12) (resid 36 and name HD12)
or (resid 40 and name HD12) (resid 36 and name HD11)
or (resid 40 and name HD12) (resid 36 and name HD13)
or (resid 40 and name HD11) (resid 36 and name HD22)
or (resid 40 and name HD11) (resid 36 and name HD21)
or (resid 40 and name HD11) (resid 36 and name HD23)
or (resid 40 and name HD11) (resid 36 and name HD12)
or (resid 40 and name HD11) (resid 36 and name HD11)
or (resid 40 and name HD11) (resid 36 and name HD13)
or (resid 40 and name HD13) (resid 36 and name HD22)
or (resid 40 and name HD13) (resid 36 and name HD21)
or (resid 40 and name HD13) (resid 36 and name HD23)
or (resid 40 and name HD13) (resid 36 and name HD12)
or (resid 40 and name HD13) (resid 36 and name HD11)
or (resid 40 and name HD13) (resid 36 and name HD13)
assign (resid 79 and name HN) (resid 69 and name HB2) 3.092 1.195 2.695 weight 1.000 ! spec=HCH_al, no=2721, id=4361, vol=2.710000e+06
assign (resid 69 and name HB2) (resid 79 and name HB1) 2.895 1.048 2.548 weight 1.000 ! spec=HCH_al, no=2722, id=4362, vol=4.020000e+06
assign (resid 87 and name HN) (resid 87 and name HB2) 2.523 0.796 2.296 weight 1.000 ! spec=HCH_al, no=2725, id=4365, vol=9.170000e+06
assign (resid 87 and name HB1) (resid 87 and name HN) 2.559 0.819 2.319 weight 1.000 ! spec=HCH_al, no=2726, id=4366, vol=8.430000e+06
assign (resid 44 and name HB1) (resid 44 and name HN) 2.839 1.008 2.508 weight 1.000 ! spec=HCH_al, no=2727, id=4367, vol=4.520000e+06
assign (resid 44 and name HB2) (resid 46 and name HN) 3.522 1.551 3.051 weight 1.000 ! spec=HCH_al, no=2729, id=4369, vol=1.240000e+06
assign (resid 44 and name HB2) (resid 44 and name HN) 2.713 0.920 2.42 weight 1.000 ! spec=HCH_al, no=2730, id=4370, vol=5.940000e+06
assign (resid 44 and name HB1) (resid 41 and name HA) 3.551 1.576 3.076 weight 1.000 ! spec=HCH_al, no=2732, id=4372, vol=1.180000e+06
assign (resid 44 and name HB2) (resid 44 and name HA) 3.052 1.164 2.664 weight 1.000 ! spec=HCH_al, no=2734, id=4374, vol=2.930000e+06
assign (resid 40 and name HG22) (resid 19 and name HG22) 1.686 0.355 1.855 weight 1.000 ! spec=HCH_al, no=2740, id=4376, vol=1.030000e+08
or (resid 40 and name HG22) (resid 19 and name HG21)
or (resid 40 and name HG22) (resid 19 and name HG23)
or (resid 40 and name HG21) (resid 19 and name HG22)
or (resid 40 and name HG21) (resid 19 and name HG21)
or (resid 40 and name HG21) (resid 19 and name HG23)
or (resid 40 and name HG23) (resid 19 and name HG22)
or (resid 40 and name HG23) (resid 19 and name HG21)
or (resid 40 and name HG23) (resid 19 and name HG23)
assign (resid 47 and name HD2) (resid 50 and name HG2) 2.441 0.745 2.245 weight 1.000 ! spec=HCH_al, no=2745, id=4381, vol=1.120000e+07
or (resid 47 and name HD1) (resid 50 and name HG2)
assign (resid 48 and name HE2) (resid 51 and name HD22) 2.406 0.724 2.224 weight 1.000 ! spec=HCH_al, no=2750, id=4386, vol=1.220000e+07
or (resid 48 and name HE2) (resid 51 and name HD21)
or (resid 48 and name HE2) (resid 51 and name HD23)
or (resid 48 and name HE2) (resid 51 and name HD12)
or (resid 48 and name HE2) (resid 51 and name HD11)
or (resid 48 and name HE2) (resid 51 and name HD13)
or (resid 48 and name HE1) (resid 51 and name HD22)
or (resid 48 and name HE1) (resid 51 and name HD21)
or (resid 48 and name HE1) (resid 51 and name HD23)
or (resid 48 and name HE1) (resid 51 and name HD12)
or (resid 48 and name HE1) (resid 51 and name HD11)
or (resid 48 and name HE1) (resid 51 and name HD13)
assign (resid 48 and name HG2) (resid 49 and name HA) 2.963 1.097 2.597 weight 1.000 ! spec=HCH_al, no=2752, id=4387, vol=3.500000e+06
or (resid 48 and name HG1) (resid 49 and name HA)
assign (resid 51 and name HB2) (resid 51 and name HN) 2.678 0.896 2.396 weight 1.000 ! spec=HCH_al, no=2757, id=4392, vol=6.420000e+06
assign (resid 51 and name HB2) (resid 48 and name HA) 3.567 1.590 3.09 weight 1.000 ! spec=HCH_al, no=2758, id=4393, vol=1.150000e+06
assign (resid 51 and name HB2) (resid 51 and name HD22) 2.387 0.712 2.212 weight 1.000 ! spec=HCH_al, no=2759, id=4394, vol=1.280000e+07
or (resid 51 and name HB2) (resid 51 and name HD21)
or (resid 51 and name HB2) (resid 51 and name HD23)
or (resid 51 and name HB2) (resid 51 and name HD12)
or (resid 51 and name HB2) (resid 51 and name HD11)
or (resid 51 and name HB2) (resid 51 and name HD13)
assign (resid 52 and name HA2) (resid 53 and name HB1) 3.715 1.725 3.225 weight 1.000 ! spec=HCH_al, no=2763, id=4397, vol=9.010000e+05
assign (resid 55 and name HN) (resid 53 and name HA) 2.831 1.002 2.502 weight 1.000 ! spec=HCH_al, no=2764, id=4398, vol=4.600000e+06
assign (resid 53 and name HB1) (resid 53 and name HA) 2.338 0.683 2.183 weight 1.000 ! spec=HCH_al, no=2766, id=4400, vol=1.450000e+07
assign (resid 61 and name HB2) (resid 58 and name HA) 3.280 1.345 2.845 weight 1.000 ! spec=HCH_al, no=2767, id=4401, vol=1.900000e+06
assign (resid 54 and name HN) (resid 53 and name HB1) 2.990 1.118 2.618 weight 1.000 ! spec=HCH_al, no=2769, id=4403, vol=3.310000e+06
assign (resid 53 and name HN) (resid 53 and name HB1) 2.893 1.046 2.546 weight 1.000 ! spec=HCH_al, no=2770, id=4404, vol=4.040000e+06
assign (resid 54 and name HA) (resid 16 and name HD12) 3.159 1.248 2.748 weight 1.000 ! spec=HCH_al, no=2772, id=4406, vol=2.380000e+06
or (resid 54 and name HA) (resid 16 and name HD11)
or (resid 54 and name HA) (resid 16 and name HD13)
assign (resid 54 and name HB2) (resid 54 and name HN) 2.984 1.113 2.613 weight 1.000 ! spec=HCH_al, no=2773, id=4407, vol=3.350000e+06
assign (resid 77 and name HA2) (resid 77 and name HN) 3.080 1.186 2.686 weight 1.000 ! spec=HCH_al, no=2774, id=4408, vol=2.770000e+06
assign (resid 54 and name HD2) (resid 54 and name HN) 2.973 1.105 2.605 weight 1.000 ! spec=HCH_al, no=2775, id=4409, vol=3.430000e+06
assign (resid 54 and name HD2) (resid 55 and name HN) 3.832 1.836 3.336 weight 1.000 ! spec=HCH_al, no=2778, id=4412, vol=7.470000e+05
assign (resid 54 and name HD2) (resid 54 and name HE) 2.872 1.031 2.531 weight 1.000 ! spec=HCH_al, no=2779, id=4413, vol=4.220000e+06
assign (resid 54 and name HD1) (resid 54 and name HE) 2.937 1.078 2.578 weight 1.000 ! spec=HCH_al, no=2780, id=4414, vol=3.690000e+06
assign (resid 77 and name HA2) (resid 68 and name HD1) 3.577 1.599 3.099 weight 1.000 ! spec=HCH_al, no=2781, id=4415, vol=1.130000e+06
or (resid 77 and name HA2) (resid 68 and name HD2)
assign (resid 77 and name HA2) (resid 81 and name HZ3) 3.048 1.162 2.662 weight 1.000 ! spec=HCH_al, no=2782, id=4416, vol=2.950000e+06
assign (resid 77 and name HA2) (resid 76 and name HA) 3.654 1.669 3.169 weight 1.000 ! spec=HCH_al, no=2784, id=4418, vol=9.950000e+05
assign (resid 54 and name HD2) (resid 54 and name HA) 3.041 1.156 2.656 weight 1.000 ! spec=HCH_al, no=2788, id=4422, vol=2.990000e+06
assign (resid 54 and name HD2) (resid 51 and name HA) 3.031 1.149 2.649 weight 1.000 ! spec=HCH_al, no=2789, id=4423, vol=3.050000e+06
assign (resid 54 and name HD1) (resid 51 and name HA) 3.082 1.188 2.688 weight 1.000 ! spec=HCH_al, no=2790, id=4424, vol=2.760000e+06
assign (resid 78 and name HN) (resid 77 and name HA2) 2.876 1.034 2.534 weight 1.000 ! spec=HCH_al, no=2791, id=4425, vol=4.180000e+06
assign (resid 77 and name HA2) (resid 77 and name HA1) 2.657 0.882 2.382 weight 1.000 ! spec=HCH_al, no=2792, id=4426, vol=6.730000e+06
assign (resid 54 and name HD1) (resid 54 and name HD2) 1.717 0.369 1.869 weight 1.000 ! spec=HCH_al, no=2793, id=4427, vol=9.230000e+07
assign (resid 54 and name HD2) (resid 54 and name HB2) 2.540 0.806 2.306 weight 1.000 ! spec=HCH_al, no=2797, id=4430, vol=8.820000e+06
assign (resid 54 and name HD2) (resid 54 and name HG2) 2.393 0.716 2.216 weight 1.000 ! spec=HCH_al, no=2798, id=4431, vol=1.260000e+07
assign (resid 54 and name HD1) (resid 54 and name HG2) 2.387 0.712 2.212 weight 1.000 ! spec=HCH_al, no=2799, id=4432, vol=1.280000e+07
assign (resid 54 and name HD1) (resid 54 and name HB2) 2.538 0.805 2.305 weight 1.000 ! spec=HCH_al, no=2800, id=4433, vol=8.860000e+06
assign (resid 54 and name HD1) (resid 54 and name HG1) 2.349 0.690 2.19 weight 1.000 ! spec=HCH_al, no=2802, id=4434, vol=1.410000e+07
assign (resid 54 and name HD2) (resid 51 and name HB1) 3.784 1.790 3.29 weight 1.000 ! spec=HCH_al, no=2803, id=4435, vol=8.060000e+05
assign (resid 54 and name HD1) (resid 51 and name HB1) 3.447 1.486 2.986 weight 1.000 ! spec=HCH_al, no=2804, id=4436, vol=1.410000e+06
assign (resid 77 and name HA2) (resid 71 and name HD12) 2.995 1.121 2.621 weight 1.000 ! spec=HCH_al, no=2805, id=4437, vol=3.280000e+06
or (resid 77 and name HA2) (resid 71 and name HD11)
or (resid 77 and name HA2) (resid 71 and name HD13)
assign (resid 54 and name HD1) (resid 51 and name HD22) 2.623 0.860 2.36 weight 1.000 ! spec=HCH_al, no=2808, id=4439, vol=7.260000e+06
or (resid 54 and name HD1) (resid 51 and name HD21)
or (resid 54 and name HD1) (resid 51 and name HD23)
or (resid 54 and name HD1) (resid 51 and name HD12)
or (resid 54 and name HD1) (resid 51 and name HD11)
or (resid 54 and name HD1) (resid 51 and name HD13)
assign (resid 55 and name HG22) (resid 34 and name HG2) 3.439 1.479 2.979 weight 1.000 ! spec=HCH_al, no=2811, id=4442, vol=1.430000e+06
or (resid 55 and name HG21) (resid 34 and name HG2)
or (resid 55 and name HG23) (resid 34 and name HG2)
assign (resid 58 and name HB2) (resid 55 and name HG22) 2.930 1.073 2.573 weight 1.000 ! spec=HCH_al, no=2812, id=4443, vol=3.740000e+06
or (resid 58 and name HB2) (resid 55 and name HG21)
or (resid 58 and name HB2) (resid 55 and name HG23)
assign (resid 56 and name HN) (resid 55 and name HG11) 3.692 1.704 3.204 weight 1.000 ! spec=HCH_al, no=2813, id=4444, vol=9.350000e+05
assign (resid 55 and name HD12) (resid 37 and name HD22) 1.808 0.409 1.909 weight 1.000 ! spec=HCH_al, no=2814, id=4445, vol=6.770000e+07
or (resid 55 and name HD12) (resid 37 and name HD21)
or (resid 55 and name HD12) (resid 37 and name HD23)
or (resid 55 and name HD12) (resid 37 and name HD12)
or (resid 55 and name HD12) (resid 37 and name HD11)
or (resid 55 and name HD12) (resid 37 and name HD13)
or (resid 55 and name HD11) (resid 37 and name HD22)
or (resid 55 and name HD11) (resid 37 and name HD21)
or (resid 55 and name HD11) (resid 37 and name HD23)
or (resid 55 and name HD11) (resid 37 and name HD12)
or (resid 55 and name HD11) (resid 37 and name HD11)
or (resid 55 and name HD11) (resid 37 and name HD13)
or (resid 55 and name HD13) (resid 37 and name HD22)
or (resid 55 and name HD13) (resid 37 and name HD21)
or (resid 55 and name HD13) (resid 37 and name HD23)
or (resid 55 and name HD13) (resid 37 and name HD12)
or (resid 55 and name HD13) (resid 37 and name HD11)
or (resid 55 and name HD13) (resid 37 and name HD13)
assign (resid 55 and name HD12) (resid 48 and name HG2) 2.302 0.662 2.162 weight 1.000 ! spec=HCH_al, no=2816, id=4447, vol=1.590000e+07
or (resid 55 and name HD12) (resid 48 and name HG1)
or (resid 55 and name HD11) (resid 48 and name HG2)
or (resid 55 and name HD11) (resid 48 and name HG1)
or (resid 55 and name HD13) (resid 48 and name HG2)
or (resid 55 and name HD13) (resid 48 and name HG1)
assign (resid 55 and name HG12) (resid 55 and name HD12) 1.910 0.456 1.956 weight 1.000 ! spec=HCH_al, no=2818, id=4449, vol=4.880000e+07
or (resid 55 and name HG12) (resid 55 and name HD11)
or (resid 55 and name HG12) (resid 55 and name HD13)
assign (resid 55 and name HB) (resid 55 and name HD12) 1.989 0.495 1.995 weight 1.000 ! spec=HCH_al, no=2819, id=4450, vol=3.820000e+07
or (resid 55 and name HB) (resid 55 and name HD11)
or (resid 55 and name HB) (resid 55 and name HD13)
assign (resid 55 and name HD12) (resid 48 and name HE2) 2.871 1.030 2.53 weight 1.000 ! spec=HCH_al, no=2820, id=4451, vol=4.230000e+06
or (resid 55 and name HD12) (resid 48 and name HE1)
or (resid 55 and name HD11) (resid 48 and name HE2)
or (resid 55 and name HD11) (resid 48 and name HE1)
or (resid 55 and name HD13) (resid 48 and name HE2)
or (resid 55 and name HD13) (resid 48 and name HE1)
assign (resid 58 and name HB2) (resid 55 and name HD12) 3.338 1.393 2.893 weight 1.000 ! spec=HCH_al, no=2821, id=4452, vol=1.710000e+06
or (resid 58 and name HB2) (resid 55 and name HD11)
or (resid 58 and name HB2) (resid 55 and name HD13)
assign (resid 52 and name HA1) (resid 55 and name HD12) 2.622 0.860 2.36 weight 1.000 ! spec=HCH_al, no=2824, id=4455, vol=7.280000e+06
or (resid 52 and name HA1) (resid 55 and name HD11)
or (resid 52 and name HA1) (resid 55 and name HD13)
assign (resid 55 and name HD12) (resid 33 and name HE1) 3.086 1.190 2.69 weight 1.000 ! spec=HCH_al, no=2826, id=4457, vol=2.740000e+06
or (resid 55 and name HD12) (resid 33 and name HE2)
or (resid 55 and name HD11) (resid 33 and name HE1)
or (resid 55 and name HD11) (resid 33 and name HE2)
or (resid 55 and name HD13) (resid 33 and name HE1)
or (resid 55 and name HD13) (resid 33 and name HE2)
assign (resid 57 and name HB1) (resid 56 and name HB2) 2.810 0.987 2.487 weight 1.000 ! spec=HCH_al, no=2833, id=4464, vol=4.810000e+06
or (resid 57 and name HB1) (resid 56 and name HB1)
or (resid 57 and name HB1) (resid 56 and name HB3)
assign (resid 75 and name HN) (resid 74 and name HA) 2.868 1.028 2.528 weight 1.000 ! spec=HCH_al, no=2835, id=4466, vol=4.250000e+06
assign (resid 57 and name HB1) (resid 54 and name HA) 2.743 0.940 2.44 weight 1.000 ! spec=HCH_al, no=2836, id=4467, vol=5.560000e+06
assign (resid 9 and name HN) (resid 9 and name HB2) 2.325 0.675 2.175 weight 1.000 ! spec=HCH_al, no=2837, id=4468, vol=1.500000e+07
assign (resid 34 and name HG1) (resid 37 and name HD22) 3.261 1.329 2.829 weight 1.000 ! spec=HCH_al, no=2839, id=4470, vol=1.970000e+06
or (resid 34 and name HG1) (resid 37 and name HD21)
or (resid 34 and name HG1) (resid 37 and name HD23)
or (resid 34 and name HG1) (resid 37 and name HD12)
or (resid 34 and name HG1) (resid 37 and name HD11)
or (resid 34 and name HG1) (resid 37 and name HD13)
assign (resid 59 and name HB1) (resid 33 and name HE1) 3.532 1.559 3.059 weight 1.000 ! spec=HCH_al, no=2844, id=4473, vol=1.220000e+06
or (resid 59 and name HB1) (resid 33 and name HE2)
assign (resid 59 and name HB1) (resid 33 and name HZ) 3.250 1.320 2.82 weight 1.000 ! spec=HCH_al, no=2845, id=4474, vol=2.010000e+06
assign (resid 60 and name HB) (resid 61 and name HB1) 3.263 1.331 2.831 weight 1.000 ! spec=HCH_al, no=2849, id=4476, vol=1.960000e+06
assign (resid 60 and name HB) (resid 59 and name HN) 3.236 1.309 2.809 weight 1.000 ! spec=HCH_al, no=2851, id=4478, vol=2.060000e+06
assign (resid 60 and name HG21) (resid 61 and name HB1) 2.871 1.030 2.53 weight 1.000 ! spec=HCH_al, no=2854, id=4481, vol=4.230000e+06
or (resid 60 and name HG22) (resid 61 and name HB1)
or (resid 60 and name HG23) (resid 61 and name HB1)
assign (resid 60 and name HG21) (resid 64 and name HG12) 2.274 0.647 2.147 weight 1.000 ! spec=HCH_al, no=2856, id=4483, vol=1.710000e+07
or (resid 60 and name HG22) (resid 64 and name HG12)
or (resid 60 and name HG23) (resid 64 and name HG12)
assign (resid 61 and name HB1) (resid 17 and name HG22) 2.668 0.890 2.39 weight 1.000 ! spec=HCH_al, no=2857, id=4484, vol=6.560000e+06
or (resid 61 and name HB1) (resid 17 and name HG21)
or (resid 61 and name HB1) (resid 17 and name HG23)
or (resid 61 and name HB1) (resid 17 and name HG12)
or (resid 61 and name HB1) (resid 17 and name HG11)
or (resid 61 and name HB1) (resid 17 and name HG13)
assign (resid 61 and name HB2) (resid 17 and name HG22) 2.788 0.972 2.472 weight 1.000 ! spec=HCH_al, no=2858, id=4485, vol=5.040000e+06
or (resid 61 and name HB2) (resid 17 and name HG21)
or (resid 61 and name HB2) (resid 17 and name HG23)
or (resid 61 and name HB2) (resid 17 and name HG12)
or (resid 61 and name HB2) (resid 17 and name HG11)
or (resid 61 and name HB2) (resid 17 and name HG13)
assign (resid 61 and name HB1) (resid 17 and name HB) 2.881 1.037 2.537 weight 1.000 ! spec=HCH_al, no=2859, id=4486, vol=4.140000e+06
assign (resid 61 and name HB1) (resid 61 and name HB2) 2.419 0.732 2.232 weight 1.000 ! spec=HCH_al, no=2861, id=4488, vol=1.180000e+07
assign (resid 62 and name HN) (resid 61 and name HB2) 2.741 0.939 2.439 weight 1.000 ! spec=HCH_al, no=2865, id=4492, vol=5.580000e+06
assign (resid 61 and name HN) (resid 61 and name HB2) 2.868 1.028 2.528 weight 1.000 ! spec=HCH_al, no=2866, id=4493, vol=4.250000e+06
assign (resid 61 and name HN) (resid 61 and name HB1) 2.819 0.993 2.493 weight 1.000 ! spec=HCH_al, no=2867, id=4494, vol=4.720000e+06
assign (resid 62 and name HG) (resid 62 and name HB1) 2.836 1.005 2.505 weight 1.000 ! spec=HCH_al, no=2871, id=4498, vol=4.550000e+06
assign (resid 63 and name HN) (resid 62 and name HB1) 3.201 1.281 2.781 weight 1.000 ! spec=HCH_al, no=2876, id=4503, vol=2.200000e+06
assign (resid 62 and name HN) (resid 62 and name HB1) 2.845 1.012 2.512 weight 1.000 ! spec=HCH_al, no=2877, id=4504, vol=4.460000e+06
assign (resid 62 and name HN) (resid 62 and name HB2) 2.683 0.900 2.4 weight 1.000 ! spec=HCH_al, no=2878, id=4505, vol=6.340000e+06
assign (resid 63 and name HN) (resid 62 and name HB2) 2.941 1.081 2.581 weight 1.000 ! spec=HCH_al, no=2879, id=4506, vol=3.660000e+06
assign (resid 59 and name HA) (resid 62 and name HB2) 3.035 1.151 2.651 weight 1.000 ! spec=HCH_al, no=2882, id=4509, vol=3.030000e+06
assign (resid 62 and name HG) (resid 62 and name HB2) 2.704 0.914 2.414 weight 1.000 ! spec=HCH_al, no=2883, id=4510, vol=6.060000e+06
assign (resid 62 and name HB1) (resid 62 and name HB2) 2.416 0.730 2.23 weight 1.000 ! spec=HCH_al, no=2884, id=4511, vol=1.190000e+07
assign (resid 62 and name HB2) (resid 17 and name HG22) 3.468 1.504 3.004 weight 1.000 ! spec=HCH_al, no=2885, id=4512, vol=1.360000e+06
or (resid 62 and name HB2) (resid 17 and name HG21)
or (resid 62 and name HB2) (resid 17 and name HG23)
or (resid 62 and name HB2) (resid 17 and name HG12)
or (resid 62 and name HB2) (resid 17 and name HG11)
or (resid 62 and name HB2) (resid 17 and name HG13)
assign (resid 62 and name HG) (resid 76 and name HH2) 3.604 1.624 3.124 weight 1.000 ! spec=HCH_al, no=2887, id=4514, vol=1.080000e+06
assign (resid 63 and name HA) (resid 62 and name HB1) 3.405 1.449 2.949 weight 1.000 ! spec=HCH_al, no=2889, id=4516, vol=1.520000e+06
assign (resid 70 and name HB2) (resid 63 and name HA) 3.383 1.430 2.93 weight 1.000 ! spec=HCH_al, no=2890, id=4517, vol=1.580000e+06
or (resid 70 and name HB1) (resid 63 and name HA)
or (resid 70 and name HB3) (resid 63 and name HA)
assign (resid 66 and name HN) (resid 65 and name HA) 2.754 0.948 2.448 weight 1.000 ! spec=HCH_al, no=2892, id=4519, vol=5.420000e+06
assign (resid 118 and name HN) (resid 118 and name HG12) 2.430 0.738 2.238 weight 1.000 ! spec=HCH_al, no=2899, id=4524, vol=1.150000e+07
assign (resid 159 and name HN) (resid 158 and name HG12) 2.784 0.969 2.469 weight 1.000 ! spec=HCH_al, no=2901, id=4526, vol=5.080000e+06
assign (resid 64 and name HD12) (resid 65 and name HN) 2.582 0.833 2.333 weight 1.000 ! spec=HCH_al, no=2903, id=4528, vol=7.990000e+06
or (resid 64 and name HD11) (resid 65 and name HN)
or (resid 64 and name HD13) (resid 65 and name HN)
assign (resid 79 and name HD1) (resid 79 and name HN) 3.062 1.172 2.672 weight 1.000 ! spec=HCH_al, no=2904, id=4529, vol=2.870000e+06
assign (resid 79 and name HD1) (resid 79 and name HE) 2.628 0.863 2.363 weight 1.000 ! spec=HCH_al, no=2906, id=4531, vol=7.180000e+06
assign (resid 65 and name HB2) (resid 68 and name HD1) 3.275 1.340 2.84 weight 1.000 ! spec=HCH_al, no=2907, id=4532, vol=1.920000e+06
or (resid 65 and name HB2) (resid 68 and name HD2)
assign (resid 79 and name HD2) (resid 79 and name HE) 2.653 0.880 2.38 weight 1.000 ! spec=HCH_al, no=2908, id=4533, vol=6.790000e+06
assign (resid 79 and name HN) (resid 79 and name HD2) 3.069 1.178 2.678 weight 1.000 ! spec=HCH_al, no=2909, id=4534, vol=2.830000e+06
assign (resid 66 and name HN) (resid 65 and name HB2) 3.582 1.604 3.104 weight 1.000 ! spec=HCH_al, no=2910, id=4535, vol=1.120000e+06
assign (resid 65 and name HN) (resid 65 and name HB1) 3.048 1.162 2.662 weight 1.000 ! spec=HCH_al, no=2912, id=4537, vol=2.950000e+06
assign (resid 79 and name HD2) (resid 86 and name HE22) 2.971 1.104 2.604 weight 1.000 ! spec=HCH_al, no=2913, id=4538, vol=3.440000e+06
assign (resid 79 and name HD1) (resid 86 and name HE22) 3.151 1.241 2.741 weight 1.000 ! spec=HCH_al, no=2914, id=4539, vol=2.420000e+06
assign (resid 79 and name HD2) (resid 69 and name HA) 3.269 1.336 2.836 weight 1.000 ! spec=HCH_al, no=2916, id=4541, vol=1.940000e+06
assign (resid 79 and name HD1) (resid 69 and name HA) 3.231 1.305 2.805 weight 1.000 ! spec=HCH_al, no=2917, id=4542, vol=2.080000e+06
assign (resid 65 and name HB1) (resid 65 and name HA) 3.752 1.759 3.259 weight 1.000 ! spec=HCH_al, no=2919, id=4544, vol=8.490000e+05
assign (resid 79 and name HA) (resid 79 and name HD1) 2.713 0.920 2.42 weight 1.000 ! spec=HCH_al, no=2920, id=4545, vol=5.940000e+06
assign (resid 79 and name HA) (resid 79 and name HD2) 2.798 0.979 2.479 weight 1.000 ! spec=HCH_al, no=2921, id=4546, vol=4.930000e+06
assign (resid 65 and name HB2) (resid 65 and name HA) 3.073 1.180 2.68 weight 1.000 ! spec=HCH_al, no=2922, id=4547, vol=2.810000e+06
assign (resid 79 and name HD1) (resid 79 and name HD2) 1.833 0.420 1.92 weight 1.000 ! spec=HCH_al, no=2924, id=4549, vol=6.250000e+07
assign (resid 79 and name HG2) (resid 79 and name HD1) 2.288 0.654 2.154 weight 1.000 ! spec=HCH_al, no=2926, id=4550, vol=1.650000e+07
assign (resid 79 and name HG2) (resid 79 and name HD2) 2.309 0.667 2.167 weight 1.000 ! spec=HCH_al, no=2927, id=4551, vol=1.560000e+07
assign (resid 79 and name HD1) (resid 69 and name HB2) 3.319 1.377 2.877 weight 1.000 ! spec=HCH_al, no=2930, id=4554, vol=1.770000e+06
assign (resid 69 and name HB2) (resid 79 and name HD2) 3.250 1.320 2.82 weight 1.000 ! spec=HCH_al, no=2931, id=4555, vol=2.010000e+06
assign (resid 69 and name HB1) (resid 79 and name HD2) 3.206 1.285 2.785 weight 1.000 ! spec=HCH_al, no=2932, id=4556, vol=2.180000e+06
assign (resid 69 and name HB1) (resid 79 and name HD1) 3.252 1.322 2.822 weight 1.000 ! spec=HCH_al, no=2933, id=4557, vol=2.000000e+06
assign (resid 79 and name HD1) (resid 69 and name HD22) 3.077 1.183 2.683 weight 1.000 ! spec=HCH_al, no=2935, id=4559, vol=2.790000e+06
or (resid 79 and name HD1) (resid 69 and name HD21)
or (resid 79 and name HD1) (resid 69 and name HD23)
assign (resid 67 and name HN) (resid 66 and name HA1) 3.383 1.430 2.93 weight 1.000 ! spec=HCH_al, no=2938, id=4562, vol=1.580000e+06
assign (resid 12 and name HG2) (resid 12 and name HB1) 2.181 0.595 2.095 weight 1.000 ! spec=HCH_al, no=2942, id=4566, vol=2.200000e+07
assign (resid 76 and name HA) (resid 77 and name HA1) 3.355 1.407 2.907 weight 1.000 ! spec=HCH_al, no=2947, id=4571, vol=1.660000e+06
assign (resid 69 and name HN) (resid 68 and name HB2) 3.155 1.244 2.744 weight 1.000 ! spec=HCH_al, no=2951, id=4575, vol=2.400000e+06
assign (resid 68 and name HN) (resid 68 and name HB2) 3.080 1.186 2.686 weight 1.000 ! spec=HCH_al, no=2952, id=4576, vol=2.770000e+06
assign (resid 68 and name HB1) (resid 76 and name HE3) 3.148 1.239 2.739 weight 1.000 ! spec=HCH_al, no=2954, id=4578, vol=2.430000e+06
assign (resid 68 and name HB1) (resid 68 and name HD1) 2.912 1.060 2.56 weight 1.000 ! spec=HCH_al, no=2955, id=4579, vol=3.880000e+06
or (resid 68 and name HB1) (resid 68 and name HD2)
assign (resid 68 and name HB2) (resid 68 and name HA) 3.134 1.227 2.727 weight 1.000 ! spec=HCH_al, no=2961, id=4585, vol=2.500000e+06
assign (resid 68 and name HB1) (resid 79 and name HN) 3.451 1.489 2.989 weight 1.000 ! spec=HCH_al, no=2962, id=4586, vol=1.400000e+06
assign (resid 68 and name HB1) (resid 78 and name HA) 3.561 1.585 3.085 weight 1.000 ! spec=HCH_al, no=2963, id=4587, vol=1.160000e+06
assign (resid 68 and name HB1) (resid 68 and name HB2) 2.641 0.872 2.372 weight 1.000 ! spec=HCH_al, no=2965, id=4589, vol=6.980000e+06
assign (resid 78 and name HD22) (resid 68 and name HB2) 3.703 1.714 3.214 weight 1.000 ! spec=HCH_al, no=2967, id=4590, vol=9.180000e+05
or (resid 78 and name HD21) (resid 68 and name HB2)
or (resid 78 and name HD23) (resid 68 and name HB2)
assign (resid 68 and name HB1) (resid 62 and name HD12) 3.255 1.324 2.824 weight 1.000 ! spec=HCH_al, no=2969, id=4592, vol=1.990000e+06
or (resid 68 and name HB1) (resid 62 and name HD11)
or (resid 68 and name HB1) (resid 62 and name HD13)
assign (resid 112 and name HG) (resid 111 and name HA) 2.133 0.569 2.069 weight 1.000 ! spec=HCH_al, no=2971, id=4594, vol=2.510000e+07
assign (resid 157 and name HN) (resid 156 and name HA) 1.644 0.338 1.838 weight 1.000 ! spec=HCH_al, no=2975, id=4598, vol=1.200000e+08
assign (resid 69 and name HB1) (resid 82 and name HE1) 3.830 1.833 3.333 weight 1.000 ! spec=HCH_al, no=2977, id=4600, vol=7.500000e+05
or (resid 69 and name HB1) (resid 82 and name HE2)
assign (resid 70 and name HB2) (resid 69 and name HB2) 3.588 1.609 3.109 weight 1.000 ! spec=HCH_al, no=2978, id=4601, vol=1.110000e+06
or (resid 70 and name HB1) (resid 69 and name HB2)
or (resid 70 and name HB3) (resid 69 and name HB2)
assign (resid 70 and name HB2) (resid 69 and name HB1) 3.833 1.837 3.337 weight 1.000 ! spec=HCH_al, no=2979, id=4602, vol=7.460000e+05
or (resid 70 and name HB1) (resid 69 and name HB1)
or (resid 70 and name HB3) (resid 69 and name HB1)
assign (resid 157 and name HN) (resid 157 and name HG11) 2.357 0.695 2.195 weight 1.000 ! spec=HCH_al, no=2981, id=4604, vol=1.380000e+07
assign (resid 69 and name HG) (resid 70 and name HN) 3.298 1.359 2.859 weight 1.000 ! spec=HCH_al, no=2985, id=4608, vol=1.840000e+06
assign (resid 69 and name HD22) (resid 77 and name HN) 2.976 1.107 2.607 weight 1.000 ! spec=HCH_al, no=2989, id=4612, vol=3.410000e+06
or (resid 69 and name HD21) (resid 77 and name HN)
or (resid 69 and name HD23) (resid 77 and name HN)
assign (resid 70 and name HA) (resid 70 and name HN) 2.835 1.005 2.505 weight 1.000 ! spec=HCH_al, no=2990, id=4613, vol=4.560000e+06
assign (resid 70 and name HA) (resid 71 and name HA) 3.551 1.576 3.076 weight 1.000 ! spec=HCH_al, no=2991, id=4614, vol=1.180000e+06
assign (resid 70 and name HB2) (resid 62 and name HD12) 3.213 1.291 2.791 weight 1.000 ! spec=HCH_al, no=2993, id=4616, vol=2.150000e+06
or (resid 70 and name HB2) (resid 62 and name HD11)
or (resid 70 and name HB2) (resid 62 and name HD13)
or (resid 70 and name HB1) (resid 62 and name HD12)
or (resid 70 and name HB1) (resid 62 and name HD11)
or (resid 70 and name HB1) (resid 62 and name HD13)
or (resid 70 and name HB3) (resid 62 and name HD12)
or (resid 70 and name HB3) (resid 62 and name HD11)
or (resid 70 and name HB3) (resid 62 and name HD13)
assign (resid 71 and name HA) (resid 69 and name HD22) 3.101 1.202 2.702 weight 1.000 ! spec=HCH_al, no=2995, id=4618, vol=2.660000e+06
or (resid 71 and name HA) (resid 69 and name HD21)
or (resid 71 and name HA) (resid 69 and name HD23)
assign (resid 30 and name HB1) (resid 71 and name HD22) 2.803 0.982 2.482 weight 1.000 ! spec=HCH_al, no=3001, id=4623, vol=4.880000e+06
or (resid 30 and name HB1) (resid 71 and name HD21)
or (resid 30 and name HB1) (resid 71 and name HD23)
assign (resid 153 and name HA) (resid 148 and name HB2) 2.823 0.996 2.496 weight 1.000 ! spec=HCH_al, no=3008, id=4630, vol=4.680000e+06
assign (resid 73 and name HA) (resid 74 and name HB2) 3.206 1.285 2.785 weight 1.000 ! spec=HCH_al, no=3011, id=4633, vol=2.180000e+06
or (resid 73 and name HA) (resid 74 and name HB1)
assign (resid 74 and name HB2) (resid 74 and name HG2) 2.124 0.564 2.064 weight 1.000 ! spec=HCH_al, no=3012, id=4634, vol=2.580000e+07
or (resid 74 and name HB2) (resid 74 and name HG1)
or (resid 74 and name HB1) (resid 74 and name HG2)
or (resid 74 and name HB1) (resid 74 and name HG1)
assign (resid 64 and name HA) (resid 63 and name HB2) 3.352 1.404 2.904 weight 1.000 ! spec=HCH_al, no=3015, id=4636, vol=1.670000e+06
assign (resid 31 and name HN) (resid 75 and name HB) 3.043 1.158 2.658 weight 1.000 ! spec=HCH_al, no=3016, id=4637, vol=2.980000e+06
assign (resid 76 and name HN) (resid 75 and name HB) 2.649 0.877 2.377 weight 1.000 ! spec=HCH_al, no=3017, id=4638, vol=6.850000e+06
assign (resid 75 and name HB) (resid 74 and name HN) 3.541 1.568 3.068 weight 1.000 ! spec=HCH_al, no=3018, id=4639, vol=1.200000e+06
assign (resid 75 and name HN) (resid 75 and name HB) 3.164 1.251 2.751 weight 1.000 ! spec=HCH_al, no=3019, id=4640, vol=2.360000e+06
assign (resid 32 and name HA) (resid 75 and name HB) 3.010 1.133 2.633 weight 1.000 ! spec=HCH_al, no=3020, id=4641, vol=3.180000e+06
assign (resid 75 and name HB) (resid 30 and name HB1) 2.973 1.105 2.605 weight 1.000 ! spec=HCH_al, no=3025, id=4646, vol=3.430000e+06
assign (resid 75 and name HB) (resid 71 and name HB2) 3.715 1.725 3.225 weight 1.000 ! spec=HCH_al, no=3029, id=4649, vol=9.010000e+05
assign (resid 75 and name HB) (resid 30 and name HA) 3.352 1.404 2.904 weight 1.000 ! spec=HCH_al, no=3030, id=4650, vol=1.670000e+06
assign (resid 76 and name HB2) (resid 62 and name HD12) 3.298 1.359 2.859 weight 1.000 ! spec=HCH_al, no=3040, id=4656, vol=1.840000e+06
or (resid 76 and name HB2) (resid 62 and name HD11)
or (resid 76 and name HB2) (resid 62 and name HD13)
or (resid 76 and name HB1) (resid 62 and name HD12)
or (resid 76 and name HB1) (resid 62 and name HD11)
or (resid 76 and name HB1) (resid 62 and name HD13)
assign (resid 77 and name HA1) (resid 77 and name HN) 3.140 1.232 2.732 weight 1.000 ! spec=HCH_al, no=3041, id=4657, vol=2.470000e+06
assign (resid 77 and name HA1) (resid 68 and name HZ) 3.561 1.585 3.085 weight 1.000 ! spec=HCH_al, no=3042, id=4658, vol=1.160000e+06
assign (resid 77 and name HA1) (resid 68 and name HD1) 3.710 1.721 3.221 weight 1.000 ! spec=HCH_al, no=3044, id=4660, vol=9.070000e+05
or (resid 77 and name HA1) (resid 68 and name HD2)
assign (resid 77 and name HA1) (resid 81 and name HZ3) 3.123 1.219 2.719 weight 1.000 ! spec=HCH_al, no=3045, id=4661, vol=2.550000e+06
assign (resid 77 and name HA1) (resid 30 and name HA) 3.639 1.655 3.155 weight 1.000 ! spec=HCH_al, no=3047, id=4663, vol=1.020000e+06
assign (resid 77 and name HA1) (resid 30 and name HB2) 3.615 1.634 3.134 weight 1.000 ! spec=HCH_al, no=3051, id=4666, vol=1.060000e+06
assign (resid 77 and name HA1) (resid 30 and name HG1) 3.807 1.811 3.311 weight 1.000 ! spec=HCH_al, no=3052, id=4667, vol=7.780000e+05
assign (resid 77 and name HA2) (resid 30 and name HG1) 3.870 1.872 3.372 weight 1.000 ! spec=HCH_al, no=3053, id=4668, vol=7.050000e+05
assign (resid 77 and name HA1) (resid 71 and name HD12) 2.983 1.112 2.612 weight 1.000 ! spec=HCH_al, no=3054, id=4669, vol=3.360000e+06
or (resid 77 and name HA1) (resid 71 and name HD11)
or (resid 77 and name HA1) (resid 71 and name HD13)
assign (resid 77 and name HA2) (resid 69 and name HB1) 3.766 1.773 3.273 weight 1.000 ! spec=HCH_al, no=3055, id=4670, vol=8.290000e+05
assign (resid 78 and name HA) (resid 69 and name HN) 3.208 1.287 2.787 weight 1.000 ! spec=HCH_al, no=3057, id=4672, vol=2.170000e+06
assign (resid 78 and name HB1) (resid 81 and name HE1) 3.639 1.655 3.155 weight 1.000 ! spec=HCH_al, no=3058, id=4673, vol=1.020000e+06
assign (resid 80 and name HN) (resid 78 and name HB1) 3.223 1.299 2.799 weight 1.000 ! spec=HCH_al, no=3059, id=4674, vol=2.110000e+06
assign (resid 78 and name HN) (resid 78 and name HB1) 3.295 1.357 2.857 weight 1.000 ! spec=HCH_al, no=3062, id=4677, vol=1.850000e+06
assign (resid 78 and name HB2) (resid 78 and name HG) 3.206 1.285 2.785 weight 1.000 ! spec=HCH_al, no=3070, id=4684, vol=2.180000e+06
assign (resid 78 and name HB2) (resid 78 and name HD12) 2.721 0.926 2.426 weight 1.000 ! spec=HCH_al, no=3071, id=4685, vol=5.830000e+06
or (resid 78 and name HB2) (resid 78 and name HD11)
or (resid 78 and name HB2) (resid 78 and name HD13)
assign (resid 78 and name HN) (resid 78 and name HB2) 3.182 1.266 2.766 weight 1.000 ! spec=HCH_al, no=3072, id=4686, vol=2.280000e+06
assign (resid 78 and name HB2) (resid 78 and name HA) 3.221 1.297 2.797 weight 1.000 ! spec=HCH_al, no=3073, id=4687, vol=2.120000e+06
assign (resid 78 and name HB1) (resid 78 and name HG) 3.218 1.295 2.795 weight 1.000 ! spec=HCH_al, no=3078, id=4692, vol=2.130000e+06
assign (resid 78 and name HD22) (resid 69 and name HB1) 2.983 1.112 2.612 weight 1.000 ! spec=HCH_al, no=3079, id=4693, vol=3.360000e+06
or (resid 78 and name HD21) (resid 69 and name HB1)
or (resid 78 and name HD23) (resid 69 and name HB1)
assign (resid 79 and name HB1) (resid 79 and name HE) 3.527 1.555 3.055 weight 1.000 ! spec=HCH_al, no=3080, id=4694, vol=1.230000e+06
assign (resid 79 and name HB1) (resid 79 and name HB2) 2.455 0.754 2.254 weight 1.000 ! spec=HCH_al, no=3083, id=4697, vol=1.080000e+07
assign (resid 79 and name HB1) (resid 69 and name HB1) 3.355 1.407 2.907 weight 1.000 ! spec=HCH_al, no=3084, id=4698, vol=1.660000e+06
assign (resid 69 and name HD12) (resid 79 and name HB1) 3.386 1.433 2.933 weight 1.000 ! spec=HCH_al, no=3085, id=4699, vol=1.570000e+06
or (resid 69 and name HD11) (resid 79 and name HB1)
or (resid 69 and name HD13) (resid 79 and name HB1)
assign (resid 79 and name HB1) (resid 69 and name HD22) 3.527 1.555 3.055 weight 1.000 ! spec=HCH_al, no=3086, id=4700, vol=1.230000e+06
or (resid 79 and name HB1) (resid 69 and name HD21)
or (resid 79 and name HB1) (resid 69 and name HD23)
assign (resid 79 and name HG2) (resid 79 and name HE) 2.693 0.906 2.406 weight 1.000 ! spec=HCH_al, no=3088, id=4702, vol=6.210000e+06
assign (resid 72 and name HN) (resid 72 and name HA) 2.515 0.791 2.291 weight 1.000 ! spec=HCH_al, no=3092, id=4706, vol=9.350000e+06
assign (resid 80 and name HB1) (resid 80 and name HA) 2.351 0.691 2.191 weight 1.000 ! spec=HCH_al, no=3095, id=4709, vol=1.400000e+07
assign (resid 81 and name HB2) (resid 81 and name HA) 2.660 0.885 2.385 weight 1.000 ! spec=HCH_al, no=3096, id=4710, vol=6.680000e+06
assign (resid 81 and name HB2) (resid 82 and name HN) 3.383 1.430 2.93 weight 1.000 ! spec=HCH_al, no=3098, id=4711, vol=1.580000e+06
assign (resid 82 and name HN) (resid 81 and name HB1) 3.275 1.340 2.84 weight 1.000 ! spec=HCH_al, no=3100, id=4713, vol=1.920000e+06
assign (resid 81 and name HB1) (resid 82 and name HD1) 3.477 1.511 3.011 weight 1.000 ! spec=HCH_al, no=3101, id=4714, vol=1.340000e+06
or (resid 81 and name HB1) (resid 82 and name HD2)
assign (resid 81 and name HB2) (resid 82 and name HD1) 3.486 1.519 3.019 weight 1.000 ! spec=HCH_al, no=3102, id=4715, vol=1.320000e+06
or (resid 81 and name HB2) (resid 82 and name HD2)
assign (resid 83 and name HB1) (resid 84 and name HD1) 3.263 1.331 2.831 weight 1.000 ! spec=HCH_al, no=3110, id=4720, vol=1.960000e+06
or (resid 83 and name HB1) (resid 84 and name HD2)
assign (resid 34 and name HN) (resid 34 and name HB2) 2.314 0.670 2.17 weight 1.000 ! spec=HCH_al, no=3113, id=4722, vol=1.540000e+07
or (resid 34 and name HN) (resid 34 and name HB1)
assign (resid 83 and name HD1) (resid 84 and name HE1) 3.258 1.327 2.827 weight 1.000 ! spec=HCH_al, no=3114, id=4723, vol=1.980000e+06
or (resid 83 and name HD1) (resid 84 and name HE2)
assign (resid 83 and name HD2) (resid 83 and name HD1) 1.521 0.289 1.789 weight 1.000 ! spec=HCH_al, no=3115, id=4724, vol=1.910000e+08
assign (resid 84 and name HA) (resid 84 and name HN) 1.993 0.496 1.996 weight 1.000 ! spec=HCH_al, no=3117, id=4726, vol=3.780000e+07
assign (resid 165 and name HA) (resid 165 and name HB1) 2.189 0.599 2.099 weight 1.000 ! spec=HCH_al, no=3119, id=4727, vol=2.150000e+07
assign (resid 151 and name HN) (resid 150 and name HB1) 2.295 0.658 2.158 weight 1.000 ! spec=HCH_al, no=3125, id=4730, vol=1.620000e+07
assign (resid 126 and name HB1) (resid 127 and name HB1) 2.629 0.864 2.364 weight 1.000 ! spec=HCH_al, no=3140, id=4743, vol=7.170000e+06
assign (resid 148 and name HB2) (resid 154 and name HB1) 2.728 0.930 2.43 weight 1.000 ! spec=HCH_al, no=3141, id=4744, vol=5.740000e+06
assign (resid 150 and name HB1) (resid 151 and name HA) 2.463 0.758 2.258 weight 1.000 ! spec=HCH_al, no=3158, id=4756, vol=1.060000e+07
assign (resid 112 and name HN) (resid 111 and name HB2) 2.403 0.722 2.222 weight 1.000 ! spec=HCH_al, no=3173, id=4769, vol=1.230000e+07
assign (resid 106 and name HN) (resid 108 and name HB1) 2.876 1.034 2.534 weight 1.000 ! spec=HCH_al, no=3188, id=4782, vol=4.180000e+06
assign (resid 27 and name HN) (resid 26 and name HB1) 2.687 0.902 2.402 weight 1.000 ! spec=HCH_al, no=3190, id=4784, vol=6.290000e+06
assign (resid 91 and name HN) (resid 90 and name HA) 1.932 0.467 1.967 weight 1.000 ! spec=HCH_al, no=3192, id=4786, vol=4.550000e+07
assign (resid 94 and name HN) (resid 94 and name HB) 2.518 0.792 2.292 weight 1.000 ! spec=HCH_al, no=3199, id=4792, vol=9.290000e+06
assign (resid 92 and name HN) (resid 91 and name HA) 1.843 0.425 1.925 weight 1.000 ! spec=HCH_al, no=3200, id=4793, vol=6.030000e+07
assign (resid 94 and name HA) (resid 95 and name HG22) 2.696 0.908 2.408 weight 1.000 ! spec=HCH_al, no=3203, id=4796, vol=6.170000e+06
or (resid 94 and name HA) (resid 95 and name HG21)
or (resid 94 and name HA) (resid 95 and name HG23)
assign (resid 91 and name HA) (resid 92 and name HB1) 2.971 1.104 2.604 weight 1.000 ! spec=HCH_al, no=3204, id=4797, vol=3.440000e+06
assign (resid 92 and name HN) (resid 92 and name HB2) 2.802 0.981 2.481 weight 1.000 ! spec=HCH_al, no=3210, id=4801, vol=4.890000e+06
assign (resid 114 and name HG2) (resid 114 and name HB2) 1.955 0.478 1.978 weight 1.000 ! spec=HCH_al, no=3216, id=4806, vol=4.240000e+07
or (resid 114 and name HG2) (resid 114 and name HB1)
or (resid 114 and name HG1) (resid 114 and name HB2)
or (resid 114 and name HG1) (resid 114 and name HB1)
assign (resid 93 and name HA) (resid 94 and name HG21) 2.904 1.054 2.554 weight 1.000 ! spec=HCH_al, no=3220, id=4808, vol=3.950000e+06
or (resid 93 and name HA) (resid 94 and name HG22)
or (resid 93 and name HA) (resid 94 and name HG23)
assign (resid 5 and name HB2) (resid 6 and name HD1) 3.369 1.418 2.918 weight 1.000 ! spec=HCH_al, no=3234, id=4821, vol=1.620000e+06
or (resid 5 and name HB2) (resid 6 and name HD2)
or (resid 5 and name HB1) (resid 6 and name HD1)
or (resid 5 and name HB1) (resid 6 and name HD2)
assign (resid 95 and name HA) (resid 96 and name HG2) 2.744 0.941 2.441 weight 1.000 ! spec=HCH_al, no=3236, id=4823, vol=5.550000e+06
or (resid 95 and name HA) (resid 96 and name HG1)
assign (resid 17 and name HN) (resid 17 and name HB) 2.419 0.732 2.232 weight 1.000 ! spec=HCH_al, no=3241, id=4828, vol=1.180000e+07
assign (resid 94 and name HN) (resid 93 and name HB2) 2.749 0.944 2.444 weight 1.000 ! spec=HCH_al, no=3245, id=4831, vol=5.490000e+06
assign (resid 95 and name HN) (resid 94 and name HG21) 2.279 0.649 2.149 weight 1.000 ! spec=HCH_al, no=3250, id=4835, vol=1.690000e+07
or (resid 95 and name HN) (resid 94 and name HG22)
or (resid 95 and name HN) (resid 94 and name HG23)
assign (resid 94 and name HN) (resid 94 and name HG21) 2.354 0.693 2.193 weight 1.000 ! spec=HCH_al, no=3251, id=4836, vol=1.390000e+07
or (resid 94 and name HN) (resid 94 and name HG22)
or (resid 94 and name HN) (resid 94 and name HG23)
assign (resid 106 and name HN) (resid 105 and name HA) 1.777 0.395 1.895 weight 1.000 ! spec=HCH_al, no=3252, id=4837, vol=7.520000e+07
assign (resid 105 and name HA) (resid 105 and name HB2) 1.727 0.373 1.873 weight 1.000 ! spec=HCH_al, no=3255, id=4839, vol=8.920000e+07
or (resid 105 and name HA) (resid 105 and name HB1)
or (resid 105 and name HA) (resid 105 and name HB3)
assign (resid 96 and name HN) (resid 95 and name HA) 1.830 0.418 1.918 weight 1.000 ! spec=HCH_al, no=3256, id=4840, vol=6.310000e+07
assign (resid 114 and name HG2) (resid 114 and name HA) 2.223 0.618 2.118 weight 1.000 ! spec=HCH_al, no=3258, id=4842, vol=1.960000e+07
or (resid 114 and name HG1) (resid 114 and name HA)
assign (resid 115 and name HB2) (resid 116 and name HA) 2.963 1.097 2.597 weight 1.000 ! spec=HCH_al, no=3261, id=4844, vol=3.500000e+06
assign (resid 153 and name HB) (resid 152 and name HA) 2.935 1.077 2.577 weight 1.000 ! spec=HCH_al, no=3263, id=4846, vol=3.700000e+06
assign (resid 165 and name HA) (resid 165 and name HN) 2.413 0.728 2.228 weight 1.000 ! spec=HCH_al, no=3270, id=4852, vol=1.200000e+07
assign (resid 165 and name HN) (resid 165 and name HB2) 2.582 0.833 2.333 weight 1.000 ! spec=HCH_al, no=3272, id=4854, vol=7.990000e+06
assign (resid 165 and name HB2) (resid 165 and name HA) 2.381 0.708 2.208 weight 1.000 ! spec=HCH_al, no=3276, id=4858, vol=1.300000e+07
assign (resid 165 and name HB2) (resid 165 and name HB1) 1.507 0.284 1.784 weight 1.000 ! spec=HCH_al, no=3279, id=4860, vol=2.020000e+08
assign (resid 76 and name HE1) (resid 59 and name HD1) 3.127 1.223 2.723 weight 1.000 ! spec=HCH_ar, no=20, id=4866, vol=3.540000e+05
or (resid 76 and name HE1) (resid 59 and name HD2)
assign (resid 59 and name HN) (resid 59 and name HD1) 2.585 0.835 2.335 weight 1.000 ! spec=HCH_ar, no=21, id=4867, vol=1.110000e+06
or (resid 59 and name HN) (resid 59 and name HD2)
assign (resid 59 and name HD1) (resid 56 and name HN) 3.211 1.289 2.789 weight 1.000 ! spec=HCH_ar, no=22, id=4868, vol=3.020000e+05
or (resid 59 and name HD2) (resid 56 and name HN)
assign (resid 59 and name HD1) (resid 33 and name HZ) 2.552 0.814 2.314 weight 1.000 ! spec=HCH_ar, no=24, id=4870, vol=1.200000e+06
or (resid 59 and name HD2) (resid 33 and name HZ)
assign (resid 56 and name HA) (resid 59 and name HD1) 2.736 0.936 2.436 weight 1.000 ! spec=HCH_ar, no=29, id=4872, vol=7.890000e+05
or (resid 56 and name HA) (resid 59 and name HD2)
assign (resid 59 and name HA) (resid 59 and name HD1) 2.253 0.635 2.135 weight 1.000 ! spec=HCH_ar, no=31, id=4874, vol=2.530000e+06
or (resid 59 and name HA) (resid 59 and name HD2)
assign (resid 59 and name HB2) (resid 59 and name HD1) 2.264 0.641 2.141 weight 1.000 ! spec=HCH_ar, no=32, id=4875, vol=2.460000e+06
or (resid 59 and name HB2) (resid 59 and name HD2)
assign (resid 59 and name HB1) (resid 59 and name HD1) 2.272 0.645 2.145 weight 1.000 ! spec=HCH_ar, no=33, id=4876, vol=2.410000e+06
or (resid 59 and name HB1) (resid 59 and name HD2)
assign (resid 56 and name HB2) (resid 59 and name HD1) 2.656 0.882 2.382 weight 1.000 ! spec=HCH_ar, no=34, id=4877, vol=9.430000e+05
or (resid 56 and name HB2) (resid 59 and name HD2)
or (resid 56 and name HB1) (resid 59 and name HD1)
or (resid 56 and name HB1) (resid 59 and name HD2)
or (resid 56 and name HB3) (resid 59 and name HD1)
or (resid 56 and name HB3) (resid 59 and name HD2)
assign (resid 55 and name HG22) (resid 59 and name HD1) 2.699 0.910 2.41 weight 1.000 ! spec=HCH_ar, no=36, id=4879, vol=8.570000e+05
or (resid 55 and name HG22) (resid 59 and name HD2)
or (resid 55 and name HG21) (resid 59 and name HD1)
or (resid 55 and name HG21) (resid 59 and name HD2)
or (resid 55 and name HG23) (resid 59 and name HD1)
or (resid 55 and name HG23) (resid 59 and name HD2)
assign (resid 59 and name HD1) (resid 62 and name HG) 3.348 1.401 2.901 weight 1.000 ! spec=HCH_ar, no=38, id=4881, vol=2.350000e+05
or (resid 59 and name HD2) (resid 62 and name HG)
assign (resid 17 and name HN) (resid 58 and name HE1) 3.305 1.366 2.866 weight 1.000 ! spec=HCH_ar, no=40, id=4883, vol=2.540000e+05
or (resid 17 and name HN) (resid 58 and name HE2)
assign (resid 20 and name HN) (resid 58 and name HE1) 3.481 1.515 3.015 weight 1.000 ! spec=HCH_ar, no=41, id=4884, vol=1.860000e+05
or (resid 20 and name HN) (resid 58 and name HE2)
assign (resid 58 and name HE1) (resid 58 and name HB1) 3.448 1.486 2.986 weight 1.000 ! spec=HCH_ar, no=46, id=4888, vol=1.970000e+05
or (resid 58 and name HE2) (resid 58 and name HB1)
assign (resid 58 and name HE1) (resid 62 and name HD22) 2.559 0.818 2.318 weight 1.000 ! spec=HCH_ar, no=49, id=4891, vol=1.180000e+06
or (resid 58 and name HE1) (resid 62 and name HD21)
or (resid 58 and name HE1) (resid 62 and name HD23)
or (resid 58 and name HE2) (resid 62 and name HD22)
or (resid 58 and name HE2) (resid 62 and name HD21)
or (resid 58 and name HE2) (resid 62 and name HD23)
assign (resid 58 and name HE1) (resid 17 and name HG22) 2.704 0.914 2.414 weight 1.000 ! spec=HCH_ar, no=52, id=4894, vol=8.470000e+05
or (resid 58 and name HE1) (resid 17 and name HG21)
or (resid 58 and name HE1) (resid 17 and name HG23)
or (resid 58 and name HE1) (resid 17 and name HG12)
or (resid 58 and name HE1) (resid 17 and name HG11)
or (resid 58 and name HE1) (resid 17 and name HG13)
or (resid 58 and name HE2) (resid 17 and name HG22)
or (resid 58 and name HE2) (resid 17 and name HG21)
or (resid 58 and name HE2) (resid 17 and name HG23)
or (resid 58 and name HE2) (resid 17 and name HG12)
or (resid 58 and name HE2) (resid 17 and name HG11)
or (resid 58 and name HE2) (resid 17 and name HG13)
assign (resid 58 and name HE1) (resid 37 and name HB2) 3.215 1.292 2.792 weight 1.000 ! spec=HCH_ar, no=53, id=4895, vol=3.000000e+05
or (resid 58 and name HE2) (resid 37 and name HB2)
assign (resid 37 and name HN) (resid 58 and name HE1) 3.563 1.586 3.086 weight 1.000 ! spec=HCH_ar, no=54, id=4896, vol=1.620000e+05
or (resid 37 and name HN) (resid 58 and name HE2)
assign (resid 59 and name HE1) (resid 56 and name HB2) 3.239 1.311 2.811 weight 1.000 ! spec=HCH_ar, no=59, id=4901, vol=2.870000e+05
or (resid 59 and name HE1) (resid 56 and name HB1)
or (resid 59 and name HE1) (resid 56 and name HB3)
or (resid 59 and name HE2) (resid 56 and name HB2)
or (resid 59 and name HE2) (resid 56 and name HB1)
or (resid 59 and name HE2) (resid 56 and name HB3)
assign (resid 59 and name HA) (resid 59 and name HE1) 2.937 1.078 2.578 weight 1.000 ! spec=HCH_ar, no=65, id=4906, vol=5.160000e+05
or (resid 59 and name HA) (resid 59 and name HE2)
assign (resid 76 and name HE1) (resid 59 and name HE1) 2.718 0.924 2.424 weight 1.000 ! spec=HCH_ar, no=74, id=4914, vol=8.210000e+05
or (resid 76 and name HE1) (resid 59 and name HE2)
assign (resid 6 and name HE1) (resid 19 and name HA) 3.537 1.564 3.064 weight 1.000 ! spec=HCH_ar, no=77, id=4916, vol=1.690000e+05
or (resid 6 and name HE2) (resid 19 and name HA)
assign (resid 22 and name HG1) (resid 6 and name HE1) 2.622 0.859 2.359 weight 1.000 ! spec=HCH_ar, no=79, id=4918, vol=1.020000e+06
or (resid 22 and name HG1) (resid 6 and name HE2)
assign (resid 6 and name HE1) (resid 3 and name HB) 2.728 0.930 2.43 weight 1.000 ! spec=HCH_ar, no=81, id=4920, vol=8.030000e+05
or (resid 6 and name HE2) (resid 3 and name HB)
assign (resid 3 and name HD12) (resid 6 and name HE1) 2.398 0.719 2.219 weight 1.000 ! spec=HCH_ar, no=85, id=4924, vol=1.740000e+06
or (resid 3 and name HD12) (resid 6 and name HE2)
or (resid 3 and name HD11) (resid 6 and name HE1)
or (resid 3 and name HD11) (resid 6 and name HE2)
or (resid 3 and name HD13) (resid 6 and name HE1)
or (resid 3 and name HD13) (resid 6 and name HE2)
assign (resid 6 and name HE1) (resid 2 and name HA1) 3.270 1.336 2.836 weight 1.000 ! spec=HCH_ar, no=86, id=4925, vol=2.710000e+05
or (resid 6 and name HE2) (resid 2 and name HA1)
assign (resid 3 and name HA) (resid 6 and name HE1) 2.343 0.686 2.186 weight 1.000 ! spec=HCH_ar, no=87, id=4926, vol=2.000000e+06
or (resid 3 and name HA) (resid 6 and name HE2)
assign (resid 6 and name HE1) (resid 4 and name HN) 3.451 1.489 2.989 weight 1.000 ! spec=HCH_ar, no=97, id=4934, vol=1.960000e+05
or (resid 6 and name HE2) (resid 4 and name HN)
assign (resid 76 and name HH2) (resid 63 and name HB1) 3.457 1.494 2.994 weight 1.000 ! spec=HCH_ar, no=99, id=4936, vol=1.940000e+05
assign (resid 70 and name HB2) (resid 76 and name HH2) 2.714 0.921 2.421 weight 1.000 ! spec=HCH_ar, no=102, id=4939, vol=8.280000e+05
or (resid 70 and name HB1) (resid 76 and name HH2)
or (resid 70 and name HB3) (resid 76 and name HH2)
assign (resid 62 and name HB2) (resid 76 and name HH2) 3.517 1.546 3.046 weight 1.000 ! spec=HCH_ar, no=103, id=4940, vol=1.750000e+05
assign (resid 62 and name HB1) (resid 76 and name HH2) 3.445 1.484 2.984 weight 1.000 ! spec=HCH_ar, no=104, id=4941, vol=1.980000e+05
assign (resid 76 and name HH2) (resid 76 and name HE3) 3.147 1.238 2.738 weight 1.000 ! spec=HCH_ar, no=108, id=4944, vol=3.410000e+05
assign (resid 76 and name HH2) (resid 63 and name HB2) 3.848 1.851 3.351 weight 1.000 ! spec=HCH_ar, no=109, id=4945, vol=1.020000e+05
assign (resid 76 and name HH2) (resid 63 and name HD22) 3.270 1.336 2.836 weight 1.000 ! spec=HCH_ar, no=111, id=4947, vol=2.710000e+05
assign (resid 76 and name HZ3) (resid 70 and name HN) 3.373 1.422 2.922 weight 1.000 ! spec=HCH_ar, no=112, id=4948, vol=2.250000e+05
assign (resid 69 and name HN) (resid 76 and name HZ3) 3.514 1.543 3.043 weight 1.000 ! spec=HCH_ar, no=114, id=4950, vol=1.760000e+05
assign (resid 70 and name HB2) (resid 76 and name HZ3) 2.994 1.120 2.62 weight 1.000 ! spec=HCH_ar, no=116, id=4952, vol=4.600000e+05
or (resid 70 and name HB1) (resid 76 and name HZ3)
or (resid 70 and name HB3) (resid 76 and name HZ3)
assign (resid 62 and name HB1) (resid 76 and name HZ3) 3.295 1.357 2.857 weight 1.000 ! spec=HCH_ar, no=117, id=4953, vol=2.590000e+05
assign (resid 76 and name HZ3) (resid 69 and name HA) 3.270 1.336 2.836 weight 1.000 ! spec=HCH_ar, no=119, id=4955, vol=2.710000e+05
assign (resid 63 and name HA) (resid 76 and name HZ3) 3.030 1.148 2.648 weight 1.000 ! spec=HCH_ar, no=120, id=4956, vol=4.280000e+05
assign (resid 68 and name HB2) (resid 76 and name HZ3) 3.196 1.276 2.776 weight 1.000 ! spec=HCH_ar, no=121, id=4957, vol=3.110000e+05
assign (resid 68 and name HB1) (resid 76 and name HZ3) 3.189 1.271 2.771 weight 1.000 ! spec=HCH_ar, no=122, id=4958, vol=3.150000e+05
assign (resid 62 and name HD12) (resid 76 and name HZ3) 3.123 1.219 2.719 weight 1.000 ! spec=HCH_ar, no=127, id=4961, vol=3.570000e+05
or (resid 62 and name HD11) (resid 76 and name HZ3)
or (resid 62 and name HD13) (resid 76 and name HZ3)
assign (resid 33 and name HE1) (resid 33 and name HB1) 3.103 1.204 2.704 weight 1.000 ! spec=HCH_ar, no=133, id=4966, vol=3.710000e+05
or (resid 33 and name HE2) (resid 33 and name HB1)
assign (resid 34 and name HN) (resid 33 and name HE1) 3.735 1.744 3.244 weight 1.000 ! spec=HCH_ar, no=135, id=4968, vol=1.220000e+05
or (resid 34 and name HN) (resid 33 and name HE2)
assign (resid 33 and name HN) (resid 33 and name HD1) 3.481 1.515 3.015 weight 1.000 ! spec=HCH_ar, no=139, id=4972, vol=1.860000e+05
or (resid 33 and name HN) (resid 33 and name HD2)
assign (resid 33 and name HD1) (resid 62 and name HG) 3.472 1.507 3.007 weight 1.000 ! spec=HCH_ar, no=146, id=4978, vol=1.890000e+05
or (resid 33 and name HD2) (resid 62 and name HG)
assign (resid 33 and name HE1) (resid 37 and name HD22) 2.939 1.080 2.58 weight 1.000 ! spec=HCH_ar, no=147, id=4979, vol=5.140000e+05
or (resid 33 and name HE1) (resid 37 and name HD21)
or (resid 33 and name HE1) (resid 37 and name HD23)
or (resid 33 and name HE1) (resid 37 and name HD12)
or (resid 33 and name HE1) (resid 37 and name HD11)
or (resid 33 and name HE1) (resid 37 and name HD13)
or (resid 33 and name HE2) (resid 37 and name HD22)
or (resid 33 and name HE2) (resid 37 and name HD21)
or (resid 33 and name HE2) (resid 37 and name HD23)
or (resid 33 and name HE2) (resid 37 and name HD12)
or (resid 33 and name HE2) (resid 37 and name HD11)
or (resid 33 and name HE2) (resid 37 and name HD13)
assign (resid 33 and name HD1) (resid 37 and name HD22) 2.791 0.974 2.474 weight 1.000 ! spec=HCH_ar, no=148, id=4980, vol=7.010000e+05
or (resid 33 and name HD1) (resid 37 and name HD21)
or (resid 33 and name HD1) (resid 37 and name HD23)
or (resid 33 and name HD1) (resid 37 and name HD12)
or (resid 33 and name HD1) (resid 37 and name HD11)
or (resid 33 and name HD1) (resid 37 and name HD13)
or (resid 33 and name HD2) (resid 37 and name HD22)
or (resid 33 and name HD2) (resid 37 and name HD21)
or (resid 33 and name HD2) (resid 37 and name HD23)
or (resid 33 and name HD2) (resid 37 and name HD12)
or (resid 33 and name HD2) (resid 37 and name HD11)
or (resid 33 and name HD2) (resid 37 and name HD13)
assign (resid 33 and name HD1) (resid 55 and name HG22) 3.004 1.128 2.628 weight 1.000 ! spec=HCH_ar, no=149, id=4981, vol=4.510000e+05
or (resid 33 and name HD1) (resid 55 and name HG21)
or (resid 33 and name HD1) (resid 55 and name HG23)
or (resid 33 and name HD2) (resid 55 and name HG22)
or (resid 33 and name HD2) (resid 55 and name HG21)
or (resid 33 and name HD2) (resid 55 and name HG23)
assign (resid 84 and name HE1) (resid 81 and name HE3) 2.538 0.805 2.305 weight 1.000 ! spec=HCH_ar, no=153, id=4985, vol=1.240000e+06
or (resid 84 and name HE2) (resid 81 and name HE3)
assign (resid 82 and name HE1) (resid 79 and name HA) 2.793 0.975 2.475 weight 1.000 ! spec=HCH_ar, no=157, id=4989, vol=6.970000e+05
or (resid 82 and name HE2) (resid 79 and name HA)
assign (resid 82 and name HE1) (resid 78 and name HN) 2.909 1.057 2.557 weight 1.000 ! spec=HCH_ar, no=158, id=4990, vol=5.470000e+05
or (resid 82 and name HE2) (resid 78 and name HN)
assign (resid 33 and name HD1) (resid 33 and name HZ) 2.748 0.944 2.444 weight 1.000 ! spec=HCH_ar, no=179, id=5010, vol=7.690000e+05
or (resid 33 and name HD2) (resid 33 and name HZ)
assign (resid 33 and name HE1) (resid 33 and name HD1) 2.061 0.531 2.031 weight 1.000 ! spec=HCH_ar, no=181, id=5011, vol=4.320000e+06
or (resid 33 and name HE1) (resid 33 and name HD2)
or (resid 33 and name HE2) (resid 33 and name HD1)
or (resid 33 and name HE2) (resid 33 and name HD2)
assign (resid 59 and name HA) (resid 33 and name HD1) 3.292 1.355 2.855 weight 1.000 ! spec=HCH_ar, no=183, id=5013, vol=2.600000e+05
or (resid 59 and name HA) (resid 33 and name HD2)
assign (resid 33 and name HD1) (resid 59 and name HD1) 3.327 1.384 2.884 weight 1.000 ! spec=HCH_ar, no=184, id=5014, vol=2.440000e+05
or (resid 33 and name HD1) (resid 59 and name HD2)
or (resid 33 and name HD2) (resid 59 and name HD1)
or (resid 33 and name HD2) (resid 59 and name HD2)
assign (resid 81 and name HN) (resid 81 and name HD1) 2.788 0.972 2.472 weight 1.000 ! spec=HCH_ar, no=186, id=5016, vol=7.050000e+05
assign (resid 81 and name HD1) (resid 78 and name HB1) 3.481 1.515 3.015 weight 1.000 ! spec=HCH_ar, no=191, id=5019, vol=1.860000e+05
assign (resid 81 and name HD1) (resid 81 and name HE1) 2.162 0.584 2.084 weight 1.000 ! spec=HCH_ar, no=192, id=5020, vol=3.240000e+06
assign (resid 81 and name HA) (resid 81 and name HD1) 2.256 0.636 2.136 weight 1.000 ! spec=HCH_ar, no=193, id=5021, vol=2.510000e+06
assign (resid 81 and name HD1) (resid 80 and name HB2) 3.574 1.596 3.096 weight 1.000 ! spec=HCH_ar, no=194, id=5022, vol=1.590000e+05
assign (resid 81 and name HB2) (resid 81 and name HD1) 3.185 1.268 2.768 weight 1.000 ! spec=HCH_ar, no=195, id=5023, vol=3.170000e+05
assign (resid 81 and name HB1) (resid 81 and name HD1) 3.091 1.194 2.694 weight 1.000 ! spec=HCH_ar, no=196, id=5024, vol=3.800000e+05
assign (resid 76 and name HH2) (resid 76 and name HZ2) 2.034 0.517 2.017 weight 1.000 ! spec=HCH_ar, no=200, id=5027, vol=4.670000e+06
assign (resid 76 and name HZ2) (resid 63 and name HB1) 3.360 1.412 2.912 weight 1.000 ! spec=HCH_ar, no=204, id=5030, vol=2.300000e+05
assign (resid 76 and name HE1) (resid 76 and name HZ2) 2.389 0.714 2.214 weight 1.000 ! spec=HCH_ar, no=205, id=5031, vol=1.780000e+06
assign (resid 76 and name HZ2) (resid 59 and name HD1) 3.058 1.169 2.669 weight 1.000 ! spec=HCH_ar, no=209, id=5035, vol=4.050000e+05
or (resid 76 and name HZ2) (resid 59 and name HD2)
assign (resid 76 and name HZ2) (resid 63 and name HA) 3.025 1.144 2.644 weight 1.000 ! spec=HCH_ar, no=210, id=5036, vol=4.320000e+05
assign (resid 76 and name HZ2) (resid 63 and name HD22) 2.669 0.890 2.39 weight 1.000 ! spec=HCH_ar, no=211, id=5037, vol=9.170000e+05
assign (resid 21 and name HN) (resid 68 and name HE1) 3.085 1.190 2.69 weight 1.000 ! spec=HCH_ar, no=212, id=5038, vol=3.840000e+05
or (resid 21 and name HN) (resid 68 and name HE2)
assign (resid 68 and name HE1) (resid 17 and name HG22) 2.370 0.702 2.202 weight 1.000 ! spec=HCH_ar, no=217, id=5042, vol=1.870000e+06
or (resid 68 and name HE1) (resid 17 and name HG21)
or (resid 68 and name HE1) (resid 17 and name HG23)
or (resid 68 and name HE1) (resid 17 and name HG12)
or (resid 68 and name HE1) (resid 17 and name HG11)
or (resid 68 and name HE1) (resid 17 and name HG13)
or (resid 68 and name HE2) (resid 17 and name HG22)
or (resid 68 and name HE2) (resid 17 and name HG21)
or (resid 68 and name HE2) (resid 17 and name HG23)
or (resid 68 and name HE2) (resid 17 and name HG12)
or (resid 68 and name HE2) (resid 17 and name HG11)
or (resid 68 and name HE2) (resid 17 and name HG13)
assign (resid 68 and name HE1) (resid 68 and name HZ) 2.398 0.719 2.219 weight 1.000 ! spec=HCH_ar, no=218, id=5043, vol=1.740000e+06
or (resid 68 and name HE2) (resid 68 and name HZ)
assign (resid 68 and name HE1) (resid 68 and name HD1) 2.229 0.621 2.121 weight 1.000 ! spec=HCH_ar, no=220, id=5045, vol=2.700000e+06
or (resid 68 and name HE1) (resid 68 and name HD2)
or (resid 68 and name HE2) (resid 68 and name HD1)
or (resid 68 and name HE2) (resid 68 and name HD2)
assign (resid 68 and name HE1) (resid 21 and name HD2) 3.217 1.293 2.793 weight 1.000 ! spec=HCH_ar, no=223, id=5047, vol=2.990000e+05
or (resid 68 and name HE2) (resid 21 and name HD2)
assign (resid 68 and name HE1) (resid 24 and name HB1) 3.141 1.233 2.733 weight 1.000 ! spec=HCH_ar, no=224, id=5048, vol=3.450000e+05
or (resid 68 and name HE2) (resid 24 and name HB1)
assign (resid 21 and name HB1) (resid 68 and name HE1) 2.907 1.056 2.556 weight 1.000 ! spec=HCH_ar, no=226, id=5050, vol=5.490000e+05
or (resid 21 and name HB1) (resid 68 and name HE2)
assign (resid 21 and name HA) (resid 68 and name HE1) 2.786 0.970 2.47 weight 1.000 ! spec=HCH_ar, no=229, id=5053, vol=7.080000e+05
or (resid 21 and name HA) (resid 68 and name HE2)
assign (resid 17 and name HN) (resid 58 and name HD1) 2.839 1.007 2.507 weight 1.000 ! spec=HCH_ar, no=246, id=5060, vol=6.330000e+05
or (resid 17 and name HN) (resid 58 and name HD2)
assign (resid 58 and name HD1) (resid 37 and name HD22) 2.214 0.613 2.113 weight 1.000 ! spec=HCH_ar, no=249, id=5063, vol=2.810000e+06
or (resid 58 and name HD1) (resid 37 and name HD21)
or (resid 58 and name HD1) (resid 37 and name HD23)
or (resid 58 and name HD1) (resid 37 and name HD12)
or (resid 58 and name HD1) (resid 37 and name HD11)
or (resid 58 and name HD1) (resid 37 and name HD13)
or (resid 58 and name HD2) (resid 37 and name HD22)
or (resid 58 and name HD2) (resid 37 and name HD21)
or (resid 58 and name HD2) (resid 37 and name HD23)
or (resid 58 and name HD2) (resid 37 and name HD12)
or (resid 58 and name HD2) (resid 37 and name HD11)
or (resid 58 and name HD2) (resid 37 and name HD13)
assign (resid 16 and name HD12) (resid 58 and name HD1) 2.370 0.702 2.202 weight 1.000 ! spec=HCH_ar, no=250, id=5064, vol=1.870000e+06
or (resid 16 and name HD12) (resid 58 and name HD2)
or (resid 16 and name HD11) (resid 58 and name HD1)
or (resid 16 and name HD11) (resid 58 and name HD2)
or (resid 16 and name HD13) (resid 58 and name HD1)
or (resid 16 and name HD13) (resid 58 and name HD2)
assign (resid 16 and name HB2) (resid 58 and name HD1) 2.570 0.825 2.325 weight 1.000 ! spec=HCH_ar, no=252, id=5066, vol=1.150000e+06
or (resid 16 and name HB2) (resid 58 and name HD2)
assign (resid 58 and name HE1) (resid 58 and name HD1) 1.936 0.469 1.969 weight 1.000 ! spec=HCH_ar, no=253, id=5067, vol=6.280000e+06
or (resid 58 and name HE1) (resid 58 and name HD2)
or (resid 58 and name HE2) (resid 58 and name HD1)
or (resid 58 and name HE2) (resid 58 and name HD2)
assign (resid 62 and name HD22) (resid 58 and name HD1) 2.581 0.833 2.333 weight 1.000 ! spec=HCH_ar, no=255, id=5068, vol=1.120000e+06
or (resid 62 and name HD22) (resid 58 and name HD2)
or (resid 62 and name HD21) (resid 58 and name HD1)
or (resid 62 and name HD21) (resid 58 and name HD2)
or (resid 62 and name HD23) (resid 58 and name HD1)
or (resid 62 and name HD23) (resid 58 and name HD2)
assign (resid 17 and name HA) (resid 58 and name HD1) 2.593 0.840 2.34 weight 1.000 ! spec=HCH_ar, no=256, id=5069, vol=1.090000e+06
or (resid 17 and name HA) (resid 58 and name HD2)
assign (resid 55 and name HA) (resid 58 and name HD1) 2.566 0.823 2.323 weight 1.000 ! spec=HCH_ar, no=257, id=5070, vol=1.160000e+06
or (resid 55 and name HA) (resid 58 and name HD2)
assign (resid 58 and name HA) (resid 58 and name HD1) 2.264 0.641 2.141 weight 1.000 ! spec=HCH_ar, no=259, id=5072, vol=2.460000e+06
or (resid 58 and name HA) (resid 58 and name HD2)
assign (resid 11 and name HD22) (resid 6 and name HD1) 2.175 0.591 2.091 weight 1.000 ! spec=HCH_ar, no=260, id=5073, vol=3.130000e+06
or (resid 11 and name HD22) (resid 6 and name HD2)
or (resid 11 and name HD21) (resid 6 and name HD1)
or (resid 11 and name HD21) (resid 6 and name HD2)
or (resid 11 and name HD23) (resid 6 and name HD1)
or (resid 11 and name HD23) (resid 6 and name HD2)
assign (resid 10 and name HB1) (resid 6 and name HD1) 2.351 0.691 2.191 weight 1.000 ! spec=HCH_ar, no=262, id=5075, vol=1.960000e+06
or (resid 10 and name HB1) (resid 6 and name HD2)
assign (resid 6 and name HD1) (resid 6 and name HA) 2.193 0.601 2.101 weight 1.000 ! spec=HCH_ar, no=265, id=5078, vol=2.980000e+06
or (resid 6 and name HD2) (resid 6 and name HA)
assign (resid 3 and name HA) (resid 6 and name HD1) 2.068 0.535 2.035 weight 1.000 ! spec=HCH_ar, no=267, id=5080, vol=4.230000e+06
or (resid 3 and name HA) (resid 6 and name HD2)
assign (resid 7 and name HN) (resid 6 and name HD1) 2.548 0.812 2.312 weight 1.000 ! spec=HCH_ar, no=269, id=5082, vol=1.210000e+06
or (resid 7 and name HN) (resid 6 and name HD2)
assign (resid 3 and name HN) (resid 6 and name HD1) 3.206 1.285 2.785 weight 1.000 ! spec=HCH_ar, no=270, id=5083, vol=3.050000e+05
or (resid 3 and name HN) (resid 6 and name HD2)
assign (resid 10 and name HB2) (resid 6 and name HD1) 2.552 0.814 2.314 weight 1.000 ! spec=HCH_ar, no=273, id=5086, vol=1.200000e+06
or (resid 10 and name HB2) (resid 6 and name HD2)
assign (resid 6 and name HB1) (resid 6 and name HD1) 2.177 0.592 2.092 weight 1.000 ! spec=HCH_ar, no=274, id=5087, vol=3.110000e+06
or (resid 6 and name HB1) (resid 6 and name HD2)
assign (resid 6 and name HB2) (resid 6 and name HD1) 1.933 0.467 1.967 weight 1.000 ! spec=HCH_ar, no=276, id=5089, vol=6.340000e+06
or (resid 6 and name HB2) (resid 6 and name HD2)
assign (resid 5 and name HN) (resid 6 and name HD1) 2.634 0.867 2.367 weight 1.000 ! spec=HCH_ar, no=277, id=5090, vol=9.920000e+05
or (resid 5 and name HN) (resid 6 and name HD2)
assign (resid 69 and name HB1) (resid 82 and name HD1) 3.006 1.129 2.629 weight 1.000 ! spec=HCH_ar, no=283, id=5095, vol=4.490000e+05
or (resid 69 and name HB1) (resid 82 and name HD2)
assign (resid 69 and name HD22) (resid 82 and name HD1) 2.306 0.665 2.165 weight 1.000 ! spec=HCH_ar, no=284, id=5096, vol=2.200000e+06
or (resid 69 and name HD22) (resid 82 and name HD2)
or (resid 69 and name HD21) (resid 82 and name HD1)
or (resid 69 and name HD21) (resid 82 and name HD2)
or (resid 69 and name HD23) (resid 82 and name HD1)
or (resid 69 and name HD23) (resid 82 and name HD2)
assign (resid 82 and name HB1) (resid 82 and name HD1) 2.160 0.583 2.083 weight 1.000 ! spec=HCH_ar, no=285, id=5097, vol=3.260000e+06
or (resid 82 and name HB1) (resid 82 and name HD2)
assign (resid 83 and name HD1) (resid 82 and name HD1) 2.481 0.769 2.269 weight 1.000 ! spec=HCH_ar, no=286, id=5098, vol=1.420000e+06
or (resid 83 and name HD1) (resid 82 and name HD2)
assign (resid 79 and name HA) (resid 82 and name HD1) 2.524 0.797 2.297 weight 1.000 ! spec=HCH_ar, no=287, id=5099, vol=1.280000e+06
or (resid 79 and name HA) (resid 82 and name HD2)
assign (resid 82 and name HN) (resid 82 and name HD1) 2.319 0.672 2.172 weight 1.000 ! spec=HCH_ar, no=288, id=5100, vol=2.130000e+06
or (resid 82 and name HN) (resid 82 and name HD2)
assign (resid 82 and name HA) (resid 82 and name HD1) 2.303 0.663 2.163 weight 1.000 ! spec=HCH_ar, no=291, id=5102, vol=2.220000e+06
or (resid 82 and name HA) (resid 82 and name HD2)
assign (resid 33 and name HZ) (resid 56 and name HB2) 3.510 1.540 3.04 weight 1.000 ! spec=HCH_ar, no=293, id=5104, vol=1.770000e+05
or (resid 33 and name HZ) (resid 56 and name HB1)
or (resid 33 and name HZ) (resid 56 and name HB3)
assign (resid 55 and name HA) (resid 33 and name HZ) 3.100 1.201 2.701 weight 1.000 ! spec=HCH_ar, no=294, id=5105, vol=3.730000e+05
assign (resid 59 and name HA) (resid 33 and name HZ) 2.897 1.049 2.549 weight 1.000 ! spec=HCH_ar, no=295, id=5106, vol=5.600000e+05
assign (resid 33 and name HZ) (resid 56 and name HA) 3.412 1.455 2.955 weight 1.000 ! spec=HCH_ar, no=296, id=5107, vol=2.100000e+05
assign (resid 59 and name HN) (resid 33 and name HZ) 2.955 1.092 2.592 weight 1.000 ! spec=HCH_ar, no=298, id=5108, vol=4.970000e+05
assign (resid 33 and name HZ) (resid 62 and name HN) 3.705 1.716 3.216 weight 1.000 ! spec=HCH_ar, no=299, id=5109, vol=1.280000e+05
assign (resid 62 and name HD22) (resid 33 and name HZ) 2.933 1.075 2.575 weight 1.000 ! spec=HCH_ar, no=302, id=5112, vol=5.200000e+05
or (resid 62 and name HD21) (resid 33 and name HZ)
or (resid 62 and name HD23) (resid 33 and name HZ)
assign (resid 33 and name HE1) (resid 33 and name HZ) 2.200 0.605 2.105 weight 1.000 ! spec=HCH_ar, no=305, id=5114, vol=2.920000e+06
or (resid 33 and name HE2) (resid 33 and name HZ)
assign (resid 55 and name HB) (resid 33 and name HZ) 3.559 1.583 3.083 weight 1.000 ! spec=HCH_ar, no=307, id=5116, vol=1.630000e+05
assign (resid 81 and name HH2) (resid 30 and name HB2) 3.391 1.437 2.937 weight 1.000 ! spec=HCH_ar, no=309, id=5118, vol=2.180000e+05
assign (resid 32 and name HA) (resid 76 and name HD1) 2.808 0.985 2.485 weight 1.000 ! spec=HCH_ar, no=310, id=5119, vol=6.760000e+05
assign (resid 76 and name HN) (resid 76 and name HD1) 2.819 0.993 2.493 weight 1.000 ! spec=HCH_ar, no=312, id=5121, vol=6.600000e+05
assign (resid 31 and name HN) (resid 81 and name HH2) 3.672 1.686 3.186 weight 1.000 ! spec=HCH_ar, no=313, id=5122, vol=1.350000e+05
assign (resid 28 and name HN) (resid 81 and name HH2) 3.504 1.535 3.035 weight 1.000 ! spec=HCH_ar, no=314, id=5123, vol=1.790000e+05
assign (resid 76 and name HE1) (resid 76 and name HD1) 2.204 0.607 2.107 weight 1.000 ! spec=HCH_ar, no=315, id=5124, vol=2.890000e+06
assign (resid 33 and name HN) (resid 76 and name HD1) 2.678 0.896 2.396 weight 1.000 ! spec=HCH_ar, no=316, id=5125, vol=8.980000e+05
assign (resid 34 and name HN) (resid 76 and name HD1) 3.318 1.377 2.877 weight 1.000 ! spec=HCH_ar, no=317, id=5126, vol=2.480000e+05
assign (resid 33 and name HB2) (resid 76 and name HD1) 2.744 0.941 2.441 weight 1.000 ! spec=HCH_ar, no=318, id=5127, vol=7.760000e+05
assign (resid 76 and name HD1) (resid 76 and name HB2) 2.655 0.881 2.381 weight 1.000 ! spec=HCH_ar, no=319, id=5128, vol=9.450000e+05
or (resid 76 and name HD1) (resid 76 and name HB1)
assign (resid 33 and name HA) (resid 76 and name HD1) 2.691 0.905 2.405 weight 1.000 ! spec=HCH_ar, no=320, id=5129, vol=8.720000e+05
assign (resid 81 and name HH2) (resid 81 and name HZ3) 2.630 0.865 2.365 weight 1.000 ! spec=HCH_ar, no=324, id=5132, vol=1.000000e+06
assign (resid 81 and name HH2) (resid 81 and name HZ2) 2.518 0.792 2.292 weight 1.000 ! spec=HCH_ar, no=326, id=5133, vol=1.300000e+06
assign (resid 76 and name HD1) (resid 36 and name HD22) 2.946 1.085 2.585 weight 1.000 ! spec=HCH_ar, no=327, id=5134, vol=5.070000e+05
or (resid 76 and name HD1) (resid 36 and name HD21)
or (resid 76 and name HD1) (resid 36 and name HD23)
or (resid 76 and name HD1) (resid 36 and name HD12)
or (resid 76 and name HD1) (resid 36 and name HD11)
or (resid 76 and name HD1) (resid 36 and name HD13)
assign (resid 78 and name HD12) (resid 81 and name HH2) 3.109 1.208 2.708 weight 1.000 ! spec=HCH_ar, no=328, id=5135, vol=3.670000e+05
or (resid 78 and name HD11) (resid 81 and name HH2)
or (resid 78 and name HD13) (resid 81 and name HH2)
assign (resid 76 and name HD1) (resid 70 and name HB2) 3.206 1.285 2.785 weight 1.000 ! spec=HCH_ar, no=329, id=5136, vol=3.050000e+05
or (resid 76 and name HD1) (resid 70 and name HB1)
or (resid 76 and name HD1) (resid 70 and name HB3)
assign (resid 25 and name HN) (resid 81 and name HH2) 3.534 1.561 3.061 weight 1.000 ! spec=HCH_ar, no=332, id=5139, vol=1.700000e+05
assign (resid 81 and name HH2) (resid 24 and name HA) 3.054 1.166 2.666 weight 1.000 ! spec=HCH_ar, no=336, id=5143, vol=4.080000e+05
assign (resid 81 and name HH2) (resid 30 and name HD1) 3.071 1.179 2.679 weight 1.000 ! spec=HCH_ar, no=337, id=5144, vol=3.950000e+05
assign (resid 81 and name HH2) (resid 24 and name HB2) 2.834 1.004 2.504 weight 1.000 ! spec=HCH_ar, no=338, id=5145, vol=6.390000e+05
assign (resid 81 and name HH2) (resid 30 and name HG1) 3.233 1.307 2.807 weight 1.000 ! spec=HCH_ar, no=339, id=5146, vol=2.900000e+05
assign (resid 81 and name HE1) (resid 81 and name HH2) 3.534 1.561 3.061 weight 1.000 ! spec=HCH_ar, no=340, id=5147, vol=1.700000e+05
assign (resid 68 and name HD1) (resid 62 and name HB1) 3.451 1.489 2.989 weight 1.000 ! spec=HCH_ar, no=344, id=5151, vol=1.960000e+05
or (resid 68 and name HD2) (resid 62 and name HB1)
assign (resid 78 and name HD12) (resid 68 and name HD1) 3.312 1.371 2.871 weight 1.000 ! spec=HCH_ar, no=347, id=5154, vol=2.510000e+05
or (resid 78 and name HD12) (resid 68 and name HD2)
or (resid 78 and name HD11) (resid 68 and name HD1)
or (resid 78 and name HD11) (resid 68 and name HD2)
or (resid 78 and name HD13) (resid 68 and name HD1)
or (resid 78 and name HD13) (resid 68 and name HD2)
assign (resid 68 and name HB2) (resid 68 and name HD1) 2.425 0.735 2.235 weight 1.000 ! spec=HCH_ar, no=348, id=5155, vol=1.630000e+06
or (resid 68 and name HB2) (resid 68 and name HD2)
assign (resid 65 and name HB1) (resid 68 and name HD1) 2.690 0.905 2.405 weight 1.000 ! spec=HCH_ar, no=350, id=5157, vol=8.740000e+05
or (resid 65 and name HB1) (resid 68 and name HD2)
assign (resid 68 and name HD1) (resid 20 and name HA) 3.854 1.857 3.357 weight 1.000 ! spec=HCH_ar, no=351, id=5158, vol=1.010000e+05
or (resid 68 and name HD2) (resid 20 and name HA)
assign (resid 68 and name HD1) (resid 21 and name HA) 2.949 1.087 2.587 weight 1.000 ! spec=HCH_ar, no=352, id=5159, vol=5.030000e+05
or (resid 68 and name HD2) (resid 21 and name HA)
assign (resid 68 and name HD1) (resid 20 and name HB2) 3.083 1.188 2.688 weight 1.000 ! spec=HCH_ar, no=354, id=5161, vol=3.860000e+05
or (resid 68 and name HD1) (resid 20 and name HB1)
or (resid 68 and name HD1) (resid 20 and name HB3)
or (resid 68 and name HD2) (resid 20 and name HB2)
or (resid 68 and name HD2) (resid 20 and name HB1)
or (resid 68 and name HD2) (resid 20 and name HB3)
assign (resid 68 and name HD1) (resid 17 and name HG22) 2.605 0.848 2.348 weight 1.000 ! spec=HCH_ar, no=355, id=5162, vol=1.060000e+06
or (resid 68 and name HD1) (resid 17 and name HG21)
or (resid 68 and name HD1) (resid 17 and name HG23)
or (resid 68 and name HD1) (resid 17 and name HG12)
or (resid 68 and name HD1) (resid 17 and name HG11)
or (resid 68 and name HD1) (resid 17 and name HG13)
or (resid 68 and name HD2) (resid 17 and name HG22)
or (resid 68 and name HD2) (resid 17 and name HG21)
or (resid 68 and name HD2) (resid 17 and name HG23)
or (resid 68 and name HD2) (resid 17 and name HG12)
or (resid 68 and name HD2) (resid 17 and name HG11)
or (resid 68 and name HD2) (resid 17 and name HG13)
assign (resid 68 and name HD1) (resid 17 and name HB) 3.420 1.462 2.962 weight 1.000 ! spec=HCH_ar, no=357, id=5164, vol=2.070000e+05
or (resid 68 and name HD2) (resid 17 and name HB)
assign (resid 78 and name HA) (resid 68 and name HD1) 2.812 0.988 2.488 weight 1.000 ! spec=HCH_ar, no=358, id=5165, vol=6.700000e+05
or (resid 78 and name HA) (resid 68 and name HD2)
assign (resid 67 and name HN) (resid 68 and name HD1) 2.945 1.084 2.584 weight 1.000 ! spec=HCH_ar, no=359, id=5166, vol=5.080000e+05
or (resid 67 and name HN) (resid 68 and name HD2)
assign (resid 68 and name HD1) (resid 77 and name HN) 3.272 1.338 2.838 weight 1.000 ! spec=HCH_ar, no=361, id=5168, vol=2.700000e+05
or (resid 68 and name HD2) (resid 77 and name HN)
assign (resid 68 and name HA) (resid 68 and name HD1) 2.597 0.843 2.343 weight 1.000 ! spec=HCH_ar, no=364, id=5170, vol=1.080000e+06
or (resid 68 and name HA) (resid 68 and name HD2)
assign (resid 76 and name HE3) (resid 62 and name HB2) 3.589 1.610 3.11 weight 1.000 ! spec=HCH_ar, no=372, id=5171, vol=1.550000e+05
assign (resid 68 and name HB2) (resid 76 and name HE3) 2.848 1.014 2.514 weight 1.000 ! spec=HCH_ar, no=375, id=5174, vol=6.200000e+05
assign (resid 76 and name HB2) (resid 76 and name HE3) 2.487 0.773 2.273 weight 1.000 ! spec=HCH_ar, no=376, id=5175, vol=1.400000e+06
or (resid 76 and name HB1) (resid 76 and name HE3)
assign (resid 76 and name HE3) (resid 70 and name HN) 3.305 1.366 2.866 weight 1.000 ! spec=HCH_ar, no=377, id=5176, vol=2.540000e+05
assign (resid 76 and name HE3) (resid 77 and name HN) 2.983 1.112 2.612 weight 1.000 ! spec=HCH_ar, no=378, id=5177, vol=4.700000e+05
assign (resid 69 and name HN) (resid 76 and name HE3) 2.963 1.098 2.598 weight 1.000 ! spec=HCH_ar, no=379, id=5178, vol=4.890000e+05
assign (resid 76 and name HZ3) (resid 76 and name HE3) 2.470 0.762 2.262 weight 1.000 ! spec=HCH_ar, no=380, id=5179, vol=1.460000e+06
assign (resid 76 and name HE3) (resid 69 and name HB1) 3.478 1.512 3.012 weight 1.000 ! spec=HCH_ar, no=382, id=5180, vol=1.870000e+05
assign (resid 76 and name HA) (resid 76 and name HE3) 2.958 1.094 2.594 weight 1.000 ! spec=HCH_ar, no=385, id=5182, vol=4.940000e+05
assign (resid 20 and name HB2) (resid 24 and name HD1) 3.274 1.340 2.84 weight 1.000 ! spec=HCH_ar, no=387, id=5184, vol=2.690000e+05
or (resid 20 and name HB2) (resid 24 and name HD2)
or (resid 20 and name HB1) (resid 24 and name HD1)
or (resid 20 and name HB1) (resid 24 and name HD2)
or (resid 20 and name HB3) (resid 24 and name HD1)
or (resid 20 and name HB3) (resid 24 and name HD2)
assign (resid 21 and name HB1) (resid 24 and name HD1) 3.174 1.259 2.759 weight 1.000 ! spec=HCH_ar, no=388, id=5185, vol=3.240000e+05
or (resid 21 and name HB1) (resid 24 and name HD2)
assign (resid 24 and name HD1) (resid 23 and name HD22) 2.994 1.120 2.62 weight 1.000 ! spec=HCH_ar, no=394, id=5191, vol=4.600000e+05
or (resid 24 and name HD1) (resid 23 and name HD21)
or (resid 24 and name HD1) (resid 23 and name HD23)
or (resid 24 and name HD2) (resid 23 and name HD22)
or (resid 24 and name HD2) (resid 23 and name HD21)
or (resid 24 and name HD2) (resid 23 and name HD23)
assign (resid 68 and name HZ) (resid 23 and name HB2) 3.440 1.479 2.979 weight 1.000 ! spec=HCH_ar, no=399, id=5196, vol=2.000000e+05
assign (resid 24 and name HN) (resid 68 and name HZ) 3.133 1.227 2.727 weight 1.000 ! spec=HCH_ar, no=401, id=5198, vol=3.500000e+05
assign (resid 68 and name HZ) (resid 23 and name HD22) 2.597 0.843 2.343 weight 1.000 ! spec=HCH_ar, no=407, id=5204, vol=1.080000e+06
or (resid 68 and name HZ) (resid 23 and name HD21)
or (resid 68 and name HZ) (resid 23 and name HD23)
assign (resid 21 and name HA) (resid 68 and name HZ) 2.915 1.062 2.562 weight 1.000 ! spec=HCH_ar, no=408, id=5205, vol=5.400000e+05
assign (resid 21 and name HB1) (resid 68 and name HZ) 3.119 1.216 2.716 weight 1.000 ! spec=HCH_ar, no=411, id=5208, vol=3.600000e+05
assign (resid 68 and name HZ) (resid 24 and name HB1) 3.026 1.145 2.645 weight 1.000 ! spec=HCH_ar, no=413, id=5210, vol=4.310000e+05
assign (resid 81 and name HZ2) (resid 81 and name HZ3) 3.222 1.298 2.798 weight 1.000 ! spec=HCH_ar, no=422, id=5217, vol=2.960000e+05
assign (resid 81 and name HD1) (resid 81 and name HZ2) 3.637 1.654 3.154 weight 1.000 ! spec=HCH_ar, no=423, id=5218, vol=1.430000e+05
assign (resid 81 and name HZ2) (resid 25 and name HN) 3.368 1.418 2.918 weight 1.000 ! spec=HCH_ar, no=424, id=5219, vol=2.270000e+05
assign (resid 81 and name HZ2) (resid 24 and name HN) 3.466 1.502 3.002 weight 1.000 ! spec=HCH_ar, no=425, id=5220, vol=1.910000e+05
assign (resid 28 and name HN) (resid 81 and name HZ2) 3.159 1.248 2.748 weight 1.000 ! spec=HCH_ar, no=426, id=5221, vol=3.330000e+05
assign (resid 81 and name HZ2) (resid 24 and name HA) 3.083 1.188 2.688 weight 1.000 ! spec=HCH_ar, no=427, id=5222, vol=3.860000e+05
assign (resid 25 and name HA) (resid 81 and name HZ2) 3.093 1.196 2.696 weight 1.000 ! spec=HCH_ar, no=428, id=5223, vol=3.780000e+05
assign (resid 81 and name HZ2) (resid 78 and name HD22) 3.199 1.279 2.779 weight 1.000 ! spec=HCH_ar, no=430, id=5225, vol=3.090000e+05
or (resid 81 and name HZ2) (resid 78 and name HD21)
or (resid 81 and name HZ2) (resid 78 and name HD23)
assign (resid 28 and name HG2) (resid 81 and name HZ2) 3.197 1.278 2.778 weight 1.000 ! spec=HCH_ar, no=432, id=5227, vol=3.100000e+05
or (resid 28 and name HG1) (resid 81 and name HZ2)
assign (resid 81 and name HZ2) (resid 25 and name HB2) 3.365 1.416 2.916 weight 1.000 ! spec=HCH_ar, no=434, id=5228, vol=2.280000e+05
or (resid 81 and name HZ2) (resid 25 and name HB1)
assign (resid 24 and name HB2) (resid 81 and name HZ2) 2.962 1.097 2.597 weight 1.000 ! spec=HCH_ar, no=437, id=5231, vol=4.900000e+05
assign (resid 81 and name HZ2) (resid 81 and name HE1) 2.683 0.900 2.4 weight 1.000 ! spec=HCH_ar, no=438, id=5232, vol=8.880000e+05
assign (resid 81 and name HB2) (resid 81 and name HE3) 3.368 1.418 2.918 weight 1.000 ! spec=HCH_ar, no=440, id=5234, vol=2.270000e+05
assign (resid 30 and name HG2) (resid 81 and name HE3) 3.777 1.784 3.284 weight 1.000 ! spec=HCH_ar, no=441, id=5235, vol=1.140000e+05
assign (resid 81 and name HZ3) (resid 81 and name HE3) 2.696 0.909 2.409 weight 1.000 ! spec=HCH_ar, no=443, id=5236, vol=8.620000e+05
assign (resid 81 and name HE3) (resid 77 and name HA2) 3.520 1.549 3.049 weight 1.000 ! spec=HCH_ar, no=445, id=5238, vol=1.740000e+05
assign (resid 81 and name HE3) (resid 30 and name HD1) 3.559 1.583 3.083 weight 1.000 ! spec=HCH_ar, no=446, id=5239, vol=1.630000e+05
assign (resid 82 and name HE1) (resid 82 and name HD1) 1.692 0.358 1.858 weight 1.000 ! spec=HCH_ar, no=466, id=5240, vol=1.410000e+07
or (resid 82 and name HE1) (resid 82 and name HD2)
or (resid 82 and name HE2) (resid 82 and name HD1)
or (resid 82 and name HE2) (resid 82 and name HD2)
assign (resid 34 and name HN) (resid 37 and name HB1) 3.862 1.864 3.364 weight 1.000 ! spec=HNH, no=4, id=3, vol=4.580000e+05
assign (resid 34 and name HN) (resid 37 and name HB2) 3.797 1.802 3.302 weight 1.000 ! spec=HNH, no=5, id=4, vol=5.070000e+05
assign (resid 34 and name HN) (resid 36 and name HB2) 4.131 2.133 3.633 weight 1.000 ! spec=HNH, no=6, id=5, vol=3.060000e+05
assign (resid 34 and name HN) (resid 35 and name HG1) 3.615 1.634 3.134 weight 1.000 ! spec=HNH, no=7, id=6, vol=6.810000e+05
assign (resid 34 and name HN) (resid 33 and name HB2) 3.217 1.294 2.794 weight 1.000 ! spec=HNH, no=11, id=10, vol=1.370000e+06
assign (resid 34 and name HN) (resid 32 and name HD1) 3.684 1.696 3.196 weight 1.000 ! spec=HNH, no=13, id=12, vol=6.080000e+05
assign (resid 34 and name HN) (resid 32 and name HA) 3.582 1.604 3.104 weight 1.000 ! spec=HNH, no=16, id=15, vol=7.190000e+05
assign (resid 34 and name HN) (resid 59 and name HE1) 4.264 2.272 3.772 weight 1.000 ! spec=HNH, no=17, id=16, vol=2.530000e+05
or (resid 34 and name HN) (resid 59 and name HE2)
assign (resid 34 and name HN) (resid 35 and name HN) 2.773 0.961 2.461 weight 1.000 ! spec=HNH, no=18, id=17, vol=3.340000e+06
assign (resid 34 and name HN) (resid 33 and name HD1) 3.308 1.368 2.868 weight 1.000 ! spec=HNH, no=19, id=18, vol=1.160000e+06
or (resid 34 and name HN) (resid 33 and name HD2)
assign (resid 34 and name HN) (resid 37 and name HN) 4.002 2.002 3.502 weight 1.000 ! spec=HNH, no=23, id=22, vol=3.700000e+05
assign (resid 34 and name HN) (resid 33 and name HN) 2.989 1.117 2.617 weight 1.000 ! spec=HNH, no=25, id=23, vol=2.130000e+06
assign (resid 33 and name HN) (resid 35 and name HN) 3.740 1.749 3.249 weight 1.000 ! spec=HNH, no=32, id=28, vol=5.550000e+05
assign (resid 33 and name HN) (resid 75 and name HA) 3.502 1.533 3.033 weight 1.000 ! spec=HNH, no=36, id=32, vol=8.240000e+05
assign (resid 33 and name HN) (resid 75 and name HB) 3.982 1.982 3.482 weight 1.000 ! spec=HNH, no=39, id=35, vol=3.810000e+05
assign (resid 33 and name HN) (resid 34 and name HA) 3.845 1.848 3.348 weight 1.000 ! spec=HNH, no=40, id=36, vol=4.700000e+05
assign (resid 33 and name HN) (resid 34 and name HG1) 4.073 2.073 3.573 weight 1.000 ! spec=HNH, no=44, id=40, vol=3.330000e+05
assign (resid 33 and name HN) (resid 74 and name HB2) 3.802 1.807 3.307 weight 1.000 ! spec=HNH, no=45, id=41, vol=5.030000e+05
or (resid 33 and name HN) (resid 74 and name HB1)
assign (resid 33 and name HN) (resid 31 and name HB) 3.772 1.778 3.278 weight 1.000 ! spec=HNH, no=48, id=44, vol=5.280000e+05
assign (resid 33 and name HN) (resid 36 and name HD22) 3.969 1.969 3.469 weight 1.000 ! spec=HNH, no=50, id=46, vol=3.890000e+05
or (resid 33 and name HN) (resid 36 and name HD21)
or (resid 33 and name HN) (resid 36 and name HD23)
or (resid 33 and name HN) (resid 36 and name HD12)
or (resid 33 and name HN) (resid 36 and name HD11)
or (resid 33 and name HN) (resid 36 and name HD13)
assign (resid 76 and name HE1) (resid 76 and name HE3) 4.104 2.106 3.606 weight 1.000 ! spec=HNH, no=56, id=51, vol=3.180000e+05
assign (resid 76 and name HE1) (resid 33 and name HD1) 3.122 1.219 2.719 weight 1.000 ! spec=HNH, no=59, id=54, vol=1.640000e+06
or (resid 76 and name HE1) (resid 33 and name HD2)
assign (resid 76 and name HE1) (resid 33 and name HE1) 3.271 1.338 2.838 weight 1.000 ! spec=HNH, no=60, id=55, vol=1.240000e+06
or (resid 76 and name HE1) (resid 33 and name HE2)
assign (resid 76 and name HE1) (resid 63 and name HD22) 4.500 2.531 4.031 weight 1.000 ! spec=HNH, no=63, id=58, vol=1.830000e+05
assign (resid 76 and name HE1) (resid 32 and name HA) 4.335 2.349 3.849 weight 1.000 ! spec=HNH, no=64, id=59, vol=2.290000e+05
assign (resid 76 and name HE1) (resid 76 and name HA) 4.215 2.221 3.721 weight 1.000 ! spec=HNH, no=65, id=60, vol=2.710000e+05
assign (resid 76 and name HE1) (resid 75 and name HA) 3.879 1.881 3.381 weight 1.000 ! spec=HNH, no=68, id=63, vol=4.460000e+05
assign (resid 76 and name HE1) (resid 33 and name HB2) 2.985 1.114 2.614 weight 1.000 ! spec=HNH, no=71, id=66, vol=2.150000e+06
assign (resid 76 and name HE1) (resid 33 and name HB1) 3.107 1.207 2.707 weight 1.000 ! spec=HNH, no=73, id=68, vol=1.690000e+06
assign (resid 76 and name HE1) (resid 74 and name HB2) 3.921 1.922 3.422 weight 1.000 ! spec=HNH, no=74, id=69, vol=4.180000e+05
or (resid 76 and name HE1) (resid 74 and name HB1)
assign (resid 76 and name HE1) (resid 74 and name HG2) 4.124 2.126 3.626 weight 1.000 ! spec=HNH, no=75, id=70, vol=3.090000e+05
or (resid 76 and name HE1) (resid 74 and name HG1)
assign (resid 76 and name HE1) (resid 36 and name HD22) 3.848 1.851 3.351 weight 1.000 ! spec=HNH, no=76, id=71, vol=4.680000e+05
or (resid 76 and name HE1) (resid 36 and name HD21)
or (resid 76 and name HE1) (resid 36 and name HD23)
or (resid 76 and name HE1) (resid 36 and name HD12)
or (resid 76 and name HE1) (resid 36 and name HD11)
or (resid 76 and name HE1) (resid 36 and name HD13)
assign (resid 76 and name HE1) (resid 33 and name HN) 3.233 1.307 2.807 weight 1.000 ! spec=HNH, no=81, id=75, vol=1.330000e+06
assign (resid 76 and name HE1) (resid 75 and name HG21) 4.011 2.011 3.511 weight 1.000 ! spec=HNH, no=82, id=76, vol=3.650000e+05
or (resid 76 and name HE1) (resid 75 and name HG22)
or (resid 76 and name HE1) (resid 75 and name HG23)
assign (resid 38 and name HD22) (resid 34 and name HE21) 2.645 0.874 2.374 weight 1.000 ! spec=HNH, no=105, id=77, vol=4.440000e+06
assign (resid 38 and name HD21) (resid 35 and name HA) 3.023 1.143 2.643 weight 1.000 ! spec=HNH, no=129, id=84, vol=1.990000e+06
assign (resid 38 and name HD21) (resid 35 and name HG1) 3.655 1.669 3.169 weight 1.000 ! spec=HNH, no=136, id=91, vol=6.380000e+05
assign (resid 38 and name HD21) (resid 35 and name HB2) 3.535 1.562 3.062 weight 1.000 ! spec=HNH, no=137, id=92, vol=7.790000e+05
or (resid 38 and name HD21) (resid 35 and name HB1)
assign (resid 38 and name HD22) (resid 39 and name HN) 3.901 1.903 3.403 weight 1.000 ! spec=HNH, no=140, id=94, vol=4.310000e+05
assign (resid 38 and name HD21) (resid 38 and name HD22) 1.886 0.445 1.945 weight 1.000 ! spec=HNH, no=141, id=95, vol=3.380000e+07
assign (resid 38 and name HD22) (resid 35 and name HA) 3.107 1.207 2.707 weight 1.000 ! spec=HNH, no=144, id=97, vol=1.690000e+06
assign (resid 34 and name HE22) (resid 34 and name HG2) 2.835 1.004 2.504 weight 1.000 ! spec=HNH, no=147, id=100, vol=2.930000e+06
assign (resid 34 and name HE22) (resid 34 and name HG1) 3.217 1.294 2.794 weight 1.000 ! spec=HNH, no=148, id=101, vol=1.370000e+06
assign (resid 38 and name HD22) (resid 35 and name HG1) 3.937 1.938 3.438 weight 1.000 ! spec=HNH, no=149, id=102, vol=4.080000e+05
assign (resid 38 and name HD22) (resid 35 and name HB2) 3.419 1.461 2.961 weight 1.000 ! spec=HNH, no=150, id=103, vol=9.510000e+05
or (resid 38 and name HD22) (resid 35 and name HB1)
assign (resid 34 and name HE22) (resid 48 and name HG2) 4.158 2.161 3.661 weight 1.000 ! spec=HNH, no=151, id=104, vol=2.940000e+05
or (resid 34 and name HE22) (resid 48 and name HG1)
assign (resid 34 and name HE22) (resid 55 and name HG22) 4.087 2.088 3.588 weight 1.000 ! spec=HNH, no=153, id=106, vol=3.260000e+05
or (resid 34 and name HE22) (resid 55 and name HG21)
or (resid 34 and name HE22) (resid 55 and name HG23)
assign (resid 34 and name HE22) (resid 37 and name HD22) 3.122 1.219 2.719 weight 1.000 ! spec=HNH, no=155, id=108, vol=1.640000e+06
or (resid 34 and name HE22) (resid 37 and name HD21)
or (resid 34 and name HE22) (resid 37 and name HD23)
or (resid 34 and name HE22) (resid 37 and name HD12)
or (resid 34 and name HE22) (resid 37 and name HD11)
or (resid 34 and name HE22) (resid 37 and name HD13)
assign (resid 28 and name HN) (resid 27 and name HN) 2.783 0.968 2.468 weight 1.000 ! spec=HNH, no=160, id=112, vol=3.270000e+06
assign (resid 17 and name HN) (resid 19 and name HN) 3.358 1.410 2.91 weight 1.000 ! spec=HNH, no=161, id=113, vol=1.060000e+06
assign (resid 17 and name HN) (resid 58 and name HA) 3.894 1.895 3.395 weight 1.000 ! spec=HNH, no=163, id=115, vol=4.360000e+05
assign (resid 28 and name HN) (resid 25 and name HA) 4.018 2.018 3.518 weight 1.000 ! spec=HNH, no=164, id=116, vol=3.610000e+05
assign (resid 17 and name HN) (resid 61 and name HB2) 3.989 1.989 3.489 weight 1.000 ! spec=HNH, no=169, id=121, vol=3.770000e+05
assign (resid 28 and name HN) (resid 28 and name HD2) 3.162 1.250 2.75 weight 1.000 ! spec=HNH, no=173, id=125, vol=1.520000e+06
assign (resid 17 and name HN) (resid 16 and name HB2) 3.107 1.207 2.707 weight 1.000 ! spec=HNH, no=175, id=127, vol=1.690000e+06
assign (resid 17 and name HN) (resid 17 and name HG22) 2.391 0.715 2.215 weight 1.000 ! spec=HNH, no=176, id=128, vol=8.130000e+06
or (resid 17 and name HN) (resid 17 and name HG21)
or (resid 17 and name HN) (resid 17 and name HG23)
or (resid 17 and name HN) (resid 17 and name HG12)
or (resid 17 and name HN) (resid 17 and name HG11)
or (resid 17 and name HN) (resid 17 and name HG13)
assign (resid 17 and name HN) (resid 16 and name HB1) 3.198 1.279 2.779 weight 1.000 ! spec=HNH, no=178, id=130, vol=1.420000e+06
assign (resid 17 and name HN) (resid 62 and name HD22) 3.931 1.931 3.431 weight 1.000 ! spec=HNH, no=179, id=131, vol=4.120000e+05
or (resid 17 and name HN) (resid 62 and name HD21)
or (resid 17 and name HN) (resid 62 and name HD23)
assign (resid 52 and name HN) (resid 53 and name HN) 3.348 1.401 2.901 weight 1.000 ! spec=HNH, no=181, id=133, vol=1.080000e+06
assign (resid 52 and name HN) (resid 50 and name HG2) 3.395 1.441 2.941 weight 1.000 ! spec=HNH, no=189, id=140, vol=9.930000e+05
assign (resid 52 and name HN) (resid 55 and name HG12) 3.464 1.500 3 weight 1.000 ! spec=HNH, no=192, id=143, vol=8.800000e+05
assign (resid 52 and name HN) (resid 51 and name HG) 3.380 1.428 2.928 weight 1.000 ! spec=HNH, no=193, id=144, vol=1.020000e+06
assign (resid 52 and name HN) (resid 51 and name HB1) 3.233 1.307 2.807 weight 1.000 ! spec=HNH, no=194, id=145, vol=1.330000e+06
assign (resid 52 and name HN) (resid 55 and name HD12) 2.858 1.021 2.521 weight 1.000 ! spec=HNH, no=195, id=146, vol=2.790000e+06
or (resid 52 and name HN) (resid 55 and name HD11)
or (resid 52 and name HN) (resid 55 and name HD13)
assign (resid 52 and name HN) (resid 51 and name HD22) 3.016 1.137 2.637 weight 1.000 ! spec=HNH, no=196, id=147, vol=2.020000e+06
or (resid 52 and name HN) (resid 51 and name HD21)
or (resid 52 and name HN) (resid 51 and name HD23)
or (resid 52 and name HN) (resid 51 and name HD12)
or (resid 52 and name HN) (resid 51 and name HD11)
or (resid 52 and name HN) (resid 51 and name HD13)
assign (resid 45 and name HN) (resid 46 and name HN) 2.560 0.819 2.319 weight 1.000 ! spec=HNH, no=217, id=148, vol=5.400000e+06
assign (resid 45 and name HN) (resid 47 and name HN) 4.264 2.272 3.772 weight 1.000 ! spec=HNH, no=218, id=149, vol=2.530000e+05
assign (resid 45 and name HN) (resid 46 and name HA) 4.244 2.252 3.752 weight 1.000 ! spec=HNH, no=222, id=151, vol=2.600000e+05
assign (resid 45 and name HN) (resid 42 and name HA) 3.369 1.419 2.919 weight 1.000 ! spec=HNH, no=223, id=152, vol=1.040000e+06
assign (resid 45 and name HN) (resid 44 and name HA) 3.049 1.162 2.662 weight 1.000 ! spec=HNH, no=224, id=153, vol=1.890000e+06
assign (resid 45 and name HN) (resid 46 and name HB) 4.231 2.238 3.738 weight 1.000 ! spec=HNH, no=228, id=157, vol=2.650000e+05
assign (resid 45 and name HN) (resid 10 and name HB1) 3.847 1.850 3.35 weight 1.000 ! spec=HNH, no=229, id=158, vol=4.690000e+05
assign (resid 45 and name HN) (resid 44 and name HB2) 3.258 1.327 2.827 weight 1.000 ! spec=HNH, no=230, id=159, vol=1.270000e+06
assign (resid 45 and name HN) (resid 44 and name HB1) 3.408 1.452 2.952 weight 1.000 ! spec=HNH, no=231, id=160, vol=9.700000e+05
assign (resid 45 and name HN) (resid 41 and name HB2) 3.831 1.834 3.334 weight 1.000 ! spec=HNH, no=232, id=161, vol=4.810000e+05
or (resid 45 and name HN) (resid 41 and name HB1)
or (resid 45 and name HN) (resid 41 and name HB3)
assign (resid 45 and name HN) (resid 11 and name HD12) 3.797 1.802 3.302 weight 1.000 ! spec=HNH, no=233, id=162, vol=5.070000e+05
or (resid 45 and name HN) (resid 11 and name HD11)
or (resid 45 and name HN) (resid 11 and name HD13)
assign (resid 45 and name HN) (resid 44 and name HD22) 3.092 1.195 2.695 weight 1.000 ! spec=HNH, no=234, id=163, vol=1.740000e+06
or (resid 45 and name HN) (resid 44 and name HD21)
or (resid 45 and name HN) (resid 44 and name HD23)
or (resid 45 and name HN) (resid 44 and name HD12)
or (resid 45 and name HN) (resid 44 and name HD11)
or (resid 45 and name HN) (resid 44 and name HD13)
assign (resid 45 and name HN) (resid 46 and name HG12) 3.433 1.473 2.973 weight 1.000 ! spec=HNH, no=235, id=164, vol=9.290000e+05
or (resid 45 and name HN) (resid 46 and name HG11)
or (resid 45 and name HN) (resid 46 and name HG13)
assign (resid 81 and name HE1) (resid 81 and name HE3) 3.997 1.997 3.497 weight 1.000 ! spec=HNH, no=258, id=165, vol=3.730000e+05
assign (resid 75 and name HN) (resid 76 and name HN) 3.657 1.672 3.172 weight 1.000 ! spec=HNH, no=281, id=169, vol=6.350000e+05
assign (resid 75 and name HN) (resid 32 and name HA) 3.613 1.632 3.132 weight 1.000 ! spec=HNH, no=283, id=170, vol=6.830000e+05
assign (resid 75 and name HN) (resid 75 and name HA) 3.289 1.352 2.852 weight 1.000 ! spec=HNH, no=285, id=172, vol=1.200000e+06
assign (resid 75 and name HN) (resid 73 and name HA) 3.928 1.928 3.428 weight 1.000 ! spec=HNH, no=286, id=173, vol=4.140000e+05
assign (resid 75 and name HN) (resid 71 and name HA) 4.115 2.117 3.617 weight 1.000 ! spec=HNH, no=291, id=178, vol=3.130000e+05
assign (resid 75 and name HN) (resid 74 and name HB2) 3.358 1.410 2.91 weight 1.000 ! spec=HNH, no=293, id=180, vol=1.060000e+06
or (resid 75 and name HN) (resid 74 and name HB1)
assign (resid 75 and name HN) (resid 71 and name HB2) 3.714 1.724 3.224 weight 1.000 ! spec=HNH, no=295, id=182, vol=5.790000e+05
assign (resid 75 and name HN) (resid 71 and name HB1) 3.836 1.839 3.339 weight 1.000 ! spec=HNH, no=296, id=183, vol=4.770000e+05
assign (resid 75 and name HN) (resid 70 and name HB2) 4.091 2.093 3.593 weight 1.000 ! spec=HNH, no=300, id=187, vol=3.240000e+05
or (resid 75 and name HN) (resid 70 and name HB1)
or (resid 75 and name HN) (resid 70 and name HB3)
assign (resid 75 and name HN) (resid 71 and name HD22) 3.982 1.982 3.482 weight 1.000 ! spec=HNH, no=301, id=188, vol=3.810000e+05
or (resid 75 and name HN) (resid 71 and name HD21)
or (resid 75 and name HN) (resid 71 and name HD23)
assign (resid 74 and name HN) (resid 74 and name HE21) 3.931 1.931 3.431 weight 1.000 ! spec=HNH, no=307, id=193, vol=4.120000e+05
assign (resid 74 and name HN) (resid 73 and name HA) 3.083 1.188 2.688 weight 1.000 ! spec=HNH, no=314, id=200, vol=1.770000e+06
assign (resid 74 and name HN) (resid 74 and name HB2) 2.911 1.059 2.559 weight 1.000 ! spec=HNH, no=320, id=206, vol=2.500000e+06
or (resid 74 and name HN) (resid 74 and name HB1)
assign (resid 74 and name HN) (resid 70 and name HB2) 4.484 2.513 4.013 weight 1.000 ! spec=HNH, no=323, id=209, vol=1.870000e+05
or (resid 74 and name HN) (resid 70 and name HB1)
or (resid 74 and name HN) (resid 70 and name HB3)
assign (resid 80 and name HN) (resid 82 and name HN) 3.518 1.547 3.047 weight 1.000 ! spec=HNH, no=326, id=211, vol=8.020000e+05
assign (resid 80 and name HN) (resid 81 and name HN) 2.848 1.014 2.514 weight 1.000 ! spec=HNH, no=327, id=212, vol=2.850000e+06
assign (resid 80 and name HN) (resid 81 and name HD1) 4.416 2.437 3.937 weight 1.000 ! spec=HNH, no=329, id=214, vol=2.050000e+05
assign (resid 80 and name HN) (resid 68 and name HA) 4.049 2.049 3.549 weight 1.000 ! spec=HNH, no=330, id=215, vol=3.450000e+05
assign (resid 80 and name HN) (resid 78 and name HA) 3.459 1.495 2.995 weight 1.000 ! spec=HNH, no=333, id=218, vol=8.880000e+05
assign (resid 80 and name HN) (resid 79 and name HG2) 3.169 1.256 2.756 weight 1.000 ! spec=HNH, no=338, id=223, vol=1.500000e+06
assign (resid 80 and name HN) (resid 79 and name HB1) 3.210 1.288 2.788 weight 1.000 ! spec=HNH, no=339, id=224, vol=1.390000e+06
assign (resid 80 and name HN) (resid 78 and name HB2) 3.149 1.239 2.739 weight 1.000 ! spec=HNH, no=341, id=226, vol=1.560000e+06
assign (resid 80 and name HN) (resid 78 and name HD12) 3.337 1.392 2.892 weight 1.000 ! spec=HNH, no=342, id=227, vol=1.100000e+06
or (resid 80 and name HN) (resid 78 and name HD11)
or (resid 80 and name HN) (resid 78 and name HD13)
assign (resid 80 and name HN) (resid 78 and name HD22) 3.263 1.331 2.831 weight 1.000 ! spec=HNH, no=344, id=229, vol=1.260000e+06
or (resid 80 and name HN) (resid 78 and name HD21)
or (resid 80 and name HN) (resid 78 and name HD23)
assign (resid 42 and name HN) (resid 40 and name HN) 3.313 1.372 2.872 weight 1.000 ! spec=HNH, no=348, id=233, vol=1.150000e+06
assign (resid 42 and name HN) (resid 39 and name HN) 3.841 1.845 3.345 weight 1.000 ! spec=HNH, no=349, id=234, vol=4.730000e+05
assign (resid 42 and name HN) (resid 43 and name HN) 2.315 0.670 2.17 weight 1.000 ! spec=HNH, no=350, id=235, vol=9.880000e+06
assign (resid 42 and name HN) (resid 42 and name HA) 2.538 0.805 2.305 weight 1.000 ! spec=HNH, no=354, id=238, vol=5.690000e+06
assign (resid 42 and name HN) (resid 41 and name HA) 3.169 1.256 2.756 weight 1.000 ! spec=HNH, no=356, id=240, vol=1.500000e+06
assign (resid 42 and name HN) (resid 48 and name HE2) 4.104 2.106 3.606 weight 1.000 ! spec=HNH, no=358, id=242, vol=3.180000e+05
or (resid 42 and name HN) (resid 48 and name HE1)
assign (resid 42 and name HN) (resid 43 and name HB2) 3.322 1.380 2.88 weight 1.000 ! spec=HNH, no=362, id=246, vol=1.130000e+06
assign (resid 42 and name HN) (resid 40 and name HB) 3.455 1.492 2.992 weight 1.000 ! spec=HNH, no=364, id=248, vol=8.930000e+05
assign (resid 42 and name HN) (resid 40 and name HD12) 4.215 2.221 3.721 weight 1.000 ! spec=HNH, no=369, id=253, vol=2.710000e+05
or (resid 42 and name HN) (resid 40 and name HD11)
or (resid 42 and name HN) (resid 40 and name HD13)
assign (resid 46 and name HN) (resid 47 and name HN) 3.358 1.410 2.91 weight 1.000 ! spec=HNH, no=370, id=254, vol=1.060000e+06
assign (resid 46 and name HN) (resid 42 and name HA) 3.526 1.554 3.054 weight 1.000 ! spec=HNH, no=372, id=255, vol=7.910000e+05
assign (resid 46 and name HN) (resid 44 and name HA) 3.546 1.572 3.072 weight 1.000 ! spec=HNH, no=373, id=256, vol=7.640000e+05
assign (resid 46 and name HN) (resid 41 and name HA) 3.060 1.171 2.671 weight 1.000 ! spec=HNH, no=376, id=259, vol=1.850000e+06
assign (resid 46 and name HN) (resid 46 and name HB) 3.104 1.204 2.704 weight 1.000 ! spec=HNH, no=377, id=260, vol=1.700000e+06
assign (resid 46 and name HN) (resid 44 and name HG) 3.159 1.247 2.747 weight 1.000 ! spec=HNH, no=378, id=261, vol=1.530000e+06
assign (resid 46 and name HN) (resid 44 and name HB1) 3.195 1.276 2.776 weight 1.000 ! spec=HNH, no=379, id=262, vol=1.430000e+06
assign (resid 34 and name HE21) (resid 34 and name HN) 3.828 1.832 3.332 weight 1.000 ! spec=HNH, no=384, id=267, vol=4.830000e+05
assign (resid 34 and name HE21) (resid 38 and name HB2) 3.611 1.630 3.13 weight 1.000 ! spec=HNH, no=388, id=271, vol=6.850000e+05
assign (resid 34 and name HE21) (resid 34 and name HB2) 3.353 1.405 2.905 weight 1.000 ! spec=HNH, no=390, id=273, vol=1.070000e+06
or (resid 34 and name HE21) (resid 34 and name HB1)
assign (resid 86 and name HE21) (resid 86 and name HB2) 3.747 1.755 3.255 weight 1.000 ! spec=HNH, no=394, id=277, vol=5.490000e+05
assign (resid 86 and name HE21) (resid 86 and name HB1) 3.845 1.848 3.348 weight 1.000 ! spec=HNH, no=395, id=278, vol=4.700000e+05
assign (resid 74 and name HE21) (resid 73 and name HA) 3.659 1.674 3.174 weight 1.000 ! spec=HNH, no=401, id=283, vol=6.330000e+05
assign (resid 74 and name HE21) (resid 74 and name HG2) 2.619 0.857 2.357 weight 1.000 ! spec=HNH, no=406, id=287, vol=4.710000e+06
or (resid 74 and name HE21) (resid 74 and name HG1)
assign (resid 5 and name HE21) (resid 6 and name HD1) 3.221 1.297 2.797 weight 1.000 ! spec=HNH, no=416, id=290, vol=1.360000e+06
or (resid 5 and name HE21) (resid 6 and name HD2)
assign (resid 5 and name HE21) (resid 5 and name HE22) 1.581 0.313 1.813 weight 1.000 ! spec=HNH, no=419, id=293, vol=9.720000e+07
assign (resid 5 and name HE21) (resid 5 and name HG2) 2.873 1.032 2.532 weight 1.000 ! spec=HNH, no=421, id=295, vol=2.700000e+06
assign (resid 5 and name HE21) (resid 5 and name HG1) 2.708 0.917 2.417 weight 1.000 ! spec=HNH, no=422, id=296, vol=3.850000e+06
assign (resid 5 and name HE21) (resid 5 and name HB2) 3.405 1.449 2.949 weight 1.000 ! spec=HNH, no=423, id=297, vol=9.750000e+05
or (resid 5 and name HE21) (resid 5 and name HB1)
assign (resid 5 and name HE21) (resid 4 and name HB1) 3.928 1.928 3.428 weight 1.000 ! spec=HNH, no=424, id=298, vol=4.140000e+05
assign (resid 63 and name HD21) (resid 63 and name HA) 3.588 1.609 3.109 weight 1.000 ! spec=HNH, no=430, id=302, vol=7.120000e+05
assign (resid 63 and name HD21) (resid 60 and name HA) 3.554 1.579 3.079 weight 1.000 ! spec=HNH, no=431, id=303, vol=7.540000e+05
assign (resid 63 and name HD21) (resid 63 and name HB2) 3.058 1.169 2.669 weight 1.000 ! spec=HNH, no=433, id=305, vol=1.860000e+06
assign (resid 63 and name HD21) (resid 59 and name HA) 4.115 2.117 3.617 weight 1.000 ! spec=HNH, no=434, id=306, vol=3.130000e+05
assign (resid 63 and name HD21) (resid 63 and name HB1) 3.166 1.253 2.753 weight 1.000 ! spec=HNH, no=435, id=307, vol=1.510000e+06
assign (resid 63 and name HD21) (resid 64 and name HG22) 4.135 2.137 3.637 weight 1.000 ! spec=HNH, no=437, id=309, vol=3.040000e+05
or (resid 63 and name HD21) (resid 64 and name HG21)
or (resid 63 and name HD21) (resid 64 and name HG23)
assign (resid 63 and name HD21) (resid 62 and name HB2) 3.944 1.944 3.444 weight 1.000 ! spec=HNH, no=438, id=310, vol=4.040000e+05
assign (resid 63 and name HD21) (resid 62 and name HG) 4.182 2.186 3.686 weight 1.000 ! spec=HNH, no=439, id=311, vol=2.840000e+05
assign (resid 86 and name HE22) (resid 86 and name HE21) 1.507 0.284 1.784 weight 1.000 ! spec=HNH, no=443, id=314, vol=1.300000e+08
assign (resid 74 and name HN) (resid 74 and name HE22) 3.909 1.910 3.41 weight 1.000 ! spec=HNH, no=444, id=315, vol=4.260000e+05
assign (resid 74 and name HE22) (resid 73 and name HA) 3.965 1.965 3.465 weight 1.000 ! spec=HNH, no=449, id=320, vol=3.910000e+05
assign (resid 74 and name HE22) (resid 74 and name HA) 3.740 1.749 3.249 weight 1.000 ! spec=HNH, no=450, id=321, vol=5.550000e+05
assign (resid 74 and name HE22) (resid 74 and name HB2) 3.674 1.687 3.187 weight 1.000 ! spec=HNH, no=451, id=322, vol=6.180000e+05
or (resid 74 and name HE22) (resid 74 and name HB1)
assign (resid 74 and name HE22) (resid 74 and name HG2) 2.903 1.053 2.553 weight 1.000 ! spec=HNH, no=452, id=323, vol=2.540000e+06
or (resid 74 and name HE22) (resid 74 and name HG1)
assign (resid 5 and name HE22) (resid 5 and name HG2) 3.135 1.229 2.729 weight 1.000 ! spec=HNH, no=454, id=325, vol=1.600000e+06
assign (resid 74 and name HE22) (resid 75 and name HN) 2.762 0.954 2.454 weight 1.000 ! spec=HNH, no=461, id=332, vol=3.420000e+06
assign (resid 86 and name HE22) (resid 79 and name HB2) 3.742 1.750 3.25 weight 1.000 ! spec=HNH, no=464, id=335, vol=5.540000e+05
assign (resid 74 and name HE22) (resid 73 and name HB1) 4.405 2.426 3.926 weight 1.000 ! spec=HNH, no=469, id=338, vol=2.080000e+05
assign (resid 86 and name HE22) (resid 86 and name HB1) 3.965 1.965 3.465 weight 1.000 ! spec=HNH, no=471, id=340, vol=3.910000e+05
assign (resid 28 and name HN) (resid 24 and name HA) 4.258 2.266 3.766 weight 1.000 ! spec=HNH, no=477, id=346, vol=2.550000e+05
assign (resid 29 and name HN) (resid 26 and name HN) 3.861 1.863 3.363 weight 1.000 ! spec=HNH, no=488, id=354, vol=4.590000e+05
assign (resid 29 and name HN) (resid 81 and name HZ2) 3.142 1.234 2.734 weight 1.000 ! spec=HNH, no=489, id=355, vol=1.580000e+06
assign (resid 29 and name HN) (resid 30 and name HA) 4.409 2.430 3.93 weight 1.000 ! spec=HNH, no=490, id=356, vol=2.070000e+05
assign (resid 29 and name HN) (resid 71 and name HD22) 4.242 2.249 3.749 weight 1.000 ! spec=HNH, no=491, id=357, vol=2.610000e+05
or (resid 29 and name HN) (resid 71 and name HD21)
or (resid 29 and name HN) (resid 71 and name HD23)
assign (resid 74 and name HE21) (resid 73 and name HB1) 4.083 2.084 3.584 weight 1.000 ! spec=HNH, no=493, id=359, vol=3.280000e+05
assign (resid 74 and name HE21) (resid 74 and name HA) 3.739 1.748 3.248 weight 1.000 ! spec=HNH, no=494, id=360, vol=5.560000e+05
assign (resid 44 and name HN) (resid 41 and name HB2) 3.280 1.345 2.845 weight 1.000 ! spec=HNH, no=505, id=369, vol=1.220000e+06
or (resid 44 and name HN) (resid 41 and name HB1)
or (resid 44 and name HN) (resid 41 and name HB3)
assign (resid 60 and name HN) (resid 61 and name HN) 2.713 0.920 2.42 weight 1.000 ! spec=HNH, no=508, id=372, vol=3.810000e+06
assign (resid 60 and name HN) (resid 59 and name HN) 2.819 0.993 2.493 weight 1.000 ! spec=HNH, no=509, id=373, vol=3.030000e+06
assign (resid 60 and name HN) (resid 58 and name HA) 4.278 2.288 3.788 weight 1.000 ! spec=HNH, no=514, id=377, vol=2.480000e+05
assign (resid 60 and name HN) (resid 57 and name HG2) 3.648 1.663 3.163 weight 1.000 ! spec=HNH, no=522, id=385, vol=6.450000e+05
assign (resid 60 and name HN) (resid 60 and name HG21) 2.848 1.014 2.514 weight 1.000 ! spec=HNH, no=523, id=386, vol=2.850000e+06
or (resid 60 and name HN) (resid 60 and name HG22)
or (resid 60 and name HN) (resid 60 and name HG23)
assign (resid 22 and name HN) (resid 3 and name HD12) 3.044 1.158 2.658 weight 1.000 ! spec=HNH, no=524, id=387, vol=1.910000e+06
or (resid 22 and name HN) (resid 3 and name HD11)
or (resid 22 and name HN) (resid 3 and name HD13)
assign (resid 60 and name HN) (resid 62 and name HD22) 3.858 1.860 3.36 weight 1.000 ! spec=HNH, no=527, id=390, vol=4.610000e+05
or (resid 60 and name HN) (resid 62 and name HD21)
or (resid 60 and name HN) (resid 62 and name HD23)
assign (resid 37 and name HN) (resid 40 and name HN) 4.011 2.011 3.511 weight 1.000 ! spec=HNH, no=528, id=391, vol=3.650000e+05
assign (resid 37 and name HN) (resid 39 and name HN) 3.470 1.505 3.005 weight 1.000 ! spec=HNH, no=530, id=393, vol=8.700000e+05
assign (resid 37 and name HN) (resid 38 and name HN) 2.719 0.924 2.424 weight 1.000 ! spec=HNH, no=532, id=394, vol=3.760000e+06
assign (resid 37 and name HN) (resid 58 and name HD1) 3.742 1.750 3.25 weight 1.000 ! spec=HNH, no=533, id=395, vol=5.540000e+05
or (resid 37 and name HN) (resid 58 and name HD2)
assign (resid 37 and name HN) (resid 33 and name HD1) 3.912 1.913 3.413 weight 1.000 ! spec=HNH, no=534, id=396, vol=4.240000e+05
or (resid 37 and name HN) (resid 33 and name HD2)
assign (resid 37 and name HN) (resid 36 and name HA) 3.176 1.261 2.761 weight 1.000 ! spec=HNH, no=537, id=399, vol=1.480000e+06
assign (resid 37 and name HN) (resid 38 and name HB2) 3.529 1.557 3.057 weight 1.000 ! spec=HNH, no=540, id=402, vol=7.870000e+05
assign (resid 37 and name HN) (resid 34 and name HG1) 4.517 2.550 4.05 weight 1.000 ! spec=HNH, no=541, id=403, vol=1.790000e+05
assign (resid 37 and name HN) (resid 35 and name HB2) 3.402 1.447 2.947 weight 1.000 ! spec=HNH, no=543, id=405, vol=9.800000e+05
or (resid 37 and name HN) (resid 35 and name HB1)
assign (resid 37 and name HN) (resid 36 and name HB1) 2.989 1.117 2.617 weight 1.000 ! spec=HNH, no=545, id=407, vol=2.130000e+06
assign (resid 37 and name HN) (resid 37 and name HB1) 2.522 0.795 2.295 weight 1.000 ! spec=HNH, no=547, id=409, vol=5.910000e+06
assign (resid 37 and name HN) (resid 48 and name HD2) 3.439 1.479 2.979 weight 1.000 ! spec=HNH, no=549, id=411, vol=9.180000e+05
or (resid 37 and name HN) (resid 48 and name HD1)
assign (resid 37 and name HN) (resid 37 and name HD22) 2.699 0.911 2.411 weight 1.000 ! spec=HNH, no=550, id=412, vol=3.930000e+06
or (resid 37 and name HN) (resid 37 and name HD21)
or (resid 37 and name HN) (resid 37 and name HD23)
or (resid 37 and name HN) (resid 37 and name HD12)
or (resid 37 and name HN) (resid 37 and name HD11)
or (resid 37 and name HN) (resid 37 and name HD13)
assign (resid 50 and name HN) (resid 49 and name HN) 2.695 0.908 2.408 weight 1.000 ! spec=HNH, no=552, id=414, vol=3.970000e+06
assign (resid 50 and name HN) (resid 48 and name HN) 3.580 1.602 3.102 weight 1.000 ! spec=HNH, no=553, id=415, vol=7.220000e+05
assign (resid 50 and name HN) (resid 47 and name HN) 3.242 1.313 2.813 weight 1.000 ! spec=HNH, no=554, id=416, vol=1.310000e+06
assign (resid 50 and name HN) (resid 51 and name HN) 2.436 0.742 2.242 weight 1.000 ! spec=HNH, no=557, id=418, vol=7.270000e+06
assign (resid 50 and name HN) (resid 47 and name HA) 3.730 1.739 3.239 weight 1.000 ! spec=HNH, no=558, id=419, vol=5.640000e+05
assign (resid 50 and name HN) (resid 47 and name HE2) 3.770 1.777 3.277 weight 1.000 ! spec=HNH, no=562, id=423, vol=5.290000e+05
or (resid 50 and name HN) (resid 47 and name HE1)
assign (resid 50 and name HN) (resid 50 and name HG2) 2.241 0.628 2.128 weight 1.000 ! spec=HNH, no=563, id=424, vol=1.200000e+07
assign (resid 50 and name HN) (resid 49 and name HB2) 2.807 0.985 2.485 weight 1.000 ! spec=HNH, no=564, id=425, vol=3.110000e+06
or (resid 50 and name HN) (resid 49 and name HB1)
assign (resid 50 and name HN) (resid 47 and name HB1) 2.926 1.070 2.57 weight 1.000 ! spec=HNH, no=565, id=426, vol=2.420000e+06
assign (resid 50 and name HN) (resid 48 and name HG2) 3.254 1.324 2.824 weight 1.000 ! spec=HNH, no=566, id=427, vol=1.280000e+06
or (resid 50 and name HN) (resid 48 and name HG1)
assign (resid 50 and name HN) (resid 51 and name HD22) 3.113 1.211 2.711 weight 1.000 ! spec=HNH, no=567, id=428, vol=1.670000e+06
or (resid 50 and name HN) (resid 51 and name HD21)
or (resid 50 and name HN) (resid 51 and name HD23)
or (resid 50 and name HN) (resid 51 and name HD12)
or (resid 50 and name HN) (resid 51 and name HD11)
or (resid 50 and name HN) (resid 51 and name HD13)
assign (resid 50 and name HN) (resid 46 and name HG22) 3.246 1.317 2.817 weight 1.000 ! spec=HNH, no=568, id=429, vol=1.300000e+06
or (resid 50 and name HN) (resid 46 and name HG21)
or (resid 50 and name HN) (resid 46 and name HG23)
assign (resid 25 and name HN) (resid 24 and name HN) 2.686 0.902 2.402 weight 1.000 ! spec=HNH, no=571, id=431, vol=4.050000e+06
assign (resid 25 and name HN) (resid 23 and name HN) 3.063 1.173 2.673 weight 1.000 ! spec=HNH, no=573, id=433, vol=1.840000e+06
assign (resid 25 and name HN) (resid 22 and name HN) 3.552 1.577 3.077 weight 1.000 ! spec=HNH, no=575, id=434, vol=7.570000e+05
assign (resid 25 and name HN) (resid 26 and name HN) 2.636 0.869 2.369 weight 1.000 ! spec=HNH, no=576, id=435, vol=4.530000e+06
assign (resid 25 and name HN) (resid 23 and name HA) 3.570 1.593 3.093 weight 1.000 ! spec=HNH, no=579, id=438, vol=7.340000e+05
assign (resid 25 and name HN) (resid 24 and name HB1) 2.989 1.117 2.617 weight 1.000 ! spec=HNH, no=581, id=440, vol=2.130000e+06
assign (resid 25 and name HN) (resid 25 and name HG2) 2.696 0.908 2.408 weight 1.000 ! spec=HNH, no=582, id=441, vol=3.960000e+06
or (resid 25 and name HN) (resid 25 and name HG1)
assign (resid 25 and name HN) (resid 23 and name HD12) 3.742 1.750 3.25 weight 1.000 ! spec=HNH, no=584, id=443, vol=5.540000e+05
or (resid 25 and name HN) (resid 23 and name HD11)
or (resid 25 and name HN) (resid 23 and name HD13)
assign (resid 25 and name HN) (resid 78 and name HD22) 3.649 1.664 3.164 weight 1.000 ! spec=HNH, no=585, id=444, vol=6.440000e+05
or (resid 25 and name HN) (resid 78 and name HD21)
or (resid 25 and name HN) (resid 78 and name HD23)
assign (resid 54 and name HN) (resid 55 and name HN) 2.541 0.807 2.307 weight 1.000 ! spec=HNH, no=588, id=446, vol=5.640000e+06
assign (resid 54 and name HN) (resid 54 and name HG2) 2.708 0.917 2.417 weight 1.000 ! spec=HNH, no=599, id=457, vol=3.850000e+06
assign (resid 68 and name HN) (resid 76 and name HZ3) 4.158 2.161 3.661 weight 1.000 ! spec=HNH, no=602, id=460, vol=2.940000e+05
assign (resid 68 and name HN) (resid 79 and name HB2) 4.061 2.061 3.561 weight 1.000 ! spec=HNH, no=604, id=462, vol=3.390000e+05
assign (resid 68 and name HN) (resid 62 and name HD12) 4.091 2.093 3.593 weight 1.000 ! spec=HNH, no=605, id=463, vol=3.240000e+05
or (resid 68 and name HN) (resid 62 and name HD11)
or (resid 68 and name HN) (resid 62 and name HD13)
assign (resid 59 and name HN) (resid 55 and name HN) 4.161 2.164 3.664 weight 1.000 ! spec=HNH, no=610, id=467, vol=2.930000e+05
assign (resid 59 and name HN) (resid 58 and name HA) 3.459 1.495 2.995 weight 1.000 ! spec=HNH, no=615, id=471, vol=8.880000e+05
assign (resid 59 and name HN) (resid 57 and name HA) 3.843 1.846 3.346 weight 1.000 ! spec=HNH, no=617, id=473, vol=4.720000e+05
assign (resid 59 and name HN) (resid 57 and name HB1) 3.997 1.997 3.497 weight 1.000 ! spec=HNH, no=621, id=477, vol=3.730000e+05
assign (resid 59 and name HN) (resid 56 and name HB2) 3.558 1.583 3.083 weight 1.000 ! spec=HNH, no=623, id=479, vol=7.490000e+05
or (resid 59 and name HN) (resid 56 and name HB1)
or (resid 59 and name HN) (resid 56 and name HB3)
assign (resid 59 and name HN) (resid 60 and name HG21) 4.266 2.275 3.775 weight 1.000 ! spec=HNH, no=624, id=480, vol=2.520000e+05
or (resid 59 and name HN) (resid 60 and name HG22)
or (resid 59 and name HN) (resid 60 and name HG23)
assign (resid 59 and name HN) (resid 16 and name HD12) 3.780 1.786 3.286 weight 1.000 ! spec=HNH, no=628, id=484, vol=5.210000e+05
or (resid 59 and name HN) (resid 16 and name HD11)
or (resid 59 and name HN) (resid 16 and name HD13)
assign (resid 20 and name HN) (resid 17 and name HN) 3.952 1.952 3.452 weight 1.000 ! spec=HNH, no=629, id=485, vol=3.990000e+05
assign (resid 20 and name HN) (resid 21 and name HN) 2.642 0.872 2.372 weight 1.000 ! spec=HNH, no=631, id=486, vol=4.470000e+06
assign (resid 20 and name HN) (resid 19 and name HN) 2.761 0.953 2.453 weight 1.000 ! spec=HNH, no=634, id=489, vol=3.430000e+06
assign (resid 20 and name HN) (resid 21 and name HA) 3.828 1.832 3.332 weight 1.000 ! spec=HNH, no=636, id=491, vol=4.830000e+05
assign (resid 20 and name HN) (resid 18 and name HB2) 3.907 1.909 3.409 weight 1.000 ! spec=HNH, no=641, id=496, vol=4.270000e+05
assign (resid 20 and name HN) (resid 19 and name HB) 2.692 0.906 2.406 weight 1.000 ! spec=HNH, no=642, id=497, vol=3.990000e+06
assign (resid 20 and name HN) (resid 19 and name HG12) 3.083 1.188 2.688 weight 1.000 ! spec=HNH, no=643, id=498, vol=1.770000e+06
assign (resid 20 and name HN) (resid 17 and name HG22) 3.554 1.579 3.079 weight 1.000 ! spec=HNH, no=645, id=500, vol=7.540000e+05
or (resid 20 and name HN) (resid 17 and name HG21)
or (resid 20 and name HN) (resid 17 and name HG23)
or (resid 20 and name HN) (resid 17 and name HG12)
or (resid 20 and name HN) (resid 17 and name HG11)
or (resid 20 and name HN) (resid 17 and name HG13)
assign (resid 20 and name HN) (resid 68 and name HD1) 4.215 2.221 3.721 weight 1.000 ! spec=HNH, no=655, id=508, vol=2.710000e+05
or (resid 20 and name HN) (resid 68 and name HD2)
assign (resid 9 and name HN) (resid 8 and name HG2) 3.534 1.561 3.061 weight 1.000 ! spec=HNH, no=662, id=515, vol=7.800000e+05
assign (resid 21 and name HN) (resid 58 and name HE1) 4.154 2.157 3.657 weight 1.000 ! spec=HNH, no=664, id=517, vol=2.960000e+05
or (resid 21 and name HN) (resid 58 and name HE2)
assign (resid 25 and name HN) (resid 24 and name HA) 3.271 1.338 2.838 weight 1.000 ! spec=HNH, no=667, id=520, vol=1.240000e+06
assign (resid 25 and name HN) (resid 26 and name HB1) 3.487 1.520 3.02 weight 1.000 ! spec=HNH, no=671, id=524, vol=8.460000e+05
assign (resid 25 and name HN) (resid 23 and name HB2) 3.786 1.792 3.292 weight 1.000 ! spec=HNH, no=672, id=525, vol=5.160000e+05
assign (resid 25 and name HN) (resid 23 and name HB1) 4.144 2.147 3.647 weight 1.000 ! spec=HNH, no=674, id=527, vol=3.000000e+05
assign (resid 68 and name HN) (resid 67 and name HN) 2.853 1.017 2.517 weight 1.000 ! spec=HNH, no=677, id=530, vol=2.820000e+06
assign (resid 68 and name HN) (resid 78 and name HA) 3.862 1.864 3.364 weight 1.000 ! spec=HNH, no=683, id=536, vol=4.580000e+05
assign (resid 68 and name HN) (resid 68 and name HB1) 3.169 1.256 2.756 weight 1.000 ! spec=HNH, no=686, id=539, vol=1.500000e+06
assign (resid 59 and name HN) (resid 58 and name HB2) 2.999 1.124 2.624 weight 1.000 ! spec=HNH, no=690, id=543, vol=2.090000e+06
assign (resid 20 and name HN) (resid 22 and name HN) 3.864 1.866 3.366 weight 1.000 ! spec=HNH, no=691, id=544, vol=4.570000e+05
assign (resid 24 and name HN) (resid 24 and name HD1) 3.285 1.349 2.849 weight 1.000 ! spec=HNH, no=692, id=545, vol=1.210000e+06
or (resid 24 and name HN) (resid 24 and name HD2)
assign (resid 24 and name HN) (resid 26 and name HN) 3.765 1.771 3.271 weight 1.000 ! spec=HNH, no=693, id=546, vol=5.340000e+05
assign (resid 24 and name HN) (resid 22 and name HN) 3.773 1.779 3.279 weight 1.000 ! spec=HNH, no=694, id=547, vol=5.270000e+05
assign (resid 24 and name HN) (resid 81 and name HH2) 3.988 1.988 3.488 weight 1.000 ! spec=HNH, no=695, id=548, vol=3.780000e+05
assign (resid 24 and name HN) (resid 24 and name HA) 2.913 1.060 2.56 weight 1.000 ! spec=HNH, no=697, id=550, vol=2.490000e+06
assign (resid 24 and name HN) (resid 25 and name HA) 3.820 1.824 3.324 weight 1.000 ! spec=HNH, no=698, id=551, vol=4.890000e+05
assign (resid 24 and name HN) (resid 23 and name HA) 3.337 1.392 2.892 weight 1.000 ! spec=HNH, no=699, id=552, vol=1.100000e+06
assign (resid 24 and name HN) (resid 21 and name HB2) 3.859 1.862 3.362 weight 1.000 ! spec=HNH, no=702, id=555, vol=4.600000e+05
assign (resid 24 and name HN) (resid 24 and name HB2) 3.013 1.135 2.635 weight 1.000 ! spec=HNH, no=704, id=557, vol=2.030000e+06
assign (resid 24 and name HN) (resid 24 and name HB1) 2.833 1.003 2.503 weight 1.000 ! spec=HNH, no=705, id=558, vol=2.940000e+06
assign (resid 24 and name HN) (resid 25 and name HB2) 3.422 1.464 2.964 weight 1.000 ! spec=HNH, no=706, id=559, vol=9.470000e+05
or (resid 24 and name HN) (resid 25 and name HB1)
assign (resid 24 and name HN) (resid 25 and name HG2) 4.190 2.194 3.694 weight 1.000 ! spec=HNH, no=707, id=560, vol=2.810000e+05
or (resid 24 and name HN) (resid 25 and name HG1)
assign (resid 24 and name HN) (resid 22 and name HB2) 3.809 1.813 3.313 weight 1.000 ! spec=HNH, no=708, id=561, vol=4.980000e+05
or (resid 24 and name HN) (resid 22 and name HB1)
assign (resid 24 and name HN) (resid 23 and name HB2) 2.985 1.114 2.614 weight 1.000 ! spec=HNH, no=709, id=562, vol=2.150000e+06
assign (resid 24 and name HN) (resid 23 and name HG) 3.405 1.449 2.949 weight 1.000 ! spec=HNH, no=710, id=563, vol=9.750000e+05
assign (resid 24 and name HN) (resid 20 and name HB2) 3.547 1.573 3.073 weight 1.000 ! spec=HNH, no=711, id=564, vol=7.630000e+05
or (resid 24 and name HN) (resid 20 and name HB1)
or (resid 24 and name HN) (resid 20 and name HB3)
assign (resid 24 and name HN) (resid 23 and name HD12) 3.254 1.324 2.824 weight 1.000 ! spec=HNH, no=713, id=566, vol=1.280000e+06
or (resid 24 and name HN) (resid 23 and name HD11)
or (resid 24 and name HN) (resid 23 and name HD13)
assign (resid 24 and name HN) (resid 78 and name HG) 3.413 1.456 2.956 weight 1.000 ! spec=HNH, no=716, id=569, vol=9.620000e+05
assign (resid 24 and name HN) (resid 78 and name HD22) 3.419 1.461 2.961 weight 1.000 ! spec=HNH, no=717, id=570, vol=9.510000e+05
or (resid 24 and name HN) (resid 78 and name HD21)
or (resid 24 and name HN) (resid 78 and name HD23)
assign (resid 67 and name HN) (resid 66 and name HN) 3.159 1.247 2.747 weight 1.000 ! spec=HNH, no=719, id=571, vol=1.530000e+06
assign (resid 67 and name HN) (resid 65 and name HN) 4.195 2.199 3.699 weight 1.000 ! spec=HNH, no=721, id=573, vol=2.790000e+05
assign (resid 67 and name HN) (resid 21 and name HD2) 4.228 2.235 3.735 weight 1.000 ! spec=HNH, no=724, id=576, vol=2.660000e+05
assign (resid 67 and name HN) (resid 65 and name HA) 3.628 1.645 3.145 weight 1.000 ! spec=HNH, no=728, id=580, vol=6.670000e+05
assign (resid 67 and name HN) (resid 68 and name HB1) 4.115 2.117 3.617 weight 1.000 ! spec=HNH, no=729, id=581, vol=3.130000e+05
assign (resid 67 and name HN) (resid 68 and name HB2) 4.033 2.034 3.534 weight 1.000 ! spec=HNH, no=730, id=582, vol=3.530000e+05
assign (resid 67 and name HN) (resid 65 and name HB2) 4.006 2.006 3.506 weight 1.000 ! spec=HNH, no=731, id=583, vol=3.680000e+05
assign (resid 67 and name HN) (resid 65 and name HB1) 3.928 1.928 3.428 weight 1.000 ! spec=HNH, no=733, id=585, vol=4.140000e+05
assign (resid 67 and name HN) (resid 67 and name HB2) 3.280 1.345 2.845 weight 1.000 ! spec=HNH, no=735, id=587, vol=1.220000e+06
assign (resid 67 and name HN) (resid 17 and name HG22) 4.200 2.205 3.705 weight 1.000 ! spec=HNH, no=738, id=590, vol=2.770000e+05
or (resid 67 and name HN) (resid 17 and name HG21)
or (resid 67 and name HN) (resid 17 and name HG23)
or (resid 67 and name HN) (resid 17 and name HG12)
or (resid 67 and name HN) (resid 17 and name HG11)
or (resid 67 and name HN) (resid 17 and name HG13)
assign (resid 67 and name HN) (resid 78 and name HD22) 4.117 2.119 3.619 weight 1.000 ! spec=HNH, no=739, id=591, vol=3.120000e+05
or (resid 67 and name HN) (resid 78 and name HD21)
or (resid 67 and name HN) (resid 78 and name HD23)
assign (resid 7 and name HN) (resid 11 and name HN) 3.660 1.675 3.175 weight 1.000 ! spec=HNH, no=742, id=593, vol=6.320000e+05
assign (resid 7 and name HN) (resid 6 and name HN) 3.332 1.388 2.888 weight 1.000 ! spec=HNH, no=744, id=595, vol=1.110000e+06
assign (resid 7 and name HN) (resid 6 and name HA) 2.338 0.683 2.183 weight 1.000 ! spec=HNH, no=746, id=597, vol=9.310000e+06
assign (resid 7 and name HN) (resid 7 and name HA) 2.956 1.092 2.592 weight 1.000 ! spec=HNH, no=747, id=598, vol=2.280000e+06
assign (resid 7 and name HN) (resid 7 and name HB1) 2.926 1.070 2.57 weight 1.000 ! spec=HNH, no=749, id=600, vol=2.420000e+06
assign (resid 7 and name HN) (resid 6 and name HB1) 3.176 1.261 2.761 weight 1.000 ! spec=HNH, no=752, id=603, vol=1.480000e+06
assign (resid 7 and name HN) (resid 10 and name HB2) 3.026 1.145 2.645 weight 1.000 ! spec=HNH, no=753, id=604, vol=1.980000e+06
assign (resid 7 and name HN) (resid 11 and name HG) 3.997 1.997 3.497 weight 1.000 ! spec=HNH, no=757, id=608, vol=3.730000e+05
assign (resid 7 and name HN) (resid 11 and name HD22) 3.828 1.832 3.332 weight 1.000 ! spec=HNH, no=759, id=610, vol=4.830000e+05
or (resid 7 and name HN) (resid 11 and name HD21)
or (resid 7 and name HN) (resid 11 and name HD23)
assign (resid 7 and name HN) (resid 8 and name HN) 3.414 1.457 2.957 weight 1.000 ! spec=HNH, no=761, id=611, vol=9.600000e+05
assign (resid 8 and name HN) (resid 9 and name HN) 2.618 0.857 2.357 weight 1.000 ! spec=HNH, no=762, id=612, vol=4.720000e+06
assign (resid 3 and name HN) (resid 2 and name HA1) 2.706 0.915 2.415 weight 1.000 ! spec=HNH, no=770, id=620, vol=3.870000e+06
assign (resid 8 and name HN) (resid 8 and name HG2) 3.086 1.190 2.69 weight 1.000 ! spec=HNH, no=772, id=622, vol=1.760000e+06
assign (resid 8 and name HN) (resid 11 and name HG) 3.873 1.875 3.375 weight 1.000 ! spec=HNH, no=776, id=626, vol=4.500000e+05
assign (resid 8 and name HN) (resid 11 and name HD12) 3.455 1.492 2.992 weight 1.000 ! spec=HNH, no=777, id=627, vol=8.930000e+05
or (resid 8 and name HN) (resid 11 and name HD11)
or (resid 8 and name HN) (resid 11 and name HD13)
assign (resid 48 and name HN) (resid 51 and name HN) 4.113 2.114 3.614 weight 1.000 ! spec=HNH, no=791, id=637, vol=3.140000e+05
assign (resid 48 and name HN) (resid 50 and name HG2) 3.658 1.673 3.173 weight 1.000 ! spec=HNH, no=798, id=644, vol=6.340000e+05
assign (resid 48 and name HN) (resid 49 and name HG2) 4.326 2.339 3.839 weight 1.000 ! spec=HNH, no=799, id=645, vol=2.320000e+05
assign (resid 48 and name HN) (resid 47 and name HB2) 2.851 1.016 2.516 weight 1.000 ! spec=HNH, no=800, id=646, vol=2.830000e+06
assign (resid 48 and name HN) (resid 51 and name HD22) 3.374 1.423 2.923 weight 1.000 ! spec=HNH, no=807, id=653, vol=1.030000e+06
or (resid 48 and name HN) (resid 51 and name HD21)
or (resid 48 and name HN) (resid 51 and name HD23)
or (resid 48 and name HN) (resid 51 and name HD12)
or (resid 48 and name HN) (resid 51 and name HD11)
or (resid 48 and name HN) (resid 51 and name HD13)
assign (resid 48 and name HN) (resid 46 and name HG22) 3.738 1.747 3.247 weight 1.000 ! spec=HNH, no=808, id=654, vol=5.570000e+05
or (resid 48 and name HN) (resid 46 and name HG21)
or (resid 48 and name HN) (resid 46 and name HG23)
assign (resid 53 and name HN) (resid 54 and name HN) 2.989 1.117 2.617 weight 1.000 ! spec=HNH, no=809, id=655, vol=2.130000e+06
assign (resid 53 and name HN) (resid 54 and name HA) 4.087 2.088 3.588 weight 1.000 ! spec=HNH, no=812, id=658, vol=3.260000e+05
assign (resid 53 and name HN) (resid 55 and name HG12) 3.627 1.644 3.144 weight 1.000 ! spec=HNH, no=817, id=663, vol=6.680000e+05
assign (resid 53 and name HN) (resid 54 and name HG2) 4.266 2.275 3.775 weight 1.000 ! spec=HNH, no=818, id=664, vol=2.520000e+05
assign (resid 53 and name HN) (resid 55 and name HB) 4.210 2.215 3.715 weight 1.000 ! spec=HNH, no=819, id=665, vol=2.730000e+05
assign (resid 69 and name HN) (resid 77 and name HN) 3.031 1.148 2.648 weight 1.000 ! spec=HNH, no=823, id=668, vol=1.960000e+06
assign (resid 61 and name HN) (resid 63 and name HN) 3.513 1.542 3.042 weight 1.000 ! spec=HNH, no=825, id=670, vol=8.090000e+05
assign (resid 61 and name HN) (resid 59 and name HD1) 4.275 2.284 3.784 weight 1.000 ! spec=HNH, no=828, id=673, vol=2.490000e+05
or (resid 61 and name HN) (resid 59 and name HD2)
assign (resid 61 and name HN) (resid 58 and name HE1) 4.298 2.309 3.809 weight 1.000 ! spec=HNH, no=830, id=675, vol=2.410000e+05
or (resid 61 and name HN) (resid 58 and name HE2)
assign (resid 61 and name HN) (resid 58 and name HA) 3.322 1.380 2.88 weight 1.000 ! spec=HNH, no=832, id=677, vol=1.130000e+06
assign (resid 69 and name HN) (resid 69 and name HA) 3.250 1.320 2.82 weight 1.000 ! spec=HNH, no=834, id=679, vol=1.290000e+06
assign (resid 61 and name HN) (resid 57 and name HA) 3.422 1.464 2.964 weight 1.000 ! spec=HNH, no=838, id=683, vol=9.460000e+05
assign (resid 69 and name HN) (resid 70 and name HA) 3.786 1.792 3.292 weight 1.000 ! spec=HNH, no=839, id=684, vol=5.160000e+05
assign (resid 61 and name HN) (resid 17 and name HB) 4.004 2.004 3.504 weight 1.000 ! spec=HNH, no=842, id=687, vol=3.690000e+05
assign (resid 61 and name HN) (resid 57 and name HB1) 4.059 2.059 3.559 weight 1.000 ! spec=HNH, no=843, id=688, vol=3.400000e+05
assign (resid 69 and name HN) (resid 79 and name HB2) 3.944 1.944 3.444 weight 1.000 ! spec=HNH, no=845, id=690, vol=4.040000e+05
assign (resid 61 and name HN) (resid 64 and name HG11) 3.655 1.669 3.169 weight 1.000 ! spec=HNH, no=847, id=692, vol=6.380000e+05
assign (resid 69 and name HN) (resid 69 and name HB1) 3.060 1.171 2.671 weight 1.000 ! spec=HNH, no=848, id=693, vol=1.850000e+06
assign (resid 69 and name HN) (resid 69 and name HD12) 3.374 1.423 2.923 weight 1.000 ! spec=HNH, no=850, id=695, vol=1.030000e+06
or (resid 69 and name HN) (resid 69 and name HD11)
or (resid 69 and name HN) (resid 69 and name HD13)
assign (resid 69 and name HN) (resid 69 and name HD22) 3.229 1.304 2.804 weight 1.000 ! spec=HNH, no=851, id=696, vol=1.340000e+06
or (resid 69 and name HN) (resid 69 and name HD21)
or (resid 69 and name HN) (resid 69 and name HD23)
assign (resid 69 and name HN) (resid 68 and name HB1) 2.982 1.112 2.612 weight 1.000 ! spec=HNH, no=857, id=702, vol=2.160000e+06
assign (resid 76 and name HN) (resid 31 and name HN) 3.063 1.173 2.673 weight 1.000 ! spec=HNH, no=860, id=705, vol=1.840000e+06
assign (resid 76 and name HN) (resid 68 and name HZ) 3.926 1.927 3.427 weight 1.000 ! spec=HNH, no=862, id=706, vol=4.150000e+05
assign (resid 76 and name HN) (resid 76 and name HA) 3.385 1.432 2.932 weight 1.000 ! spec=HNH, no=866, id=710, vol=1.010000e+06
assign (resid 76 and name HN) (resid 75 and name HA) 3.008 1.131 2.631 weight 1.000 ! spec=HNH, no=868, id=712, vol=2.050000e+06
assign (resid 76 and name HN) (resid 32 and name HD2) 3.811 1.816 3.316 weight 1.000 ! spec=HNH, no=870, id=714, vol=4.960000e+05
assign (resid 76 and name HN) (resid 70 and name HA) 3.839 1.842 3.342 weight 1.000 ! spec=HNH, no=872, id=716, vol=4.750000e+05
assign (resid 76 and name HN) (resid 76 and name HB2) 3.031 1.148 2.648 weight 1.000 ! spec=HNH, no=873, id=717, vol=1.960000e+06
or (resid 76 and name HN) (resid 76 and name HB1)
assign (resid 76 and name HN) (resid 30 and name HB1) 3.672 1.685 3.185 weight 1.000 ! spec=HNH, no=874, id=718, vol=6.200000e+05
assign (resid 76 and name HN) (resid 75 and name HG21) 2.930 1.073 2.573 weight 1.000 ! spec=HNH, no=876, id=720, vol=2.400000e+06
or (resid 76 and name HN) (resid 75 and name HG22)
or (resid 76 and name HN) (resid 75 and name HG23)
assign (resid 41 and name HN) (resid 40 and name HN) 2.458 0.755 2.255 weight 1.000 ! spec=HNH, no=880, id=722, vol=6.890000e+06
assign (resid 42 and name HN) (resid 41 and name HN) 2.632 0.866 2.366 weight 1.000 ! spec=HNH, no=881, id=723, vol=4.570000e+06
assign (resid 41 and name HN) (resid 48 and name HE2) 3.952 1.952 3.452 weight 1.000 ! spec=HNH, no=885, id=727, vol=3.990000e+05
or (resid 41 and name HN) (resid 48 and name HE1)
assign (resid 41 and name HN) (resid 40 and name HB) 2.691 0.905 2.405 weight 1.000 ! spec=HNH, no=888, id=730, vol=4.000000e+06
assign (resid 41 and name HN) (resid 44 and name HD22) 2.836 1.006 2.506 weight 1.000 ! spec=HNH, no=891, id=733, vol=2.920000e+06
or (resid 41 and name HN) (resid 44 and name HD21)
or (resid 41 and name HN) (resid 44 and name HD23)
or (resid 41 and name HN) (resid 44 and name HD12)
or (resid 41 and name HN) (resid 44 and name HD11)
or (resid 41 and name HN) (resid 44 and name HD13)
assign (resid 41 and name HN) (resid 40 and name HD12) 3.166 1.253 2.753 weight 1.000 ! spec=HNH, no=893, id=735, vol=1.510000e+06
or (resid 41 and name HN) (resid 40 and name HD11)
or (resid 41 and name HN) (resid 40 and name HD13)
assign (resid 41 and name HN) (resid 23 and name HD12) 3.675 1.688 3.188 weight 1.000 ! spec=HNH, no=894, id=736, vol=6.170000e+05
or (resid 41 and name HN) (resid 23 and name HD11)
or (resid 41 and name HN) (resid 23 and name HD13)
assign (resid 23 and name HN) (resid 22 and name HN) 2.726 0.929 2.429 weight 1.000 ! spec=HNH, no=897, id=737, vol=3.700000e+06
assign (resid 23 and name HN) (resid 24 and name HA) 4.033 2.034 3.534 weight 1.000 ! spec=HNH, no=899, id=739, vol=3.530000e+05
assign (resid 23 and name HN) (resid 20 and name HA) 3.363 1.414 2.914 weight 1.000 ! spec=HNH, no=903, id=743, vol=1.050000e+06
assign (resid 23 and name HN) (resid 21 and name HB2) 4.202 2.207 3.707 weight 1.000 ! spec=HNH, no=904, id=744, vol=2.760000e+05
assign (resid 23 and name HN) (resid 19 and name HA) 3.778 1.784 3.284 weight 1.000 ! spec=HNH, no=905, id=745, vol=5.230000e+05
assign (resid 23 and name HN) (resid 23 and name HB2) 2.720 0.925 2.425 weight 1.000 ! spec=HNH, no=912, id=752, vol=3.750000e+06
assign (resid 47 and name HN) (resid 46 and name HA) 2.421 0.733 2.233 weight 1.000 ! spec=HNH, no=919, id=759, vol=7.540000e+06
assign (resid 47 and name HN) (resid 46 and name HB) 2.355 0.693 2.193 weight 1.000 ! spec=HNH, no=921, id=761, vol=8.920000e+06
assign (resid 4 and name HN) (resid 4 and name HB1) 2.365 0.699 2.199 weight 1.000 ! spec=HNH, no=923, id=763, vol=8.690000e+06
assign (resid 47 and name HN) (resid 46 and name HG12) 2.771 0.960 2.46 weight 1.000 ! spec=HNH, no=927, id=767, vol=3.360000e+06
or (resid 47 and name HN) (resid 46 and name HG11)
or (resid 47 and name HN) (resid 46 and name HG13)
assign (resid 4 and name HN) (resid 3 and name HN) 3.013 1.135 2.635 weight 1.000 ! spec=HNH, no=930, id=770, vol=2.030000e+06
assign (resid 4 and name HN) (resid 2 and name HA1) 3.180 1.264 2.764 weight 1.000 ! spec=HNH, no=935, id=774, vol=1.470000e+06
assign (resid 4 and name HN) (resid 4 and name HB2) 2.536 0.804 2.304 weight 1.000 ! spec=HNH, no=936, id=775, vol=5.710000e+06
assign (resid 86 and name HN) (resid 86 and name HA) 2.281 0.650 2.15 weight 1.000 ! spec=HNH, no=939, id=778, vol=1.080000e+07
assign (resid 86 and name HN) (resid 86 and name HB1) 2.356 0.694 2.194 weight 1.000 ! spec=HNH, no=944, id=783, vol=8.880000e+06
assign (resid 62 and name HN) (resid 63 and name HN) 2.731 0.933 2.433 weight 1.000 ! spec=HNH, no=946, id=785, vol=3.660000e+06
assign (resid 73 and name HN) (resid 75 and name HN) 3.553 1.578 3.078 weight 1.000 ! spec=HNH, no=947, id=786, vol=7.560000e+05
assign (resid 62 and name HN) (resid 60 and name HA) 3.995 1.995 3.495 weight 1.000 ! spec=HNH, no=949, id=788, vol=3.740000e+05
assign (resid 62 and name HN) (resid 60 and name HG21) 3.721 1.730 3.23 weight 1.000 ! spec=HNH, no=952, id=791, vol=5.730000e+05
or (resid 62 and name HN) (resid 60 and name HG22)
or (resid 62 and name HN) (resid 60 and name HG23)
assign (resid 62 and name HN) (resid 17 and name HG22) 3.184 1.267 2.767 weight 1.000 ! spec=HNH, no=953, id=792, vol=1.460000e+06
or (resid 62 and name HN) (resid 17 and name HG21)
or (resid 62 and name HN) (resid 17 and name HG23)
or (resid 62 and name HN) (resid 17 and name HG12)
or (resid 62 and name HN) (resid 17 and name HG11)
or (resid 62 and name HN) (resid 17 and name HG13)
assign (resid 11 and name HN) (resid 11 and name HA) 2.608 0.850 2.35 weight 1.000 ! spec=HNH, no=961, id=800, vol=4.830000e+06
assign (resid 11 and name HN) (resid 6 and name HB2) 2.503 0.783 2.283 weight 1.000 ! spec=HNH, no=962, id=801, vol=6.180000e+06
assign (resid 11 and name HN) (resid 6 and name HB1) 3.401 1.446 2.946 weight 1.000 ! spec=HNH, no=963, id=802, vol=9.820000e+05
assign (resid 11 and name HN) (resid 10 and name HB2) 2.930 1.073 2.573 weight 1.000 ! spec=HNH, no=964, id=803, vol=2.400000e+06
assign (resid 11 and name HN) (resid 10 and name HG2) 3.129 1.224 2.724 weight 1.000 ! spec=HNH, no=965, id=804, vol=1.620000e+06
or (resid 11 and name HN) (resid 10 and name HG1)
assign (resid 11 and name HN) (resid 11 and name HB2) 2.558 0.818 2.318 weight 1.000 ! spec=HNH, no=966, id=805, vol=5.420000e+06
assign (resid 11 and name HN) (resid 11 and name HG) 2.584 0.834 2.334 weight 1.000 ! spec=HNH, no=967, id=806, vol=5.110000e+06
assign (resid 11 and name HN) (resid 12 and name HG1) 3.267 1.334 2.834 weight 1.000 ! spec=HNH, no=968, id=807, vol=1.250000e+06
assign (resid 11 and name HN) (resid 11 and name HB1) 2.822 0.995 2.495 weight 1.000 ! spec=HNH, no=969, id=808, vol=3.010000e+06
assign (resid 11 and name HN) (resid 11 and name HD22) 2.764 0.955 2.455 weight 1.000 ! spec=HNH, no=970, id=809, vol=3.410000e+06
or (resid 11 and name HN) (resid 11 and name HD21)
or (resid 11 and name HN) (resid 11 and name HD23)
assign (resid 11 and name HN) (resid 44 and name HD22) 3.477 1.511 3.011 weight 1.000 ! spec=HNH, no=971, id=810, vol=8.600000e+05
or (resid 11 and name HN) (resid 44 and name HD21)
or (resid 11 and name HN) (resid 44 and name HD23)
or (resid 11 and name HN) (resid 44 and name HD12)
or (resid 11 and name HN) (resid 44 and name HD11)
or (resid 11 and name HN) (resid 44 and name HD13)
assign (resid 58 and name HN) (resid 61 and name HN) 4.018 2.018 3.518 weight 1.000 ! spec=HNH, no=972, id=811, vol=3.610000e+05
assign (resid 59 and name HN) (resid 58 and name HN) 2.663 0.887 2.387 weight 1.000 ! spec=HNH, no=973, id=812, vol=4.260000e+06
assign (resid 58 and name HN) (resid 57 and name HN) 2.631 0.865 2.365 weight 1.000 ! spec=HNH, no=975, id=813, vol=4.580000e+06
assign (resid 58 and name HN) (resid 58 and name HD1) 3.074 1.181 2.681 weight 1.000 ! spec=HNH, no=977, id=815, vol=1.800000e+06
or (resid 58 and name HN) (resid 58 and name HD2)
assign (resid 58 and name HN) (resid 56 and name HA) 3.642 1.658 3.158 weight 1.000 ! spec=HNH, no=979, id=817, vol=6.510000e+05
assign (resid 58 and name HN) (resid 57 and name HA) 3.313 1.372 2.872 weight 1.000 ! spec=HNH, no=981, id=819, vol=1.150000e+06
assign (resid 58 and name HN) (resid 58 and name HB1) 2.656 0.882 2.382 weight 1.000 ! spec=HNH, no=985, id=823, vol=4.330000e+06
assign (resid 58 and name HN) (resid 59 and name HB1) 3.801 1.806 3.306 weight 1.000 ! spec=HNH, no=987, id=825, vol=5.040000e+05
assign (resid 58 and name HN) (resid 61 and name HB1) 3.472 1.507 3.007 weight 1.000 ! spec=HNH, no=988, id=826, vol=8.670000e+05
assign (resid 58 and name HN) (resid 56 and name HB2) 3.436 1.476 2.976 weight 1.000 ! spec=HNH, no=992, id=830, vol=9.240000e+05
or (resid 58 and name HN) (resid 56 and name HB1)
or (resid 58 and name HN) (resid 56 and name HB3)
assign (resid 58 and name HN) (resid 60 and name HG21) 4.075 2.076 3.576 weight 1.000 ! spec=HNH, no=994, id=832, vol=3.320000e+05
or (resid 58 and name HN) (resid 60 and name HG22)
or (resid 58 and name HN) (resid 60 and name HG23)
assign (resid 58 and name HN) (resid 55 and name HG22) 3.685 1.697 3.197 weight 1.000 ! spec=HNH, no=995, id=833, vol=6.070000e+05
or (resid 58 and name HN) (resid 55 and name HG21)
or (resid 58 and name HN) (resid 55 and name HG23)
assign (resid 58 and name HN) (resid 51 and name HD22) 3.637 1.653 3.153 weight 1.000 ! spec=HNH, no=997, id=835, vol=6.570000e+05
or (resid 58 and name HN) (resid 51 and name HD21)
or (resid 58 and name HN) (resid 51 and name HD23)
or (resid 58 and name HN) (resid 51 and name HD12)
or (resid 58 and name HN) (resid 51 and name HD11)
or (resid 58 and name HN) (resid 51 and name HD13)
assign (resid 8 and name HN) (resid 10 and name HN) 3.659 1.674 3.174 weight 1.000 ! spec=HNH, no=999, id=837, vol=6.330000e+05
assign (resid 7 and name HN) (resid 10 and name HN) 3.166 1.253 2.753 weight 1.000 ! spec=HNH, no=1000, id=838, vol=1.510000e+06
assign (resid 11 and name HN) (resid 10 and name HN) 2.511 0.788 2.288 weight 1.000 ! spec=HNH, no=1003, id=841, vol=6.060000e+06
assign (resid 10 and name HN) (resid 6 and name HA) 3.385 1.432 2.932 weight 1.000 ! spec=HNH, no=1007, id=844, vol=1.010000e+06
assign (resid 10 and name HN) (resid 7 and name HB2) 3.945 1.946 3.446 weight 1.000 ! spec=HNH, no=1008, id=845, vol=4.030000e+05
assign (resid 10 and name HN) (resid 7 and name HB1) 3.661 1.676 3.176 weight 1.000 ! spec=HNH, no=1009, id=846, vol=6.310000e+05
assign (resid 10 and name HN) (resid 10 and name HB2) 2.557 0.817 2.317 weight 1.000 ! spec=HNH, no=1015, id=851, vol=5.440000e+06
assign (resid 10 and name HN) (resid 10 and name HG2) 2.546 0.810 2.31 weight 1.000 ! spec=HNH, no=1016, id=852, vol=5.580000e+06
or (resid 10 and name HN) (resid 10 and name HG1)
assign (resid 10 and name HN) (resid 10 and name HB1) 2.468 0.762 2.262 weight 1.000 ! spec=HNH, no=1018, id=854, vol=6.720000e+06
assign (resid 55 and name HN) (resid 51 and name HG) 4.124 2.126 3.626 weight 1.000 ! spec=HNH, no=1019, id=855, vol=3.090000e+05
assign (resid 10 and name HN) (resid 11 and name HD22) 3.726 1.735 3.235 weight 1.000 ! spec=HNH, no=1021, id=857, vol=5.680000e+05
or (resid 10 and name HN) (resid 11 and name HD21)
or (resid 10 and name HN) (resid 11 and name HD23)
assign (resid 58 and name HN) (resid 55 and name HN) 3.327 1.384 2.884 weight 1.000 ! spec=HNH, no=1026, id=862, vol=1.120000e+06
assign (resid 55 and name HN) (resid 58 and name HD1) 3.845 1.848 3.348 weight 1.000 ! spec=HNH, no=1029, id=864, vol=4.700000e+05
or (resid 55 and name HN) (resid 58 and name HD2)
assign (resid 55 and name HN) (resid 54 and name HA) 3.289 1.352 2.852 weight 1.000 ! spec=HNH, no=1033, id=868, vol=1.200000e+06
assign (resid 55 and name HN) (resid 51 and name HA) 3.945 1.946 3.446 weight 1.000 ! spec=HNH, no=1034, id=869, vol=4.030000e+05
assign (resid 55 and name HN) (resid 56 and name HA) 3.936 1.936 3.436 weight 1.000 ! spec=HNH, no=1035, id=870, vol=4.090000e+05
assign (resid 55 and name HN) (resid 52 and name HA2) 3.960 1.960 3.46 weight 1.000 ! spec=HNH, no=1036, id=871, vol=3.940000e+05
assign (resid 55 and name HN) (resid 58 and name HB1) 4.111 2.112 3.612 weight 1.000 ! spec=HNH, no=1038, id=873, vol=3.150000e+05
assign (resid 55 and name HN) (resid 54 and name HD1) 3.981 1.981 3.481 weight 1.000 ! spec=HNH, no=1039, id=874, vol=3.820000e+05
assign (resid 55 and name HN) (resid 53 and name HB2) 4.041 2.041 3.541 weight 1.000 ! spec=HNH, no=1040, id=875, vol=3.490000e+05
assign (resid 55 and name HN) (resid 53 and name HB1) 4.168 2.171 3.671 weight 1.000 ! spec=HNH, no=1041, id=876, vol=2.900000e+05
assign (resid 10 and name HN) (resid 8 and name HB2) 3.984 1.984 3.484 weight 1.000 ! spec=HNH, no=1042, id=877, vol=3.800000e+05
assign (resid 10 and name HN) (resid 11 and name HB2) 3.145 1.237 2.737 weight 1.000 ! spec=HNH, no=1043, id=878, vol=1.570000e+06
assign (resid 55 and name HN) (resid 55 and name HB) 2.539 0.806 2.306 weight 1.000 ! spec=HNH, no=1044, id=879, vol=5.670000e+06
assign (resid 55 and name HN) (resid 56 and name HB2) 3.337 1.392 2.892 weight 1.000 ! spec=HNH, no=1046, id=881, vol=1.100000e+06
or (resid 55 and name HN) (resid 56 and name HB1)
or (resid 55 and name HN) (resid 56 and name HB3)
assign (resid 81 and name HE3) (resid 71 and name HB2) 3.810 1.814 3.314 weight 1.000 ! spec=HNH, no=1047, id=882, vol=4.970000e+05
assign (resid 55 and name HN) (resid 51 and name HB1) 3.723 1.732 3.232 weight 1.000 ! spec=HNH, no=1049, id=884, vol=5.710000e+05
assign (resid 55 and name HN) (resid 55 and name HG22) 2.897 1.049 2.549 weight 1.000 ! spec=HNH, no=1051, id=886, vol=2.570000e+06
or (resid 55 and name HN) (resid 55 and name HG21)
or (resid 55 and name HN) (resid 55 and name HG23)
assign (resid 55 and name HN) (resid 53 and name HN) 4.284 2.294 3.794 weight 1.000 ! spec=HNH, no=1060, id=895, vol=2.460000e+05
assign (resid 19 and name HN) (resid 17 and name HA) 4.332 2.346 3.846 weight 1.000 ! spec=HNH, no=1065, id=899, vol=2.300000e+05
assign (resid 19 and name HN) (resid 18 and name HG1) 3.594 1.615 3.115 weight 1.000 ! spec=HNH, no=1070, id=904, vol=7.050000e+05
assign (resid 19 and name HN) (resid 17 and name HG22) 3.506 1.536 3.036 weight 1.000 ! spec=HNH, no=1077, id=911, vol=8.190000e+05
or (resid 19 and name HN) (resid 17 and name HG21)
or (resid 19 and name HN) (resid 17 and name HG23)
or (resid 19 and name HN) (resid 17 and name HG12)
or (resid 19 and name HN) (resid 17 and name HG11)
or (resid 19 and name HN) (resid 17 and name HG13)
assign (resid 19 and name HN) (resid 16 and name HD22) 3.533 1.561 3.061 weight 1.000 ! spec=HNH, no=1080, id=914, vol=7.810000e+05
or (resid 19 and name HN) (resid 16 and name HD21)
or (resid 19 and name HN) (resid 16 and name HD23)
assign (resid 6 and name HN) (resid 4 and name HN) 3.396 1.442 2.942 weight 1.000 ! spec=HNH, no=1081, id=915, vol=9.910000e+05
assign (resid 6 and name HN) (resid 11 and name HN) 3.841 1.845 3.345 weight 1.000 ! spec=HNH, no=1082, id=916, vol=4.730000e+05
assign (resid 6 and name HN) (resid 5 and name HN) 2.328 0.678 2.178 weight 1.000 ! spec=HNH, no=1083, id=917, vol=9.540000e+06
assign (resid 6 and name HN) (resid 6 and name HD1) 2.632 0.866 2.366 weight 1.000 ! spec=HNH, no=1085, id=918, vol=4.570000e+06
or (resid 6 and name HN) (resid 6 and name HD2)
assign (resid 6 and name HN) (resid 6 and name HE1) 3.139 1.231 2.731 weight 1.000 ! spec=HNH, no=1086, id=919, vol=1.590000e+06
or (resid 6 and name HN) (resid 6 and name HE2)
assign (resid 6 and name HN) (resid 6 and name HA) 2.689 0.904 2.404 weight 1.000 ! spec=HNH, no=1087, id=920, vol=4.020000e+06
assign (resid 76 and name HE3) (resid 69 and name HA) 3.848 1.851 3.351 weight 1.000 ! spec=HNH, no=1088, id=921, vol=4.680000e+05
assign (resid 6 and name HN) (resid 5 and name HA) 2.617 0.856 2.356 weight 1.000 ! spec=HNH, no=1089, id=922, vol=4.730000e+06
assign (resid 6 and name HN) (resid 2 and name HA1) 3.528 1.556 3.056 weight 1.000 ! spec=HNH, no=1090, id=923, vol=7.880000e+05
assign (resid 6 and name HN) (resid 5 and name HB2) 2.827 0.999 2.499 weight 1.000 ! spec=HNH, no=1094, id=927, vol=2.980000e+06
or (resid 6 and name HN) (resid 5 and name HB1)
assign (resid 6 and name HN) (resid 5 and name HG1) 2.930 1.073 2.573 weight 1.000 ! spec=HNH, no=1096, id=929, vol=2.400000e+06
assign (resid 6 and name HN) (resid 11 and name HG) 3.299 1.360 2.86 weight 1.000 ! spec=HNH, no=1097, id=930, vol=1.180000e+06
assign (resid 14 and name HN) (resid 11 and name HN) 3.566 1.590 3.09 weight 1.000 ! spec=HNH, no=1101, id=934, vol=7.390000e+05
assign (resid 14 and name HN) (resid 14 and name HA) 2.716 0.922 2.422 weight 1.000 ! spec=HNH, no=1104, id=936, vol=3.790000e+06
assign (resid 14 and name HN) (resid 12 and name HA) 3.049 1.162 2.662 weight 1.000 ! spec=HNH, no=1105, id=937, vol=1.890000e+06
assign (resid 14 and name HN) (resid 14 and name HB2) 2.328 0.677 2.177 weight 1.000 ! spec=HNH, no=1108, id=940, vol=9.550000e+06
or (resid 14 and name HN) (resid 14 and name HB1)
assign (resid 14 and name HN) (resid 11 and name HB1) 4.119 2.121 3.621 weight 1.000 ! spec=HNH, no=1112, id=944, vol=3.110000e+05
assign (resid 14 and name HN) (resid 12 and name HN) 3.250 1.320 2.82 weight 1.000 ! spec=HNH, no=1113, id=945, vol=1.290000e+06
assign (resid 81 and name HN) (resid 82 and name HN) 2.474 0.765 2.265 weight 1.000 ! spec=HNH, no=1117, id=949, vol=6.630000e+06
assign (resid 81 and name HN) (resid 82 and name HA) 3.707 1.717 3.217 weight 1.000 ! spec=HNH, no=1122, id=952, vol=5.860000e+05
assign (resid 81 and name HN) (resid 78 and name HA) 3.904 1.906 3.406 weight 1.000 ! spec=HNH, no=1125, id=955, vol=4.290000e+05
assign (resid 81 and name HN) (resid 79 and name HA) 3.480 1.514 3.014 weight 1.000 ! spec=HNH, no=1128, id=958, vol=8.550000e+05
assign (resid 81 and name HN) (resid 81 and name HB2) 2.831 1.002 2.502 weight 1.000 ! spec=HNH, no=1130, id=960, vol=2.950000e+06
assign (resid 81 and name HN) (resid 81 and name HB1) 2.924 1.069 2.569 weight 1.000 ! spec=HNH, no=1131, id=961, vol=2.430000e+06
assign (resid 81 and name HN) (resid 78 and name HB2) 3.353 1.405 2.905 weight 1.000 ! spec=HNH, no=1133, id=963, vol=1.070000e+06
assign (resid 81 and name HN) (resid 78 and name HD12) 3.454 1.491 2.991 weight 1.000 ! spec=HNH, no=1134, id=964, vol=8.950000e+05
or (resid 81 and name HN) (resid 78 and name HD11)
or (resid 81 and name HN) (resid 78 and name HD13)
assign (resid 81 and name HN) (resid 78 and name HG) 3.967 1.967 3.467 weight 1.000 ! spec=HNH, no=1135, id=965, vol=3.900000e+05
assign (resid 81 and name HN) (resid 78 and name HD22) 3.821 1.825 3.325 weight 1.000 ! spec=HNH, no=1136, id=966, vol=4.880000e+05
or (resid 81 and name HN) (resid 78 and name HD21)
or (resid 81 and name HN) (resid 78 and name HD23)
assign (resid 20 and name HN) (resid 18 and name HN) 3.173 1.258 2.758 weight 1.000 ! spec=HNH, no=1138, id=968, vol=1.490000e+06
assign (resid 18 and name HN) (resid 22 and name HN) 4.234 2.240 3.74 weight 1.000 ! spec=HNH, no=1140, id=970, vol=2.640000e+05
assign (resid 19 and name HN) (resid 18 and name HN) 2.659 0.884 2.384 weight 1.000 ! spec=HNH, no=1141, id=971, vol=4.300000e+06
assign (resid 18 and name HN) (resid 15 and name HA) 3.716 1.726 3.226 weight 1.000 ! spec=HNH, no=1145, id=974, vol=5.770000e+05
assign (resid 18 and name HN) (resid 17 and name HA) 3.229 1.304 2.804 weight 1.000 ! spec=HNH, no=1147, id=976, vol=1.340000e+06
assign (resid 18 and name HN) (resid 18 and name HG1) 2.851 1.016 2.516 weight 1.000 ! spec=HNH, no=1153, id=981, vol=2.830000e+06
assign (resid 18 and name HN) (resid 14 and name HB2) 3.543 1.569 3.069 weight 1.000 ! spec=HNH, no=1156, id=984, vol=7.690000e+05
or (resid 18 and name HN) (resid 14 and name HB1)
assign (resid 18 and name HN) (resid 19 and name HB) 3.425 1.466 2.966 weight 1.000 ! spec=HNH, no=1157, id=985, vol=9.420000e+05
assign (resid 18 and name HN) (resid 19 and name HG12) 3.303 1.364 2.864 weight 1.000 ! spec=HNH, no=1158, id=986, vol=1.170000e+06
assign (resid 18 and name HN) (resid 17 and name HG22) 2.657 0.882 2.382 weight 1.000 ! spec=HNH, no=1160, id=988, vol=4.320000e+06
or (resid 18 and name HN) (resid 17 and name HG21)
or (resid 18 and name HN) (resid 17 and name HG23)
or (resid 18 and name HN) (resid 17 and name HG12)
or (resid 18 and name HN) (resid 17 and name HG11)
or (resid 18 and name HN) (resid 17 and name HG13)
assign (resid 18 and name HN) (resid 19 and name HD12) 3.221 1.297 2.797 weight 1.000 ! spec=HNH, no=1161, id=989, vol=1.360000e+06
or (resid 18 and name HN) (resid 19 and name HD11)
or (resid 18 and name HN) (resid 19 and name HD13)
assign (resid 18 and name HN) (resid 16 and name HD22) 3.751 1.758 3.258 weight 1.000 ! spec=HNH, no=1162, id=990, vol=5.460000e+05
or (resid 18 and name HN) (resid 16 and name HD21)
or (resid 18 and name HN) (resid 16 and name HD23)
assign (resid 18 and name HN) (resid 40 and name HD12) 4.301 2.313 3.813 weight 1.000 ! spec=HNH, no=1163, id=991, vol=2.400000e+05
or (resid 18 and name HN) (resid 40 and name HD11)
or (resid 18 and name HN) (resid 40 and name HD13)
assign (resid 15 and name HN) (resid 16 and name HN) 3.098 1.200 2.7 weight 1.000 ! spec=HNH, no=1165, id=992, vol=1.720000e+06
assign (resid 14 and name HN) (resid 15 and name HN) 3.155 1.245 2.745 weight 1.000 ! spec=HNH, no=1166, id=993, vol=1.540000e+06
assign (resid 15 and name HN) (resid 18 and name HN) 3.489 1.521 3.021 weight 1.000 ! spec=HNH, no=1167, id=994, vol=8.430000e+05
assign (resid 15 and name HN) (resid 19 and name HN) 4.190 2.194 3.694 weight 1.000 ! spec=HNH, no=1168, id=995, vol=2.810000e+05
assign (resid 15 and name HN) (resid 18 and name HA) 4.083 2.084 3.584 weight 1.000 ! spec=HNH, no=1172, id=999, vol=3.280000e+05
assign (resid 15 and name HN) (resid 18 and name HG2) 3.089 1.193 2.693 weight 1.000 ! spec=HNH, no=1173, id=1000, vol=1.750000e+06
assign (resid 15 and name HN) (resid 18 and name HG1) 3.397 1.442 2.942 weight 1.000 ! spec=HNH, no=1175, id=1002, vol=9.890000e+05
assign (resid 15 and name HN) (resid 18 and name HB2) 3.348 1.401 2.901 weight 1.000 ! spec=HNH, no=1176, id=1003, vol=1.080000e+06
assign (resid 15 and name HN) (resid 18 and name HB1) 3.348 1.401 2.901 weight 1.000 ! spec=HNH, no=1177, id=1004, vol=1.080000e+06
assign (resid 15 and name HN) (resid 19 and name HG12) 3.611 1.630 3.13 weight 1.000 ! spec=HNH, no=1180, id=1007, vol=6.860000e+05
assign (resid 15 and name HN) (resid 17 and name HG22) 3.546 1.571 3.071 weight 1.000 ! spec=HNH, no=1182, id=1009, vol=7.650000e+05
or (resid 15 and name HN) (resid 17 and name HG21)
or (resid 15 and name HN) (resid 17 and name HG23)
or (resid 15 and name HN) (resid 17 and name HG12)
or (resid 15 and name HN) (resid 17 and name HG11)
or (resid 15 and name HN) (resid 17 and name HG13)
assign (resid 15 and name HN) (resid 19 and name HD12) 3.519 1.548 3.048 weight 1.000 ! spec=HNH, no=1183, id=1010, vol=8.010000e+05
or (resid 15 and name HN) (resid 19 and name HD11)
or (resid 15 and name HN) (resid 19 and name HD13)
assign (resid 71 and name HN) (resid 69 and name HA) 4.135 2.137 3.637 weight 1.000 ! spec=HNH, no=1210, id=1014, vol=3.040000e+05
assign (resid 71 and name HN) (resid 71 and name HB2) 3.267 1.334 2.834 weight 1.000 ! spec=HNH, no=1212, id=1016, vol=1.250000e+06
assign (resid 71 and name HN) (resid 71 and name HB1) 3.436 1.476 2.976 weight 1.000 ! spec=HNH, no=1213, id=1017, vol=9.240000e+05
assign (resid 71 and name HN) (resid 75 and name HG21) 3.997 1.997 3.497 weight 1.000 ! spec=HNH, no=1215, id=1019, vol=3.730000e+05
or (resid 71 and name HN) (resid 75 and name HG22)
or (resid 71 and name HN) (resid 75 and name HG23)
assign (resid 71 and name HN) (resid 71 and name HD12) 3.166 1.253 2.753 weight 1.000 ! spec=HNH, no=1216, id=1020, vol=1.510000e+06
or (resid 71 and name HN) (resid 71 and name HD11)
or (resid 71 and name HN) (resid 71 and name HD13)
assign (resid 71 and name HN) (resid 70 and name HB2) 3.001 1.126 2.626 weight 1.000 ! spec=HNH, no=1218, id=1022, vol=2.080000e+06
or (resid 71 and name HN) (resid 70 and name HB1)
or (resid 71 and name HN) (resid 70 and name HB3)
assign (resid 65 and name HN) (resid 64 and name HN) 2.941 1.081 2.581 weight 1.000 ! spec=HNH, no=1221, id=1024, vol=2.350000e+06
assign (resid 65 and name HN) (resid 65 and name HB2) 3.176 1.261 2.761 weight 1.000 ! spec=HNH, no=1225, id=1028, vol=1.480000e+06
assign (resid 65 and name HN) (resid 64 and name HG22) 3.653 1.668 3.168 weight 1.000 ! spec=HNH, no=1227, id=1030, vol=6.400000e+05
or (resid 65 and name HN) (resid 64 and name HG21)
or (resid 65 and name HN) (resid 64 and name HG23)
assign (resid 65 and name HN) (resid 64 and name HG12) 3.577 1.599 3.099 weight 1.000 ! spec=HNH, no=1228, id=1031, vol=7.260000e+05
assign (resid 65 and name HN) (resid 87 and name HD22) 4.147 2.149 3.649 weight 1.000 ! spec=HNH, no=1229, id=1032, vol=2.990000e+05
or (resid 65 and name HN) (resid 87 and name HD21)
or (resid 65 and name HN) (resid 87 and name HD23)
assign (resid 43 and name HN) (resid 41 and name HN) 3.733 1.742 3.242 weight 1.000 ! spec=HNH, no=1230, id=1033, vol=5.620000e+05
assign (resid 43 and name HN) (resid 42 and name HA) 3.086 1.190 2.69 weight 1.000 ! spec=HNH, no=1234, id=1036, vol=1.760000e+06
assign (resid 43 and name HN) (resid 42 and name HB2) 2.672 0.892 2.392 weight 1.000 ! spec=HNH, no=1236, id=1038, vol=4.180000e+06
or (resid 43 and name HN) (resid 42 and name HB1)
assign (resid 43 and name HN) (resid 41 and name HA) 3.858 1.860 3.36 weight 1.000 ! spec=HNH, no=1237, id=1039, vol=4.610000e+05
assign (resid 43 and name HN) (resid 45 and name HA2) 4.030 2.030 3.53 weight 1.000 ! spec=HNH, no=1238, id=1040, vol=3.550000e+05
assign (resid 43 and name HN) (resid 43 and name HB1) 2.710 0.918 2.418 weight 1.000 ! spec=HNH, no=1246, id=1048, vol=3.840000e+06
assign (resid 43 and name HN) (resid 41 and name HB2) 3.503 1.534 3.034 weight 1.000 ! spec=HNH, no=1247, id=1049, vol=8.220000e+05
or (resid 43 and name HN) (resid 41 and name HB1)
or (resid 43 and name HN) (resid 41 and name HB3)
assign (resid 43 and name HN) (resid 43 and name HD22) 2.647 0.876 2.376 weight 1.000 ! spec=HNH, no=1248, id=1050, vol=4.420000e+06
or (resid 43 and name HN) (resid 43 and name HD21)
or (resid 43 and name HN) (resid 43 and name HD23)
or (resid 43 and name HN) (resid 43 and name HD12)
or (resid 43 and name HN) (resid 43 and name HD11)
or (resid 43 and name HN) (resid 43 and name HD13)
assign (resid 36 and name HN) (resid 38 and name HN) 3.013 1.135 2.635 weight 1.000 ! spec=HNH, no=1254, id=1055, vol=2.030000e+06
assign (resid 36 and name HN) (resid 35 and name HN) 2.613 0.854 2.354 weight 1.000 ! spec=HNH, no=1255, id=1056, vol=4.770000e+06
assign (resid 36 and name HN) (resid 58 and name HE1) 4.292 2.303 3.803 weight 1.000 ! spec=HNH, no=1256, id=1057, vol=2.430000e+05
or (resid 36 and name HN) (resid 58 and name HE2)
assign (resid 36 and name HN) (resid 36 and name HA) 2.909 1.058 2.558 weight 1.000 ! spec=HNH, no=1257, id=1058, vol=2.510000e+06
assign (resid 36 and name HN) (resid 34 and name HA) 3.862 1.864 3.364 weight 1.000 ! spec=HNH, no=1258, id=1059, vol=4.580000e+05
assign (resid 36 and name HN) (resid 37 and name HA) 3.969 1.969 3.469 weight 1.000 ! spec=HNH, no=1259, id=1060, vol=3.890000e+05
assign (resid 36 and name HN) (resid 32 and name HB2) 4.047 2.047 3.547 weight 1.000 ! spec=HNH, no=1260, id=1061, vol=3.460000e+05
assign (resid 36 and name HN) (resid 35 and name HG1) 3.217 1.294 2.794 weight 1.000 ! spec=HNH, no=1261, id=1062, vol=1.370000e+06
assign (resid 36 and name HN) (resid 31 and name HB) 3.258 1.327 2.827 weight 1.000 ! spec=HNH, no=1262, id=1063, vol=1.270000e+06
assign (resid 36 and name HN) (resid 36 and name HB1) 2.768 0.958 2.458 weight 1.000 ! spec=HNH, no=1265, id=1066, vol=3.380000e+06
assign (resid 36 and name HN) (resid 37 and name HB2) 3.650 1.665 3.165 weight 1.000 ! spec=HNH, no=1267, id=1068, vol=6.430000e+05
assign (resid 36 and name HN) (resid 37 and name HB1) 3.606 1.626 3.126 weight 1.000 ! spec=HNH, no=1268, id=1069, vol=6.910000e+05
assign (resid 36 and name HN) (resid 31 and name HG22) 2.879 1.036 2.536 weight 1.000 ! spec=HNH, no=1269, id=1070, vol=2.670000e+06
or (resid 36 and name HN) (resid 31 and name HG21)
or (resid 36 and name HN) (resid 31 and name HG23)
assign (resid 56 and name HN) (resid 55 and name HN) 2.762 0.954 2.454 weight 1.000 ! spec=HNH, no=1274, id=1075, vol=3.420000e+06
assign (resid 125 and name HN) (resid 124 and name HA) 2.030 0.515 2.015 weight 1.000 ! spec=HNH, no=1276, id=1077, vol=2.170000e+07
assign (resid 79 and name HN) (resid 78 and name HN) 3.399 1.444 2.944 weight 1.000 ! spec=HNH, no=1278, id=1079, vol=9.860000e+05
assign (resid 56 and name HN) (resid 55 and name HB) 2.645 0.874 2.374 weight 1.000 ! spec=HNH, no=1282, id=1083, vol=4.440000e+06
assign (resid 56 and name HN) (resid 37 and name HD22) 3.467 1.503 3.003 weight 1.000 ! spec=HNH, no=1287, id=1088, vol=8.750000e+05
or (resid 56 and name HN) (resid 37 and name HD21)
or (resid 56 and name HN) (resid 37 and name HD23)
or (resid 56 and name HN) (resid 37 and name HD12)
or (resid 56 and name HN) (resid 37 and name HD11)
or (resid 56 and name HN) (resid 37 and name HD13)
assign (resid 79 and name HN) (resid 78 and name HG) 3.835 1.838 3.338 weight 1.000 ! spec=HNH, no=1289, id=1090, vol=4.780000e+05
assign (resid 153 and name HN) (resid 153 and name HG22) 3.077 1.184 2.684 weight 1.000 ! spec=HNH, no=1290, id=1091, vol=1.790000e+06
or (resid 153 and name HN) (resid 153 and name HG21)
or (resid 153 and name HN) (resid 153 and name HG23)
assign (resid 112 and name HN) (resid 115 and name HN) 2.270 0.644 2.144 weight 1.000 ! spec=HNH, no=1295, id=1095, vol=1.110000e+07
assign (resid 112 and name HN) (resid 111 and name HA) 1.690 0.357 1.857 weight 1.000 ! spec=HNH, no=1298, id=1098, vol=6.520000e+07
assign (resid 110 and name HN) (resid 108 and name HG2) 3.403 1.448 2.948 weight 1.000 ! spec=HNH, no=1313, id=1107, vol=9.780000e+05
or (resid 110 and name HN) (resid 108 and name HG1)
assign (resid 110 and name HN) (resid 108 and name HB2) 3.385 1.432 2.932 weight 1.000 ! spec=HNH, no=1314, id=1108, vol=1.010000e+06
assign (resid 110 and name HN) (resid 108 and name HB1) 3.229 1.304 2.804 weight 1.000 ! spec=HNH, no=1315, id=1109, vol=1.340000e+06
assign (resid 38 and name HD21) (resid 39 and name HN) 3.184 1.267 2.767 weight 1.000 ! spec=HNH, no=1320, id=1113, vol=1.460000e+06
assign (resid 39 and name HN) (resid 38 and name HN) 2.696 0.908 2.408 weight 1.000 ! spec=HNH, no=1321, id=1114, vol=3.960000e+06
assign (resid 128 and name HN) (resid 127 and name HA) 1.828 0.417 1.917 weight 1.000 ! spec=HNH, no=1323, id=1116, vol=4.080000e+07
assign (resid 39 and name HN) (resid 37 and name HA) 3.512 1.542 3.042 weight 1.000 ! spec=HNH, no=1325, id=1118, vol=8.100000e+05
assign (resid 39 and name HN) (resid 38 and name HB2) 2.749 0.945 2.445 weight 1.000 ! spec=HNH, no=1326, id=1119, vol=3.520000e+06
assign (resid 39 and name HN) (resid 38 and name HB1) 3.011 1.133 2.633 weight 1.000 ! spec=HNH, no=1327, id=1120, vol=2.040000e+06
assign (resid 128 and name HN) (resid 127 and name HG2) 2.801 0.980 2.48 weight 1.000 ! spec=HNH, no=1329, id=1122, vol=3.150000e+06
or (resid 128 and name HN) (resid 127 and name HG1)
assign (resid 157 and name HN) (resid 157 and name HB) 2.223 0.618 2.118 weight 1.000 ! spec=HNH, no=1331, id=1124, vol=1.260000e+07
assign (resid 39 and name HN) (resid 40 and name HB) 3.233 1.307 2.807 weight 1.000 ! spec=HNH, no=1332, id=1125, vol=1.330000e+06
assign (resid 39 and name HN) (resid 37 and name HB1) 3.677 1.690 3.19 weight 1.000 ! spec=HNH, no=1333, id=1126, vol=6.150000e+05
assign (resid 108 and name HN) (resid 108 and name HB1) 2.247 0.631 2.131 weight 1.000 ! spec=HNH, no=1341, id=1133, vol=1.180000e+07
assign (resid 90 and name HN) (resid 89 and name HA) 1.927 0.464 1.964 weight 1.000 ! spec=HNH, no=1345, id=1137, vol=2.970000e+07
assign (resid 90 and name HN) (resid 89 and name HB2) 2.453 0.752 2.252 weight 1.000 ! spec=HNH, no=1349, id=1141, vol=6.980000e+06
assign (resid 88 and name HN) (resid 84 and name HB1) 3.396 1.442 2.942 weight 1.000 ! spec=HNH, no=1352, id=1144, vol=9.910000e+05
assign (resid 16 and name HN) (resid 17 and name HN) 2.848 1.014 2.514 weight 1.000 ! spec=HNH, no=1355, id=1147, vol=2.850000e+06
assign (resid 18 and name HN) (resid 16 and name HN) 3.407 1.451 2.951 weight 1.000 ! spec=HNH, no=1359, id=1151, vol=9.710000e+05
assign (resid 19 and name HN) (resid 16 and name HN) 3.984 1.984 3.484 weight 1.000 ! spec=HNH, no=1360, id=1152, vol=3.800000e+05
assign (resid 16 and name HN) (resid 58 and name HE1) 3.789 1.794 3.294 weight 1.000 ! spec=HNH, no=1361, id=1153, vol=5.140000e+05
or (resid 16 and name HN) (resid 58 and name HE2)
assign (resid 16 and name HN) (resid 15 and name HA) 1.765 0.390 1.89 weight 1.000 ! spec=HNH, no=1362, id=1154, vol=5.020000e+07
assign (resid 131 and name HN) (resid 131 and name HG2) 2.600 0.845 2.345 weight 1.000 ! spec=HNH, no=1367, id=1159, vol=4.920000e+06
or (resid 131 and name HN) (resid 131 and name HG1)
assign (resid 16 and name HN) (resid 16 and name HB2) 2.819 0.993 2.493 weight 1.000 ! spec=HNH, no=1368, id=1160, vol=3.030000e+06
assign (resid 16 and name HN) (resid 15 and name HB2) 2.556 0.817 2.317 weight 1.000 ! spec=HNH, no=1369, id=1161, vol=5.450000e+06
or (resid 16 and name HN) (resid 15 and name HB1)
or (resid 16 and name HN) (resid 15 and name HB3)
assign (resid 16 and name HN) (resid 16 and name HG) 2.623 0.860 2.36 weight 1.000 ! spec=HNH, no=1370, id=1162, vol=4.670000e+06
assign (resid 16 and name HN) (resid 17 and name HG22) 3.176 1.261 2.761 weight 1.000 ! spec=HNH, no=1376, id=1168, vol=1.480000e+06
or (resid 16 and name HN) (resid 17 and name HG21)
or (resid 16 and name HN) (resid 17 and name HG23)
or (resid 16 and name HN) (resid 17 and name HG12)
or (resid 16 and name HN) (resid 17 and name HG11)
or (resid 16 and name HN) (resid 17 and name HG13)
assign (resid 16 and name HN) (resid 16 and name HD12) 2.773 0.961 2.461 weight 1.000 ! spec=HNH, no=1379, id=1171, vol=3.340000e+06
or (resid 16 and name HN) (resid 16 and name HD11)
or (resid 16 and name HN) (resid 16 and name HD13)
assign (resid 63 and name HN) (resid 63 and name HB2) 2.808 0.986 2.486 weight 1.000 ! spec=HNH, no=1398, id=1188, vol=3.100000e+06
assign (resid 63 and name HN) (resid 63 and name HB1) 2.817 0.992 2.492 weight 1.000 ! spec=HNH, no=1399, id=1189, vol=3.040000e+06
assign (resid 63 and name HN) (resid 64 and name HG11) 3.716 1.726 3.226 weight 1.000 ! spec=HNH, no=1400, id=1190, vol=5.770000e+05
assign (resid 63 and name HN) (resid 60 and name HG21) 3.738 1.747 3.247 weight 1.000 ! spec=HNH, no=1401, id=1191, vol=5.570000e+05
or (resid 63 and name HN) (resid 60 and name HG22)
or (resid 63 and name HN) (resid 60 and name HG23)
assign (resid 63 and name HN) (resid 17 and name HG22) 4.137 2.140 3.64 weight 1.000 ! spec=HNH, no=1402, id=1192, vol=3.030000e+05
or (resid 63 and name HN) (resid 17 and name HG21)
or (resid 63 and name HN) (resid 17 and name HG23)
or (resid 63 and name HN) (resid 17 and name HG12)
or (resid 63 and name HN) (resid 17 and name HG11)
or (resid 63 and name HN) (resid 17 and name HG13)
assign (resid 63 and name HN) (resid 64 and name HG22) 3.655 1.669 3.169 weight 1.000 ! spec=HNH, no=1403, id=1193, vol=6.380000e+05
or (resid 63 and name HN) (resid 64 and name HG21)
or (resid 63 and name HN) (resid 64 and name HG23)
assign (resid 63 and name HN) (resid 64 and name HD12) 3.962 1.962 3.462 weight 1.000 ! spec=HNH, no=1404, id=1194, vol=3.930000e+05
or (resid 63 and name HN) (resid 64 and name HD11)
or (resid 63 and name HN) (resid 64 and name HD13)
assign (resid 152 and name HN) (resid 154 and name HN) 2.453 0.752 2.252 weight 1.000 ! spec=HNH, no=1409, id=1199, vol=6.980000e+06
assign (resid 152 and name HN) (resid 152 and name HA) 1.998 0.499 1.999 weight 1.000 ! spec=HNH, no=1414, id=1204, vol=2.390000e+07
assign (resid 113 and name HN) (resid 115 and name HB1) 3.276 1.341 2.841 weight 1.000 ! spec=HNH, no=1420, id=1210, vol=1.230000e+06
assign (resid 127 and name HN) (resid 126 and name HB1) 2.291 0.656 2.156 weight 1.000 ! spec=HNH, no=1423, id=1213, vol=1.050000e+07
assign (resid 40 and name HN) (resid 40 and name HB) 2.636 0.869 2.369 weight 1.000 ! spec=HNH, no=1430, id=1220, vol=4.530000e+06
assign (resid 89 and name HN) (resid 89 and name HG2) 2.958 1.094 2.594 weight 1.000 ! spec=HNH, no=1431, id=1221, vol=2.270000e+06
or (resid 89 and name HN) (resid 89 and name HG1)
assign (resid 149 and name HN) (resid 57 and name HG1) 3.358 1.410 2.91 weight 1.000 ! spec=HNH, no=1432, id=1222, vol=1.060000e+06
assign (resid 40 and name HN) (resid 40 and name HG11) 2.697 0.909 2.409 weight 1.000 ! spec=HNH, no=1434, id=1224, vol=3.950000e+06
assign (resid 40 and name HN) (resid 23 and name HD22) 2.779 0.965 2.465 weight 1.000 ! spec=HNH, no=1435, id=1225, vol=3.300000e+06
or (resid 40 and name HN) (resid 23 and name HD21)
or (resid 40 and name HN) (resid 23 and name HD23)
assign (resid 85 and name HN) (resid 86 and name HE21) 3.501 1.532 3.032 weight 1.000 ! spec=HNH, no=1437, id=1227, vol=8.260000e+05
assign (resid 11 and name HN) (resid 9 and name HB2) 3.385 1.432 2.932 weight 1.000 ! spec=HNH, no=1445, id=1234, vol=1.010000e+06
assign (resid 108 and name HN) (resid 108 and name HG2) 2.618 0.857 2.357 weight 1.000 ! spec=HNH, no=1446, id=1235, vol=4.720000e+06
or (resid 108 and name HN) (resid 108 and name HG1)
assign (resid 79 and name HN) (resid 69 and name HN) 3.412 1.455 2.955 weight 1.000 ! spec=HNH, no=1448, id=1237, vol=9.630000e+05
assign (resid 79 and name HN) (resid 78 and name HB1) 3.623 1.641 3.141 weight 1.000 ! spec=HNH, no=1455, id=1243, vol=6.720000e+05
assign (resid 73 and name HN) (resid 72 and name HB1) 3.113 1.211 2.711 weight 1.000 ! spec=HNH, no=1456, id=1244, vol=1.670000e+06
assign (resid 52 and name HN) (resid 48 and name HA) 3.701 1.713 3.213 weight 1.000 ! spec=HNH, no=1478, id=1248, vol=5.910000e+05
assign (resid 86 and name HE21) (resid 86 and name HA) 3.652 1.667 3.167 weight 1.000 ! spec=HNH, no=1485, id=1252, vol=6.410000e+05
assign (resid 38 and name HD21) (resid 48 and name HD2) 3.969 1.969 3.469 weight 1.000 ! spec=HNH, no=1489, id=1256, vol=3.890000e+05
or (resid 38 and name HD21) (resid 48 and name HD1)
assign (resid 5 and name HE21) (resid 4 and name HA) 3.738 1.747 3.247 weight 1.000 ! spec=HNH, no=1493, id=1259, vol=5.570000e+05
assign (resid 31 and name HN) (resid 76 and name HB2) 3.895 1.897 3.397 weight 1.000 ! spec=HNH, no=1501, id=1260, vol=4.350000e+05
or (resid 31 and name HN) (resid 76 and name HB1)
assign (resid 31 and name HN) (resid 77 and name HA1) 4.140 2.142 3.642 weight 1.000 ! spec=HNH, no=1503, id=1262, vol=3.020000e+05
assign (resid 31 and name HN) (resid 32 and name HD2) 4.472 2.500 4 weight 1.000 ! spec=HNH, no=1504, id=1263, vol=1.900000e+05
assign (resid 31 and name HN) (resid 81 and name HZ3) 4.165 2.169 3.669 weight 1.000 ! spec=HNH, no=1505, id=1264, vol=2.910000e+05
assign (resid 31 and name HN) (resid 76 and name HD1) 4.662 2.717 4.217 weight 1.000 ! spec=HNH, no=1508, id=1267, vol=1.480000e+05
assign (resid 21 and name HN) (resid 20 and name HA) 3.543 1.569 3.069 weight 1.000 ! spec=HNH, no=1509, id=1268, vol=7.680000e+05
assign (resid 21 and name HN) (resid 21 and name HA) 2.893 1.047 2.547 weight 1.000 ! spec=HNH, no=1511, id=1270, vol=2.590000e+06
assign (resid 21 and name HN) (resid 22 and name HG2) 3.871 1.873 3.373 weight 1.000 ! spec=HNH, no=1512, id=1271, vol=4.520000e+05
assign (resid 21 and name HN) (resid 18 and name HB2) 3.712 1.722 3.222 weight 1.000 ! spec=HNH, no=1513, id=1272, vol=5.810000e+05
assign (resid 21 and name HN) (resid 17 and name HG22) 3.614 1.633 3.133 weight 1.000 ! spec=HNH, no=1514, id=1273, vol=6.820000e+05
or (resid 21 and name HN) (resid 17 and name HG21)
or (resid 21 and name HN) (resid 17 and name HG23)
or (resid 21 and name HN) (resid 17 and name HG12)
or (resid 21 and name HN) (resid 17 and name HG11)
or (resid 21 and name HN) (resid 17 and name HG13)
assign (resid 21 and name HN) (resid 78 and name HD12) 4.338 2.353 3.853 weight 1.000 ! spec=HNH, no=1518, id=1277, vol=2.280000e+05
or (resid 21 and name HN) (resid 78 and name HD11)
or (resid 21 and name HN) (resid 78 and name HD13)
assign (resid 27 and name HN) (resid 31 and name HG22) 4.045 2.045 3.545 weight 1.000 ! spec=HNH, no=1520, id=1279, vol=3.470000e+05
or (resid 27 and name HN) (resid 31 and name HG21)
or (resid 27 and name HN) (resid 31 and name HG23)
assign (resid 27 and name HN) (resid 28 and name HB2) 3.855 1.858 3.358 weight 1.000 ! spec=HNH, no=1522, id=1281, vol=4.630000e+05
assign (resid 27 and name HN) (resid 25 and name HG2) 4.133 2.135 3.635 weight 1.000 ! spec=HNH, no=1525, id=1284, vol=3.050000e+05
or (resid 27 and name HN) (resid 25 and name HG1)
assign (resid 25 and name HN) (resid 27 and name HN) 3.997 1.997 3.497 weight 1.000 ! spec=HNH, no=1526, id=1285, vol=3.730000e+05
assign (resid 9 and name HN) (resid 7 and name HN) 3.912 1.913 3.413 weight 1.000 ! spec=HNH, no=1531, id=1289, vol=4.240000e+05
assign (resid 9 and name HN) (resid 11 and name HN) 3.206 1.285 2.785 weight 1.000 ! spec=HNH, no=1532, id=1290, vol=1.400000e+06
assign (resid 10 and name HN) (resid 9 and name HN) 2.506 0.785 2.285 weight 1.000 ! spec=HNH, no=1535, id=1292, vol=6.130000e+06
assign (resid 72 and name HN) (resid 71 and name HD22) 3.303 1.364 2.864 weight 1.000 ! spec=HNH, no=1541, id=1298, vol=1.170000e+06
or (resid 72 and name HN) (resid 71 and name HD21)
or (resid 72 and name HN) (resid 71 and name HD23)
assign (resid 72 and name HN) (resid 71 and name HD12) 3.739 1.748 3.248 weight 1.000 ! spec=HNH, no=1542, id=1299, vol=5.560000e+05
or (resid 72 and name HN) (resid 71 and name HD11)
or (resid 72 and name HN) (resid 71 and name HD13)
assign (resid 64 and name HN) (resid 63 and name HB1) 3.452 1.490 2.99 weight 1.000 ! spec=HNH, no=1545, id=1301, vol=8.980000e+05
assign (resid 64 and name HN) (resid 63 and name HB2) 3.342 1.396 2.896 weight 1.000 ! spec=HNH, no=1546, id=1302, vol=1.090000e+06
assign (resid 64 and name HN) (resid 65 and name HB2) 4.195 2.199 3.699 weight 1.000 ! spec=HNH, no=1548, id=1304, vol=2.790000e+05
assign (resid 64 and name HN) (resid 62 and name HA) 3.875 1.877 3.377 weight 1.000 ! spec=HNH, no=1549, id=1305, vol=4.490000e+05
assign (resid 64 and name HN) (resid 60 and name HA) 4.018 2.018 3.518 weight 1.000 ! spec=HNH, no=1550, id=1306, vol=3.610000e+05
assign (resid 12 and name HN) (resid 44 and name HA) 3.940 1.941 3.441 weight 1.000 ! spec=HNH, no=1554, id=1309, vol=4.060000e+05
assign (resid 12 and name HN) (resid 12 and name HB1) 2.274 0.646 2.146 weight 1.000 ! spec=HNH, no=1560, id=1315, vol=1.100000e+07
assign (resid 12 and name HN) (resid 11 and name HD22) 3.162 1.250 2.75 weight 1.000 ! spec=HNH, no=1561, id=1316, vol=1.520000e+06
or (resid 12 and name HN) (resid 11 and name HD21)
or (resid 12 and name HN) (resid 11 and name HD23)
assign (resid 12 and name HN) (resid 44 and name HD22) 3.031 1.148 2.648 weight 1.000 ! spec=HNH, no=1562, id=1317, vol=1.960000e+06
or (resid 12 and name HN) (resid 44 and name HD21)
or (resid 12 and name HN) (resid 44 and name HD23)
or (resid 12 and name HN) (resid 44 and name HD12)
or (resid 12 and name HN) (resid 44 and name HD11)
or (resid 12 and name HN) (resid 44 and name HD13)
assign (resid 13 and name HN) (resid 12 and name HG1) 3.363 1.414 2.914 weight 1.000 ! spec=HNH, no=1565, id=1320, vol=1.050000e+06
assign (resid 13 and name HN) (resid 11 and name HB1) 4.275 2.284 3.784 weight 1.000 ! spec=HNH, no=1566, id=1321, vol=2.490000e+05
assign (resid 13 and name HN) (resid 13 and name HB1) 2.435 0.741 2.241 weight 1.000 ! spec=HNH, no=1568, id=1323, vol=7.300000e+06
assign (resid 35 and name HN) (resid 37 and name HB1) 3.865 1.867 3.367 weight 1.000 ! spec=HNH, no=1571, id=1326, vol=4.560000e+05
assign (resid 35 and name HN) (resid 36 and name HB1) 3.569 1.592 3.092 weight 1.000 ! spec=HNH, no=1573, id=1328, vol=7.360000e+05
assign (resid 35 and name HN) (resid 23 and name HG) 4.551 2.589 4.089 weight 1.000 ! spec=HNH, no=1574, id=1329, vol=1.710000e+05
assign (resid 35 and name HN) (resid 38 and name HN) 3.432 1.472 2.972 weight 1.000 ! spec=HNH, no=1579, id=1334, vol=9.300000e+05
assign (resid 29 and name HN) (resid 81 and name HZ3) 3.725 1.734 3.234 weight 1.000 ! spec=HNH, no=1580, id=1335, vol=5.690000e+05
assign (resid 29 and name HN) (resid 24 and name HB1) 4.168 2.171 3.671 weight 1.000 ! spec=HNH, no=1582, id=1337, vol=2.900000e+05
assign (resid 29 and name HN) (resid 27 and name HB1) 2.884 1.040 2.54 weight 1.000 ! spec=HNH, no=1583, id=1338, vol=2.640000e+06
assign (resid 29 and name HN) (resid 29 and name HB1) 2.805 0.984 2.484 weight 1.000 ! spec=HNH, no=1588, id=1343, vol=3.120000e+06
assign (resid 82 and name HN) (resid 79 and name HG2) 4.075 2.076 3.576 weight 1.000 ! spec=HNH, no=1590, id=1345, vol=3.320000e+05
assign (resid 82 and name HN) (resid 79 and name HA) 3.535 1.562 3.062 weight 1.000 ! spec=HNH, no=1595, id=1350, vol=7.790000e+05
assign (resid 26 and name HN) (resid 25 and name HG2) 3.500 1.531 3.031 weight 1.000 ! spec=HNH, no=1608, id=1362, vol=8.270000e+05
or (resid 26 and name HN) (resid 25 and name HG1)
assign (resid 26 and name HN) (resid 26 and name HA) 2.659 0.884 2.384 weight 1.000 ! spec=HNH, no=1611, id=1365, vol=4.300000e+06
assign (resid 26 and name HN) (resid 28 and name HA) 4.113 2.114 3.614 weight 1.000 ! spec=HNH, no=1614, id=1368, vol=3.140000e+05
assign (resid 26 and name HN) (resid 24 and name HA) 3.641 1.657 3.157 weight 1.000 ! spec=HNH, no=1616, id=1370, vol=6.520000e+05
assign (resid 27 and name HN) (resid 26 and name HN) 2.615 0.855 2.355 weight 1.000 ! spec=HNH, no=1619, id=1372, vol=4.750000e+06
assign (resid 51 and name HN) (resid 47 and name HA) 4.287 2.297 3.797 weight 1.000 ! spec=HNH, no=1623, id=1375, vol=2.450000e+05
assign (resid 51 and name HN) (resid 52 and name HA2) 3.779 1.785 3.285 weight 1.000 ! spec=HNH, no=1626, id=1378, vol=5.220000e+05
assign (resid 51 and name HN) (resid 50 and name HB2) 2.652 0.879 2.379 weight 1.000 ! spec=HNH, no=1629, id=1381, vol=4.370000e+06
or (resid 51 and name HN) (resid 50 and name HB1)
assign (resid 51 and name HN) (resid 51 and name HG) 2.720 0.925 2.425 weight 1.000 ! spec=HNH, no=1631, id=1383, vol=3.750000e+06
assign (resid 38 and name HN) (resid 36 and name HG) 3.737 1.746 3.246 weight 1.000 ! spec=HNH, no=1637, id=1389, vol=5.580000e+05
assign (resid 57 and name HN) (resid 55 and name HG22) 3.758 1.765 3.265 weight 1.000 ! spec=HNH, no=1642, id=1394, vol=5.400000e+05
or (resid 57 and name HN) (resid 55 and name HG21)
or (resid 57 and name HN) (resid 55 and name HG23)
assign (resid 57 and name HN) (resid 57 and name HG2) 3.083 1.188 2.688 weight 1.000 ! spec=HNH, no=1645, id=1397, vol=1.770000e+06
assign (resid 57 and name HN) (resid 58 and name HB2) 3.772 1.778 3.278 weight 1.000 ! spec=HNH, no=1649, id=1401, vol=5.280000e+05
assign (resid 57 and name HN) (resid 58 and name HB1) 3.794 1.799 3.299 weight 1.000 ! spec=HNH, no=1650, id=1402, vol=5.100000e+05
assign (resid 57 and name HN) (resid 55 and name HA) 3.664 1.678 3.178 weight 1.000 ! spec=HNH, no=1653, id=1405, vol=6.280000e+05
assign (resid 57 and name HN) (resid 58 and name HA) 4.140 2.142 3.642 weight 1.000 ! spec=HNH, no=1654, id=1406, vol=3.020000e+05
assign (resid 5 and name HN) (resid 3 and name HG22) 3.785 1.791 3.291 weight 1.000 ! spec=HNH, no=1656, id=1408, vol=5.170000e+05
or (resid 5 and name HN) (resid 3 and name HG21)
or (resid 5 and name HN) (resid 3 and name HG23)
assign (resid 5 and name HN) (resid 6 and name HE1) 3.839 1.842 3.342 weight 1.000 ! spec=HNH, no=1661, id=1412, vol=4.750000e+05
or (resid 5 and name HN) (resid 6 and name HE2)
assign (resid 22 and name HN) (resid 18 and name HA) 3.710 1.720 3.22 weight 1.000 ! spec=HNH, no=1662, id=1413, vol=5.830000e+05
assign (resid 19 and name HN) (resid 22 and name HN) 3.765 1.771 3.271 weight 1.000 ! spec=HNH, no=1665, id=1415, vol=5.340000e+05
assign (resid 44 and name HN) (resid 45 and name HA2) 3.299 1.360 2.86 weight 1.000 ! spec=HNH, no=1667, id=1417, vol=1.180000e+06
assign (resid 60 and name HN) (resid 57 and name HA) 2.960 1.095 2.595 weight 1.000 ! spec=HNH, no=1668, id=1418, vol=2.260000e+06
assign (resid 22 and name HN) (resid 21 and name HB1) 2.999 1.124 2.624 weight 1.000 ! spec=HNH, no=1669, id=1419, vol=2.090000e+06
assign (resid 22 and name HN) (resid 21 and name HB2) 3.031 1.148 2.648 weight 1.000 ! spec=HNH, no=1670, id=1420, vol=1.960000e+06
assign (resid 60 and name HN) (resid 59 and name HD1) 3.285 1.349 2.849 weight 1.000 ! spec=HNH, no=1673, id=1423, vol=1.210000e+06
or (resid 60 and name HN) (resid 59 and name HD2)
assign (resid 50 and name HN) (resid 46 and name HA) 4.156 2.159 3.659 weight 1.000 ! spec=HNH, no=1678, id=1428, vol=2.950000e+05
assign (resid 25 and name HN) (resid 20 and name HA) 4.234 2.240 3.74 weight 1.000 ! spec=HNH, no=1681, id=1431, vol=2.640000e+05
assign (resid 54 and name HN) (resid 51 and name HG) 3.650 1.665 3.165 weight 1.000 ! spec=HNH, no=1686, id=1436, vol=6.430000e+05
assign (resid 54 and name HN) (resid 57 and name HB2) 4.013 2.013 3.513 weight 1.000 ! spec=HNH, no=1688, id=1438, vol=3.640000e+05
assign (resid 54 and name HN) (resid 51 and name HD22) 3.250 1.320 2.82 weight 1.000 ! spec=HNH, no=1690, id=1440, vol=1.290000e+06
or (resid 54 and name HN) (resid 51 and name HD21)
or (resid 54 and name HN) (resid 51 and name HD23)
or (resid 54 and name HN) (resid 51 and name HD12)
or (resid 54 and name HN) (resid 51 and name HD11)
or (resid 54 and name HN) (resid 51 and name HD13)
assign (resid 68 and name HN) (resid 78 and name HD22) 4.000 2.000 3.5 weight 1.000 ! spec=HNH, no=1692, id=1442, vol=3.710000e+05
or (resid 68 and name HN) (resid 78 and name HD21)
or (resid 68 and name HN) (resid 78 and name HD23)
assign (resid 68 and name HN) (resid 67 and name HB2) 4.147 2.149 3.649 weight 1.000 ! spec=HNH, no=1694, id=1444, vol=2.990000e+05
assign (resid 20 and name HN) (resid 3 and name HG11) 3.807 1.812 3.312 weight 1.000 ! spec=HNH, no=1696, id=1446, vol=4.990000e+05
assign (resid 20 and name HN) (resid 18 and name HA) 3.845 1.848 3.348 weight 1.000 ! spec=HNH, no=1697, id=1447, vol=4.700000e+05
assign (resid 61 and name HN) (resid 59 and name HN) 3.206 1.285 2.785 weight 1.000 ! spec=HNH, no=1701, id=1450, vol=1.400000e+06
assign (resid 61 and name HN) (resid 62 and name HN) 2.728 0.930 2.43 weight 1.000 ! spec=HNH, no=1702, id=1451, vol=3.690000e+06
assign (resid 61 and name HN) (resid 64 and name HN) 3.611 1.630 3.13 weight 1.000 ! spec=HNH, no=1704, id=1453, vol=6.850000e+05
assign (resid 69 and name HN) (resid 79 and name HD1) 3.991 1.991 3.491 weight 1.000 ! spec=HNH, no=1705, id=1454, vol=3.760000e+05
assign (resid 69 and name HN) (resid 68 and name HN) 3.308 1.368 2.868 weight 1.000 ! spec=HNH, no=1706, id=1455, vol=1.160000e+06
assign (resid 76 and name HN) (resid 71 and name HD12) 3.374 1.423 2.923 weight 1.000 ! spec=HNH, no=1707, id=1456, vol=1.030000e+06
or (resid 76 and name HN) (resid 71 and name HD11)
or (resid 76 and name HN) (resid 71 and name HD13)
assign (resid 24 and name HN) (resid 23 and name HN) 2.680 0.898 2.398 weight 1.000 ! spec=HNH, no=1708, id=1457, vol=4.100000e+06
assign (resid 23 and name HN) (resid 18 and name HA) 4.513 2.545 4.045 weight 1.000 ! spec=HNH, no=1712, id=1461, vol=1.800000e+05
assign (resid 10 and name HN) (resid 44 and name HD22) 4.445 2.470 3.97 weight 1.000 ! spec=HNH, no=1717, id=1466, vol=1.970000e+05
or (resid 10 and name HN) (resid 44 and name HD21)
or (resid 10 and name HN) (resid 44 and name HD23)
or (resid 10 and name HN) (resid 44 and name HD12)
or (resid 10 and name HN) (resid 44 and name HD11)
or (resid 10 and name HN) (resid 44 and name HD13)
assign (resid 6 and name HN) (resid 2 and name HA2) 3.918 1.919 3.419 weight 1.000 ! spec=HNH, no=1721, id=1470, vol=4.200000e+05
assign (resid 14 and name HN) (resid 13 and name HN) 2.270 0.644 2.144 weight 1.000 ! spec=HNH, no=1724, id=1473, vol=1.110000e+07
assign (resid 65 and name HN) (resid 64 and name HB) 3.385 1.432 2.932 weight 1.000 ! spec=HNH, no=1728, id=1476, vol=1.010000e+06
assign (resid 36 and name HN) (resid 40 and name HD12) 4.367 2.384 3.884 weight 1.000 ! spec=HNH, no=1729, id=1477, vol=2.190000e+05
or (resid 36 and name HN) (resid 40 and name HD11)
or (resid 36 and name HN) (resid 40 and name HD13)
assign (resid 36 and name HN) (resid 36 and name HD22) 2.909 1.058 2.558 weight 1.000 ! spec=HNH, no=1730, id=1478, vol=2.510000e+06
or (resid 36 and name HN) (resid 36 and name HD21)
or (resid 36 and name HN) (resid 36 and name HD23)
or (resid 36 and name HN) (resid 36 and name HD12)
or (resid 36 and name HN) (resid 36 and name HD11)
or (resid 36 and name HN) (resid 36 and name HD13)
assign (resid 56 and name HN) (resid 57 and name HA) 3.480 1.514 3.014 weight 1.000 ! spec=HNH, no=1734, id=1482, vol=8.560000e+05
assign (resid 157 and name HN) (resid 157 and name HD12) 2.853 1.017 2.517 weight 1.000 ! spec=HNH, no=1735, id=1483, vol=2.820000e+06
or (resid 157 and name HN) (resid 157 and name HD11)
or (resid 157 and name HN) (resid 157 and name HD13)
assign (resid 67 and name HN) (resid 68 and name HA) 4.205 2.210 3.71 weight 1.000 ! spec=HNH, no=1741, id=1487, vol=2.750000e+05
assign (resid 33 and name HN) (resid 36 and name HB2) 4.525 2.560 4.06 weight 1.000 ! spec=HNH, no=1745, id=1488, vol=1.770000e+05
assign (resid 7 and name HN) (resid 6 and name HE1) 4.018 2.018 3.518 weight 1.000 ! spec=HNH, no=1746, id=1489, vol=3.610000e+05
or (resid 7 and name HN) (resid 6 and name HE2)
assign (resid 49 and name HN) (resid 51 and name HD22) 3.628 1.646 3.146 weight 1.000 ! spec=HNH, no=1748, id=1491, vol=6.660000e+05
or (resid 49 and name HN) (resid 51 and name HD21)
or (resid 49 and name HN) (resid 51 and name HD23)
or (resid 49 and name HN) (resid 51 and name HD12)
or (resid 49 and name HN) (resid 51 and name HD11)
or (resid 49 and name HN) (resid 51 and name HD13)
assign (resid 49 and name HN) (resid 47 and name HE2) 3.421 1.463 2.963 weight 1.000 ! spec=HNH, no=1754, id=1497, vol=9.480000e+05
or (resid 49 and name HN) (resid 47 and name HE1)
assign (resid 49 and name HN) (resid 48 and name HB2) 3.119 1.216 2.716 weight 1.000 ! spec=HNH, no=1757, id=1500, vol=1.650000e+06
assign (resid 49 and name HN) (resid 47 and name HA) 3.358 1.410 2.91 weight 1.000 ! spec=HNH, no=1759, id=1502, vol=1.060000e+06
assign (resid 49 and name HN) (resid 50 and name HA) 3.739 1.748 3.248 weight 1.000 ! spec=HNH, no=1760, id=1503, vol=5.560000e+05
assign (resid 49 and name HN) (resid 51 and name HN) 3.348 1.401 2.901 weight 1.000 ! spec=HNH, no=1765, id=1508, vol=1.080000e+06
assign (resid 52 and name HN) (resid 49 and name HN) 3.805 1.810 3.31 weight 1.000 ! spec=HNH, no=1766, id=1509, vol=5.010000e+05
assign (resid 49 and name HN) (resid 47 and name HN) 4.018 2.018 3.518 weight 1.000 ! spec=HNH, no=1767, id=1510, vol=3.610000e+05
assign (resid 48 and name HN) (resid 49 and name HN) 2.808 0.986 2.486 weight 1.000 ! spec=HNH, no=1768, id=1511, vol=3.100000e+06
assign (resid 34 and name HN) (resid 36 and name HB1) 4.578 2.620 4.12 weight 1.000 ! spec=HNH, no=1772, id=1513, vol=1.650000e+05
assign (resid 48 and name HN) (resid 55 and name HD12) 4.069 2.069 3.569 weight 1.000 ! spec=HNH, no=1773, id=1514, vol=3.350000e+05
or (resid 48 and name HN) (resid 55 and name HD11)
or (resid 48 and name HN) (resid 55 and name HD13)
assign (resid 3 and name HN) (resid 5 and name HN) 3.789 1.794 3.294 weight 1.000 ! spec=HNH, no=1776, id=1515, vol=5.140000e+05
assign (resid 67 and name HN) (resid 21 and name HN) 4.617 2.664 4.164 weight 1.000 ! spec=HNH, no=1778, id=1517, vol=1.570000e+05
assign (resid 17 and name HN) (resid 18 and name HA) 4.085 2.086 3.586 weight 1.000 ! spec=HNH, no=1780, id=1519, vol=3.270000e+05
assign (resid 15 and name HN) (resid 16 and name HA) 4.210 2.215 3.715 weight 1.000 ! spec=HNH, no=1788, id=1521, vol=2.730000e+05
assign (resid 76 and name HN) (resid 33 and name HA) 3.915 1.916 3.416 weight 1.000 ! spec=HNH, no=1798, id=1528, vol=4.220000e+05
assign (resid 76 and name HE1) (resid 76 and name HN) 3.969 1.969 3.469 weight 1.000 ! spec=HNH, no=1800, id=1530, vol=3.890000e+05
assign (resid 76 and name HN) (resid 33 and name HN) 3.636 1.652 3.152 weight 1.000 ! spec=HNH, no=1801, id=1531, vol=6.580000e+05
assign (resid 9 and name HN) (resid 6 and name HB2) 4.381 2.399 3.899 weight 1.000 ! spec=HNH, no=1804, id=1534, vol=2.150000e+05
assign (resid 65 and name HN) (resid 63 and name HB1) 4.106 2.108 3.608 weight 1.000 ! spec=HNH, no=1809, id=1539, vol=3.170000e+05
assign (resid 125 and name HN) (resid 124 and name HB1) 2.956 1.092 2.592 weight 1.000 ! spec=HNH, no=1812, id=1541, vol=2.280000e+06
assign (resid 25 and name HN) (resid 23 and name HG) 4.316 2.329 3.829 weight 1.000 ! spec=HNH, no=1819, id=1547, vol=2.350000e+05
assign (resid 54 and name HN) (resid 54 and name HE) 3.926 1.927 3.427 weight 1.000 ! spec=HNH, no=1821, id=1549, vol=4.150000e+05
assign (resid 59 and name HN) (resid 57 and name HB2) 4.371 2.388 3.888 weight 1.000 ! spec=HNH, no=1822, id=1550, vol=2.180000e+05
assign (resid 74 and name HN) (resid 72 and name HB1) 3.700 1.712 3.212 weight 1.000 ! spec=HNH, no=1828, id=1556, vol=5.920000e+05
assign (resid 36 and name HN) (resid 33 and name HN) 4.051 2.051 3.551 weight 1.000 ! spec=HNH, no=1830, id=1558, vol=3.440000e+05
assign (resid 34 and name HN) (resid 36 and name HN) 3.573 1.596 3.096 weight 1.000 ! spec=HNH, no=1831, id=1559, vol=7.300000e+05
assign (resid 36 and name HN) (resid 33 and name HB1) 4.504 2.536 4.036 weight 1.000 ! spec=HNH, no=1832, id=1560, vol=1.820000e+05
assign (resid 57 and name HN) (resid 55 and name HN) 3.191 1.273 2.773 weight 1.000 ! spec=HNH, no=1836, id=1563, vol=1.440000e+06
assign (resid 57 and name HN) (resid 56 and name HN) 2.694 0.907 2.407 weight 1.000 ! spec=HNH, no=1838, id=1565, vol=3.980000e+06
assign (resid 82 and name HN) (resid 78 and name HB1) 4.492 2.522 4.022 weight 1.000 ! spec=HNH, no=1841, id=1568, vol=1.850000e+05
assign (resid 82 and name HN) (resid 79 and name HD2) 4.261 2.269 3.769 weight 1.000 ! spec=HNH, no=1843, id=1570, vol=2.540000e+05
assign (resid 82 and name HN) (resid 82 and name HB2) 2.941 1.081 2.581 weight 1.000 ! spec=HNH, no=1844, id=1571, vol=2.350000e+06
assign (resid 82 and name HN) (resid 82 and name HB1) 2.884 1.040 2.54 weight 1.000 ! spec=HNH, no=1847, id=1573, vol=2.640000e+06
assign (resid 60 and name HN) (resid 62 and name HG) 4.213 2.218 3.718 weight 1.000 ! spec=HNH, no=1852, id=1576, vol=2.720000e+05
assign (resid 37 and name HN) (resid 35 and name HN) 3.254 1.324 2.824 weight 1.000 ! spec=HNH, no=1854, id=1577, vol=1.280000e+06
assign (resid 57 and name HE21) (resid 61 and name HN) 3.436 1.476 2.976 weight 1.000 ! spec=HNH, no=1857, id=1580, vol=9.230000e+05
assign (resid 57 and name HE21) (resid 60 and name HB) 3.276 1.341 2.841 weight 1.000 ! spec=HNH, no=1859, id=1582, vol=1.230000e+06
assign (resid 57 and name HE21) (resid 64 and name HD12) 3.711 1.721 3.221 weight 1.000 ! spec=HNH, no=1860, id=1583, vol=5.820000e+05
or (resid 57 and name HE21) (resid 64 and name HD11)
or (resid 57 and name HE21) (resid 64 and name HD13)
assign (resid 86 and name HE21) (resid 85 and name HB2) 4.035 2.035 3.535 weight 1.000 ! spec=HNH, no=1863, id=1586, vol=3.520000e+05
or (resid 86 and name HE21) (resid 85 and name HB1)
assign (resid 86 and name HE21) (resid 65 and name HB1) 4.419 2.441 3.941 weight 1.000 ! spec=HNH, no=1864, id=1587, vol=2.040000e+05
assign (resid 81 and name HN) (resid 79 and name HB2) 3.967 1.967 3.467 weight 1.000 ! spec=HNH, no=1871, id=1589, vol=3.900000e+05
assign (resid 35 and name HN) (resid 76 and name HD1) 4.384 2.403 3.903 weight 1.000 ! spec=HNH, no=1874, id=1590, vol=2.140000e+05
assign (resid 57 and name HE22) (resid 64 and name HD12) 3.677 1.690 3.19 weight 1.000 ! spec=HNH, no=1875, id=1591, vol=6.150000e+05
or (resid 57 and name HE22) (resid 64 and name HD11)
or (resid 57 and name HE22) (resid 64 and name HD13)
assign (resid 57 and name HE22) (resid 64 and name HG22) 3.928 1.928 3.428 weight 1.000 ! spec=HNH, no=1876, id=1592, vol=4.140000e+05
or (resid 57 and name HE22) (resid 64 and name HG21)
or (resid 57 and name HE22) (resid 64 and name HG23)
assign (resid 76 and name HZ2) (resid 36 and name HD22) 4.332 2.346 3.846 weight 1.000 ! spec=HNH, no=1878, id=1594, vol=2.300000e+05
or (resid 76 and name HZ2) (resid 36 and name HD21)
or (resid 76 and name HZ2) (resid 36 and name HD23)
or (resid 76 and name HZ2) (resid 36 and name HD12)
or (resid 76 and name HZ2) (resid 36 and name HD11)
or (resid 76 and name HZ2) (resid 36 and name HD13)
assign (resid 76 and name HZ2) (resid 62 and name HN) 4.163 2.166 3.666 weight 1.000 ! spec=HNH, no=1880, id=1595, vol=2.920000e+05
assign (resid 63 and name HD21) (resid 62 and name HN) 3.912 1.913 3.413 weight 1.000 ! spec=HNH, no=1884, id=1598, vol=4.240000e+05
assign (resid 63 and name HD21) (resid 64 and name HN) 3.436 1.476 2.976 weight 1.000 ! spec=HNH, no=1885, id=1599, vol=9.240000e+05
assign (resid 75 and name HN) (resid 73 and name HB1) 4.593 2.636 4.136 weight 1.000 ! spec=HNH, no=1887, id=1601, vol=1.620000e+05
assign (resid 13 and name HN) (resid 12 and name HN) 2.617 0.856 2.356 weight 1.000 ! spec=HNH, no=1888, id=1602, vol=4.730000e+06
assign (resid 11 and name HN) (resid 13 and name HN) 3.601 1.621 3.121 weight 1.000 ! spec=HNH, no=1891, id=1604, vol=6.970000e+05
assign (resid 38 and name HN) (resid 37 and name HD22) 3.047 1.160 2.66 weight 1.000 ! spec=HNH, no=1904, id=1616, vol=1.900000e+06
or (resid 38 and name HN) (resid 37 and name HD21)
or (resid 38 and name HN) (resid 37 and name HD23)
or (resid 38 and name HN) (resid 37 and name HD12)
or (resid 38 and name HN) (resid 37 and name HD11)
or (resid 38 and name HN) (resid 37 and name HD13)
assign (resid 38 and name HN) (resid 36 and name HA) 3.380 1.428 2.928 weight 1.000 ! spec=HNH, no=1907, id=1619, vol=1.020000e+06
assign (resid 38 and name HN) (resid 35 and name HA) 2.851 1.016 2.516 weight 1.000 ! spec=HNH, no=1908, id=1620, vol=2.830000e+06
assign (resid 38 and name HN) (resid 40 and name HN) 3.549 1.575 3.075 weight 1.000 ! spec=HNH, no=1914, id=1625, vol=7.600000e+05
assign (resid 41 and name HN) (resid 38 and name HA) 3.152 1.242 2.742 weight 1.000 ! spec=HNH, no=1917, id=1628, vol=1.550000e+06
assign (resid 19 and name HN) (resid 40 and name HD12) 3.991 1.991 3.491 weight 1.000 ! spec=HNH, no=1918, id=1629, vol=3.760000e+05
or (resid 19 and name HN) (resid 40 and name HD11)
or (resid 19 and name HN) (resid 40 and name HD13)
assign (resid 60 and name HN) (resid 56 and name HA) 3.369 1.419 2.919 weight 1.000 ! spec=HNH, no=1920, id=1631, vol=1.040000e+06
assign (resid 62 and name HN) (resid 58 and name HA) 3.562 1.586 3.086 weight 1.000 ! spec=HNH, no=1921, id=1632, vol=7.440000e+05
assign (resid 78 and name HN) (resid 71 and name HD22) 3.289 1.352 2.852 weight 1.000 ! spec=HNH, no=1929, id=1638, vol=1.200000e+06
or (resid 78 and name HN) (resid 71 and name HD21)
or (resid 78 and name HN) (resid 71 and name HD23)
assign (resid 78 and name HN) (resid 78 and name HG) 3.438 1.477 2.977 weight 1.000 ! spec=HNH, no=1930, id=1639, vol=9.210000e+05
assign (resid 78 and name HN) (resid 78 and name HD22) 3.489 1.521 3.021 weight 1.000 ! spec=HNH, no=1931, id=1640, vol=8.430000e+05
or (resid 78 and name HN) (resid 78 and name HD21)
or (resid 78 and name HN) (resid 78 and name HD23)
assign (resid 78 and name HN) (resid 81 and name HZ3) 3.308 1.368 2.868 weight 1.000 ! spec=HNH, no=1933, id=1642, vol=1.160000e+06
assign (resid 78 and name HN) (resid 82 and name HD1) 4.102 2.103 3.603 weight 1.000 ! spec=HNH, no=1935, id=1644, vol=3.190000e+05
or (resid 78 and name HN) (resid 82 and name HD2)
assign (resid 78 and name HN) (resid 81 and name HE3) 3.695 1.707 3.207 weight 1.000 ! spec=HNH, no=1936, id=1645, vol=5.970000e+05
assign (resid 78 and name HN) (resid 77 and name HN) 3.887 1.888 3.388 weight 1.000 ! spec=HNH, no=1938, id=1647, vol=4.410000e+05
assign (resid 37 and name HN) (resid 33 and name HA) 3.516 1.546 3.046 weight 1.000 ! spec=HNH, no=1941, id=1650, vol=8.040000e+05
assign (resid 37 and name HN) (resid 33 and name HE1) 3.912 1.913 3.413 weight 1.000 ! spec=HNH, no=1942, id=1651, vol=4.240000e+05
or (resid 37 and name HN) (resid 33 and name HE2)
assign (resid 128 and name HN) (resid 128 and name HA) 2.421 0.733 2.233 weight 1.000 ! spec=HNH, no=1944, id=1653, vol=7.550000e+06
assign (resid 52 and name HN) (resid 53 and name HB1) 4.275 2.284 3.784 weight 1.000 ! spec=HNH, no=1953, id=1656, vol=2.490000e+05
assign (resid 75 and name HN) (resid 32 and name HB2) 4.351 2.366 3.866 weight 1.000 ! spec=HNH, no=1959, id=1657, vol=2.240000e+05
assign (resid 34 and name HE21) (resid 33 and name HE1) 3.276 1.341 2.841 weight 1.000 ! spec=HNH, no=1962, id=1659, vol=1.230000e+06
or (resid 34 and name HE21) (resid 33 and name HE2)
assign (resid 46 and name HN) (resid 46 and name HA) 2.796 0.977 2.477 weight 1.000 ! spec=HNH, no=1964, id=1660, vol=3.180000e+06
assign (resid 34 and name HE21) (resid 37 and name HD22) 3.217 1.294 2.794 weight 1.000 ! spec=HNH, no=1965, id=1661, vol=1.370000e+06
or (resid 34 and name HE21) (resid 37 and name HD21)
or (resid 34 and name HE21) (resid 37 and name HD23)
or (resid 34 and name HE21) (resid 37 and name HD12)
or (resid 34 and name HE21) (resid 37 and name HD11)
or (resid 34 and name HE21) (resid 37 and name HD13)
assign (resid 74 and name HE22) (resid 72 and name HA) 4.022 2.022 3.522 weight 1.000 ! spec=HNH, no=1978, id=1670, vol=3.590000e+05
assign (resid 86 and name HE22) (resid 79 and name HE) 3.092 1.195 2.695 weight 1.000 ! spec=HNH, no=1980, id=1672, vol=1.740000e+06
assign (resid 34 and name HN) (resid 36 and name HA) 4.247 2.255 3.755 weight 1.000 ! spec=HNH, no=1981, id=1673, vol=2.590000e+05
assign (resid 28 and name HN) (resid 26 and name HN) 3.661 1.676 3.176 weight 1.000 ! spec=HNH, no=1983, id=1674, vol=6.310000e+05
assign (resid 18 and name HN) (resid 17 and name HN) 2.764 0.955 2.455 weight 1.000 ! spec=HNH, no=1985, id=1676, vol=3.410000e+06
assign (resid 28 and name HN) (resid 27 and name HA) 3.101 1.202 2.702 weight 1.000 ! spec=HNH, no=1987, id=1678, vol=1.710000e+06
assign (resid 28 and name HN) (resid 28 and name HE2) 3.952 1.952 3.452 weight 1.000 ! spec=HNH, no=1988, id=1679, vol=3.990000e+05
or (resid 28 and name HN) (resid 28 and name HE1)
assign (resid 28 and name HN) (resid 26 and name HB1) 3.972 1.972 3.472 weight 1.000 ! spec=HNH, no=1989, id=1680, vol=3.870000e+05
assign (resid 28 and name HN) (resid 24 and name HB1) 4.307 2.319 3.819 weight 1.000 ! spec=HNH, no=1990, id=1681, vol=2.380000e+05
assign (resid 31 and name HN) (resid 31 and name HB) 3.049 1.162 2.662 weight 1.000 ! spec=HNH, no=1996, id=1687, vol=1.890000e+06
assign (resid 21 and name HN) (resid 22 and name HN) 2.926 1.070 2.57 weight 1.000 ! spec=HNH, no=2010, id=1699, vol=2.420000e+06
assign (resid 21 and name HN) (resid 21 and name HD2) 3.656 1.671 3.171 weight 1.000 ! spec=HNH, no=2013, id=1702, vol=6.360000e+05
assign (resid 21 and name HN) (resid 23 and name HD22) 3.503 1.534 3.034 weight 1.000 ! spec=HNH, no=2015, id=1704, vol=8.230000e+05
or (resid 21 and name HN) (resid 23 and name HD21)
or (resid 21 and name HN) (resid 23 and name HD23)
assign (resid 27 and name HN) (resid 26 and name HG2) 3.104 1.204 2.704 weight 1.000 ! spec=HNH, no=2018, id=1707, vol=1.700000e+06
or (resid 27 and name HN) (resid 26 and name HG1)
assign (resid 27 and name HN) (resid 24 and name HA) 3.119 1.216 2.716 weight 1.000 ! spec=HNH, no=2025, id=1714, vol=1.650000e+06
assign (resid 9 and name HN) (resid 12 and name HG1) 4.032 2.032 3.532 weight 1.000 ! spec=HNH, no=2030, id=1719, vol=3.540000e+05
assign (resid 72 and name HN) (resid 71 and name HB2) 3.541 1.567 3.067 weight 1.000 ! spec=HNH, no=2033, id=1722, vol=7.710000e+05
assign (resid 94 and name HN) (resid 93 and name HB1) 2.798 0.978 2.478 weight 1.000 ! spec=HNH, no=2034, id=1723, vol=3.170000e+06
assign (resid 94 and name HN) (resid 93 and name HG2) 3.254 1.324 2.824 weight 1.000 ! spec=HNH, no=2035, id=1724, vol=1.280000e+06
or (resid 94 and name HN) (resid 93 and name HG1)
assign (resid 94 and name HN) (resid 94 and name HA) 2.694 0.907 2.407 weight 1.000 ! spec=HNH, no=2038, id=1727, vol=3.980000e+06
assign (resid 72 and name HN) (resid 72 and name HB2) 2.822 0.995 2.495 weight 1.000 ! spec=HNH, no=2039, id=1728, vol=3.010000e+06
assign (resid 94 and name HN) (resid 93 and name HA) 1.987 0.493 1.993 weight 1.000 ! spec=HNH, no=2040, id=1729, vol=2.470000e+07
assign (resid 57 and name HE21) (resid 57 and name HE22) 1.698 0.360 1.86 weight 1.000 ! spec=HNH, no=2045, id=1733, vol=6.340000e+07
assign (resid 57 and name HE21) (resid 57 and name HA) 3.217 1.294 2.794 weight 1.000 ! spec=HNH, no=2046, id=1734, vol=1.370000e+06
assign (resid 57 and name HE21) (resid 57 and name HB2) 3.404 1.448 2.948 weight 1.000 ! spec=HNH, no=2049, id=1737, vol=9.770000e+05
assign (resid 57 and name HE21) (resid 57 and name HB1) 3.404 1.448 2.948 weight 1.000 ! spec=HNH, no=2050, id=1738, vol=9.770000e+05
assign (resid 9 and name HN) (resid 12 and name HN) 4.045 2.045 3.545 weight 1.000 ! spec=HNH, no=2058, id=1746, vol=3.470000e+05
assign (resid 11 and name HN) (resid 12 and name HN) 2.695 0.908 2.408 weight 1.000 ! spec=HNH, no=2059, id=1747, vol=3.970000e+06
assign (resid 61 and name HN) (resid 57 and name HE22) 3.686 1.698 3.198 weight 1.000 ! spec=HNH, no=2064, id=1751, vol=6.060000e+05
assign (resid 57 and name HE22) (resid 60 and name HB) 3.391 1.437 2.937 weight 1.000 ! spec=HNH, no=2070, id=1755, vol=1.000000e+06
assign (resid 57 and name HE22) (resid 57 and name HG2) 2.637 0.869 2.369 weight 1.000 ! spec=HNH, no=2072, id=1757, vol=4.520000e+06
assign (resid 57 and name HE22) (resid 57 and name HG1) 2.865 1.026 2.526 weight 1.000 ! spec=HNH, no=2073, id=1758, vol=2.750000e+06
assign (resid 57 and name HE22) (resid 57 and name HB2) 3.729 1.738 3.238 weight 1.000 ! spec=HNH, no=2074, id=1759, vol=5.650000e+05
assign (resid 35 and name HN) (resid 35 and name HG1) 2.760 0.952 2.452 weight 1.000 ! spec=HNH, no=2078, id=1763, vol=3.440000e+06
assign (resid 35 and name HN) (resid 34 and name HG1) 3.619 1.638 3.138 weight 1.000 ! spec=HNH, no=2080, id=1765, vol=6.760000e+05
assign (resid 35 and name HN) (resid 32 and name HD1) 3.578 1.601 3.101 weight 1.000 ! spec=HNH, no=2083, id=1768, vol=7.240000e+05
assign (resid 35 and name HN) (resid 35 and name HA) 2.879 1.036 2.536 weight 1.000 ! spec=HNH, no=2084, id=1769, vol=2.670000e+06
assign (resid 28 and name HN) (resid 29 and name HN) 2.844 1.011 2.511 weight 1.000 ! spec=HNH, no=2085, id=1770, vol=2.870000e+06
assign (resid 27 and name HN) (resid 29 and name HN) 3.358 1.410 2.91 weight 1.000 ! spec=HNH, no=2086, id=1771, vol=1.060000e+06
assign (resid 29 and name HN) (resid 81 and name HH2) 2.994 1.121 2.621 weight 1.000 ! spec=HNH, no=2088, id=1772, vol=2.110000e+06
assign (resid 29 and name HN) (resid 29 and name HA) 2.853 1.017 2.517 weight 1.000 ! spec=HNH, no=2091, id=1775, vol=2.820000e+06
assign (resid 29 and name HN) (resid 25 and name HA) 4.168 2.171 3.671 weight 1.000 ! spec=HNH, no=2092, id=1776, vol=2.900000e+05
assign (resid 29 and name HN) (resid 28 and name HG2) 3.466 1.502 3.002 weight 1.000 ! spec=HNH, no=2095, id=1779, vol=8.760000e+05
or (resid 29 and name HN) (resid 28 and name HG1)
assign (resid 29 and name HN) (resid 31 and name HG22) 3.627 1.644 3.144 weight 1.000 ! spec=HNH, no=2096, id=1780, vol=6.680000e+05
or (resid 29 and name HN) (resid 31 and name HG21)
or (resid 29 and name HN) (resid 31 and name HG23)
assign (resid 51 and name HN) (resid 51 and name HD22) 2.557 0.817 2.317 weight 1.000 ! spec=HNH, no=2099, id=1782, vol=5.440000e+06
or (resid 51 and name HN) (resid 51 and name HD21)
or (resid 51 and name HN) (resid 51 and name HD23)
or (resid 51 and name HN) (resid 51 and name HD12)
or (resid 51 and name HN) (resid 51 and name HD11)
or (resid 51 and name HN) (resid 51 and name HD13)
assign (resid 51 and name HN) (resid 55 and name HD12) 3.162 1.250 2.75 weight 1.000 ! spec=HNH, no=2100, id=1783, vol=1.520000e+06
or (resid 51 and name HN) (resid 55 and name HD11)
or (resid 51 and name HN) (resid 55 and name HD13)
assign (resid 57 and name HN) (resid 16 and name HD12) 4.102 2.103 3.603 weight 1.000 ! spec=HNH, no=2103, id=1786, vol=3.190000e+05
or (resid 57 and name HN) (resid 16 and name HD11)
or (resid 57 and name HN) (resid 16 and name HD13)
assign (resid 26 and name HN) (resid 26 and name HG2) 2.638 0.870 2.37 weight 1.000 ! spec=HNH, no=2105, id=1788, vol=4.510000e+06
or (resid 26 and name HN) (resid 26 and name HG1)
assign (resid 4 and name HN) (resid 5 and name HN) 2.503 0.783 2.283 weight 1.000 ! spec=HNH, no=2109, id=1792, vol=6.180000e+06
assign (resid 5 and name HN) (resid 6 and name HB2) 3.809 1.813 3.313 weight 1.000 ! spec=HNH, no=2111, id=1794, vol=4.980000e+05
assign (resid 5 and name HN) (resid 6 and name HB1) 3.520 1.549 3.049 weight 1.000 ! spec=HNH, no=2112, id=1795, vol=7.990000e+05
assign (resid 5 and name HN) (resid 5 and name HB2) 2.419 0.731 2.231 weight 1.000 ! spec=HNH, no=2113, id=1796, vol=7.590000e+06
or (resid 5 and name HN) (resid 5 and name HB1)
assign (resid 52 and name HN) (resid 50 and name HN) 3.013 1.135 2.635 weight 1.000 ! spec=HNH, no=2116, id=1798, vol=2.030000e+06
assign (resid 68 and name HN) (resid 17 and name HG22) 4.106 2.108 3.608 weight 1.000 ! spec=HNH, no=2123, id=1804, vol=3.170000e+05
or (resid 68 and name HN) (resid 17 and name HG21)
or (resid 68 and name HN) (resid 17 and name HG23)
or (resid 68 and name HN) (resid 17 and name HG12)
or (resid 68 and name HN) (resid 17 and name HG11)
or (resid 68 and name HN) (resid 17 and name HG13)
assign (resid 59 and name HN) (resid 62 and name HN) 3.435 1.474 2.974 weight 1.000 ! spec=HNH, no=2128, id=1808, vol=9.260000e+05
assign (resid 8 and name HN) (resid 11 and name HB1) 4.210 2.215 3.715 weight 1.000 ! spec=HNH, no=2130, id=1810, vol=2.730000e+05
assign (resid 53 and name HN) (resid 55 and name HD12) 3.942 1.943 3.443 weight 1.000 ! spec=HNH, no=2134, id=1814, vol=4.050000e+05
or (resid 53 and name HN) (resid 55 and name HD11)
or (resid 53 and name HN) (resid 55 and name HD13)
assign (resid 23 and name HN) (resid 78 and name HD22) 4.289 2.300 3.8 weight 1.000 ! spec=HNH, no=2136, id=1816, vol=2.440000e+05
or (resid 23 and name HN) (resid 78 and name HD21)
or (resid 23 and name HN) (resid 78 and name HD23)
assign (resid 5 and name HE21) (resid 4 and name HN) 3.303 1.364 2.864 weight 1.000 ! spec=HNH, no=2138, id=1818, vol=1.170000e+06
assign (resid 4 and name HN) (resid 6 and name HD1) 3.693 1.705 3.205 weight 1.000 ! spec=HNH, no=2139, id=1819, vol=5.990000e+05
or (resid 4 and name HN) (resid 6 and name HD2)
assign (resid 19 and name HN) (resid 14 and name HA) 4.278 2.288 3.788 weight 1.000 ! spec=HNH, no=2143, id=1823, vol=2.480000e+05
assign (resid 81 and name HN) (resid 78 and name HB1) 3.337 1.392 2.892 weight 1.000 ! spec=HNH, no=2145, id=1825, vol=1.100000e+06
assign (resid 71 and name HN) (resid 78 and name HN) 3.636 1.652 3.152 weight 1.000 ! spec=HNH, no=2151, id=1829, vol=6.580000e+05
assign (resid 71 and name HN) (resid 75 and name HB) 3.844 1.847 3.347 weight 1.000 ! spec=HNH, no=2152, id=1830, vol=4.710000e+05
assign (resid 136 and name HN) (resid 135 and name HG2) 3.353 1.405 2.905 weight 1.000 ! spec=HNH, no=2153, id=1831, vol=1.070000e+06
or (resid 136 and name HN) (resid 135 and name HG1)
assign (resid 136 and name HN) (resid 135 and name HB1) 3.086 1.190 2.69 weight 1.000 ! spec=HNH, no=2155, id=1833, vol=1.760000e+06
assign (resid 136 and name HN) (resid 136 and name HB2) 2.274 0.646 2.146 weight 1.000 ! spec=HNH, no=2156, id=1834, vol=1.100000e+07
or (resid 136 and name HN) (resid 136 and name HB1)
or (resid 136 and name HN) (resid 136 and name HB3)
assign (resid 73 and name HN) (resid 72 and name HA) 2.822 0.995 2.495 weight 1.000 ! spec=HNH, no=2165, id=1842, vol=3.010000e+06
assign (resid 87 and name HN) (resid 87 and name HD12) 3.101 1.202 2.702 weight 1.000 ! spec=HNH, no=2173, id=1845, vol=1.710000e+06
or (resid 87 and name HN) (resid 87 and name HD11)
or (resid 87 and name HN) (resid 87 and name HD13)
assign (resid 87 and name HN) (resid 87 and name HG) 2.306 0.665 2.165 weight 1.000 ! spec=HNH, no=2174, id=1846, vol=1.010000e+07
assign (resid 91 and name HN) (resid 92 and name HN) 2.729 0.931 2.431 weight 1.000 ! spec=HNH, no=2176, id=1848, vol=3.680000e+06
assign (resid 91 and name HN) (resid 84 and name HA) 3.504 1.535 3.035 weight 1.000 ! spec=HNH, no=2181, id=1851, vol=8.210000e+05
assign (resid 91 and name HN) (resid 91 and name HB) 2.613 0.853 2.353 weight 1.000 ! spec=HNH, no=2183, id=1853, vol=4.780000e+06
assign (resid 91 and name HN) (resid 90 and name HG2) 3.267 1.334 2.834 weight 1.000 ! spec=HNH, no=2185, id=1855, vol=1.250000e+06
or (resid 91 and name HN) (resid 90 and name HG1)
assign (resid 91 and name HN) (resid 92 and name HB1) 3.034 1.150 2.65 weight 1.000 ! spec=HNH, no=2187, id=1857, vol=1.950000e+06
assign (resid 92 and name HN) (resid 91 and name HG21) 2.873 1.032 2.532 weight 1.000 ! spec=HNH, no=2190, id=1860, vol=2.700000e+06
or (resid 92 and name HN) (resid 91 and name HG22)
or (resid 92 and name HN) (resid 91 and name HG23)
assign (resid 92 and name HN) (resid 83 and name HD1) 3.612 1.631 3.131 weight 1.000 ! spec=HNH, no=2194, id=1864, vol=6.840000e+05
assign (resid 92 and name HN) (resid 83 and name HD2) 3.467 1.503 3.003 weight 1.000 ! spec=HNH, no=2195, id=1865, vol=8.750000e+05
assign (resid 94 and name HN) (resid 95 and name HG22) 3.460 1.496 2.996 weight 1.000 ! spec=HNH, no=2200, id=1870, vol=8.860000e+05
or (resid 94 and name HN) (resid 95 and name HG21)
or (resid 94 and name HN) (resid 95 and name HG23)
assign (resid 94 and name HN) (resid 83 and name HD1) 3.480 1.514 3.014 weight 1.000 ! spec=HNH, no=2203, id=1873, vol=8.560000e+05
assign (resid 95 and name HN) (resid 95 and name HA) 2.539 0.805 2.305 weight 1.000 ! spec=HNH, no=2205, id=1875, vol=5.680000e+06
assign (resid 95 and name HN) (resid 95 and name HB) 2.339 0.684 2.184 weight 1.000 ! spec=HNH, no=2206, id=1876, vol=9.270000e+06
assign (resid 95 and name HN) (resid 95 and name HG22) 2.270 0.644 2.144 weight 1.000 ! spec=HNH, no=2207, id=1877, vol=1.110000e+07
or (resid 95 and name HN) (resid 95 and name HG21)
or (resid 95 and name HN) (resid 95 and name HG23)
assign (resid 96 and name HN) (resid 96 and name HB2) 2.468 0.762 2.262 weight 1.000 ! spec=HNH, no=2211, id=1881, vol=6.720000e+06
or (resid 96 and name HN) (resid 96 and name HB1)
assign (resid 96 and name HN) (resid 95 and name HG12) 2.560 0.819 2.319 weight 1.000 ! spec=HNH, no=2214, id=1884, vol=5.400000e+06
or (resid 96 and name HN) (resid 95 and name HG11)
or (resid 96 and name HN) (resid 95 and name HG13)
assign (resid 97 and name HN) (resid 95 and name HG12) 3.246 1.317 2.817 weight 1.000 ! spec=HNH, no=2216, id=1885, vol=1.300000e+06
or (resid 97 and name HN) (resid 95 and name HG11)
or (resid 97 and name HN) (resid 95 and name HG13)
assign (resid 97 and name HN) (resid 97 and name HB2) 2.106 0.555 2.055 weight 1.000 ! spec=HNH, no=2217, id=1886, vol=1.740000e+07
or (resid 97 and name HN) (resid 97 and name HB1)
or (resid 97 and name HN) (resid 97 and name HB3)
assign (resid 97 and name HN) (resid 29 and name HD2) 2.958 1.094 2.594 weight 1.000 ! spec=HNH, no=2218, id=1887, vol=2.270000e+06
or (resid 97 and name HN) (resid 29 and name HD1)
assign (resid 97 and name HN) (resid 96 and name HB2) 2.916 1.063 2.563 weight 1.000 ! spec=HNH, no=2219, id=1888, vol=2.470000e+06
or (resid 97 and name HN) (resid 96 and name HB1)
assign (resid 97 and name HN) (resid 97 and name HA) 1.839 0.423 1.923 weight 1.000 ! spec=HNH, no=2221, id=1890, vol=3.930000e+07
assign (resid 105 and name HN) (resid 108 and name HB1) 3.601 1.621 3.121 weight 1.000 ! spec=HNH, no=2224, id=1893, vol=6.970000e+05
assign (resid 102 and name HN) (resid 102 and name HB2) 2.074 0.538 2.038 weight 1.000 ! spec=HNH, no=2225, id=1894, vol=1.910000e+07
or (resid 102 and name HN) (resid 102 and name HB1)
or (resid 102 and name HN) (resid 102 and name HB3)
assign (resid 96 and name HN) (resid 28 and name HB1) 3.391 1.437 2.937 weight 1.000 ! spec=HNH, no=2228, id=1897, vol=1.000000e+06
assign (resid 105 and name HN) (resid 106 and name HN) 2.616 0.856 2.356 weight 1.000 ! spec=HNH, no=2231, id=1900, vol=4.740000e+06
assign (resid 106 and name HN) (resid 106 and name HB) 2.310 0.667 2.167 weight 1.000 ! spec=HNH, no=2237, id=1906, vol=1.000000e+07
assign (resid 106 and name HN) (resid 108 and name HG2) 3.537 1.564 3.064 weight 1.000 ! spec=HNH, no=2238, id=1907, vol=7.760000e+05
or (resid 106 and name HN) (resid 108 and name HG1)
assign (resid 106 and name HN) (resid 106 and name HA) 2.446 0.748 2.248 weight 1.000 ! spec=HNH, no=2239, id=1908, vol=7.090000e+06
assign (resid 116 and name HN) (resid 115 and name HA) 2.083 0.542 2.042 weight 1.000 ! spec=HNH, no=2245, id=1912, vol=1.860000e+07
assign (resid 116 and name HN) (resid 115 and name HB2) 2.700 0.911 2.411 weight 1.000 ! spec=HNH, no=2246, id=1913, vol=3.920000e+06
assign (resid 116 and name HN) (resid 115 and name HB1) 2.849 1.015 2.515 weight 1.000 ! spec=HNH, no=2247, id=1914, vol=2.840000e+06
assign (resid 153 and name HN) (resid 152 and name HB2) 2.584 0.835 2.335 weight 1.000 ! spec=HNH, no=2249, id=1916, vol=5.100000e+06
or (resid 153 and name HN) (resid 152 and name HB1)
assign (resid 153 and name HN) (resid 153 and name HG12) 2.848 1.014 2.514 weight 1.000 ! spec=HNH, no=2251, id=1918, vol=2.850000e+06
assign (resid 153 and name HN) (resid 153 and name HG11) 2.814 0.990 2.49 weight 1.000 ! spec=HNH, no=2252, id=1919, vol=3.060000e+06
assign (resid 118 and name HN) (resid 117 and name HA) 1.916 0.459 1.959 weight 1.000 ! spec=HNH, no=2254, id=1920, vol=3.070000e+07
assign (resid 118 and name HN) (resid 117 and name HB2) 2.748 0.944 2.444 weight 1.000 ! spec=HNH, no=2255, id=1921, vol=3.530000e+06
assign (resid 118 and name HN) (resid 118 and name HG22) 2.779 0.965 2.465 weight 1.000 ! spec=HNH, no=2259, id=1925, vol=3.300000e+06
or (resid 118 and name HN) (resid 118 and name HG21)
or (resid 118 and name HN) (resid 118 and name HG23)
assign (resid 118 and name HN) (resid 118 and name HA) 2.330 0.679 2.179 weight 1.000 ! spec=HNH, no=2260, id=1926, vol=9.500000e+06
assign (resid 115 and name HN) (resid 111 and name HB2) 2.427 0.737 2.237 weight 1.000 ! spec=HNH, no=2264, id=1929, vol=7.430000e+06
assign (resid 122 and name HN) (resid 122 and name HB1) 2.299 0.661 2.161 weight 1.000 ! spec=HNH, no=2265, id=1930, vol=1.030000e+07
assign (resid 122 and name HN) (resid 3 and name HD12) 3.711 1.721 3.221 weight 1.000 ! spec=HNH, no=2267, id=1932, vol=5.820000e+05
or (resid 122 and name HN) (resid 3 and name HD11)
or (resid 122 and name HN) (resid 3 and name HD13)
assign (resid 127 and name HN) (resid 127 and name HB1) 2.359 0.696 2.196 weight 1.000 ! spec=HNH, no=2269, id=1933, vol=8.810000e+06
assign (resid 127 and name HN) (resid 127 and name HB2) 2.751 0.946 2.446 weight 1.000 ! spec=HNH, no=2270, id=1934, vol=3.510000e+06
assign (resid 127 and name HN) (resid 127 and name HG2) 2.868 1.028 2.528 weight 1.000 ! spec=HNH, no=2271, id=1935, vol=2.730000e+06
or (resid 127 and name HN) (resid 127 and name HG1)
assign (resid 127 and name HN) (resid 127 and name HA) 2.320 0.673 2.173 weight 1.000 ! spec=HNH, no=2274, id=1938, vol=9.740000e+06
assign (resid 157 and name HN) (resid 157 and name HG12) 2.749 0.945 2.445 weight 1.000 ! spec=HNH, no=2276, id=1940, vol=3.520000e+06
assign (resid 172 and name HN) (resid 171 and name HA) 1.834 0.420 1.92 weight 1.000 ! spec=HNH, no=2278, id=1942, vol=4.000000e+07
assign (resid 132 and name HN) (resid 127 and name HG2) 3.039 1.154 2.654 weight 1.000 ! spec=HNH, no=2279, id=1943, vol=1.930000e+06
or (resid 132 and name HN) (resid 127 and name HG1)
assign (resid 132 and name HN) (resid 127 and name HB2) 2.905 1.055 2.555 weight 1.000 ! spec=HNH, no=2280, id=1944, vol=2.530000e+06
assign (resid 132 and name HN) (resid 127 and name HB1) 2.987 1.115 2.615 weight 1.000 ! spec=HNH, no=2281, id=1945, vol=2.140000e+06
assign (resid 172 and name HN) (resid 172 and name HD12) 3.180 1.264 2.764 weight 1.000 ! spec=HNH, no=2284, id=1948, vol=1.470000e+06
or (resid 172 and name HN) (resid 172 and name HD11)
or (resid 172 and name HN) (resid 172 and name HD13)
assign (resid 172 and name HN) (resid 172 and name HG22) 3.411 1.454 2.954 weight 1.000 ! spec=HNH, no=2285, id=1949, vol=9.650000e+05
or (resid 172 and name HN) (resid 172 and name HG21)
or (resid 172 and name HN) (resid 172 and name HG23)
assign (resid 139 and name HN) (resid 139 and name HB2) 2.726 0.929 2.429 weight 1.000 ! spec=HNH, no=2294, id=1956, vol=3.700000e+06
assign (resid 154 and name HN) (resid 153 and name HG11) 3.836 1.839 3.339 weight 1.000 ! spec=HNH, no=2301, id=1960, vol=4.770000e+05
assign (resid 154 and name HN) (resid 154 and name HB1) 2.503 0.783 2.283 weight 1.000 ! spec=HNH, no=2305, id=1964, vol=6.180000e+06
assign (resid 154 and name HN) (resid 154 and name HG2) 2.848 1.014 2.514 weight 1.000 ! spec=HNH, no=2306, id=1965, vol=2.850000e+06
or (resid 154 and name HN) (resid 154 and name HG1)
assign (resid 154 and name HN) (resid 154 and name HB2) 2.768 0.958 2.458 weight 1.000 ! spec=HNH, no=2307, id=1966, vol=3.380000e+06
assign (resid 157 and name HN) (resid 157 and name HA) 2.710 0.918 2.418 weight 1.000 ! spec=HNH, no=2313, id=1971, vol=3.840000e+06
assign (resid 158 and name HN) (resid 158 and name HB) 2.361 0.697 2.197 weight 1.000 ! spec=HNH, no=2319, id=1976, vol=8.780000e+06
assign (resid 158 and name HN) (resid 158 and name HG12) 3.055 1.167 2.667 weight 1.000 ! spec=HNH, no=2320, id=1977, vol=1.870000e+06
assign (resid 158 and name HN) (resid 158 and name HG11) 2.866 1.027 2.527 weight 1.000 ! spec=HNH, no=2321, id=1978, vol=2.740000e+06
assign (resid 154 and name HN) (resid 148 and name HB2) 2.789 0.972 2.472 weight 1.000 ! spec=HNH, no=2328, id=1985, vol=3.230000e+06
assign (resid 129 and name HN) (resid 9 and name HA) 3.797 1.802 3.302 weight 1.000 ! spec=HNH, no=2329, id=1986, vol=5.070000e+05
assign (resid 159 and name HN) (resid 159 and name HA) 2.723 0.927 2.427 weight 1.000 ! spec=HNH, no=2331, id=1988, vol=3.730000e+06
assign (resid 165 and name HN) (resid 164 and name HB1) 3.214 1.291 2.791 weight 1.000 ! spec=HNH, no=2335, id=1991, vol=1.380000e+06
assign (resid 165 and name HN) (resid 165 and name HB1) 2.481 0.770 2.27 weight 1.000 ! spec=HNH, no=2337, id=1993, vol=6.510000e+06
assign (resid 165 and name HN) (resid 164 and name HA) 2.046 0.523 2.023 weight 1.000 ! spec=HNH, no=2339, id=1995, vol=2.070000e+07
assign (resid 97 and name HN) (resid 29 and name HA) 3.563 1.587 3.087 weight 1.000 ! spec=HNH, no=2349, id=2001, vol=7.430000e+05
Contact the webmaster for help, if required. Sunday, April 28, 2024 7:11:05 PM GMT (wattos1)