USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 3 MET CE :methyl -177:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0526 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0214 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0.149 X(o=0.15,f=-0.057) USER MOD Single : A 9 LYS NZ :NH3+ -159:sc= -0.0859 (180deg=-0.467) USER MOD Single : A 15 SER OG : rot -81:sc= 1.17 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0319 X(o=-0.032,f=-0.11) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.0782 K(o=-0.078,f=-0.61) USER MOD Single : A 22 ASN : amide:sc= -1.35! K(o=-1.4!,f=-0.018) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= -0.0177 (180deg=-0.233) USER MOD Single : B 1 GLY N :NH3+ -111:sc= 0.0519 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0.0209 USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 GLN : amide:sc= 0.146 X(o=0.15,f=-0.059) USER MOD Single : B 9 LYS NZ :NH3+ -159:sc= -0.0859 (180deg=-0.464) USER MOD Single : B 15 SER OG : rot -81:sc= 1.14 USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 ASN : amide:sc= -0.0336 X(o=-0.034,f=-0.17) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= -0.0919 K(o=-0.092,f=-0.65) USER MOD Single : B 22 ASN : amide:sc= -1.3! K(o=-1.3!,f=-0.043) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 167:sc= -0.0228 (180deg=-0.253) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.535 -3.852 -5.107 1.00 0.00 N ATOM 2 CA GLY A 1 20.195 -2.426 -5.332 1.00 0.00 C ATOM 3 C GLY A 1 20.956 -1.515 -4.398 1.00 0.00 C ATOM 4 O GLY A 1 21.359 -1.934 -3.313 1.00 0.00 O ATOM 0 H1 GLY A 1 21.068 -4.215 -5.923 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.115 -3.939 -4.248 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.661 -4.403 -4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.419 -2.157 -6.364 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.124 -2.281 -5.190 1.00 0.00 H new ATOM 10 N SER A 2 21.165 -0.275 -4.815 1.00 0.00 N ATOM 11 CA SER A 2 21.885 0.691 -4.002 1.00 0.00 C ATOM 12 C SER A 2 20.955 1.333 -2.978 1.00 0.00 C ATOM 13 O SER A 2 19.737 1.136 -3.038 1.00 0.00 O ATOM 14 CB SER A 2 22.496 1.768 -4.895 1.00 0.00 C ATOM 15 OG SER A 2 21.488 2.449 -5.621 1.00 0.00 O ATOM 0 H SER A 2 20.845 0.085 -5.714 1.00 0.00 H new ATOM 0 HA SER A 2 22.680 0.170 -3.469 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.055 2.478 -4.286 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.205 1.314 -5.587 1.00 0.00 H new ATOM 0 HG SER A 2 21.899 3.136 -6.186 1.00 0.00 H new ATOM 21 N MET A 3 21.520 2.099 -2.052 1.00 0.00 N ATOM 22 CA MET A 3 20.725 2.789 -1.044 1.00 0.00 C ATOM 23 C MET A 3 19.675 3.668 -1.709 1.00 0.00 C ATOM 24 O MET A 3 18.496 3.595 -1.376 1.00 0.00 O ATOM 25 CB MET A 3 21.607 3.650 -0.132 1.00 0.00 C ATOM 26 CG MET A 3 22.563 2.860 0.751 1.00 0.00 C ATOM 27 SD MET A 3 23.905 2.082 -0.168 1.00 0.00 S ATOM 28 CE MET A 3 24.861 1.383 1.176 1.00 0.00 C ATOM 0 H MET A 3 22.525 2.258 -1.979 1.00 0.00 H new ATOM 0 HA MET A 3 20.234 2.030 -0.435 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.186 4.336 -0.750 1.00 0.00 H new ATOM 0 HB3 MET A 3 20.965 4.259 0.504 1.00 0.00 H new ATOM 0 HG2 MET A 3 22.986 3.526 1.504 1.00 0.00 H new ATOM 0 HG3 MET A 3 22.003 2.091 1.284 1.00 0.00 H new ATOM 0 HE1 MET A 3 25.731 0.865 0.773 1.00 0.00 H new ATOM 0 HE2 MET A 3 25.190 2.181 1.842 1.00 0.00 H new ATOM 0 HE3 MET A 3 24.244 0.677 1.733 1.00 0.00 H new ATOM 38 N LYS A 4 20.113 4.468 -2.675 1.00 0.00 N ATOM 39 CA LYS A 4 19.227 5.401 -3.369 1.00 0.00 C ATOM 40 C LYS A 4 18.115 4.659 -4.100 1.00 0.00 C ATOM 41 O LYS A 4 16.945 5.030 -4.005 1.00 0.00 O ATOM 42 CB LYS A 4 20.007 6.265 -4.369 1.00 0.00 C ATOM 43 CG LYS A 4 20.903 7.324 -3.736 1.00 0.00 C ATOM 44 CD LYS A 4 22.102 6.714 -3.030 1.00 0.00 C ATOM 45 CE LYS A 4 23.043 7.785 -2.510 1.00 0.00 C ATOM 46 NZ LYS A 4 24.214 7.202 -1.804 1.00 0.00 N ATOM 0 H LYS A 4 21.080 4.490 -2.998 1.00 0.00 H new ATOM 0 HA LYS A 4 18.784 6.049 -2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.622 5.613 -4.989 1.00 0.00 H new ATOM 0 HB3 LYS A 4 19.297 6.759 -5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 4 21.249 8.013 -4.507 1.00 0.00 H new ATOM 0 HG3 LYS A 4 20.323 7.909 -3.023 1.00 0.00 H new ATOM 0 HD2 LYS A 4 21.761 6.094 -2.201 1.00 0.00 H new ATOM 0 HD3 LYS A 4 22.638 6.060 -3.718 1.00 0.00 H new ATOM 0 HE2 LYS A 4 23.390 8.398 -3.342 1.00 0.00 H new ATOM 0 HE3 LYS A 4 22.502 8.445 -1.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 24.831 7.967 -1.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 23.886 6.638 -0.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 24.746 6.593 -2.458 1.00 0.00 H new ATOM 60 N GLN A 5 18.486 3.603 -4.816 1.00 0.00 N ATOM 61 CA GLN A 5 17.527 2.830 -5.593 1.00 0.00 C ATOM 62 C GLN A 5 16.466 2.209 -4.691 1.00 0.00 C ATOM 63 O GLN A 5 15.272 2.239 -5.001 1.00 0.00 O ATOM 64 CB GLN A 5 18.244 1.731 -6.380 1.00 0.00 C ATOM 65 CG GLN A 5 17.315 0.918 -7.269 1.00 0.00 C ATOM 66 CD GLN A 5 16.636 1.765 -8.326 1.00 0.00 C ATOM 67 OE1 GLN A 5 17.153 1.928 -9.428 1.00 0.00 O ATOM 68 NE2 GLN A 5 15.475 2.311 -7.997 1.00 0.00 N ATOM 0 H GLN A 5 19.446 3.263 -4.874 1.00 0.00 H new ATOM 0 HA GLN A 5 17.035 3.509 -6.290 1.00 0.00 H new ATOM 0 HB2 GLN A 5 19.020 2.184 -6.997 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.743 1.061 -5.680 1.00 0.00 H new ATOM 0 HG2 GLN A 5 17.884 0.124 -7.754 1.00 0.00 H new ATOM 0 HG3 GLN A 5 16.557 0.436 -6.652 1.00 0.00 H new ATOM 0 HE21 GLN A 5 15.080 2.150 -7.070 1.00 0.00 H new ATOM 0 HE22 GLN A 5 14.976 2.892 -8.670 1.00 0.00 H new ATOM 77 N LEU A 6 16.906 1.656 -3.573 1.00 0.00 N ATOM 78 CA LEU A 6 15.994 1.009 -2.641 1.00 0.00 C ATOM 79 C LEU A 6 15.188 2.054 -1.876 1.00 0.00 C ATOM 80 O LEU A 6 14.031 1.822 -1.531 1.00 0.00 O ATOM 81 CB LEU A 6 16.756 0.094 -1.672 1.00 0.00 C ATOM 82 CG LEU A 6 17.512 -1.072 -2.326 1.00 0.00 C ATOM 83 CD1 LEU A 6 18.283 -1.866 -1.285 1.00 0.00 C ATOM 84 CD2 LEU A 6 16.552 -1.982 -3.072 1.00 0.00 C ATOM 0 H LEU A 6 17.885 1.641 -3.288 1.00 0.00 H new ATOM 0 HA LEU A 6 15.303 0.389 -3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.469 0.699 -1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 6 16.048 -0.313 -0.950 1.00 0.00 H new ATOM 0 HG LEU A 6 18.222 -0.654 -3.040 1.00 0.00 H new ATOM 0 HD11 LEU A 6 18.811 -2.687 -1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 6 19.003 -1.214 -0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 6 17.589 -2.267 -0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 6 17.108 -2.801 -3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 6 15.817 -2.385 -2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 6 16.041 -1.413 -3.849 1.00 0.00 H new ATOM 96 N GLU A 7 15.804 3.210 -1.640 1.00 0.00 N ATOM 97 CA GLU A 7 15.157 4.321 -0.964 1.00 0.00 C ATOM 98 C GLU A 7 13.895 4.743 -1.715 1.00 0.00 C ATOM 99 O GLU A 7 12.835 4.936 -1.111 1.00 0.00 O ATOM 100 CB GLU A 7 16.131 5.497 -0.881 1.00 0.00 C ATOM 101 CG GLU A 7 15.687 6.595 0.059 1.00 0.00 C ATOM 102 CD GLU A 7 15.897 6.231 1.514 1.00 0.00 C ATOM 103 OE1 GLU A 7 14.905 5.936 2.211 1.00 0.00 O ATOM 104 OE2 GLU A 7 17.060 6.243 1.969 1.00 0.00 O ATOM 0 H GLU A 7 16.768 3.399 -1.915 1.00 0.00 H new ATOM 0 HA GLU A 7 14.872 4.009 0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 7 17.105 5.128 -0.559 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.264 5.917 -1.878 1.00 0.00 H new ATOM 0 HG2 GLU A 7 16.238 7.508 -0.167 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.632 6.809 -0.110 1.00 0.00 H new ATOM 111 N ASP A 8 14.023 4.868 -3.038 1.00 0.00 N ATOM 112 CA ASP A 8 12.899 5.240 -3.901 1.00 0.00 C ATOM 113 C ASP A 8 11.746 4.263 -3.739 1.00 0.00 C ATOM 114 O ASP A 8 10.592 4.663 -3.616 1.00 0.00 O ATOM 115 CB ASP A 8 13.324 5.288 -5.371 1.00 0.00 C ATOM 116 CG ASP A 8 14.192 6.484 -5.697 1.00 0.00 C ATOM 117 OD1 ASP A 8 13.751 7.630 -5.448 1.00 0.00 O ATOM 118 OD2 ASP A 8 15.308 6.290 -6.223 1.00 0.00 O ATOM 0 H ASP A 8 14.899 4.716 -3.537 1.00 0.00 H new ATOM 0 HA ASP A 8 12.570 6.234 -3.597 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.866 4.375 -5.617 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.434 5.310 -6.000 1.00 0.00 H new ATOM 123 N LYS A 9 12.069 2.981 -3.769 1.00 0.00 N ATOM 124 CA LYS A 9 11.066 1.928 -3.518 1.00 0.00 C ATOM 125 C LYS A 9 10.355 2.146 -2.191 1.00 0.00 C ATOM 126 O LYS A 9 9.125 2.204 -2.136 1.00 0.00 O ATOM 127 CB LYS A 9 11.692 0.539 -3.462 1.00 0.00 C ATOM 128 CG LYS A 9 12.696 0.267 -4.570 1.00 0.00 C ATOM 129 CD LYS A 9 13.217 -1.157 -4.516 1.00 0.00 C ATOM 130 CE LYS A 9 13.994 -1.512 -5.773 1.00 0.00 C ATOM 131 NZ LYS A 9 13.130 -1.485 -6.985 1.00 0.00 N ATOM 0 H LYS A 9 13.008 2.633 -3.962 1.00 0.00 H new ATOM 0 HA LYS A 9 10.365 1.989 -4.350 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.187 0.414 -2.499 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.899 -0.208 -3.513 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.228 0.447 -5.538 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.530 0.963 -4.485 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.859 -1.278 -3.643 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.382 -1.847 -4.396 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.819 -0.811 -5.900 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.432 -2.504 -5.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.568 -2.055 -7.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.195 -1.877 -6.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.022 -0.504 -7.313 1.00 0.00 H new ATOM 145 N VAL A 10 11.154 2.260 -1.131 1.00 0.00 N ATOM 146 CA VAL A 10 10.645 2.373 0.232 1.00 0.00 C ATOM 147 C VAL A 10 9.637 3.506 0.310 1.00 0.00 C ATOM 148 O VAL A 10 8.547 3.359 0.858 1.00 0.00 O ATOM 149 CB VAL A 10 11.781 2.641 1.243 1.00 0.00 C ATOM 150 CG1 VAL A 10 11.222 2.834 2.646 1.00 0.00 C ATOM 151 CG2 VAL A 10 12.790 1.504 1.227 1.00 0.00 C ATOM 0 H VAL A 10 12.172 2.276 -1.195 1.00 0.00 H new ATOM 0 HA VAL A 10 10.172 1.425 0.488 1.00 0.00 H new ATOM 0 HB VAL A 10 12.288 3.559 0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.040 3.021 3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.539 3.684 2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.686 1.935 2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.583 1.711 1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.292 0.572 1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.220 1.413 0.229 1.00 0.00 H new ATOM 161 N GLU A 11 10.007 4.624 -0.285 1.00 0.00 N ATOM 162 CA GLU A 11 9.160 5.820 -0.244 1.00 0.00 C ATOM 163 C GLU A 11 7.950 5.712 -1.183 1.00 0.00 C ATOM 164 O GLU A 11 6.841 6.101 -0.807 1.00 0.00 O ATOM 165 CB GLU A 11 9.963 7.092 -0.548 1.00 0.00 C ATOM 166 CG GLU A 11 10.665 7.083 -1.893 1.00 0.00 C ATOM 167 CD GLU A 11 11.406 8.369 -2.177 1.00 0.00 C ATOM 168 OE1 GLU A 11 10.889 9.195 -2.960 1.00 0.00 O ATOM 169 OE2 GLU A 11 12.510 8.561 -1.630 1.00 0.00 O ATOM 0 H GLU A 11 10.880 4.738 -0.801 1.00 0.00 H new ATOM 0 HA GLU A 11 8.779 5.890 0.775 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.291 7.949 -0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.707 7.233 0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.367 6.250 -1.925 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.930 6.911 -2.680 1.00 0.00 H new ATOM 176 N GLU A 12 8.153 5.193 -2.397 1.00 0.00 N ATOM 177 CA GLU A 12 7.063 5.051 -3.361 1.00 0.00 C ATOM 178 C GLU A 12 5.962 4.146 -2.810 1.00 0.00 C ATOM 179 O GLU A 12 4.783 4.509 -2.792 1.00 0.00 O ATOM 180 CB GLU A 12 7.612 4.485 -4.674 1.00 0.00 C ATOM 181 CG GLU A 12 6.573 4.329 -5.769 1.00 0.00 C ATOM 182 CD GLU A 12 7.181 3.815 -7.054 1.00 0.00 C ATOM 183 OE1 GLU A 12 7.336 2.586 -7.196 1.00 0.00 O ATOM 184 OE2 GLU A 12 7.523 4.645 -7.924 1.00 0.00 O ATOM 0 H GLU A 12 9.059 4.866 -2.733 1.00 0.00 H new ATOM 0 HA GLU A 12 6.628 6.033 -3.546 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.407 5.138 -5.034 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.064 3.513 -4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.795 3.643 -5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.093 5.290 -5.954 1.00 0.00 H new ATOM 191 N LEU A 13 6.364 2.970 -2.366 1.00 0.00 N ATOM 192 CA LEU A 13 5.454 2.000 -1.771 1.00 0.00 C ATOM 193 C LEU A 13 4.779 2.538 -0.508 1.00 0.00 C ATOM 194 O LEU A 13 3.575 2.380 -0.339 1.00 0.00 O ATOM 195 CB LEU A 13 6.211 0.713 -1.446 1.00 0.00 C ATOM 196 CG LEU A 13 6.841 0.010 -2.649 1.00 0.00 C ATOM 197 CD1 LEU A 13 7.702 -1.155 -2.193 1.00 0.00 C ATOM 198 CD2 LEU A 13 5.764 -0.468 -3.612 1.00 0.00 C ATOM 0 H LEU A 13 7.334 2.656 -2.406 1.00 0.00 H new ATOM 0 HA LEU A 13 4.669 1.797 -2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.997 0.944 -0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.526 0.020 -0.958 1.00 0.00 H new ATOM 0 HG LEU A 13 7.477 0.725 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.142 -1.644 -3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.496 -0.788 -1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.087 -1.870 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.231 -0.966 -4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.103 -1.167 -3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.186 0.386 -3.965 1.00 0.00 H new ATOM 210 N LEU A 14 5.552 3.162 0.377 1.00 0.00 N ATOM 211 CA LEU A 14 5.025 3.679 1.638 1.00 0.00 C ATOM 212 C LEU A 14 3.981 4.771 1.409 1.00 0.00 C ATOM 213 O LEU A 14 2.933 4.768 2.056 1.00 0.00 O ATOM 214 CB LEU A 14 6.159 4.202 2.529 1.00 0.00 C ATOM 215 CG LEU A 14 5.726 4.787 3.876 1.00 0.00 C ATOM 216 CD1 LEU A 14 5.086 3.721 4.754 1.00 0.00 C ATOM 217 CD2 LEU A 14 6.915 5.415 4.584 1.00 0.00 C ATOM 0 H LEU A 14 6.550 3.323 0.243 1.00 0.00 H new ATOM 0 HA LEU A 14 4.533 2.851 2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.857 3.385 2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.705 4.968 1.979 1.00 0.00 H new ATOM 0 HG LEU A 14 4.981 5.560 3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.788 4.163 5.705 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.208 3.315 4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.803 2.920 4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.593 5.827 5.540 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.679 4.657 4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.327 6.212 3.966 1.00 0.00 H new ATOM 229 N SER A 15 4.250 5.702 0.492 1.00 0.00 N ATOM 230 CA SER A 15 3.276 6.740 0.183 1.00 0.00 C ATOM 231 C SER A 15 2.000 6.121 -0.392 1.00 0.00 C ATOM 232 O SER A 15 0.893 6.582 -0.116 1.00 0.00 O ATOM 233 CB SER A 15 3.873 7.771 -0.780 1.00 0.00 C ATOM 234 OG SER A 15 4.529 7.144 -1.869 1.00 0.00 O ATOM 0 H SER A 15 5.119 5.756 -0.039 1.00 0.00 H new ATOM 0 HA SER A 15 3.014 7.257 1.106 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.082 8.421 -1.155 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.579 8.405 -0.244 1.00 0.00 H new ATOM 0 HG SER A 15 5.425 6.860 -1.592 1.00 0.00 H new ATOM 240 N LYS A 16 2.159 5.054 -1.167 1.00 0.00 N ATOM 241 CA LYS A 16 1.015 4.332 -1.710 1.00 0.00 C ATOM 242 C LYS A 16 0.301 3.562 -0.599 1.00 0.00 C ATOM 243 O LYS A 16 -0.928 3.514 -0.559 1.00 0.00 O ATOM 244 CB LYS A 16 1.462 3.376 -2.817 1.00 0.00 C ATOM 245 CG LYS A 16 0.308 2.734 -3.574 1.00 0.00 C ATOM 246 CD LYS A 16 -0.544 3.779 -4.282 1.00 0.00 C ATOM 247 CE LYS A 16 -1.590 3.149 -5.193 1.00 0.00 C ATOM 248 NZ LYS A 16 -2.374 4.175 -5.928 1.00 0.00 N ATOM 0 H LYS A 16 3.066 4.671 -1.433 1.00 0.00 H new ATOM 0 HA LYS A 16 0.320 5.054 -2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.090 3.920 -3.523 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.079 2.591 -2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.700 2.026 -4.305 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.312 2.166 -2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.041 4.404 -3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.100 4.433 -4.870 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.099 2.487 -5.906 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.265 2.533 -4.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.075 3.706 -6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.863 4.791 -5.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.733 4.747 -6.515 1.00 0.00 H new ATOM 262 N ASN A 17 1.089 2.959 0.291 1.00 0.00 N ATOM 263 CA ASN A 17 0.572 2.272 1.475 1.00 0.00 C ATOM 264 C ASN A 17 -0.374 3.175 2.257 1.00 0.00 C ATOM 265 O ASN A 17 -1.456 2.752 2.666 1.00 0.00 O ATOM 266 CB ASN A 17 1.743 1.833 2.371 1.00 0.00 C ATOM 267 CG ASN A 17 1.303 1.322 3.741 1.00 0.00 C ATOM 268 OD1 ASN A 17 1.175 2.098 4.690 1.00 0.00 O ATOM 269 ND2 ASN A 17 1.100 0.016 3.873 1.00 0.00 N ATOM 0 H ASN A 17 2.106 2.933 0.211 1.00 0.00 H new ATOM 0 HA ASN A 17 0.014 1.394 1.151 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.305 1.049 1.863 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.422 2.675 2.507 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.830 -0.369 4.778 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.214 -0.602 3.069 1.00 0.00 H new ATOM 276 N TYR A 18 0.032 4.426 2.433 1.00 0.00 N ATOM 277 CA TYR A 18 -0.786 5.399 3.154 1.00 0.00 C ATOM 278 C TYR A 18 -2.107 5.618 2.430 1.00 0.00 C ATOM 279 O TYR A 18 -3.175 5.574 3.040 1.00 0.00 O ATOM 280 CB TYR A 18 -0.061 6.744 3.312 1.00 0.00 C ATOM 281 CG TYR A 18 1.106 6.726 4.276 1.00 0.00 C ATOM 282 CD1 TYR A 18 1.017 6.065 5.497 1.00 0.00 C ATOM 283 CD2 TYR A 18 2.297 7.379 3.970 1.00 0.00 C ATOM 284 CE1 TYR A 18 2.080 6.051 6.376 1.00 0.00 C ATOM 285 CE2 TYR A 18 3.361 7.368 4.849 1.00 0.00 C ATOM 286 CZ TYR A 18 3.249 6.702 6.048 1.00 0.00 C ATOM 287 OH TYR A 18 4.311 6.685 6.925 1.00 0.00 O ATOM 0 H TYR A 18 0.920 4.792 2.088 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.974 4.993 4.148 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.298 7.064 2.334 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.780 7.491 3.648 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.102 5.555 5.761 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.390 7.902 3.030 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.996 5.531 7.319 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.278 7.880 4.597 1.00 0.00 H new ATOM 0 HH TYR A 18 5.059 7.189 6.543 1.00 0.00 H new ATOM 297 N HIS A 19 -2.020 5.831 1.123 1.00 0.00 N ATOM 298 CA HIS A 19 -3.198 6.097 0.304 1.00 0.00 C ATOM 299 C HIS A 19 -4.159 4.913 0.313 1.00 0.00 C ATOM 300 O HIS A 19 -5.348 5.081 0.573 1.00 0.00 O ATOM 301 CB HIS A 19 -2.790 6.432 -1.133 1.00 0.00 C ATOM 302 CG HIS A 19 -2.104 7.757 -1.266 1.00 0.00 C ATOM 303 ND1 HIS A 19 -0.896 7.924 -1.907 1.00 0.00 N ATOM 304 CD2 HIS A 19 -2.469 8.986 -0.835 1.00 0.00 C ATOM 305 CE1 HIS A 19 -0.548 9.195 -1.858 1.00 0.00 C ATOM 306 NE2 HIS A 19 -1.485 9.862 -1.214 1.00 0.00 N ATOM 0 H HIS A 19 -1.142 5.825 0.604 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.713 6.956 0.735 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.128 5.650 -1.506 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.678 6.426 -1.765 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.370 9.232 -0.292 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.354 9.618 -2.276 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.479 10.865 -1.028 1.00 0.00 H new ATOM 315 N LEU A 20 -3.636 3.717 0.052 1.00 0.00 N ATOM 316 CA LEU A 20 -4.464 2.515 0.008 1.00 0.00 C ATOM 317 C LEU A 20 -5.160 2.283 1.340 1.00 0.00 C ATOM 318 O LEU A 20 -6.351 1.989 1.378 1.00 0.00 O ATOM 319 CB LEU A 20 -3.630 1.288 -0.361 1.00 0.00 C ATOM 320 CG LEU A 20 -2.977 1.331 -1.741 1.00 0.00 C ATOM 321 CD1 LEU A 20 -2.066 0.133 -1.937 1.00 0.00 C ATOM 322 CD2 LEU A 20 -4.042 1.369 -2.825 1.00 0.00 C ATOM 0 H LEU A 20 -2.646 3.555 -0.132 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.221 2.668 -0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.849 1.162 0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.268 0.406 -0.307 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.374 2.236 -1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.610 0.181 -2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.285 0.141 -1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.648 -0.785 -1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.564 1.399 -3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.666 0.478 -2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.661 2.257 -2.696 1.00 0.00 H new ATOM 334 N GLU A 21 -4.414 2.436 2.429 1.00 0.00 N ATOM 335 CA GLU A 21 -4.958 2.236 3.768 1.00 0.00 C ATOM 336 C GLU A 21 -6.104 3.210 4.034 1.00 0.00 C ATOM 337 O GLU A 21 -7.095 2.862 4.681 1.00 0.00 O ATOM 338 CB GLU A 21 -3.856 2.422 4.816 1.00 0.00 C ATOM 339 CG GLU A 21 -3.701 1.254 5.780 1.00 0.00 C ATOM 340 CD GLU A 21 -4.982 0.926 6.517 1.00 0.00 C ATOM 341 OE1 GLU A 21 -5.406 1.734 7.370 1.00 0.00 O ATOM 342 OE2 GLU A 21 -5.569 -0.145 6.263 1.00 0.00 O ATOM 0 H GLU A 21 -3.429 2.699 2.411 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.346 1.220 3.836 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.908 2.583 4.303 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.065 3.325 5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.370 0.375 5.227 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.921 1.488 6.504 1.00 0.00 H new ATOM 349 N ASN A 22 -5.969 4.426 3.520 1.00 0.00 N ATOM 350 CA ASN A 22 -7.004 5.439 3.675 1.00 0.00 C ATOM 351 C ASN A 22 -8.213 5.108 2.807 1.00 0.00 C ATOM 352 O ASN A 22 -9.354 5.241 3.251 1.00 0.00 O ATOM 353 CB ASN A 22 -6.466 6.830 3.330 1.00 0.00 C ATOM 354 CG ASN A 22 -5.445 7.337 4.335 1.00 0.00 C ATOM 355 OD1 ASN A 22 -4.530 8.082 3.982 1.00 0.00 O ATOM 356 ND2 ASN A 22 -5.600 6.954 5.595 1.00 0.00 N ATOM 0 H ASN A 22 -5.153 4.734 2.992 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.316 5.444 4.719 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.011 6.802 2.340 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.298 7.533 3.279 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.949 7.278 6.310 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.371 6.336 5.849 1.00 0.00 H new ATOM 363 N GLU A 23 -7.958 4.673 1.574 1.00 0.00 N ATOM 364 CA GLU A 23 -9.025 4.217 0.688 1.00 0.00 C ATOM 365 C GLU A 23 -9.819 3.092 1.349 1.00 0.00 C ATOM 366 O GLU A 23 -11.048 3.147 1.423 1.00 0.00 O ATOM 367 CB GLU A 23 -8.465 3.726 -0.653 1.00 0.00 C ATOM 368 CG GLU A 23 -8.552 4.741 -1.785 1.00 0.00 C ATOM 369 CD GLU A 23 -7.486 5.817 -1.727 1.00 0.00 C ATOM 370 OE1 GLU A 23 -6.414 5.623 -2.338 1.00 0.00 O ATOM 371 OE2 GLU A 23 -7.731 6.877 -1.116 1.00 0.00 O ATOM 0 H GLU A 23 -7.024 4.627 1.168 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.682 5.066 0.499 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.421 3.444 -0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.002 2.825 -0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.474 4.216 -2.737 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.534 5.214 -1.761 1.00 0.00 H new ATOM 378 N VAL A 24 -9.097 2.085 1.843 1.00 0.00 N ATOM 379 CA VAL A 24 -9.709 0.934 2.502 1.00 0.00 C ATOM 380 C VAL A 24 -10.631 1.382 3.638 1.00 0.00 C ATOM 381 O VAL A 24 -11.787 0.968 3.719 1.00 0.00 O ATOM 382 CB VAL A 24 -8.646 -0.029 3.088 1.00 0.00 C ATOM 383 CG1 VAL A 24 -9.306 -1.156 3.866 1.00 0.00 C ATOM 384 CG2 VAL A 24 -7.765 -0.605 1.995 1.00 0.00 C ATOM 0 H VAL A 24 -8.079 2.045 1.797 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.283 0.410 1.738 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.021 0.550 3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.539 -1.819 4.267 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.890 -0.739 4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.962 -1.720 3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.029 -1.277 2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.380 -1.158 1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.252 0.205 1.477 1.00 0.00 H new ATOM 394 N ALA A 25 -10.102 2.249 4.497 1.00 0.00 N ATOM 395 CA ALA A 25 -10.816 2.708 5.686 1.00 0.00 C ATOM 396 C ALA A 25 -12.154 3.347 5.340 1.00 0.00 C ATOM 397 O ALA A 25 -13.175 3.030 5.952 1.00 0.00 O ATOM 398 CB ALA A 25 -9.957 3.688 6.466 1.00 0.00 C ATOM 0 H ALA A 25 -9.171 2.652 4.390 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.021 1.832 6.302 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.499 4.024 7.350 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.032 3.198 6.772 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.722 4.547 5.837 1.00 0.00 H new ATOM 404 N ARG A 26 -12.152 4.237 4.354 1.00 0.00 N ATOM 405 CA ARG A 26 -13.365 4.948 3.971 1.00 0.00 C ATOM 406 C ARG A 26 -14.383 3.984 3.389 1.00 0.00 C ATOM 407 O ARG A 26 -15.563 4.025 3.734 1.00 0.00 O ATOM 408 CB ARG A 26 -13.056 6.034 2.948 1.00 0.00 C ATOM 409 CG ARG A 26 -11.960 6.983 3.379 1.00 0.00 C ATOM 410 CD ARG A 26 -11.696 8.026 2.312 1.00 0.00 C ATOM 411 NE ARG A 26 -10.409 8.682 2.497 1.00 0.00 N ATOM 412 CZ ARG A 26 -9.398 8.569 1.640 1.00 0.00 C ATOM 413 NH1 ARG A 26 -9.522 7.809 0.558 1.00 0.00 N ATOM 414 NH2 ARG A 26 -8.262 9.206 1.869 1.00 0.00 N ATOM 0 H ARG A 26 -11.327 4.482 3.807 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.777 5.412 4.867 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.768 5.563 2.008 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -13.963 6.606 2.753 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.244 7.474 4.310 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.047 6.423 3.579 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.725 7.555 1.329 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.490 8.773 2.331 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.276 9.259 3.328 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.394 7.310 0.382 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.745 7.724 -0.097 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.161 9.784 2.703 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.487 9.119 1.212 1.00 0.00 H new ATOM 428 N LEU A 27 -13.914 3.107 2.511 1.00 0.00 N ATOM 429 CA LEU A 27 -14.787 2.131 1.876 1.00 0.00 C ATOM 430 C LEU A 27 -15.412 1.195 2.911 1.00 0.00 C ATOM 431 O LEU A 27 -16.534 0.725 2.727 1.00 0.00 O ATOM 432 CB LEU A 27 -14.022 1.333 0.816 1.00 0.00 C ATOM 433 CG LEU A 27 -13.427 2.164 -0.321 1.00 0.00 C ATOM 434 CD1 LEU A 27 -12.619 1.284 -1.258 1.00 0.00 C ATOM 435 CD2 LEU A 27 -14.523 2.890 -1.088 1.00 0.00 C ATOM 0 H LEU A 27 -12.937 3.052 2.224 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.595 2.672 1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.216 0.788 1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.695 0.590 0.388 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.761 2.909 0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.203 1.893 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.808 0.811 -0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.265 0.515 -1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.078 3.475 -1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.216 2.162 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.062 3.554 -0.412 1.00 0.00 H new ATOM 447 N LYS A 28 -14.701 0.954 4.015 1.00 0.00 N ATOM 448 CA LYS A 28 -15.214 0.097 5.076 1.00 0.00 C ATOM 449 C LYS A 28 -16.424 0.737 5.743 1.00 0.00 C ATOM 450 O LYS A 28 -17.411 0.060 6.023 1.00 0.00 O ATOM 451 CB LYS A 28 -14.139 -0.192 6.134 1.00 0.00 C ATOM 452 CG LYS A 28 -13.061 -1.176 5.697 1.00 0.00 C ATOM 453 CD LYS A 28 -12.077 -1.450 6.824 1.00 0.00 C ATOM 454 CE LYS A 28 -11.173 -2.630 6.503 1.00 0.00 C ATOM 455 NZ LYS A 28 -10.277 -2.974 7.637 1.00 0.00 N ATOM 0 H LYS A 28 -13.774 1.340 4.193 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.510 -0.846 4.617 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.662 0.748 6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.625 -0.581 7.029 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.525 -2.110 5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.528 -0.776 4.834 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.469 -0.563 7.001 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.624 -1.650 7.745 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.785 -3.496 6.250 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.571 -2.397 5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.679 -3.783 7.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.674 -2.157 7.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.850 -3.223 8.469 1.00 0.00 H new ATOM 469 N LYS A 29 -16.343 2.043 6.000 1.00 0.00 N ATOM 470 CA LYS A 29 -17.465 2.788 6.558 1.00 0.00 C ATOM 471 C LYS A 29 -18.720 2.627 5.693 1.00 0.00 C ATOM 472 O LYS A 29 -19.834 2.542 6.210 1.00 0.00 O ATOM 473 CB LYS A 29 -17.090 4.273 6.681 1.00 0.00 C ATOM 474 CG LYS A 29 -18.219 5.178 7.160 1.00 0.00 C ATOM 475 CD LYS A 29 -17.803 6.639 7.139 1.00 0.00 C ATOM 476 CE LYS A 29 -18.924 7.545 7.629 1.00 0.00 C ATOM 477 NZ LYS A 29 -19.312 7.244 9.033 1.00 0.00 N ATOM 0 H LYS A 29 -15.509 2.605 5.829 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.687 2.388 7.547 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -16.251 4.366 7.371 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -16.745 4.628 5.710 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -19.094 5.038 6.526 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -18.510 4.895 8.172 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -16.922 6.777 7.766 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -17.520 6.923 6.125 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -18.607 8.585 7.556 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -19.793 7.430 6.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -19.911 8.011 9.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -19.839 6.348 9.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -18.457 7.162 9.620 1.00 0.00 H new ATOM 491 N LEU A 30 -18.531 2.570 4.379 1.00 0.00 N ATOM 492 CA LEU A 30 -19.653 2.449 3.448 1.00 0.00 C ATOM 493 C LEU A 30 -20.195 1.021 3.399 1.00 0.00 C ATOM 494 O LEU A 30 -21.398 0.808 3.521 1.00 0.00 O ATOM 495 CB LEU A 30 -19.248 2.902 2.041 1.00 0.00 C ATOM 496 CG LEU A 30 -19.330 4.409 1.768 1.00 0.00 C ATOM 497 CD1 LEU A 30 -20.756 4.910 1.947 1.00 0.00 C ATOM 498 CD2 LEU A 30 -18.376 5.186 2.664 1.00 0.00 C ATOM 0 H LEU A 30 -17.614 2.605 3.933 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.446 3.101 3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -18.225 2.575 1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -19.882 2.387 1.319 1.00 0.00 H new ATOM 0 HG LEU A 30 -19.030 4.576 0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -20.793 5.981 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -21.415 4.389 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -21.083 4.719 2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -18.458 6.251 2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -18.632 5.009 3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -17.354 4.856 2.480 1.00 0.00 H new ATOM 510 N VAL A 31 -19.310 0.046 3.216 1.00 0.00 N ATOM 511 CA VAL A 31 -19.713 -1.359 3.185 1.00 0.00 C ATOM 512 C VAL A 31 -20.266 -1.816 4.539 1.00 0.00 C ATOM 513 O VAL A 31 -21.142 -2.681 4.600 1.00 0.00 O ATOM 514 CB VAL A 31 -18.524 -2.269 2.795 1.00 0.00 C ATOM 515 CG1 VAL A 31 -18.958 -3.724 2.680 1.00 0.00 C ATOM 516 CG2 VAL A 31 -17.891 -1.798 1.498 1.00 0.00 C ATOM 0 H VAL A 31 -18.310 0.201 3.087 1.00 0.00 H new ATOM 0 HA VAL A 31 -20.499 -1.445 2.434 1.00 0.00 H new ATOM 0 HB VAL A 31 -17.779 -2.202 3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -18.101 -4.339 2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -19.355 -4.062 3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -19.730 -3.814 1.915 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -17.057 -2.451 1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -18.633 -1.826 0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -17.528 -0.777 1.620 1.00 0.00 H new ATOM 526 N GLY A 32 -19.770 -1.220 5.616 1.00 0.00 N ATOM 527 CA GLY A 32 -20.212 -1.591 6.943 1.00 0.00 C ATOM 528 C GLY A 32 -21.626 -1.136 7.247 1.00 0.00 C ATOM 529 O GLY A 32 -22.311 -1.740 8.076 1.00 0.00 O ATOM 0 H GLY A 32 -19.066 -0.483 5.592 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -20.154 -2.674 7.049 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -19.532 -1.162 7.679 1.00 0.00 H new ATOM 533 N GLU A 33 -22.071 -0.080 6.581 1.00 0.00 N ATOM 534 CA GLU A 33 -23.403 0.453 6.815 1.00 0.00 C ATOM 535 C GLU A 33 -24.046 0.883 5.500 1.00 0.00 C ATOM 536 O GLU A 33 -23.834 2.040 5.074 1.00 0.00 O ATOM 537 CB GLU A 33 -23.338 1.634 7.787 1.00 0.00 C ATOM 538 CG GLU A 33 -24.686 2.013 8.380 1.00 0.00 C ATOM 539 CD GLU A 33 -25.238 0.937 9.292 1.00 0.00 C ATOM 540 OE1 GLU A 33 -26.001 0.074 8.813 1.00 0.00 O ATOM 541 OE2 GLU A 33 -24.904 0.944 10.495 1.00 0.00 O ATOM 542 OXT GLU A 33 -24.763 0.063 4.891 1.00 0.00 O ATOM 0 H GLU A 33 -21.530 0.422 5.877 1.00 0.00 H new ATOM 0 HA GLU A 33 -24.017 -0.331 7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -22.651 1.389 8.597 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -22.924 2.498 7.268 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -24.585 2.943 8.939 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -25.395 2.201 7.574 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 20.559 3.601 5.473 1.00 0.00 N ATOM 551 CA GLY B 1 20.237 2.172 5.706 1.00 0.00 C ATOM 552 C GLY B 1 20.997 1.264 4.767 1.00 0.00 C ATOM 553 O GLY B 1 21.385 1.684 3.678 1.00 0.00 O ATOM 0 H1 GLY B 1 21.097 3.972 6.282 1.00 0.00 H new ATOM 0 H2 GLY B 1 21.129 3.692 4.608 1.00 0.00 H new ATOM 0 H3 GLY B 1 19.678 4.142 5.366 1.00 0.00 H new ATOM 0 HA2 GLY B 1 20.475 1.909 6.737 1.00 0.00 H new ATOM 0 HA3 GLY B 1 19.166 2.015 5.576 1.00 0.00 H new ATOM 559 N SER B 2 21.219 0.025 5.184 1.00 0.00 N ATOM 560 CA SER B 2 21.937 -0.934 4.363 1.00 0.00 C ATOM 561 C SER B 2 21.004 -1.584 3.348 1.00 0.00 C ATOM 562 O SER B 2 19.785 -1.401 3.421 1.00 0.00 O ATOM 563 CB SER B 2 22.570 -2.007 5.249 1.00 0.00 C ATOM 564 OG SER B 2 21.578 -2.698 5.993 1.00 0.00 O ATOM 0 H SER B 2 20.911 -0.337 6.086 1.00 0.00 H new ATOM 0 HA SER B 2 22.721 -0.404 3.821 1.00 0.00 H new ATOM 0 HB2 SER B 2 23.125 -2.713 4.632 1.00 0.00 H new ATOM 0 HB3 SER B 2 23.286 -1.547 5.930 1.00 0.00 H new ATOM 0 HG SER B 2 22.005 -3.381 6.552 1.00 0.00 H new ATOM 570 N MET B 3 21.567 -2.342 2.411 1.00 0.00 N ATOM 571 CA MET B 3 20.767 -3.039 1.412 1.00 0.00 C ATOM 572 C MET B 3 19.732 -3.929 2.085 1.00 0.00 C ATOM 573 O MET B 3 18.551 -3.873 1.759 1.00 0.00 O ATOM 574 CB MET B 3 21.645 -3.892 0.490 1.00 0.00 C ATOM 575 CG MET B 3 22.583 -3.097 -0.406 1.00 0.00 C ATOM 576 SD MET B 3 23.929 -2.309 0.500 1.00 0.00 S ATOM 577 CE MET B 3 24.858 -1.594 -0.855 1.00 0.00 C ATOM 0 H MET B 3 22.573 -2.488 2.324 1.00 0.00 H new ATOM 0 HA MET B 3 20.263 -2.282 0.811 1.00 0.00 H new ATOM 0 HB2 MET B 3 22.238 -4.572 1.102 1.00 0.00 H new ATOM 0 HB3 MET B 3 21.000 -4.507 -0.137 1.00 0.00 H new ATOM 0 HG2 MET B 3 23.002 -3.760 -1.163 1.00 0.00 H new ATOM 0 HG3 MET B 3 22.012 -2.333 -0.933 1.00 0.00 H new ATOM 0 HE1 MET B 3 25.756 -1.114 -0.467 1.00 0.00 H new ATOM 0 HE2 MET B 3 25.141 -2.379 -1.557 1.00 0.00 H new ATOM 0 HE3 MET B 3 24.243 -0.854 -1.367 1.00 0.00 H new ATOM 587 N LYS B 4 20.188 -4.724 3.047 1.00 0.00 N ATOM 588 CA LYS B 4 19.320 -5.665 3.748 1.00 0.00 C ATOM 589 C LYS B 4 18.211 -4.935 4.496 1.00 0.00 C ATOM 590 O LYS B 4 17.044 -5.316 4.416 1.00 0.00 O ATOM 591 CB LYS B 4 20.122 -6.523 4.736 1.00 0.00 C ATOM 592 CG LYS B 4 21.020 -7.573 4.094 1.00 0.00 C ATOM 593 CD LYS B 4 22.205 -6.952 3.374 1.00 0.00 C ATOM 594 CE LYS B 4 23.150 -8.015 2.844 1.00 0.00 C ATOM 595 NZ LYS B 4 24.304 -7.420 2.121 1.00 0.00 N ATOM 0 H LYS B 4 21.158 -4.736 3.361 1.00 0.00 H new ATOM 0 HA LYS B 4 18.872 -6.314 2.996 1.00 0.00 H new ATOM 0 HB2 LYS B 4 20.738 -5.865 5.349 1.00 0.00 H new ATOM 0 HB3 LYS B 4 19.425 -7.024 5.408 1.00 0.00 H new ATOM 0 HG2 LYS B 4 21.381 -8.258 4.861 1.00 0.00 H new ATOM 0 HG3 LYS B 4 20.437 -8.164 3.388 1.00 0.00 H new ATOM 0 HD2 LYS B 4 21.849 -6.335 2.549 1.00 0.00 H new ATOM 0 HD3 LYS B 4 22.742 -6.293 4.056 1.00 0.00 H new ATOM 0 HE2 LYS B 4 23.515 -8.622 3.672 1.00 0.00 H new ATOM 0 HE3 LYS B 4 22.607 -8.682 2.175 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 24.925 -8.179 1.775 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 23.958 -6.861 1.315 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 24.837 -6.803 2.766 1.00 0.00 H new ATOM 609 N GLN B 5 18.582 -3.878 5.209 1.00 0.00 N ATOM 610 CA GLN B 5 17.625 -3.116 6.001 1.00 0.00 C ATOM 611 C GLN B 5 16.547 -2.503 5.114 1.00 0.00 C ATOM 612 O GLN B 5 15.357 -2.541 5.442 1.00 0.00 O ATOM 613 CB GLN B 5 18.340 -2.012 6.780 1.00 0.00 C ATOM 614 CG GLN B 5 17.416 -1.210 7.682 1.00 0.00 C ATOM 615 CD GLN B 5 16.758 -2.068 8.745 1.00 0.00 C ATOM 616 OE1 GLN B 5 17.289 -2.234 9.840 1.00 0.00 O ATOM 617 NE2 GLN B 5 15.600 -2.625 8.428 1.00 0.00 N ATOM 0 H GLN B 5 19.539 -3.529 5.255 1.00 0.00 H new ATOM 0 HA GLN B 5 17.149 -3.801 6.703 1.00 0.00 H new ATOM 0 HB2 GLN B 5 19.129 -2.458 7.386 1.00 0.00 H new ATOM 0 HB3 GLN B 5 18.824 -1.336 6.075 1.00 0.00 H new ATOM 0 HG2 GLN B 5 17.983 -0.413 8.162 1.00 0.00 H new ATOM 0 HG3 GLN B 5 16.646 -0.733 7.076 1.00 0.00 H new ATOM 0 HE21 GLN B 5 15.191 -2.463 7.508 1.00 0.00 H new ATOM 0 HE22 GLN B 5 15.116 -3.216 9.104 1.00 0.00 H new ATOM 626 N LEU B 6 16.967 -1.947 3.989 1.00 0.00 N ATOM 627 CA LEU B 6 16.038 -1.307 3.071 1.00 0.00 C ATOM 628 C LEU B 6 15.233 -2.359 2.316 1.00 0.00 C ATOM 629 O LEU B 6 14.067 -2.141 1.991 1.00 0.00 O ATOM 630 CB LEU B 6 16.777 -0.382 2.093 1.00 0.00 C ATOM 631 CG LEU B 6 17.530 0.790 2.737 1.00 0.00 C ATOM 632 CD1 LEU B 6 18.281 1.589 1.685 1.00 0.00 C ATOM 633 CD2 LEU B 6 16.571 1.693 3.497 1.00 0.00 C ATOM 0 H LEU B 6 17.942 -1.926 3.690 1.00 0.00 H new ATOM 0 HA LEU B 6 15.350 -0.694 3.653 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.488 -0.979 1.522 1.00 0.00 H new ATOM 0 HB3 LEU B 6 16.054 0.019 1.382 1.00 0.00 H new ATOM 0 HG LEU B 6 18.253 0.380 3.442 1.00 0.00 H new ATOM 0 HD11 LEU B 6 18.808 2.415 2.163 1.00 0.00 H new ATOM 0 HD12 LEU B 6 19.000 0.943 1.182 1.00 0.00 H new ATOM 0 HD13 LEU B 6 17.575 1.983 0.955 1.00 0.00 H new ATOM 0 HD21 LEU B 6 17.126 2.517 3.946 1.00 0.00 H new ATOM 0 HD22 LEU B 6 15.823 2.090 2.810 1.00 0.00 H new ATOM 0 HD23 LEU B 6 16.076 1.120 4.281 1.00 0.00 H new ATOM 645 N GLU B 7 15.857 -3.508 2.072 1.00 0.00 N ATOM 646 CA GLU B 7 15.215 -4.626 1.403 1.00 0.00 C ATOM 647 C GLU B 7 13.965 -5.060 2.169 1.00 0.00 C ATOM 648 O GLU B 7 12.901 -5.262 1.577 1.00 0.00 O ATOM 649 CB GLU B 7 16.199 -5.793 1.309 1.00 0.00 C ATOM 650 CG GLU B 7 15.753 -6.898 0.377 1.00 0.00 C ATOM 651 CD GLU B 7 15.944 -6.543 -1.082 1.00 0.00 C ATOM 652 OE1 GLU B 7 14.942 -6.243 -1.764 1.00 0.00 O ATOM 653 OE2 GLU B 7 17.100 -6.566 -1.558 1.00 0.00 O ATOM 0 H GLU B 7 16.826 -3.686 2.335 1.00 0.00 H new ATOM 0 HA GLU B 7 14.917 -4.317 0.401 1.00 0.00 H new ATOM 0 HB2 GLU B 7 17.164 -5.415 0.973 1.00 0.00 H new ATOM 0 HB3 GLU B 7 16.349 -6.210 2.305 1.00 0.00 H new ATOM 0 HG2 GLU B 7 16.313 -7.806 0.602 1.00 0.00 H new ATOM 0 HG3 GLU B 7 14.701 -7.119 0.559 1.00 0.00 H new ATOM 660 N ASP B 8 14.111 -5.189 3.492 1.00 0.00 N ATOM 661 CA ASP B 8 13.001 -5.572 4.366 1.00 0.00 C ATOM 662 C ASP B 8 11.837 -4.604 4.221 1.00 0.00 C ATOM 663 O ASP B 8 10.684 -5.011 4.113 1.00 0.00 O ATOM 664 CB ASP B 8 13.445 -5.618 5.832 1.00 0.00 C ATOM 665 CG ASP B 8 14.339 -6.800 6.142 1.00 0.00 C ATOM 666 OD1 ASP B 8 13.891 -7.954 5.970 1.00 0.00 O ATOM 667 OD2 ASP B 8 15.487 -6.588 6.589 1.00 0.00 O ATOM 0 H ASP B 8 14.992 -5.033 3.981 1.00 0.00 H new ATOM 0 HA ASP B 8 12.677 -6.568 4.063 1.00 0.00 H new ATOM 0 HB2 ASP B 8 13.973 -4.696 6.075 1.00 0.00 H new ATOM 0 HB3 ASP B 8 12.564 -5.658 6.472 1.00 0.00 H new ATOM 672 N LYS B 9 12.151 -3.322 4.242 1.00 0.00 N ATOM 673 CA LYS B 9 11.137 -2.277 4.008 1.00 0.00 C ATOM 674 C LYS B 9 10.409 -2.497 2.691 1.00 0.00 C ATOM 675 O LYS B 9 9.178 -2.558 2.655 1.00 0.00 O ATOM 676 CB LYS B 9 11.746 -0.882 3.947 1.00 0.00 C ATOM 677 CG LYS B 9 12.762 -0.602 5.044 1.00 0.00 C ATOM 678 CD LYS B 9 13.266 0.827 4.980 1.00 0.00 C ATOM 679 CE LYS B 9 14.058 1.195 6.222 1.00 0.00 C ATOM 680 NZ LYS B 9 13.211 1.167 7.444 1.00 0.00 N ATOM 0 H LYS B 9 13.091 -2.967 4.417 1.00 0.00 H new ATOM 0 HA LYS B 9 10.450 -2.348 4.851 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.227 -0.749 2.978 1.00 0.00 H new ATOM 0 HB3 LYS B 9 10.946 -0.144 4.010 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.308 -0.786 6.018 1.00 0.00 H new ATOM 0 HG3 LYS B 9 13.602 -1.290 4.948 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.893 0.953 4.097 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.421 1.507 4.871 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.891 0.502 6.341 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.486 2.190 6.099 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 13.654 1.745 8.187 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 12.270 1.550 7.223 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 13.116 0.187 7.778 1.00 0.00 H new ATOM 694 N VAL B 10 11.193 -2.606 1.620 1.00 0.00 N ATOM 695 CA VAL B 10 10.667 -2.723 0.263 1.00 0.00 C ATOM 696 C VAL B 10 9.668 -3.863 0.199 1.00 0.00 C ATOM 697 O VAL B 10 8.567 -3.723 -0.330 1.00 0.00 O ATOM 698 CB VAL B 10 11.793 -2.980 -0.763 1.00 0.00 C ATOM 699 CG1 VAL B 10 11.220 -3.178 -2.159 1.00 0.00 C ATOM 700 CG2 VAL B 10 12.792 -1.833 -0.759 1.00 0.00 C ATOM 0 H VAL B 10 12.212 -2.616 1.670 1.00 0.00 H new ATOM 0 HA VAL B 10 10.182 -1.780 0.012 1.00 0.00 H new ATOM 0 HB VAL B 10 12.312 -3.894 -0.473 1.00 0.00 H new ATOM 0 HG11 VAL B 10 12.032 -3.357 -2.864 1.00 0.00 H new ATOM 0 HG12 VAL B 10 10.545 -4.034 -2.157 1.00 0.00 H new ATOM 0 HG13 VAL B 10 10.672 -2.285 -2.457 1.00 0.00 H new ATOM 0 HG21 VAL B 10 13.578 -2.032 -1.488 1.00 0.00 H new ATOM 0 HG22 VAL B 10 12.282 -0.905 -1.019 1.00 0.00 H new ATOM 0 HG23 VAL B 10 13.233 -1.738 0.233 1.00 0.00 H new ATOM 710 N GLU B 11 10.055 -4.979 0.790 1.00 0.00 N ATOM 711 CA GLU B 11 9.219 -6.184 0.759 1.00 0.00 C ATOM 712 C GLU B 11 8.022 -6.088 1.716 1.00 0.00 C ATOM 713 O GLU B 11 6.911 -6.483 1.354 1.00 0.00 O ATOM 714 CB GLU B 11 10.040 -7.448 1.048 1.00 0.00 C ATOM 715 CG GLU B 11 10.760 -7.435 2.382 1.00 0.00 C ATOM 716 CD GLU B 11 11.526 -8.713 2.647 1.00 0.00 C ATOM 717 OE1 GLU B 11 11.024 -9.565 3.408 1.00 0.00 O ATOM 718 OE2 GLU B 11 12.630 -8.876 2.095 1.00 0.00 O ATOM 0 H GLU B 11 10.934 -5.085 1.296 1.00 0.00 H new ATOM 0 HA GLU B 11 8.823 -6.257 -0.254 1.00 0.00 H new ATOM 0 HB2 GLU B 11 9.377 -8.313 1.015 1.00 0.00 H new ATOM 0 HB3 GLU B 11 10.775 -7.579 0.254 1.00 0.00 H new ATOM 0 HG2 GLU B 11 11.449 -6.591 2.409 1.00 0.00 H new ATOM 0 HG3 GLU B 11 10.034 -7.280 3.180 1.00 0.00 H new ATOM 725 N GLU B 12 8.236 -5.567 2.927 1.00 0.00 N ATOM 726 CA GLU B 12 7.159 -5.436 3.906 1.00 0.00 C ATOM 727 C GLU B 12 6.040 -4.540 3.368 1.00 0.00 C ATOM 728 O GLU B 12 4.865 -4.910 3.368 1.00 0.00 O ATOM 729 CB GLU B 12 7.720 -4.862 5.210 1.00 0.00 C ATOM 730 CG GLU B 12 6.694 -4.714 6.319 1.00 0.00 C ATOM 731 CD GLU B 12 7.301 -4.171 7.594 1.00 0.00 C ATOM 732 OE1 GLU B 12 7.397 -2.933 7.733 1.00 0.00 O ATOM 733 OE2 GLU B 12 7.691 -4.976 8.466 1.00 0.00 O ATOM 0 H GLU B 12 9.143 -5.231 3.250 1.00 0.00 H new ATOM 0 HA GLU B 12 6.737 -6.422 4.098 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.526 -5.507 5.560 1.00 0.00 H new ATOM 0 HB3 GLU B 12 8.159 -3.886 5.004 1.00 0.00 H new ATOM 0 HG2 GLU B 12 5.897 -4.049 5.987 1.00 0.00 H new ATOM 0 HG3 GLU B 12 6.238 -5.683 6.520 1.00 0.00 H new ATOM 740 N LEU B 13 6.427 -3.363 2.916 1.00 0.00 N ATOM 741 CA LEU B 13 5.499 -2.400 2.331 1.00 0.00 C ATOM 742 C LEU B 13 4.812 -2.947 1.076 1.00 0.00 C ATOM 743 O LEU B 13 3.605 -2.801 0.925 1.00 0.00 O ATOM 744 CB LEU B 13 6.239 -1.106 1.995 1.00 0.00 C ATOM 745 CG LEU B 13 6.875 -0.397 3.192 1.00 0.00 C ATOM 746 CD1 LEU B 13 7.719 0.778 2.728 1.00 0.00 C ATOM 747 CD2 LEU B 13 5.806 0.070 4.169 1.00 0.00 C ATOM 0 H LEU B 13 7.395 -3.042 2.942 1.00 0.00 H new ATOM 0 HA LEU B 13 4.722 -2.203 3.070 1.00 0.00 H new ATOM 0 HB2 LEU B 13 7.019 -1.329 1.267 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.541 -0.420 1.514 1.00 0.00 H new ATOM 0 HG LEU B 13 7.523 -1.107 3.705 1.00 0.00 H new ATOM 0 HD11 LEU B 13 8.164 1.271 3.593 1.00 0.00 H new ATOM 0 HD12 LEU B 13 8.509 0.420 2.068 1.00 0.00 H new ATOM 0 HD13 LEU B 13 7.090 1.487 2.190 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.279 0.572 5.013 1.00 0.00 H new ATOM 0 HD22 LEU B 13 5.132 0.763 3.666 1.00 0.00 H new ATOM 0 HD23 LEU B 13 5.241 -0.790 4.528 1.00 0.00 H new ATOM 759 N LEU B 14 5.581 -3.563 0.180 1.00 0.00 N ATOM 760 CA LEU B 14 5.043 -4.084 -1.074 1.00 0.00 C ATOM 761 C LEU B 14 4.015 -5.190 -0.831 1.00 0.00 C ATOM 762 O LEU B 14 2.960 -5.203 -1.466 1.00 0.00 O ATOM 763 CB LEU B 14 6.173 -4.596 -1.980 1.00 0.00 C ATOM 764 CG LEU B 14 5.729 -5.183 -3.324 1.00 0.00 C ATOM 765 CD1 LEU B 14 5.065 -4.121 -4.189 1.00 0.00 C ATOM 766 CD2 LEU B 14 6.916 -5.796 -4.050 1.00 0.00 C ATOM 0 H LEU B 14 6.583 -3.714 0.301 1.00 0.00 H new ATOM 0 HA LEU B 14 4.535 -3.261 -1.577 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.861 -3.773 -2.173 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.732 -5.358 -1.438 1.00 0.00 H new ATOM 0 HG LEU B 14 4.996 -5.966 -3.129 1.00 0.00 H new ATOM 0 HD11 LEU B 14 4.759 -4.563 -5.137 1.00 0.00 H new ATOM 0 HD12 LEU B 14 4.189 -3.727 -3.673 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.770 -3.312 -4.377 1.00 0.00 H new ATOM 0 HD21 LEU B 14 6.586 -6.209 -5.003 1.00 0.00 H new ATOM 0 HD22 LEU B 14 7.669 -5.029 -4.229 1.00 0.00 H new ATOM 0 HD23 LEU B 14 7.345 -6.590 -3.439 1.00 0.00 H new ATOM 778 N SER B 15 4.305 -6.114 0.083 1.00 0.00 N ATOM 779 CA SER B 15 3.347 -7.161 0.407 1.00 0.00 C ATOM 780 C SER B 15 2.070 -6.556 0.995 1.00 0.00 C ATOM 781 O SER B 15 0.966 -7.032 0.729 1.00 0.00 O ATOM 782 CB SER B 15 3.968 -8.186 1.364 1.00 0.00 C ATOM 783 OG SER B 15 4.636 -7.549 2.440 1.00 0.00 O ATOM 0 H SER B 15 5.181 -6.157 0.603 1.00 0.00 H new ATOM 0 HA SER B 15 3.080 -7.683 -0.512 1.00 0.00 H new ATOM 0 HB2 SER B 15 3.189 -8.841 1.754 1.00 0.00 H new ATOM 0 HB3 SER B 15 4.671 -8.816 0.819 1.00 0.00 H new ATOM 0 HG SER B 15 5.524 -7.256 2.146 1.00 0.00 H new ATOM 789 N LYS B 16 2.226 -5.485 1.764 1.00 0.00 N ATOM 790 CA LYS B 16 1.082 -4.773 2.321 1.00 0.00 C ATOM 791 C LYS B 16 0.347 -4.012 1.219 1.00 0.00 C ATOM 792 O LYS B 16 -0.882 -3.981 1.190 1.00 0.00 O ATOM 793 CB LYS B 16 1.531 -3.811 3.423 1.00 0.00 C ATOM 794 CG LYS B 16 0.382 -3.185 4.198 1.00 0.00 C ATOM 795 CD LYS B 16 -0.451 -4.241 4.919 1.00 0.00 C ATOM 796 CE LYS B 16 -1.493 -3.620 5.841 1.00 0.00 C ATOM 797 NZ LYS B 16 -2.260 -4.650 6.587 1.00 0.00 N ATOM 0 H LYS B 16 3.132 -5.091 2.016 1.00 0.00 H new ATOM 0 HA LYS B 16 0.400 -5.502 2.759 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.177 -4.347 4.119 1.00 0.00 H new ATOM 0 HB3 LYS B 16 2.131 -3.018 2.977 1.00 0.00 H new ATOM 0 HG2 LYS B 16 0.777 -2.474 4.924 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -0.255 -2.623 3.515 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -0.949 -4.873 4.184 1.00 0.00 H new ATOM 0 HD3 LYS B 16 0.208 -4.887 5.500 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -1.000 -2.952 6.548 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -2.180 -3.011 5.254 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -2.958 -4.185 7.202 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -2.752 -5.272 5.914 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -1.608 -5.215 7.168 1.00 0.00 H new ATOM 811 N ASN B 17 1.117 -3.399 0.321 1.00 0.00 N ATOM 812 CA ASN B 17 0.577 -2.716 -0.854 1.00 0.00 C ATOM 813 C ASN B 17 -0.369 -3.629 -1.626 1.00 0.00 C ATOM 814 O ASN B 17 -1.459 -3.216 -2.023 1.00 0.00 O ATOM 815 CB ASN B 17 1.731 -2.265 -1.766 1.00 0.00 C ATOM 816 CG ASN B 17 1.269 -1.759 -3.129 1.00 0.00 C ATOM 817 OD1 ASN B 17 1.130 -2.540 -4.072 1.00 0.00 O ATOM 818 ND2 ASN B 17 1.053 -0.456 -3.262 1.00 0.00 N ATOM 0 H ASN B 17 2.134 -3.362 0.388 1.00 0.00 H new ATOM 0 HA ASN B 17 0.014 -1.844 -0.520 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.292 -1.476 -1.265 1.00 0.00 H new ATOM 0 HB3 ASN B 17 2.416 -3.100 -1.911 1.00 0.00 H new ATOM 0 HD21 ASN B 17 0.764 -0.076 -4.163 1.00 0.00 H new ATOM 0 HD22 ASN B 17 1.176 0.166 -2.463 1.00 0.00 H new ATOM 825 N TYR B 18 0.047 -4.877 -1.807 1.00 0.00 N ATOM 826 CA TYR B 18 -0.769 -5.858 -2.518 1.00 0.00 C ATOM 827 C TYR B 18 -2.078 -6.090 -1.778 1.00 0.00 C ATOM 828 O TYR B 18 -3.155 -6.057 -2.375 1.00 0.00 O ATOM 829 CB TYR B 18 -0.034 -7.197 -2.686 1.00 0.00 C ATOM 830 CG TYR B 18 1.121 -7.168 -3.667 1.00 0.00 C ATOM 831 CD1 TYR B 18 1.009 -6.510 -4.888 1.00 0.00 C ATOM 832 CD2 TYR B 18 2.322 -7.808 -3.375 1.00 0.00 C ATOM 833 CE1 TYR B 18 2.061 -6.487 -5.782 1.00 0.00 C ATOM 834 CE2 TYR B 18 3.375 -7.786 -4.267 1.00 0.00 C ATOM 835 CZ TYR B 18 3.241 -7.125 -5.466 1.00 0.00 C ATOM 836 OH TYR B 18 4.293 -7.101 -6.354 1.00 0.00 O ATOM 0 H TYR B 18 0.942 -5.234 -1.473 1.00 0.00 H new ATOM 0 HA TYR B 18 -0.972 -5.454 -3.510 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.342 -7.514 -1.713 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.751 -7.951 -3.012 1.00 0.00 H new ATOM 0 HD1 TYR B 18 0.086 -6.010 -5.140 1.00 0.00 H new ATOM 0 HD2 TYR B 18 2.432 -8.330 -2.436 1.00 0.00 H new ATOM 0 HE1 TYR B 18 1.960 -5.971 -6.725 1.00 0.00 H new ATOM 0 HE2 TYR B 18 4.301 -8.286 -4.025 1.00 0.00 H new ATOM 0 HH TYR B 18 5.050 -7.597 -5.978 1.00 0.00 H new ATOM 846 N HIS B 19 -1.971 -6.300 -0.471 1.00 0.00 N ATOM 847 CA HIS B 19 -3.135 -6.579 0.363 1.00 0.00 C ATOM 848 C HIS B 19 -4.110 -5.408 0.363 1.00 0.00 C ATOM 849 O HIS B 19 -5.299 -5.592 0.111 1.00 0.00 O ATOM 850 CB HIS B 19 -2.709 -6.911 1.797 1.00 0.00 C ATOM 851 CG HIS B 19 -2.010 -8.230 1.924 1.00 0.00 C ATOM 852 ND1 HIS B 19 -0.786 -8.384 2.536 1.00 0.00 N ATOM 853 CD2 HIS B 19 -2.378 -9.465 1.514 1.00 0.00 C ATOM 854 CE1 HIS B 19 -0.434 -9.654 2.494 1.00 0.00 C ATOM 855 NE2 HIS B 19 -1.381 -10.331 1.878 1.00 0.00 N ATOM 0 H HIS B 19 -1.086 -6.282 0.036 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.643 -7.445 -0.061 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -2.051 -6.123 2.163 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -3.591 -6.913 2.438 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -3.290 -9.721 0.995 1.00 0.00 H new ATOM 0 HE1 HIS B 19 0.478 -10.069 2.897 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -1.373 -11.335 1.701 1.00 0.00 H new ATOM 864 N LEU B 20 -3.597 -4.207 0.621 1.00 0.00 N ATOM 865 CA LEU B 20 -4.436 -3.013 0.678 1.00 0.00 C ATOM 866 C LEU B 20 -5.151 -2.787 -0.647 1.00 0.00 C ATOM 867 O LEU B 20 -6.347 -2.514 -0.671 1.00 0.00 O ATOM 868 CB LEU B 20 -3.609 -1.779 1.037 1.00 0.00 C ATOM 869 CG LEU B 20 -2.940 -1.817 2.411 1.00 0.00 C ATOM 870 CD1 LEU B 20 -2.037 -0.609 2.594 1.00 0.00 C ATOM 871 CD2 LEU B 20 -3.994 -1.864 3.507 1.00 0.00 C ATOM 0 H LEU B 20 -2.606 -4.035 0.794 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.182 -3.173 1.457 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.837 -1.646 0.279 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.255 -0.903 0.990 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.329 -2.717 2.477 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -1.568 -0.651 3.577 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.266 -0.611 1.824 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -2.628 0.303 2.513 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -3.505 -1.891 4.481 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -4.626 -0.978 3.442 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -4.607 -2.757 3.384 1.00 0.00 H new ATOM 883 N GLU B 21 -4.418 -2.927 -1.744 1.00 0.00 N ATOM 884 CA GLU B 21 -4.983 -2.732 -3.075 1.00 0.00 C ATOM 885 C GLU B 21 -6.120 -3.720 -3.328 1.00 0.00 C ATOM 886 O GLU B 21 -7.120 -3.389 -3.968 1.00 0.00 O ATOM 887 CB GLU B 21 -3.894 -2.908 -4.136 1.00 0.00 C ATOM 888 CG GLU B 21 -3.763 -1.738 -5.101 1.00 0.00 C ATOM 889 CD GLU B 21 -5.053 -1.429 -5.828 1.00 0.00 C ATOM 890 OE1 GLU B 21 -5.461 -2.236 -6.691 1.00 0.00 O ATOM 891 OE2 GLU B 21 -5.657 -0.372 -5.559 1.00 0.00 O ATOM 0 H GLU B 21 -3.429 -3.175 -1.739 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.383 -1.720 -3.135 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.937 -3.060 -3.636 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -4.103 -3.813 -4.707 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -3.441 -0.854 -4.551 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -2.985 -1.961 -5.831 1.00 0.00 H new ATOM 898 N ASN B 22 -5.966 -4.935 -2.816 1.00 0.00 N ATOM 899 CA ASN B 22 -6.993 -5.956 -2.959 1.00 0.00 C ATOM 900 C ASN B 22 -8.193 -5.641 -2.077 1.00 0.00 C ATOM 901 O ASN B 22 -9.337 -5.792 -2.501 1.00 0.00 O ATOM 902 CB ASN B 22 -6.438 -7.342 -2.623 1.00 0.00 C ATOM 903 CG ASN B 22 -5.425 -7.838 -3.642 1.00 0.00 C ATOM 904 OD1 ASN B 22 -4.495 -8.568 -3.300 1.00 0.00 O ATOM 905 ND2 ASN B 22 -5.605 -7.466 -4.900 1.00 0.00 N ATOM 0 H ASN B 22 -5.140 -5.236 -2.299 1.00 0.00 H new ATOM 0 HA ASN B 22 -7.318 -5.959 -3.999 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -5.970 -7.311 -1.639 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.262 -8.053 -2.562 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -4.961 -7.786 -5.623 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -6.388 -6.860 -5.146 1.00 0.00 H new ATOM 912 N GLU B 23 -7.926 -5.199 -0.848 1.00 0.00 N ATOM 913 CA GLU B 23 -8.989 -4.758 0.051 1.00 0.00 C ATOM 914 C GLU B 23 -9.802 -3.641 -0.598 1.00 0.00 C ATOM 915 O GLU B 23 -11.030 -3.714 -0.659 1.00 0.00 O ATOM 916 CB GLU B 23 -8.417 -4.264 1.387 1.00 0.00 C ATOM 917 CG GLU B 23 -8.484 -5.281 2.520 1.00 0.00 C ATOM 918 CD GLU B 23 -7.413 -6.351 2.446 1.00 0.00 C ATOM 919 OE1 GLU B 23 -6.330 -6.156 3.041 1.00 0.00 O ATOM 920 OE2 GLU B 23 -7.655 -7.404 1.820 1.00 0.00 O ATOM 0 H GLU B 23 -6.987 -5.137 -0.455 1.00 0.00 H new ATOM 0 HA GLU B 23 -9.636 -5.614 0.245 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -7.377 -3.974 1.237 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -8.957 -3.367 1.689 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -8.396 -4.757 3.472 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -9.463 -5.759 2.509 1.00 0.00 H new ATOM 927 N VAL B 24 -9.099 -2.627 -1.100 1.00 0.00 N ATOM 928 CA VAL B 24 -9.729 -1.481 -1.750 1.00 0.00 C ATOM 929 C VAL B 24 -10.662 -1.938 -2.873 1.00 0.00 C ATOM 930 O VAL B 24 -11.825 -1.540 -2.935 1.00 0.00 O ATOM 931 CB VAL B 24 -8.683 -0.509 -2.351 1.00 0.00 C ATOM 932 CG1 VAL B 24 -9.365 0.612 -3.118 1.00 0.00 C ATOM 933 CG2 VAL B 24 -7.791 0.075 -1.271 1.00 0.00 C ATOM 0 H VAL B 24 -8.081 -2.577 -1.067 1.00 0.00 H new ATOM 0 HA VAL B 24 -10.296 -0.961 -0.978 1.00 0.00 H new ATOM 0 HB VAL B 24 -8.062 -1.082 -3.040 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -8.611 1.282 -3.531 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -9.958 0.190 -3.929 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -10.016 1.170 -2.445 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -7.068 0.753 -1.724 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.401 0.622 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.263 -0.730 -0.760 1.00 0.00 H new ATOM 943 N ALA B 25 -10.133 -2.793 -3.744 1.00 0.00 N ATOM 944 CA ALA B 25 -10.858 -3.262 -4.922 1.00 0.00 C ATOM 945 C ALA B 25 -12.185 -3.922 -4.562 1.00 0.00 C ATOM 946 O ALA B 25 -13.215 -3.634 -5.175 1.00 0.00 O ATOM 947 CB ALA B 25 -9.999 -4.233 -5.711 1.00 0.00 C ATOM 0 H ALA B 25 -9.193 -3.179 -3.654 1.00 0.00 H new ATOM 0 HA ALA B 25 -11.082 -2.386 -5.531 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.549 -4.576 -6.587 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -9.084 -3.733 -6.030 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.746 -5.088 -5.084 1.00 0.00 H new ATOM 953 N ARG B 26 -12.161 -4.806 -3.573 1.00 0.00 N ATOM 954 CA ARG B 26 -13.362 -5.531 -3.175 1.00 0.00 C ATOM 955 C ARG B 26 -14.384 -4.578 -2.582 1.00 0.00 C ATOM 956 O ARG B 26 -15.568 -4.632 -2.915 1.00 0.00 O ATOM 957 CB ARG B 26 -13.030 -6.616 -2.157 1.00 0.00 C ATOM 958 CG ARG B 26 -11.929 -7.552 -2.605 1.00 0.00 C ATOM 959 CD ARG B 26 -11.639 -8.592 -1.544 1.00 0.00 C ATOM 960 NE ARG B 26 -10.347 -9.238 -1.745 1.00 0.00 N ATOM 961 CZ ARG B 26 -9.327 -9.119 -0.897 1.00 0.00 C ATOM 962 NH1 ARG B 26 -9.450 -8.366 0.190 1.00 0.00 N ATOM 963 NH2 ARG B 26 -8.186 -9.749 -1.136 1.00 0.00 N ATOM 0 H ARG B 26 -11.327 -5.038 -3.033 1.00 0.00 H new ATOM 0 HA ARG B 26 -13.780 -6.000 -4.066 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -12.735 -6.145 -1.219 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -13.929 -7.198 -1.953 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -12.220 -8.045 -3.533 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -11.025 -6.981 -2.817 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -11.659 -8.121 -0.561 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -12.426 -9.346 -1.552 1.00 0.00 H new ATOM 0 HE ARG B 26 -10.218 -9.811 -2.579 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -10.326 -7.878 0.376 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -8.668 -8.276 0.839 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -8.088 -10.327 -1.971 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -7.406 -9.656 -0.485 1.00 0.00 H new ATOM 977 N LEU B 27 -13.912 -3.695 -1.710 1.00 0.00 N ATOM 978 CA LEU B 27 -14.786 -2.726 -1.062 1.00 0.00 C ATOM 979 C LEU B 27 -15.433 -1.795 -2.089 1.00 0.00 C ATOM 980 O LEU B 27 -16.557 -1.332 -1.890 1.00 0.00 O ATOM 981 CB LEU B 27 -14.013 -1.921 -0.010 1.00 0.00 C ATOM 982 CG LEU B 27 -13.397 -2.748 1.119 1.00 0.00 C ATOM 983 CD1 LEU B 27 -12.585 -1.862 2.046 1.00 0.00 C ATOM 984 CD2 LEU B 27 -14.476 -3.485 1.899 1.00 0.00 C ATOM 0 H LEU B 27 -12.932 -3.630 -1.436 1.00 0.00 H new ATOM 0 HA LEU B 27 -15.583 -3.274 -0.559 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -13.217 -1.369 -0.510 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -14.686 -1.184 0.427 1.00 0.00 H new ATOM 0 HG LEU B 27 -12.731 -3.487 0.674 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -12.154 -2.468 2.843 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -11.785 -1.382 1.482 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.232 -1.099 2.479 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -14.015 -4.067 2.697 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -15.170 -2.764 2.330 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -15.017 -4.153 1.229 1.00 0.00 H new ATOM 996 N LYS B 28 -14.739 -1.547 -3.202 1.00 0.00 N ATOM 997 CA LYS B 28 -15.271 -0.696 -4.258 1.00 0.00 C ATOM 998 C LYS B 28 -16.486 -1.345 -4.911 1.00 0.00 C ATOM 999 O LYS B 28 -17.479 -0.675 -5.185 1.00 0.00 O ATOM 1000 CB LYS B 28 -14.211 -0.400 -5.325 1.00 0.00 C ATOM 1001 CG LYS B 28 -13.145 0.592 -4.890 1.00 0.00 C ATOM 1002 CD LYS B 28 -12.170 0.886 -6.027 1.00 0.00 C ATOM 1003 CE LYS B 28 -11.278 2.087 -5.724 1.00 0.00 C ATOM 1004 NZ LYS B 28 -10.407 2.436 -6.876 1.00 0.00 N ATOM 0 H LYS B 28 -13.810 -1.924 -3.391 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.570 0.245 -3.797 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.727 -1.335 -5.608 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -14.707 -0.015 -6.216 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -13.618 1.518 -4.564 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.601 0.193 -4.034 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -11.548 0.009 -6.206 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -12.729 1.073 -6.944 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -11.899 2.945 -5.466 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -10.659 1.869 -4.854 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.817 3.256 -6.629 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -9.796 1.627 -7.107 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -10.998 2.669 -7.700 1.00 0.00 H new ATOM 1018 N LYS B 29 -16.397 -2.649 -5.166 1.00 0.00 N ATOM 1019 CA LYS B 29 -17.518 -3.409 -5.712 1.00 0.00 C ATOM 1020 C LYS B 29 -18.766 -3.268 -4.830 1.00 0.00 C ATOM 1021 O LYS B 29 -19.890 -3.208 -5.333 1.00 0.00 O ATOM 1022 CB LYS B 29 -17.125 -4.889 -5.844 1.00 0.00 C ATOM 1023 CG LYS B 29 -18.251 -5.807 -6.309 1.00 0.00 C ATOM 1024 CD LYS B 29 -17.819 -7.263 -6.294 1.00 0.00 C ATOM 1025 CE LYS B 29 -18.936 -8.179 -6.769 1.00 0.00 C ATOM 1026 NZ LYS B 29 -19.346 -7.879 -8.166 1.00 0.00 N ATOM 0 H LYS B 29 -15.556 -3.203 -5.002 1.00 0.00 H new ATOM 0 HA LYS B 29 -17.758 -3.009 -6.697 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -16.295 -4.970 -6.546 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -16.761 -5.242 -4.879 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -19.119 -5.677 -5.663 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -18.558 -5.527 -7.317 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -16.945 -7.391 -6.933 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.520 -7.545 -5.284 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -18.607 -9.216 -6.702 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -19.796 -8.074 -6.108 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -19.942 -8.651 -8.526 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -19.883 -6.988 -8.187 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -18.500 -7.787 -8.764 1.00 0.00 H new ATOM 1040 N LEU B 30 -18.560 -3.201 -3.518 1.00 0.00 N ATOM 1041 CA LEU B 30 -19.670 -3.092 -2.573 1.00 0.00 C ATOM 1042 C LEU B 30 -20.224 -1.669 -2.518 1.00 0.00 C ATOM 1043 O LEU B 30 -21.431 -1.465 -2.629 1.00 0.00 O ATOM 1044 CB LEU B 30 -19.243 -3.541 -1.171 1.00 0.00 C ATOM 1045 CG LEU B 30 -19.304 -5.052 -0.896 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -20.724 -5.569 -1.058 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -18.352 -5.817 -1.804 1.00 0.00 C ATOM 0 H LEU B 30 -17.637 -3.220 -3.084 1.00 0.00 H new ATOM 0 HA LEU B 30 -20.461 -3.752 -2.929 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -18.221 -3.202 -0.999 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -19.874 -3.034 -0.441 1.00 0.00 H new ATOM 0 HG LEU B 30 -18.990 -5.216 0.135 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -20.746 -6.640 -0.859 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -21.380 -5.056 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -21.065 -5.382 -2.076 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -18.418 -6.883 -1.585 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -18.623 -5.643 -2.845 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -17.332 -5.474 -1.633 1.00 0.00 H new ATOM 1059 N VAL B 31 -19.345 -0.687 -2.343 1.00 0.00 N ATOM 1060 CA VAL B 31 -19.761 0.715 -2.305 1.00 0.00 C ATOM 1061 C VAL B 31 -20.337 1.166 -3.652 1.00 0.00 C ATOM 1062 O VAL B 31 -21.233 2.009 -3.698 1.00 0.00 O ATOM 1063 CB VAL B 31 -18.576 1.635 -1.930 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -19.024 3.085 -1.808 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -17.923 1.168 -0.641 1.00 0.00 C ATOM 0 H VAL B 31 -18.342 -0.833 -2.225 1.00 0.00 H new ATOM 0 HA VAL B 31 -20.537 0.795 -1.544 1.00 0.00 H new ATOM 0 HB VAL B 31 -17.840 1.577 -2.732 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -18.170 3.709 -1.544 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -19.437 3.420 -2.760 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -19.786 3.166 -1.033 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -17.092 1.828 -0.394 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -18.655 1.189 0.166 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -17.553 0.151 -0.768 1.00 0.00 H new ATOM 1075 N GLY B 32 -19.844 0.580 -4.738 1.00 0.00 N ATOM 1076 CA GLY B 32 -20.308 0.951 -6.058 1.00 0.00 C ATOM 1077 C GLY B 32 -21.722 0.484 -6.340 1.00 0.00 C ATOM 1078 O GLY B 32 -22.427 1.089 -7.145 1.00 0.00 O ATOM 0 H GLY B 32 -19.129 -0.147 -4.725 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -20.261 2.035 -6.162 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -19.636 0.530 -6.805 1.00 0.00 H new ATOM 1082 N GLU B 33 -22.145 -0.583 -5.676 1.00 0.00 N ATOM 1083 CA GLU B 33 -23.475 -1.126 -5.890 1.00 0.00 C ATOM 1084 C GLU B 33 -24.088 -1.554 -4.560 1.00 0.00 C ATOM 1085 O GLU B 33 -23.869 -2.708 -4.138 1.00 0.00 O ATOM 1086 CB GLU B 33 -23.412 -2.310 -6.857 1.00 0.00 C ATOM 1087 CG GLU B 33 -24.763 -2.703 -7.429 1.00 0.00 C ATOM 1088 CD GLU B 33 -25.340 -1.636 -8.335 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -26.122 -0.794 -7.852 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -25.011 -1.637 -9.540 1.00 0.00 O ATOM 1091 OXT GLU B 33 -24.773 -0.720 -3.927 1.00 0.00 O ATOM 0 H GLU B 33 -21.587 -1.087 -4.987 1.00 0.00 H new ATOM 0 HA GLU B 33 -24.105 -0.353 -6.330 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -22.738 -2.063 -7.677 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -22.983 -3.168 -6.340 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -24.661 -3.633 -7.988 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -25.458 -2.896 -6.612 1.00 0.00 H new TER 1098 GLU B 33