USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 706 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 76 THR OG1 : rot -20:sc= 2.69 USER MOD Set 1.2: A 85 TYR OH : rot 82:sc= 0.7! USER MOD Set 2.1: A 16 SER OG : rot -108:sc= 1.04 USER MOD Set 2.2: A 66 ASN :FLIP amide:sc= -2.24! C(o=-5.7!,f=-1.2!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc= -1.59 K(o=-1.6,f=-3.2!) USER MOD Single : A 23 LYS NZ :NH3+ -152:sc= -0.1 (180deg=-0.591) USER MOD Single : A 29 THR OG1 : rot -164:sc= -4.61! USER MOD Single : A 35 SER OG : rot 91:sc= 0.895 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -78:sc= 0.629 USER MOD Single : A 45 ASN :FLIP amide:sc= 0.527 F(o=0,f=0.53) USER MOD Single : A 48 MET CE :methyl -149:sc= -5.41! (180deg=-7.58!) USER MOD Single : A 50 LYS NZ :NH3+ 162:sc= -0.0148 (180deg=-0.464) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -3.46! C(o=-3.5!,f=-3.3!) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.415 F(o=-1.3,f=-0.42) USER MOD Single : A 59 MET CE :methyl -173:sc= -1.87 (180deg=-2.05) USER MOD Single : A 60 ASN : amide:sc= -10.7! C(o=-11!,f=-22!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.688 USER MOD Single : A 67 THR OG1 : rot 117:sc= 0.795 USER MOD Single : A 68 MET CE :methyl 168:sc= -0.043 (180deg=-0.152) USER MOD Single : A 70 ASN : amide:sc= -1.38 K(o=-1.4,f=-2.9!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= -4.72! USER MOD Single : A 73 THR OG1 : rot 16:sc= 0.731 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -1.17 K(o=-1.2,f=-5.1!) USER MOD Single : A 87 GLN : amide:sc= 0.397 K(o=0.4,f=-9.1!) USER MOD Single : A 89 SER OG : rot 160:sc= -1.01 USER MOD Single : A 90 ASN : amide:sc= -1.19! C(o=-1.2!,f=-2.1!) USER MOD Single : A 91 HIS : no HD1:sc= -0.494 X(o=-0.49,f=-0.29) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 29:sc= 0.139 USER MOD Single : A 98 SER OG : rot 180:sc= 0.124 USER MOD Single : A 99 SER OG : rot 60:sc= 0.00671 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 12 -17.243 14.861 0.922 1.00 0.00 N ATOM 2 CA SER A 12 -16.246 14.156 0.076 1.00 0.00 C ATOM 3 C SER A 12 -15.303 13.308 0.927 1.00 0.00 C ATOM 4 O SER A 12 -14.146 13.672 1.139 1.00 0.00 O ATOM 5 CB SER A 12 -15.451 15.197 -0.712 1.00 0.00 C ATOM 6 OG SER A 12 -15.655 15.047 -2.107 1.00 0.00 O ATOM 0 HA SER A 12 -16.767 13.485 -0.607 1.00 0.00 H new ATOM 0 HB2 SER A 12 -15.751 16.198 -0.403 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.390 15.098 -0.484 1.00 0.00 H new ATOM 0 HG SER A 12 -15.137 15.726 -2.588 1.00 0.00 H new ATOM 11 N GLY A 13 -15.807 12.178 1.411 1.00 0.00 N ATOM 12 CA GLY A 13 -14.998 11.297 2.232 1.00 0.00 C ATOM 13 C GLY A 13 -15.123 9.844 1.821 1.00 0.00 C ATOM 14 O GLY A 13 -15.599 9.012 2.594 1.00 0.00 O ATOM 0 H GLY A 13 -16.761 11.857 1.249 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -13.953 11.601 2.166 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -15.295 11.403 3.275 1.00 0.00 H new ATOM 18 N VAL A 14 -14.695 9.537 0.601 1.00 0.00 N ATOM 19 CA VAL A 14 -14.761 8.174 0.088 1.00 0.00 C ATOM 20 C VAL A 14 -14.127 7.188 1.064 1.00 0.00 C ATOM 21 O VAL A 14 -12.938 7.281 1.371 1.00 0.00 O ATOM 22 CB VAL A 14 -14.057 8.052 -1.277 1.00 0.00 C ATOM 23 CG1 VAL A 14 -12.547 8.109 -1.106 1.00 0.00 C ATOM 24 CG2 VAL A 14 -14.475 6.770 -1.980 1.00 0.00 C ATOM 0 H VAL A 14 -14.299 10.214 -0.051 1.00 0.00 H new ATOM 0 HA VAL A 14 -15.817 7.933 -0.034 1.00 0.00 H new ATOM 0 HB VAL A 14 -14.360 8.894 -1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.067 8.021 -2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.268 9.058 -0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.222 7.288 -0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -13.968 6.701 -2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.204 5.912 -1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -15.553 6.777 -2.138 1.00 0.00 H new ATOM 34 N PRO A 15 -14.918 6.227 1.565 1.00 0.00 N ATOM 35 CA PRO A 15 -14.435 5.217 2.512 1.00 0.00 C ATOM 36 C PRO A 15 -13.187 4.499 2.008 1.00 0.00 C ATOM 37 O PRO A 15 -13.228 3.801 0.994 1.00 0.00 O ATOM 38 CB PRO A 15 -15.608 4.240 2.620 1.00 0.00 C ATOM 39 CG PRO A 15 -16.808 5.047 2.267 1.00 0.00 C ATOM 40 CD PRO A 15 -16.346 6.051 1.247 1.00 0.00 C ATOM 0 HA PRO A 15 -14.143 5.659 3.465 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -15.484 3.397 1.941 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -15.689 3.829 3.626 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -17.598 4.415 1.862 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -17.217 5.544 3.147 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -16.489 5.686 0.230 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -16.895 6.989 1.329 1.00 0.00 H new ATOM 48 N SER A 16 -12.081 4.675 2.722 1.00 0.00 N ATOM 49 CA SER A 16 -10.821 4.043 2.349 1.00 0.00 C ATOM 50 C SER A 16 -10.076 3.543 3.583 1.00 0.00 C ATOM 51 O SER A 16 -10.333 3.995 4.700 1.00 0.00 O ATOM 52 CB SER A 16 -9.943 5.027 1.573 1.00 0.00 C ATOM 53 OG SER A 16 -9.509 6.088 2.404 1.00 0.00 O ATOM 0 H SER A 16 -12.031 5.250 3.563 1.00 0.00 H new ATOM 0 HA SER A 16 -11.047 3.188 1.712 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.078 4.504 1.165 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.501 5.428 0.727 1.00 0.00 H new ATOM 0 HG SER A 16 -9.984 6.910 2.160 1.00 0.00 H new ATOM 59 N ARG A 17 -9.154 2.610 3.375 1.00 0.00 N ATOM 60 CA ARG A 17 -8.374 2.049 4.472 1.00 0.00 C ATOM 61 C ARG A 17 -7.237 1.179 3.943 1.00 0.00 C ATOM 62 O ARG A 17 -6.099 1.283 4.399 1.00 0.00 O ATOM 63 CB ARG A 17 -9.272 1.227 5.398 1.00 0.00 C ATOM 64 CG ARG A 17 -9.335 1.765 6.819 1.00 0.00 C ATOM 65 CD ARG A 17 -10.492 1.155 7.594 1.00 0.00 C ATOM 66 NE ARG A 17 -10.953 -0.096 6.999 1.00 0.00 N ATOM 67 CZ ARG A 17 -11.861 -0.160 6.031 1.00 0.00 C ATOM 68 NH1 ARG A 17 -12.405 0.951 5.554 1.00 0.00 N ATOM 69 NH2 ARG A 17 -12.226 -1.336 5.539 1.00 0.00 N ATOM 0 H ARG A 17 -8.928 2.226 2.457 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.943 2.876 5.036 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.280 1.200 4.983 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.910 0.199 5.423 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.398 1.550 7.333 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.443 2.849 6.794 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.183 0.974 8.623 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.318 1.865 7.630 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.556 -0.969 7.346 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.127 1.857 5.930 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.102 0.899 4.811 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.810 -2.193 5.904 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.923 -1.384 4.796 1.00 0.00 H new ATOM 83 N VAL A 18 -7.556 0.321 2.978 1.00 0.00 N ATOM 84 CA VAL A 18 -6.562 -0.567 2.387 1.00 0.00 C ATOM 85 C VAL A 18 -5.850 0.105 1.217 1.00 0.00 C ATOM 86 O VAL A 18 -6.478 0.784 0.404 1.00 0.00 O ATOM 87 CB VAL A 18 -7.202 -1.880 1.899 1.00 0.00 C ATOM 88 CG1 VAL A 18 -8.325 -1.592 0.915 1.00 0.00 C ATOM 89 CG2 VAL A 18 -6.152 -2.785 1.271 1.00 0.00 C ATOM 0 H VAL A 18 -8.494 0.223 2.590 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.836 -0.794 3.168 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.627 -2.398 2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.766 -2.531 0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.089 -0.986 1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.927 -1.052 0.056 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.623 -3.708 0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.695 -2.277 0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.385 -3.019 2.009 1.00 0.00 H new ATOM 99 N ILE A 19 -4.538 -0.090 1.137 1.00 0.00 N ATOM 100 CA ILE A 19 -3.742 0.497 0.066 1.00 0.00 C ATOM 101 C ILE A 19 -3.064 -0.582 -0.771 1.00 0.00 C ATOM 102 O ILE A 19 -2.089 -1.197 -0.337 1.00 0.00 O ATOM 103 CB ILE A 19 -2.667 1.450 0.624 1.00 0.00 C ATOM 104 CG1 ILE A 19 -3.323 2.602 1.387 1.00 0.00 C ATOM 105 CG2 ILE A 19 -1.791 1.981 -0.501 1.00 0.00 C ATOM 106 CD1 ILE A 19 -4.277 3.420 0.544 1.00 0.00 C ATOM 0 H ILE A 19 -4.004 -0.650 1.801 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.428 1.063 -0.564 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.034 0.894 1.316 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.863 2.199 2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.545 3.257 1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.037 2.652 -0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.299 1.148 -1.003 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.408 2.524 -1.217 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.705 4.219 1.150 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.738 3.853 -0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.076 2.778 0.173 1.00 0.00 H new ATOM 118 N HIS A 20 -3.583 -0.806 -1.973 1.00 0.00 N ATOM 119 CA HIS A 20 -3.026 -1.811 -2.872 1.00 0.00 C ATOM 120 C HIS A 20 -1.776 -1.280 -3.567 1.00 0.00 C ATOM 121 O HIS A 20 -1.860 -0.424 -4.448 1.00 0.00 O ATOM 122 CB HIS A 20 -4.066 -2.229 -3.914 1.00 0.00 C ATOM 123 CG HIS A 20 -3.480 -2.956 -5.083 1.00 0.00 C ATOM 124 ND1 HIS A 20 -3.993 -2.867 -6.360 1.00 0.00 N ATOM 125 CD2 HIS A 20 -2.416 -3.791 -5.166 1.00 0.00 C ATOM 126 CE1 HIS A 20 -3.272 -3.614 -7.176 1.00 0.00 C ATOM 127 NE2 HIS A 20 -2.309 -4.185 -6.476 1.00 0.00 N ATOM 0 H HIS A 20 -4.389 -0.305 -2.348 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.750 -2.682 -2.278 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -4.811 -2.865 -3.437 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -4.587 -1.341 -4.272 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -4.803 -2.311 -6.632 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.772 -4.091 -4.352 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -3.441 -3.737 -8.236 1.00 0.00 H new ATOM 136 N ILE A 21 -0.619 -1.791 -3.162 1.00 0.00 N ATOM 137 CA ILE A 21 0.650 -1.366 -3.742 1.00 0.00 C ATOM 138 C ILE A 21 0.970 -2.146 -5.013 1.00 0.00 C ATOM 139 O ILE A 21 1.124 -3.367 -4.982 1.00 0.00 O ATOM 140 CB ILE A 21 1.809 -1.543 -2.743 1.00 0.00 C ATOM 141 CG1 ILE A 21 1.420 -0.981 -1.374 1.00 0.00 C ATOM 142 CG2 ILE A 21 3.067 -0.865 -3.264 1.00 0.00 C ATOM 143 CD1 ILE A 21 2.566 -0.953 -0.384 1.00 0.00 C ATOM 0 H ILE A 21 -0.533 -2.500 -2.434 1.00 0.00 H new ATOM 0 HA ILE A 21 0.544 -0.309 -3.987 1.00 0.00 H new ATOM 0 HB ILE A 21 2.015 -2.608 -2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.036 0.031 -1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.609 -1.580 -0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.876 -0.999 -2.546 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.351 -1.309 -4.218 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.877 0.199 -3.401 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.218 -0.543 0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.936 -1.966 -0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.370 -0.330 -0.776 1.00 0.00 H new ATOM 155 N ARG A 22 1.076 -1.431 -6.128 1.00 0.00 N ATOM 156 CA ARG A 22 1.388 -2.053 -7.409 1.00 0.00 C ATOM 157 C ARG A 22 2.862 -1.862 -7.750 1.00 0.00 C ATOM 158 O ARG A 22 3.568 -1.106 -7.080 1.00 0.00 O ATOM 159 CB ARG A 22 0.510 -1.467 -8.517 1.00 0.00 C ATOM 160 CG ARG A 22 0.936 -0.077 -8.963 1.00 0.00 C ATOM 161 CD ARG A 22 0.562 0.182 -10.414 1.00 0.00 C ATOM 162 NE ARG A 22 -0.467 -0.739 -10.889 1.00 0.00 N ATOM 163 CZ ARG A 22 -0.614 -1.087 -12.163 1.00 0.00 C ATOM 164 NH1 ARG A 22 0.198 -0.590 -13.086 1.00 0.00 N ATOM 165 NH2 ARG A 22 -1.573 -1.932 -12.516 1.00 0.00 N ATOM 0 H ARG A 22 0.950 -0.420 -6.170 1.00 0.00 H new ATOM 0 HA ARG A 22 1.184 -3.121 -7.330 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.530 -2.137 -9.377 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.522 -1.427 -8.168 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.465 0.671 -8.326 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.013 0.032 -8.839 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.207 1.207 -10.519 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.450 0.087 -11.039 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.109 -1.138 -10.204 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.937 0.060 -12.819 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.084 -0.858 -14.063 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.200 -2.316 -11.809 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.684 -2.198 -13.495 1.00 0.00 H new ATOM 179 N LYS A 23 3.325 -2.550 -8.786 1.00 0.00 N ATOM 180 CA LYS A 23 4.720 -2.450 -9.197 1.00 0.00 C ATOM 181 C LYS A 23 5.637 -2.602 -7.991 1.00 0.00 C ATOM 182 O LYS A 23 6.711 -2.003 -7.932 1.00 0.00 O ATOM 183 CB LYS A 23 4.980 -1.106 -9.879 1.00 0.00 C ATOM 184 CG LYS A 23 5.811 -1.218 -11.146 1.00 0.00 C ATOM 185 CD LYS A 23 5.195 -0.425 -12.288 1.00 0.00 C ATOM 186 CE LYS A 23 4.670 -1.339 -13.382 1.00 0.00 C ATOM 187 NZ LYS A 23 5.748 -2.187 -13.963 1.00 0.00 N ATOM 0 H LYS A 23 2.759 -3.180 -9.354 1.00 0.00 H new ATOM 0 HA LYS A 23 4.928 -3.252 -9.906 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.025 -0.640 -10.121 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.489 -0.445 -9.178 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.821 -0.856 -10.953 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.898 -2.266 -11.434 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.381 0.192 -11.906 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.940 0.253 -12.705 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.885 -1.977 -12.976 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.216 -0.738 -14.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.512 -2.422 -14.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.649 -1.669 -13.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.837 -3.063 -13.410 1.00 0.00 H new ATOM 201 N LEU A 24 5.201 -3.404 -7.025 1.00 0.00 N ATOM 202 CA LEU A 24 5.974 -3.632 -5.813 1.00 0.00 C ATOM 203 C LEU A 24 6.384 -5.093 -5.689 1.00 0.00 C ATOM 204 O LEU A 24 5.537 -5.987 -5.684 1.00 0.00 O ATOM 205 CB LEU A 24 5.162 -3.222 -4.583 1.00 0.00 C ATOM 206 CG LEU A 24 5.772 -3.636 -3.242 1.00 0.00 C ATOM 207 CD1 LEU A 24 6.669 -2.533 -2.703 1.00 0.00 C ATOM 208 CD2 LEU A 24 4.679 -3.974 -2.239 1.00 0.00 C ATOM 0 H LEU A 24 4.314 -3.907 -7.060 1.00 0.00 H new ATOM 0 HA LEU A 24 6.876 -3.023 -5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.039 -2.139 -4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.165 -3.656 -4.662 1.00 0.00 H new ATOM 0 HG LEU A 24 6.379 -4.527 -3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.095 -2.844 -1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.473 -2.338 -3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.083 -1.625 -2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.132 -4.266 -1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.045 -3.101 -2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.076 -4.797 -2.622 1.00 0.00 H new ATOM 220 N PRO A 25 7.693 -5.355 -5.574 1.00 0.00 N ATOM 221 CA PRO A 25 8.211 -6.715 -5.435 1.00 0.00 C ATOM 222 C PRO A 25 7.884 -7.302 -4.070 1.00 0.00 C ATOM 223 O PRO A 25 8.750 -7.384 -3.198 1.00 0.00 O ATOM 224 CB PRO A 25 9.721 -6.538 -5.599 1.00 0.00 C ATOM 225 CG PRO A 25 9.986 -5.135 -5.172 1.00 0.00 C ATOM 226 CD PRO A 25 8.765 -4.346 -5.558 1.00 0.00 C ATOM 0 HA PRO A 25 7.775 -7.403 -6.159 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.272 -7.250 -4.984 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.029 -6.703 -6.631 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.162 -5.081 -4.098 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.876 -4.740 -5.661 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.558 -3.552 -4.841 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.885 -3.873 -6.532 1.00 0.00 H new ATOM 234 N ILE A 26 6.623 -7.697 -3.891 1.00 0.00 N ATOM 235 CA ILE A 26 6.164 -8.269 -2.629 1.00 0.00 C ATOM 236 C ILE A 26 7.285 -9.023 -1.929 1.00 0.00 C ATOM 237 O ILE A 26 8.184 -9.557 -2.578 1.00 0.00 O ATOM 238 CB ILE A 26 4.957 -9.202 -2.849 1.00 0.00 C ATOM 239 CG1 ILE A 26 3.716 -8.376 -3.182 1.00 0.00 C ATOM 240 CG2 ILE A 26 4.703 -10.063 -1.621 1.00 0.00 C ATOM 241 CD1 ILE A 26 3.205 -7.560 -2.015 1.00 0.00 C ATOM 0 H ILE A 26 5.901 -7.630 -4.608 1.00 0.00 H new ATOM 0 HA ILE A 26 5.851 -7.442 -1.991 1.00 0.00 H new ATOM 0 HB ILE A 26 5.181 -9.864 -3.685 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.946 -7.706 -4.011 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.925 -9.044 -3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.846 -10.712 -1.803 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.583 -10.673 -1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.497 -9.422 -0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.323 -6.998 -2.322 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.943 -8.226 -1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.980 -6.867 -1.688 1.00 0.00 H new ATOM 253 N ASP A 27 7.234 -9.025 -0.600 1.00 0.00 N ATOM 254 CA ASP A 27 8.248 -9.671 0.226 1.00 0.00 C ATOM 255 C ASP A 27 9.278 -8.639 0.682 1.00 0.00 C ATOM 256 O ASP A 27 10.293 -8.981 1.289 1.00 0.00 O ATOM 257 CB ASP A 27 8.923 -10.824 -0.527 1.00 0.00 C ATOM 258 CG ASP A 27 10.197 -10.407 -1.241 1.00 0.00 C ATOM 259 OD1 ASP A 27 10.305 -9.220 -1.616 1.00 0.00 O ATOM 260 OD2 ASP A 27 11.084 -11.267 -1.425 1.00 0.00 O ATOM 0 H ASP A 27 6.488 -8.579 -0.066 1.00 0.00 H new ATOM 0 HA ASP A 27 7.763 -10.096 1.105 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.154 -11.624 0.177 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.223 -11.233 -1.256 1.00 0.00 H new ATOM 265 N VAL A 28 8.993 -7.368 0.393 1.00 0.00 N ATOM 266 CA VAL A 28 9.877 -6.275 0.779 1.00 0.00 C ATOM 267 C VAL A 28 9.974 -6.194 2.295 1.00 0.00 C ATOM 268 O VAL A 28 9.829 -7.204 2.984 1.00 0.00 O ATOM 269 CB VAL A 28 9.391 -4.917 0.217 1.00 0.00 C ATOM 270 CG1 VAL A 28 10.573 -3.995 -0.052 1.00 0.00 C ATOM 271 CG2 VAL A 28 8.576 -5.112 -1.054 1.00 0.00 C ATOM 0 H VAL A 28 8.155 -7.073 -0.108 1.00 0.00 H new ATOM 0 HA VAL A 28 10.860 -6.482 0.356 1.00 0.00 H new ATOM 0 HB VAL A 28 8.749 -4.454 0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.211 -3.045 -0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.116 -3.819 0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.239 -4.460 -0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.247 -4.142 -1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 28 9.191 -5.602 -1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.706 -5.731 -0.837 1.00 0.00 H new ATOM 281 N THR A 29 10.223 -5.004 2.814 1.00 0.00 N ATOM 282 CA THR A 29 10.340 -4.826 4.254 1.00 0.00 C ATOM 283 C THR A 29 9.307 -3.840 4.787 1.00 0.00 C ATOM 284 O THR A 29 8.908 -2.904 4.095 1.00 0.00 O ATOM 285 CB THR A 29 11.747 -4.344 4.651 1.00 0.00 C ATOM 286 OG1 THR A 29 12.040 -3.100 4.004 1.00 0.00 O ATOM 287 CG2 THR A 29 12.799 -5.377 4.272 1.00 0.00 C ATOM 0 H THR A 29 10.347 -4.152 2.267 1.00 0.00 H new ATOM 0 HA THR A 29 10.158 -5.804 4.700 1.00 0.00 H new ATOM 0 HB THR A 29 11.768 -4.205 5.732 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.003 -2.925 4.053 1.00 0.00 H new ATOM 0 HG21 THR A 29 13.785 -5.015 4.562 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.591 -6.315 4.787 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.775 -5.542 3.195 1.00 0.00 H new ATOM 295 N GLU A 30 8.884 -4.061 6.027 1.00 0.00 N ATOM 296 CA GLU A 30 7.901 -3.198 6.669 1.00 0.00 C ATOM 297 C GLU A 30 8.473 -1.803 6.896 1.00 0.00 C ATOM 298 O GLU A 30 8.017 -0.829 6.299 1.00 0.00 O ATOM 299 CB GLU A 30 7.456 -3.805 8.001 1.00 0.00 C ATOM 300 CG GLU A 30 7.040 -5.262 7.896 1.00 0.00 C ATOM 301 CD GLU A 30 8.007 -6.197 8.597 1.00 0.00 C ATOM 302 OE1 GLU A 30 9.077 -5.724 9.033 1.00 0.00 O ATOM 303 OE2 GLU A 30 7.693 -7.400 8.708 1.00 0.00 O ATOM 0 H GLU A 30 9.208 -4.834 6.609 1.00 0.00 H new ATOM 0 HA GLU A 30 7.037 -3.114 6.010 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.271 -3.719 8.720 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.621 -3.225 8.394 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.046 -5.384 8.326 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.969 -5.541 6.845 1.00 0.00 H new ATOM 310 N GLY A 31 9.479 -1.714 7.760 1.00 0.00 N ATOM 311 CA GLY A 31 10.098 -0.434 8.045 1.00 0.00 C ATOM 312 C GLY A 31 10.257 0.414 6.799 1.00 0.00 C ATOM 313 O GLY A 31 10.235 1.643 6.869 1.00 0.00 O ATOM 0 H GLY A 31 9.876 -2.505 8.267 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.494 0.105 8.775 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.076 -0.598 8.498 1.00 0.00 H new ATOM 317 N GLU A 32 10.415 -0.245 5.656 1.00 0.00 N ATOM 318 CA GLU A 32 10.576 0.453 4.386 1.00 0.00 C ATOM 319 C GLU A 32 9.221 0.860 3.819 1.00 0.00 C ATOM 320 O GLU A 32 8.943 2.046 3.635 1.00 0.00 O ATOM 321 CB GLU A 32 11.317 -0.433 3.384 1.00 0.00 C ATOM 322 CG GLU A 32 12.811 -0.529 3.647 1.00 0.00 C ATOM 323 CD GLU A 32 13.128 -0.927 5.075 1.00 0.00 C ATOM 324 OE1 GLU A 32 12.822 -0.137 5.993 1.00 0.00 O ATOM 325 OE2 GLU A 32 13.681 -2.028 5.275 1.00 0.00 O ATOM 0 H GLU A 32 10.435 -1.262 5.583 1.00 0.00 H new ATOM 0 HA GLU A 32 11.163 1.354 4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.887 -1.434 3.409 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.158 -0.043 2.379 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.250 -1.257 2.965 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.277 0.432 3.430 1.00 0.00 H new ATOM 332 N VAL A 33 8.377 -0.130 3.546 1.00 0.00 N ATOM 333 CA VAL A 33 7.049 0.126 3.003 1.00 0.00 C ATOM 334 C VAL A 33 6.273 1.089 3.897 1.00 0.00 C ATOM 335 O VAL A 33 5.774 2.117 3.437 1.00 0.00 O ATOM 336 CB VAL A 33 6.244 -1.177 2.846 1.00 0.00 C ATOM 337 CG1 VAL A 33 4.880 -0.894 2.235 1.00 0.00 C ATOM 338 CG2 VAL A 33 7.016 -2.184 2.003 1.00 0.00 C ATOM 0 H VAL A 33 8.590 -1.117 3.692 1.00 0.00 H new ATOM 0 HA VAL A 33 7.187 0.575 2.019 1.00 0.00 H new ATOM 0 HB VAL A 33 6.090 -1.608 3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.327 -1.827 2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.326 -0.213 2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.009 -0.439 1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.432 -3.099 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.204 -1.763 1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.966 -2.412 2.487 1.00 0.00 H new ATOM 348 N ILE A 34 6.185 0.755 5.182 1.00 0.00 N ATOM 349 CA ILE A 34 5.484 1.590 6.138 1.00 0.00 C ATOM 350 C ILE A 34 6.161 2.953 6.246 1.00 0.00 C ATOM 351 O ILE A 34 5.498 3.972 6.439 1.00 0.00 O ATOM 352 CB ILE A 34 5.431 0.913 7.523 1.00 0.00 C ATOM 353 CG1 ILE A 34 4.347 -0.166 7.542 1.00 0.00 C ATOM 354 CG2 ILE A 34 5.180 1.936 8.614 1.00 0.00 C ATOM 355 CD1 ILE A 34 4.886 -1.559 7.774 1.00 0.00 C ATOM 0 H ILE A 34 6.593 -0.091 5.580 1.00 0.00 H new ATOM 0 HA ILE A 34 4.462 1.729 5.784 1.00 0.00 H new ATOM 0 HB ILE A 34 6.396 0.444 7.714 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.624 0.070 8.323 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.809 -0.146 6.594 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.147 1.435 9.582 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.984 2.672 8.614 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.229 2.437 8.432 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.062 -2.272 7.775 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.587 -1.815 6.979 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.399 -1.595 8.735 1.00 0.00 H new ATOM 367 N SER A 35 7.483 2.964 6.107 1.00 0.00 N ATOM 368 CA SER A 35 8.242 4.206 6.176 1.00 0.00 C ATOM 369 C SER A 35 7.636 5.241 5.238 1.00 0.00 C ATOM 370 O SER A 35 7.596 6.431 5.548 1.00 0.00 O ATOM 371 CB SER A 35 9.707 3.958 5.808 1.00 0.00 C ATOM 372 OG SER A 35 10.531 3.960 6.960 1.00 0.00 O ATOM 0 H SER A 35 8.048 2.130 5.947 1.00 0.00 H new ATOM 0 HA SER A 35 8.199 4.584 7.197 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.799 3.001 5.294 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.046 4.727 5.114 1.00 0.00 H new ATOM 0 HG SER A 35 10.608 3.047 7.309 1.00 0.00 H new ATOM 378 N LEU A 36 7.150 4.770 4.094 1.00 0.00 N ATOM 379 CA LEU A 36 6.528 5.643 3.109 1.00 0.00 C ATOM 380 C LEU A 36 5.183 6.141 3.622 1.00 0.00 C ATOM 381 O LEU A 36 4.881 7.333 3.551 1.00 0.00 O ATOM 382 CB LEU A 36 6.338 4.901 1.784 1.00 0.00 C ATOM 383 CG LEU A 36 7.512 5.003 0.809 1.00 0.00 C ATOM 384 CD1 LEU A 36 7.635 3.730 -0.013 1.00 0.00 C ATOM 385 CD2 LEU A 36 7.346 6.213 -0.099 1.00 0.00 C ATOM 0 H LEU A 36 7.176 3.786 3.827 1.00 0.00 H new ATOM 0 HA LEU A 36 7.183 6.498 2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.154 3.848 1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.444 5.287 1.294 1.00 0.00 H new ATOM 0 HG LEU A 36 8.429 5.129 1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.476 3.821 -0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.800 2.882 0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.717 3.573 -0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.190 6.271 -0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.421 6.117 -0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.308 7.119 0.506 1.00 0.00 H new ATOM 397 N GLY A 37 4.383 5.219 4.145 1.00 0.00 N ATOM 398 CA GLY A 37 3.080 5.579 4.671 1.00 0.00 C ATOM 399 C GLY A 37 3.174 6.264 6.020 1.00 0.00 C ATOM 400 O GLY A 37 2.204 6.856 6.493 1.00 0.00 O ATOM 0 H GLY A 37 4.614 4.228 4.214 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.575 6.239 3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.467 4.682 4.763 1.00 0.00 H new ATOM 404 N LEU A 38 4.347 6.185 6.640 1.00 0.00 N ATOM 405 CA LEU A 38 4.568 6.804 7.942 1.00 0.00 C ATOM 406 C LEU A 38 4.080 8.249 7.944 1.00 0.00 C ATOM 407 O LEU A 38 3.192 8.614 8.713 1.00 0.00 O ATOM 408 CB LEU A 38 6.051 6.753 8.312 1.00 0.00 C ATOM 409 CG LEU A 38 6.368 6.022 9.617 1.00 0.00 C ATOM 410 CD1 LEU A 38 5.561 4.736 9.718 1.00 0.00 C ATOM 411 CD2 LEU A 38 7.857 5.728 9.715 1.00 0.00 C ATOM 0 H LEU A 38 5.159 5.698 6.262 1.00 0.00 H new ATOM 0 HA LEU A 38 3.999 6.244 8.684 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.596 6.269 7.501 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.427 7.774 8.384 1.00 0.00 H new ATOM 0 HG LEU A 38 6.090 6.668 10.450 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.800 4.229 10.653 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.497 4.971 9.694 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.808 4.085 8.879 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.064 5.208 10.650 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.160 5.102 8.876 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.415 6.664 9.689 1.00 0.00 H new ATOM 423 N PRO A 39 4.655 9.087 7.070 1.00 0.00 N ATOM 424 CA PRO A 39 4.276 10.499 6.962 1.00 0.00 C ATOM 425 C PRO A 39 2.810 10.662 6.580 1.00 0.00 C ATOM 426 O PRO A 39 2.138 11.593 7.026 1.00 0.00 O ATOM 427 CB PRO A 39 5.184 11.038 5.849 1.00 0.00 C ATOM 428 CG PRO A 39 5.646 9.832 5.104 1.00 0.00 C ATOM 429 CD PRO A 39 5.713 8.725 6.116 1.00 0.00 C ATOM 0 HA PRO A 39 4.393 11.028 7.908 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.642 11.721 5.195 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.027 11.593 6.262 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.956 9.583 4.298 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.621 10.004 4.648 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.531 7.751 5.662 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.690 8.675 6.596 1.00 0.00 H new ATOM 437 N PHE A 40 2.321 9.746 5.752 1.00 0.00 N ATOM 438 CA PHE A 40 0.934 9.774 5.306 1.00 0.00 C ATOM 439 C PHE A 40 -0.021 9.593 6.480 1.00 0.00 C ATOM 440 O PHE A 40 -1.225 9.809 6.354 1.00 0.00 O ATOM 441 CB PHE A 40 0.699 8.677 4.269 1.00 0.00 C ATOM 442 CG PHE A 40 1.170 9.054 2.895 1.00 0.00 C ATOM 443 CD1 PHE A 40 2.509 8.943 2.558 1.00 0.00 C ATOM 444 CD2 PHE A 40 0.279 9.523 1.944 1.00 0.00 C ATOM 445 CE1 PHE A 40 2.951 9.292 1.298 1.00 0.00 C ATOM 446 CE2 PHE A 40 0.717 9.875 0.681 1.00 0.00 C ATOM 447 CZ PHE A 40 2.054 9.758 0.357 1.00 0.00 C ATOM 0 H PHE A 40 2.868 8.972 5.375 1.00 0.00 H new ATOM 0 HA PHE A 40 0.739 10.747 4.854 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.213 7.770 4.586 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.365 8.444 4.230 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.215 8.579 3.290 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.768 9.615 2.192 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.998 9.201 1.048 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.014 10.241 -0.052 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.398 10.030 -0.630 1.00 0.00 H new ATOM 457 N GLY A 41 0.528 9.193 7.621 1.00 0.00 N ATOM 458 CA GLY A 41 -0.285 8.986 8.803 1.00 0.00 C ATOM 459 C GLY A 41 0.255 7.876 9.679 1.00 0.00 C ATOM 460 O GLY A 41 1.274 8.044 10.349 1.00 0.00 O ATOM 0 H GLY A 41 1.523 9.008 7.748 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.330 9.911 9.378 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.305 8.747 8.503 1.00 0.00 H new ATOM 464 N LYS A 42 -0.427 6.736 9.675 1.00 0.00 N ATOM 465 CA LYS A 42 -0.003 5.596 10.476 1.00 0.00 C ATOM 466 C LYS A 42 -0.420 4.282 9.826 1.00 0.00 C ATOM 467 O LYS A 42 -1.436 4.213 9.135 1.00 0.00 O ATOM 468 CB LYS A 42 -0.591 5.690 11.886 1.00 0.00 C ATOM 469 CG LYS A 42 0.325 6.383 12.882 1.00 0.00 C ATOM 470 CD LYS A 42 0.551 5.527 14.119 1.00 0.00 C ATOM 471 CE LYS A 42 0.341 6.326 15.395 1.00 0.00 C ATOM 472 NZ LYS A 42 1.613 6.911 15.899 1.00 0.00 N ATOM 0 H LYS A 42 -1.273 6.578 9.128 1.00 0.00 H new ATOM 0 HA LYS A 42 1.085 5.617 10.539 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.538 6.228 11.841 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.812 4.685 12.246 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.282 6.600 12.408 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.110 7.339 13.174 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.131 4.677 14.104 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.563 5.123 14.104 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.377 7.125 15.209 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.090 5.681 16.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.427 7.448 16.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.290 6.148 16.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.012 7.547 15.179 1.00 0.00 H new ATOM 486 N VAL A 43 0.367 3.237 10.063 1.00 0.00 N ATOM 487 CA VAL A 43 0.076 1.920 9.514 1.00 0.00 C ATOM 488 C VAL A 43 -0.525 1.020 10.588 1.00 0.00 C ATOM 489 O VAL A 43 0.085 0.794 11.633 1.00 0.00 O ATOM 490 CB VAL A 43 1.339 1.258 8.937 1.00 0.00 C ATOM 491 CG1 VAL A 43 1.068 -0.195 8.580 1.00 0.00 C ATOM 492 CG2 VAL A 43 1.837 2.031 7.725 1.00 0.00 C ATOM 0 H VAL A 43 1.212 3.278 10.633 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.642 2.053 8.705 1.00 0.00 H new ATOM 0 HB VAL A 43 2.119 1.278 9.699 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.974 -0.645 8.174 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.763 -0.738 9.474 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.273 -0.245 7.836 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.731 1.550 7.329 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.062 2.045 6.959 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.075 3.053 8.018 1.00 0.00 H new ATOM 502 N THR A 44 -1.731 0.528 10.334 1.00 0.00 N ATOM 503 CA THR A 44 -2.422 -0.328 11.292 1.00 0.00 C ATOM 504 C THR A 44 -2.350 -1.796 10.884 1.00 0.00 C ATOM 505 O THR A 44 -3.003 -2.650 11.484 1.00 0.00 O ATOM 506 CB THR A 44 -3.897 0.085 11.451 1.00 0.00 C ATOM 507 OG1 THR A 44 -4.748 -0.808 10.721 1.00 0.00 O ATOM 508 CG2 THR A 44 -4.099 1.500 10.964 1.00 0.00 C ATOM 0 H THR A 44 -2.251 0.706 9.475 1.00 0.00 H new ATOM 0 HA THR A 44 -1.913 -0.203 12.248 1.00 0.00 H new ATOM 0 HB THR A 44 -4.157 0.033 12.508 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.726 -0.576 9.769 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.146 1.779 11.082 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.475 2.178 11.546 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.822 1.566 9.912 1.00 0.00 H new ATOM 516 N ASN A 45 -1.554 -2.081 9.858 1.00 0.00 N ATOM 517 CA ASN A 45 -1.395 -3.445 9.366 1.00 0.00 C ATOM 518 C ASN A 45 -0.590 -3.464 8.071 1.00 0.00 C ATOM 519 O ASN A 45 -0.580 -2.490 7.320 1.00 0.00 O ATOM 520 CB ASN A 45 -2.763 -4.090 9.140 1.00 0.00 C ATOM 521 CG ASN A 45 -2.894 -5.430 9.839 1.00 0.00 C ATOM 522 OD1 ASN A 45 -2.940 -6.502 9.058 1.00 0.00 O flip ATOM 523 ND2 ASN A 45 -2.952 -5.498 11.067 1.00 0.00 N flip ATOM 0 H ASN A 45 -1.008 -1.384 9.351 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.852 -4.017 10.119 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.542 -3.418 9.500 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.926 -4.224 8.071 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.913 -4.647 11.627 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.039 -6.406 11.524 1.00 0.00 H new ATOM 530 N LEU A 46 0.084 -4.581 7.814 1.00 0.00 N ATOM 531 CA LEU A 46 0.892 -4.726 6.608 1.00 0.00 C ATOM 532 C LEU A 46 0.756 -6.129 6.026 1.00 0.00 C ATOM 533 O LEU A 46 0.879 -7.123 6.741 1.00 0.00 O ATOM 534 CB LEU A 46 2.361 -4.429 6.914 1.00 0.00 C ATOM 535 CG LEU A 46 3.289 -4.422 5.697 1.00 0.00 C ATOM 536 CD1 LEU A 46 2.695 -3.581 4.578 1.00 0.00 C ATOM 537 CD2 LEU A 46 4.667 -3.906 6.083 1.00 0.00 C ATOM 0 H LEU A 46 0.087 -5.398 8.424 1.00 0.00 H new ATOM 0 HA LEU A 46 0.529 -4.010 5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.425 -3.458 7.406 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.725 -5.171 7.625 1.00 0.00 H new ATOM 0 HG LEU A 46 3.394 -5.445 5.336 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.369 -3.588 3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.730 -3.995 4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.560 -2.557 4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.315 -3.907 5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.580 -2.890 6.468 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.095 -4.550 6.851 1.00 0.00 H new ATOM 549 N LEU A 47 0.502 -6.201 4.723 1.00 0.00 N ATOM 550 CA LEU A 47 0.349 -7.483 4.044 1.00 0.00 C ATOM 551 C LEU A 47 1.097 -7.485 2.714 1.00 0.00 C ATOM 552 O LEU A 47 1.050 -6.511 1.962 1.00 0.00 O ATOM 553 CB LEU A 47 -1.131 -7.786 3.810 1.00 0.00 C ATOM 554 CG LEU A 47 -1.415 -9.097 3.074 1.00 0.00 C ATOM 555 CD1 LEU A 47 -1.265 -10.281 4.016 1.00 0.00 C ATOM 556 CD2 LEU A 47 -2.808 -9.073 2.462 1.00 0.00 C ATOM 0 H LEU A 47 0.398 -5.387 4.117 1.00 0.00 H new ATOM 0 HA LEU A 47 0.774 -8.258 4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.638 -7.811 4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.569 -6.966 3.241 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.688 -9.205 2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.471 -11.205 3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.248 -10.308 4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.969 -10.180 4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.993 -10.013 1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.549 -8.942 3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.880 -8.247 1.754 1.00 0.00 H new ATOM 568 N MET A 48 1.785 -8.585 2.430 1.00 0.00 N ATOM 569 CA MET A 48 2.543 -8.714 1.190 1.00 0.00 C ATOM 570 C MET A 48 2.122 -9.966 0.426 1.00 0.00 C ATOM 571 O MET A 48 2.627 -11.060 0.683 1.00 0.00 O ATOM 572 CB MET A 48 4.046 -8.764 1.481 1.00 0.00 C ATOM 573 CG MET A 48 4.462 -7.980 2.718 1.00 0.00 C ATOM 574 SD MET A 48 5.025 -6.312 2.328 1.00 0.00 S ATOM 575 CE MET A 48 6.633 -6.652 1.616 1.00 0.00 C ATOM 0 H MET A 48 1.834 -9.400 3.041 1.00 0.00 H new ATOM 0 HA MET A 48 2.331 -7.840 0.574 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.348 -9.804 1.604 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.586 -8.375 0.618 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.619 -7.923 3.407 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.259 -8.517 3.233 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.307 -5.821 1.825 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.038 -7.566 2.051 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.534 -6.777 0.538 1.00 0.00 H new ATOM 585 N LEU A 49 1.195 -9.800 -0.513 1.00 0.00 N ATOM 586 CA LEU A 49 0.709 -10.919 -1.313 1.00 0.00 C ATOM 587 C LEU A 49 1.725 -11.304 -2.384 1.00 0.00 C ATOM 588 O LEU A 49 1.725 -10.748 -3.483 1.00 0.00 O ATOM 589 CB LEU A 49 -0.629 -10.566 -1.964 1.00 0.00 C ATOM 590 CG LEU A 49 -1.354 -11.736 -2.630 1.00 0.00 C ATOM 591 CD1 LEU A 49 -1.802 -12.750 -1.587 1.00 0.00 C ATOM 592 CD2 LEU A 49 -2.545 -11.236 -3.434 1.00 0.00 C ATOM 0 H LEU A 49 0.766 -8.902 -0.738 1.00 0.00 H new ATOM 0 HA LEU A 49 0.567 -11.772 -0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.283 -10.138 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.459 -9.791 -2.711 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.660 -12.228 -3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.316 -13.575 -2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.932 -13.131 -1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.480 -12.270 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.049 -12.082 -3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.240 -10.720 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.200 -10.548 -4.206 1.00 0.00 H new ATOM 604 N LYS A 50 2.588 -12.260 -2.054 1.00 0.00 N ATOM 605 CA LYS A 50 3.611 -12.722 -2.984 1.00 0.00 C ATOM 606 C LYS A 50 2.981 -13.300 -4.247 1.00 0.00 C ATOM 607 O LYS A 50 1.811 -13.686 -4.248 1.00 0.00 O ATOM 608 CB LYS A 50 4.498 -13.776 -2.316 1.00 0.00 C ATOM 609 CG LYS A 50 4.883 -13.430 -0.887 1.00 0.00 C ATOM 610 CD LYS A 50 6.361 -13.088 -0.775 1.00 0.00 C ATOM 611 CE LYS A 50 6.665 -12.352 0.519 1.00 0.00 C ATOM 612 NZ LYS A 50 5.760 -12.771 1.624 1.00 0.00 N ATOM 0 H LYS A 50 2.599 -12.730 -1.149 1.00 0.00 H new ATOM 0 HA LYS A 50 4.223 -11.865 -3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.977 -14.733 -2.321 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.405 -13.903 -2.907 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.286 -12.586 -0.543 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.653 -14.271 -0.233 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.952 -14.003 -0.822 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.659 -12.472 -1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.700 -12.538 0.807 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.567 -11.279 0.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.175 -12.493 2.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.835 -12.309 1.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.637 -13.803 1.599 1.00 0.00 H new ATOM 626 N GLY A 51 3.763 -13.356 -5.320 1.00 0.00 N ATOM 627 CA GLY A 51 3.264 -13.888 -6.575 1.00 0.00 C ATOM 628 C GLY A 51 2.972 -12.801 -7.590 1.00 0.00 C ATOM 629 O GLY A 51 3.715 -12.631 -8.558 1.00 0.00 O ATOM 0 H GLY A 51 4.733 -13.043 -5.343 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.997 -14.580 -6.989 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.355 -14.460 -6.388 1.00 0.00 H new ATOM 633 N LYS A 52 1.889 -12.065 -7.371 1.00 0.00 N ATOM 634 CA LYS A 52 1.499 -10.988 -8.275 1.00 0.00 C ATOM 635 C LYS A 52 2.262 -9.705 -7.959 1.00 0.00 C ATOM 636 O LYS A 52 2.194 -8.731 -8.708 1.00 0.00 O ATOM 637 CB LYS A 52 -0.006 -10.736 -8.180 1.00 0.00 C ATOM 638 CG LYS A 52 -0.795 -11.309 -9.346 1.00 0.00 C ATOM 639 CD LYS A 52 -1.801 -10.305 -9.884 1.00 0.00 C ATOM 640 CE LYS A 52 -2.904 -10.027 -8.874 1.00 0.00 C ATOM 641 NZ LYS A 52 -3.910 -11.125 -8.834 1.00 0.00 N ATOM 0 H LYS A 52 1.264 -12.194 -6.575 1.00 0.00 H new ATOM 0 HA LYS A 52 1.747 -11.294 -9.291 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.380 -11.168 -7.252 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.183 -9.662 -8.126 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.110 -11.601 -10.142 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.316 -12.212 -9.026 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.291 -9.374 -10.133 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.239 -10.685 -10.807 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.466 -9.900 -7.884 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.400 -9.090 -9.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.645 -10.898 -8.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.347 -11.230 -9.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.442 -12.015 -8.568 1.00 0.00 H new ATOM 655 N ASN A 53 2.987 -9.712 -6.844 1.00 0.00 N ATOM 656 CA ASN A 53 3.762 -8.547 -6.432 1.00 0.00 C ATOM 657 C ASN A 53 2.844 -7.403 -6.017 1.00 0.00 C ATOM 658 O ASN A 53 3.032 -6.260 -6.434 1.00 0.00 O ATOM 659 CB ASN A 53 4.687 -8.093 -7.563 1.00 0.00 C ATOM 660 CG ASN A 53 6.079 -8.687 -7.453 1.00 0.00 C ATOM 661 OD1 ASN A 53 7.041 -8.138 -7.992 1.00 0.00 O ATOM 662 ND2 ASN A 53 6.198 -9.816 -6.758 1.00 0.00 N ATOM 0 H ASN A 53 3.054 -10.509 -6.211 1.00 0.00 H new ATOM 0 HA ASN A 53 4.369 -8.832 -5.572 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.250 -8.376 -8.521 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.758 -7.005 -7.554 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.111 -10.258 -6.656 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.376 -10.239 -6.327 1.00 0.00 H new ATOM 669 N GLN A 54 1.853 -7.719 -5.191 1.00 0.00 N ATOM 670 CA GLN A 54 0.907 -6.718 -4.715 1.00 0.00 C ATOM 671 C GLN A 54 0.776 -6.778 -3.197 1.00 0.00 C ATOM 672 O GLN A 54 0.513 -7.837 -2.629 1.00 0.00 O ATOM 673 CB GLN A 54 -0.461 -6.924 -5.366 1.00 0.00 C ATOM 674 CG GLN A 54 -0.408 -6.998 -6.883 1.00 0.00 C ATOM 675 CD GLN A 54 -1.786 -7.019 -7.515 1.00 0.00 C ATOM 676 OE1 GLN A 54 -2.763 -7.546 -6.787 1.00 0.00 O flip ATOM 677 NE2 GLN A 54 -1.970 -6.565 -8.645 1.00 0.00 N flip ATOM 0 H GLN A 54 1.684 -8.661 -4.837 1.00 0.00 H new ATOM 0 HA GLN A 54 1.286 -5.734 -4.993 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.903 -7.843 -4.981 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.120 -6.107 -5.073 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.150 -6.143 -7.265 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.138 -7.894 -7.180 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -1.189 -6.169 -9.169 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.903 -6.585 -9.057 1.00 0.00 H new ATOM 686 N ALA A 55 0.961 -5.634 -2.547 1.00 0.00 N ATOM 687 CA ALA A 55 0.861 -5.558 -1.095 1.00 0.00 C ATOM 688 C ALA A 55 -0.392 -4.802 -0.679 1.00 0.00 C ATOM 689 O ALA A 55 -0.985 -4.076 -1.477 1.00 0.00 O ATOM 690 CB ALA A 55 2.099 -4.893 -0.512 1.00 0.00 C ATOM 0 H ALA A 55 1.181 -4.748 -3.002 1.00 0.00 H new ATOM 0 HA ALA A 55 0.793 -6.573 -0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.009 -4.844 0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.983 -5.474 -0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.194 -3.884 -0.914 1.00 0.00 H new ATOM 696 N PHE A 56 -0.800 -4.986 0.570 1.00 0.00 N ATOM 697 CA PHE A 56 -1.993 -4.328 1.082 1.00 0.00 C ATOM 698 C PHE A 56 -1.798 -3.864 2.522 1.00 0.00 C ATOM 699 O PHE A 56 -1.625 -4.679 3.428 1.00 0.00 O ATOM 700 CB PHE A 56 -3.189 -5.277 0.998 1.00 0.00 C ATOM 701 CG PHE A 56 -3.230 -6.085 -0.270 1.00 0.00 C ATOM 702 CD1 PHE A 56 -2.197 -6.954 -0.595 1.00 0.00 C ATOM 703 CD2 PHE A 56 -4.304 -5.975 -1.138 1.00 0.00 C ATOM 704 CE1 PHE A 56 -2.238 -7.695 -1.760 1.00 0.00 C ATOM 705 CE2 PHE A 56 -4.350 -6.713 -2.305 1.00 0.00 C ATOM 706 CZ PHE A 56 -3.316 -7.574 -2.616 1.00 0.00 C ATOM 0 H PHE A 56 -0.323 -5.584 1.245 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.182 -3.448 0.467 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.164 -5.956 1.851 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.108 -4.697 1.079 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.352 -7.052 0.071 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.116 -5.304 -0.899 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.429 -8.368 -2.002 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.193 -6.617 -2.973 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.350 -8.152 -3.527 1.00 0.00 H new ATOM 716 N ILE A 57 -1.839 -2.551 2.726 1.00 0.00 N ATOM 717 CA ILE A 57 -1.679 -1.980 4.058 1.00 0.00 C ATOM 718 C ILE A 57 -2.978 -1.333 4.523 1.00 0.00 C ATOM 719 O ILE A 57 -3.685 -0.704 3.736 1.00 0.00 O ATOM 720 CB ILE A 57 -0.545 -0.936 4.103 1.00 0.00 C ATOM 721 CG1 ILE A 57 -0.914 0.300 3.280 1.00 0.00 C ATOM 722 CG2 ILE A 57 0.754 -1.545 3.598 1.00 0.00 C ATOM 723 CD1 ILE A 57 -0.249 1.570 3.767 1.00 0.00 C ATOM 0 H ILE A 57 -1.982 -1.863 1.986 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.417 -2.800 4.727 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.404 -0.626 5.138 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.637 0.130 2.240 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.996 0.433 3.304 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.545 -0.797 3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.027 -2.393 4.226 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.622 -1.882 2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.556 2.406 3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.546 1.764 4.798 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.834 1.456 3.717 1.00 0.00 H new ATOM 735 N GLU A 58 -3.293 -1.500 5.802 1.00 0.00 N ATOM 736 CA GLU A 58 -4.516 -0.937 6.363 1.00 0.00 C ATOM 737 C GLU A 58 -4.222 0.309 7.192 1.00 0.00 C ATOM 738 O GLU A 58 -3.765 0.215 8.331 1.00 0.00 O ATOM 739 CB GLU A 58 -5.230 -1.979 7.225 1.00 0.00 C ATOM 740 CG GLU A 58 -6.743 -1.826 7.233 1.00 0.00 C ATOM 741 CD GLU A 58 -7.391 -2.508 8.422 1.00 0.00 C ATOM 742 OE1 GLU A 58 -6.845 -3.528 8.891 1.00 0.00 O ATOM 743 OE2 GLU A 58 -8.444 -2.020 8.885 1.00 0.00 O ATOM 0 H GLU A 58 -2.721 -2.019 6.468 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.163 -0.650 5.534 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.975 -2.975 6.862 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.860 -1.908 8.248 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.997 -0.766 7.244 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.152 -2.243 6.312 1.00 0.00 H new ATOM 750 N MET A 59 -4.500 1.475 6.618 1.00 0.00 N ATOM 751 CA MET A 59 -4.276 2.738 7.311 1.00 0.00 C ATOM 752 C MET A 59 -5.348 2.950 8.375 1.00 0.00 C ATOM 753 O MET A 59 -6.487 2.511 8.216 1.00 0.00 O ATOM 754 CB MET A 59 -4.267 3.897 6.313 1.00 0.00 C ATOM 755 CG MET A 59 -3.377 3.642 5.106 1.00 0.00 C ATOM 756 SD MET A 59 -2.391 5.080 4.643 1.00 0.00 S ATOM 757 CE MET A 59 -1.230 5.162 6.004 1.00 0.00 C ATOM 0 H MET A 59 -4.880 1.571 5.676 1.00 0.00 H new ATOM 0 HA MET A 59 -3.304 2.703 7.803 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.286 4.082 5.972 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.931 4.802 6.820 1.00 0.00 H new ATOM 0 HG2 MET A 59 -2.712 2.806 5.322 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.997 3.346 4.260 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.637 6.073 5.922 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.775 5.168 6.948 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.570 4.295 5.972 1.00 0.00 H new ATOM 767 N ASN A 60 -4.974 3.604 9.468 1.00 0.00 N ATOM 768 CA ASN A 60 -5.905 3.846 10.568 1.00 0.00 C ATOM 769 C ASN A 60 -7.055 4.747 10.135 1.00 0.00 C ATOM 770 O ASN A 60 -8.225 4.393 10.292 1.00 0.00 O ATOM 771 CB ASN A 60 -5.188 4.487 11.760 1.00 0.00 C ATOM 772 CG ASN A 60 -3.720 4.125 11.843 1.00 0.00 C ATOM 773 OD1 ASN A 60 -3.021 4.077 10.832 1.00 0.00 O ATOM 774 ND2 ASN A 60 -3.242 3.884 13.057 1.00 0.00 N ATOM 0 H ASN A 60 -4.036 3.976 9.618 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.307 2.877 10.865 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.284 5.571 11.693 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.683 4.179 12.681 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.257 3.647 13.180 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.859 3.935 13.868 1.00 0.00 H new ATOM 781 N THR A 61 -6.720 5.917 9.606 1.00 0.00 N ATOM 782 CA THR A 61 -7.729 6.873 9.172 1.00 0.00 C ATOM 783 C THR A 61 -7.797 6.960 7.653 1.00 0.00 C ATOM 784 O THR A 61 -6.940 6.425 6.949 1.00 0.00 O ATOM 785 CB THR A 61 -7.443 8.273 9.741 1.00 0.00 C ATOM 786 OG1 THR A 61 -7.837 9.278 8.798 1.00 0.00 O ATOM 787 CG2 THR A 61 -5.965 8.427 10.066 1.00 0.00 C ATOM 0 H THR A 61 -5.758 6.226 9.467 1.00 0.00 H new ATOM 0 HA THR A 61 -8.687 6.516 9.550 1.00 0.00 H new ATOM 0 HB THR A 61 -8.019 8.395 10.659 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.653 10.166 9.170 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.783 9.424 10.467 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.675 7.680 10.805 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.377 8.288 9.159 1.00 0.00 H new ATOM 795 N GLU A 62 -8.822 7.642 7.154 1.00 0.00 N ATOM 796 CA GLU A 62 -9.002 7.804 5.718 1.00 0.00 C ATOM 797 C GLU A 62 -7.954 8.752 5.149 1.00 0.00 C ATOM 798 O GLU A 62 -7.315 8.454 4.140 1.00 0.00 O ATOM 799 CB GLU A 62 -10.406 8.327 5.411 1.00 0.00 C ATOM 800 CG GLU A 62 -11.517 7.462 5.984 1.00 0.00 C ATOM 801 CD GLU A 62 -12.858 7.723 5.326 1.00 0.00 C ATOM 802 OE1 GLU A 62 -12.951 7.580 4.090 1.00 0.00 O ATOM 803 OE2 GLU A 62 -13.816 8.070 6.049 1.00 0.00 O ATOM 0 H GLU A 62 -9.540 8.091 7.723 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.880 6.829 5.247 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.503 9.338 5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.531 8.395 4.330 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.254 6.411 5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.600 7.646 7.055 1.00 0.00 H new ATOM 810 N GLU A 63 -7.776 9.893 5.806 1.00 0.00 N ATOM 811 CA GLU A 63 -6.798 10.878 5.367 1.00 0.00 C ATOM 812 C GLU A 63 -5.452 10.209 5.114 1.00 0.00 C ATOM 813 O GLU A 63 -4.689 10.630 4.246 1.00 0.00 O ATOM 814 CB GLU A 63 -6.647 11.984 6.412 1.00 0.00 C ATOM 815 CG GLU A 63 -7.716 13.061 6.317 1.00 0.00 C ATOM 816 CD GLU A 63 -7.193 14.436 6.686 1.00 0.00 C ATOM 817 OE1 GLU A 63 -5.983 14.681 6.496 1.00 0.00 O ATOM 818 OE2 GLU A 63 -7.993 15.265 7.166 1.00 0.00 O ATOM 0 H GLU A 63 -8.296 10.157 6.643 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.150 11.324 4.437 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.678 11.539 7.407 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.666 12.446 6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.111 13.087 5.301 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.546 12.803 6.975 1.00 0.00 H new ATOM 825 N ALA A 64 -5.174 9.158 5.879 1.00 0.00 N ATOM 826 CA ALA A 64 -3.926 8.420 5.741 1.00 0.00 C ATOM 827 C ALA A 64 -3.908 7.627 4.439 1.00 0.00 C ATOM 828 O ALA A 64 -2.961 7.715 3.658 1.00 0.00 O ATOM 829 CB ALA A 64 -3.725 7.492 6.932 1.00 0.00 C ATOM 0 H ALA A 64 -5.798 8.799 6.602 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.105 9.137 5.715 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.788 6.947 6.815 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.691 8.080 7.849 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.552 6.784 6.985 1.00 0.00 H new ATOM 835 N ALA A 65 -4.961 6.847 4.214 1.00 0.00 N ATOM 836 CA ALA A 65 -5.071 6.032 3.009 1.00 0.00 C ATOM 837 C ALA A 65 -5.225 6.900 1.765 1.00 0.00 C ATOM 838 O ALA A 65 -4.346 6.927 0.903 1.00 0.00 O ATOM 839 CB ALA A 65 -6.242 5.069 3.130 1.00 0.00 C ATOM 0 H ALA A 65 -5.752 6.762 4.852 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.150 5.459 2.905 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.313 4.467 2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.089 4.416 3.989 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.165 5.633 3.264 1.00 0.00 H new ATOM 845 N ASN A 66 -6.347 7.605 1.677 1.00 0.00 N ATOM 846 CA ASN A 66 -6.617 8.471 0.534 1.00 0.00 C ATOM 847 C ASN A 66 -5.345 9.172 0.067 1.00 0.00 C ATOM 848 O ASN A 66 -5.063 9.231 -1.130 1.00 0.00 O ATOM 849 CB ASN A 66 -7.682 9.508 0.896 1.00 0.00 C ATOM 850 CG ASN A 66 -9.074 8.911 0.954 1.00 0.00 C ATOM 851 OD1 ASN A 66 -9.516 8.555 2.156 1.00 0.00 O flip ATOM 852 ND2 ASN A 66 -9.746 8.771 -0.068 1.00 0.00 N flip ATOM 0 H ASN A 66 -7.084 7.594 2.382 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.986 7.849 -0.282 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.440 9.952 1.862 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.665 10.313 0.162 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -9.367 9.058 -0.971 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.681 8.368 -0.012 1.00 0.00 H new ATOM 859 N THR A 67 -4.583 9.701 1.017 1.00 0.00 N ATOM 860 CA THR A 67 -3.342 10.398 0.698 1.00 0.00 C ATOM 861 C THR A 67 -2.319 9.447 0.083 1.00 0.00 C ATOM 862 O THR A 67 -1.786 9.709 -0.995 1.00 0.00 O ATOM 863 CB THR A 67 -2.732 11.058 1.948 1.00 0.00 C ATOM 864 OG1 THR A 67 -3.697 11.915 2.570 1.00 0.00 O ATOM 865 CG2 THR A 67 -1.494 11.864 1.586 1.00 0.00 C ATOM 0 H THR A 67 -4.802 9.661 2.012 1.00 0.00 H new ATOM 0 HA THR A 67 -3.591 11.174 -0.026 1.00 0.00 H new ATOM 0 HB THR A 67 -2.443 10.269 2.643 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.895 11.585 3.471 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.081 12.321 2.486 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.749 11.206 1.139 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.763 12.644 0.874 1.00 0.00 H new ATOM 873 N MET A 68 -2.050 8.344 0.774 1.00 0.00 N ATOM 874 CA MET A 68 -1.090 7.353 0.295 1.00 0.00 C ATOM 875 C MET A 68 -1.140 7.232 -1.225 1.00 0.00 C ATOM 876 O MET A 68 -0.167 7.540 -1.914 1.00 0.00 O ATOM 877 CB MET A 68 -1.367 5.992 0.935 1.00 0.00 C ATOM 878 CG MET A 68 -0.168 5.409 1.664 1.00 0.00 C ATOM 879 SD MET A 68 0.298 3.781 1.044 1.00 0.00 S ATOM 880 CE MET A 68 2.082 3.858 1.193 1.00 0.00 C ATOM 0 H MET A 68 -2.483 8.113 1.668 1.00 0.00 H new ATOM 0 HA MET A 68 -0.092 7.686 0.581 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.195 6.091 1.636 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.686 5.294 0.161 1.00 0.00 H new ATOM 0 HG2 MET A 68 0.679 6.088 1.563 1.00 0.00 H new ATOM 0 HG3 MET A 68 -0.394 5.337 2.728 1.00 0.00 H new ATOM 0 HE1 MET A 68 2.502 2.862 1.053 1.00 0.00 H new ATOM 0 HE2 MET A 68 2.482 4.530 0.434 1.00 0.00 H new ATOM 0 HE3 MET A 68 2.349 4.229 2.183 1.00 0.00 H new ATOM 890 N VAL A 69 -2.278 6.782 -1.741 1.00 0.00 N ATOM 891 CA VAL A 69 -2.453 6.620 -3.179 1.00 0.00 C ATOM 892 C VAL A 69 -2.485 7.969 -3.888 1.00 0.00 C ATOM 893 O VAL A 69 -1.826 8.162 -4.909 1.00 0.00 O ATOM 894 CB VAL A 69 -3.749 5.854 -3.501 1.00 0.00 C ATOM 895 CG1 VAL A 69 -4.018 5.860 -4.998 1.00 0.00 C ATOM 896 CG2 VAL A 69 -3.674 4.430 -2.972 1.00 0.00 C ATOM 0 H VAL A 69 -3.093 6.523 -1.185 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.599 6.046 -3.538 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.578 6.359 -3.005 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.938 5.314 -5.205 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.121 6.888 -5.345 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.188 5.383 -5.519 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.599 3.905 -3.209 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.834 3.913 -3.436 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.535 4.450 -1.891 1.00 0.00 H new ATOM 906 N ASN A 70 -3.260 8.899 -3.341 1.00 0.00 N ATOM 907 CA ASN A 70 -3.387 10.233 -3.921 1.00 0.00 C ATOM 908 C ASN A 70 -2.021 10.809 -4.283 1.00 0.00 C ATOM 909 O ASN A 70 -1.729 11.048 -5.454 1.00 0.00 O ATOM 910 CB ASN A 70 -4.105 11.167 -2.947 1.00 0.00 C ATOM 911 CG ASN A 70 -5.614 11.110 -3.096 1.00 0.00 C ATOM 912 OD1 ASN A 70 -6.130 10.754 -4.155 1.00 0.00 O ATOM 913 ND2 ASN A 70 -6.328 11.463 -2.033 1.00 0.00 N ATOM 0 H ASN A 70 -3.811 8.754 -2.495 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.975 10.147 -4.835 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.833 10.901 -1.926 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.765 12.190 -3.111 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.347 11.446 -2.074 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.857 11.751 -1.175 1.00 0.00 H new ATOM 920 N TYR A 71 -1.190 11.036 -3.270 1.00 0.00 N ATOM 921 CA TYR A 71 0.142 11.589 -3.483 1.00 0.00 C ATOM 922 C TYR A 71 0.992 10.656 -4.338 1.00 0.00 C ATOM 923 O TYR A 71 1.771 11.106 -5.179 1.00 0.00 O ATOM 924 CB TYR A 71 0.836 11.840 -2.144 1.00 0.00 C ATOM 925 CG TYR A 71 2.188 12.502 -2.279 1.00 0.00 C ATOM 926 CD1 TYR A 71 2.296 13.881 -2.412 1.00 0.00 C ATOM 927 CD2 TYR A 71 3.356 11.750 -2.276 1.00 0.00 C ATOM 928 CE1 TYR A 71 3.530 14.491 -2.536 1.00 0.00 C ATOM 929 CE2 TYR A 71 4.593 12.352 -2.401 1.00 0.00 C ATOM 930 CZ TYR A 71 4.675 13.722 -2.531 1.00 0.00 C ATOM 931 OH TYR A 71 5.905 14.326 -2.655 1.00 0.00 O ATOM 0 H TYR A 71 -1.416 10.845 -2.294 1.00 0.00 H new ATOM 0 HA TYR A 71 0.030 12.536 -4.011 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.195 12.466 -1.523 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.956 10.890 -1.623 1.00 0.00 H new ATOM 0 HD1 TYR A 71 1.401 14.486 -2.419 1.00 0.00 H new ATOM 0 HD2 TYR A 71 3.296 10.676 -2.174 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.597 15.564 -2.636 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.491 11.752 -2.397 1.00 0.00 H new ATOM 0 HH TYR A 71 6.608 13.644 -2.632 1.00 0.00 H new ATOM 941 N TYR A 72 0.840 9.355 -4.115 1.00 0.00 N ATOM 942 CA TYR A 72 1.596 8.359 -4.865 1.00 0.00 C ATOM 943 C TYR A 72 0.874 7.979 -6.153 1.00 0.00 C ATOM 944 O TYR A 72 1.141 6.931 -6.740 1.00 0.00 O ATOM 945 CB TYR A 72 1.828 7.115 -4.005 1.00 0.00 C ATOM 946 CG TYR A 72 2.803 7.337 -2.871 1.00 0.00 C ATOM 947 CD1 TYR A 72 3.987 8.035 -3.072 1.00 0.00 C ATOM 948 CD2 TYR A 72 2.537 6.850 -1.596 1.00 0.00 C ATOM 949 CE1 TYR A 72 4.879 8.240 -2.037 1.00 0.00 C ATOM 950 CE2 TYR A 72 3.425 7.051 -0.557 1.00 0.00 C ATOM 951 CZ TYR A 72 4.594 7.747 -0.782 1.00 0.00 C ATOM 952 OH TYR A 72 5.481 7.948 0.251 1.00 0.00 O ATOM 0 H TYR A 72 0.201 8.966 -3.422 1.00 0.00 H new ATOM 0 HA TYR A 72 2.560 8.794 -5.131 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.874 6.785 -3.594 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.198 6.309 -4.639 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.214 8.424 -4.054 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.622 6.306 -1.415 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.796 8.784 -2.211 1.00 0.00 H new ATOM 0 HE2 TYR A 72 3.205 6.665 0.427 1.00 0.00 H new ATOM 0 HH TYR A 72 5.129 7.538 1.069 1.00 0.00 H new ATOM 962 N THR A 73 -0.040 8.840 -6.590 1.00 0.00 N ATOM 963 CA THR A 73 -0.798 8.597 -7.812 1.00 0.00 C ATOM 964 C THR A 73 -0.012 9.047 -9.039 1.00 0.00 C ATOM 965 O THR A 73 -0.084 8.424 -10.098 1.00 0.00 O ATOM 966 CB THR A 73 -2.155 9.326 -7.788 1.00 0.00 C ATOM 967 OG1 THR A 73 -3.026 8.714 -6.831 1.00 0.00 O ATOM 968 CG2 THR A 73 -2.808 9.301 -9.162 1.00 0.00 C ATOM 0 H THR A 73 -0.273 9.712 -6.116 1.00 0.00 H new ATOM 0 HA THR A 73 -0.975 7.523 -7.868 1.00 0.00 H new ATOM 0 HB THR A 73 -1.978 10.364 -7.505 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.503 8.140 -6.233 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.765 9.822 -9.120 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.157 9.795 -9.883 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.971 8.268 -9.469 1.00 0.00 H new ATOM 976 N SER A 74 0.741 10.132 -8.885 1.00 0.00 N ATOM 977 CA SER A 74 1.544 10.667 -9.980 1.00 0.00 C ATOM 978 C SER A 74 3.032 10.527 -9.678 1.00 0.00 C ATOM 979 O SER A 74 3.825 10.193 -10.558 1.00 0.00 O ATOM 980 CB SER A 74 1.195 12.135 -10.226 1.00 0.00 C ATOM 981 OG SER A 74 1.461 12.505 -11.568 1.00 0.00 O ATOM 0 H SER A 74 0.812 10.658 -8.014 1.00 0.00 H new ATOM 0 HA SER A 74 1.319 10.094 -10.879 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.142 12.304 -10.001 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.771 12.767 -9.550 1.00 0.00 H new ATOM 0 HG SER A 74 1.228 13.448 -11.700 1.00 0.00 H new ATOM 987 N VAL A 75 3.404 10.783 -8.428 1.00 0.00 N ATOM 988 CA VAL A 75 4.798 10.684 -8.011 1.00 0.00 C ATOM 989 C VAL A 75 5.218 9.226 -7.857 1.00 0.00 C ATOM 990 O VAL A 75 4.463 8.405 -7.336 1.00 0.00 O ATOM 991 CB VAL A 75 5.041 11.419 -6.678 1.00 0.00 C ATOM 992 CG1 VAL A 75 6.456 11.171 -6.181 1.00 0.00 C ATOM 993 CG2 VAL A 75 4.776 12.908 -6.834 1.00 0.00 C ATOM 0 H VAL A 75 2.760 11.060 -7.687 1.00 0.00 H new ATOM 0 HA VAL A 75 5.397 11.155 -8.790 1.00 0.00 H new ATOM 0 HB VAL A 75 4.347 11.026 -5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.608 11.698 -5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.606 10.102 -6.027 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.170 11.535 -6.920 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.953 13.411 -5.883 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.444 13.319 -7.591 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.741 13.063 -7.140 1.00 0.00 H new ATOM 1003 N THR A 76 6.426 8.909 -8.313 1.00 0.00 N ATOM 1004 CA THR A 76 6.942 7.555 -8.227 1.00 0.00 C ATOM 1005 C THR A 76 7.703 7.336 -6.929 1.00 0.00 C ATOM 1006 O THR A 76 8.776 7.902 -6.722 1.00 0.00 O ATOM 1007 CB THR A 76 7.872 7.238 -9.414 1.00 0.00 C ATOM 1008 OG1 THR A 76 7.095 6.930 -10.579 1.00 0.00 O ATOM 1009 CG2 THR A 76 8.785 6.067 -9.085 1.00 0.00 C ATOM 0 H THR A 76 7.064 9.576 -8.746 1.00 0.00 H new ATOM 0 HA THR A 76 6.082 6.885 -8.255 1.00 0.00 H new ATOM 0 HB THR A 76 8.487 8.116 -9.610 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.187 6.680 -10.310 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.433 5.860 -9.937 1.00 0.00 H new ATOM 0 HG22 THR A 76 9.395 6.314 -8.216 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.182 5.186 -8.866 1.00 0.00 H new ATOM 1017 N PRO A 77 7.159 6.502 -6.040 1.00 0.00 N ATOM 1018 CA PRO A 77 7.770 6.191 -4.770 1.00 0.00 C ATOM 1019 C PRO A 77 8.543 4.876 -4.806 1.00 0.00 C ATOM 1020 O PRO A 77 7.948 3.800 -4.886 1.00 0.00 O ATOM 1021 CB PRO A 77 6.551 6.076 -3.858 1.00 0.00 C ATOM 1022 CG PRO A 77 5.412 5.674 -4.759 1.00 0.00 C ATOM 1023 CD PRO A 77 5.893 5.788 -6.184 1.00 0.00 C ATOM 0 HA PRO A 77 8.505 6.932 -4.455 1.00 0.00 H new ATOM 0 HB2 PRO A 77 6.714 5.334 -3.076 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.342 7.023 -3.360 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.095 4.654 -4.543 1.00 0.00 H new ATOM 0 HG3 PRO A 77 4.548 6.318 -4.594 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.030 4.810 -6.644 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.187 6.337 -6.807 1.00 0.00 H new ATOM 1031 N VAL A 78 9.867 4.965 -4.746 1.00 0.00 N ATOM 1032 CA VAL A 78 10.709 3.776 -4.772 1.00 0.00 C ATOM 1033 C VAL A 78 11.381 3.551 -3.418 1.00 0.00 C ATOM 1034 O VAL A 78 11.537 4.482 -2.628 1.00 0.00 O ATOM 1035 CB VAL A 78 11.773 3.859 -5.900 1.00 0.00 C ATOM 1036 CG1 VAL A 78 11.353 4.872 -6.953 1.00 0.00 C ATOM 1037 CG2 VAL A 78 13.161 4.197 -5.359 1.00 0.00 C ATOM 0 H VAL A 78 10.378 5.845 -4.679 1.00 0.00 H new ATOM 0 HA VAL A 78 10.063 2.923 -4.981 1.00 0.00 H new ATOM 0 HB VAL A 78 11.835 2.872 -6.359 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.110 4.918 -7.736 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.399 4.572 -7.387 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.248 5.854 -6.492 1.00 0.00 H new ATOM 0 HG21 VAL A 78 13.872 4.244 -6.184 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.129 5.161 -4.852 1.00 0.00 H new ATOM 0 HG23 VAL A 78 13.474 3.427 -4.654 1.00 0.00 H new ATOM 1047 N LEU A 79 11.781 2.311 -3.164 1.00 0.00 N ATOM 1048 CA LEU A 79 12.440 1.962 -1.911 1.00 0.00 C ATOM 1049 C LEU A 79 13.925 1.708 -2.141 1.00 0.00 C ATOM 1050 O LEU A 79 14.317 0.640 -2.612 1.00 0.00 O ATOM 1051 CB LEU A 79 11.788 0.724 -1.296 1.00 0.00 C ATOM 1052 CG LEU A 79 12.242 0.389 0.126 1.00 0.00 C ATOM 1053 CD1 LEU A 79 13.607 -0.282 0.104 1.00 0.00 C ATOM 1054 CD2 LEU A 79 12.278 1.645 0.983 1.00 0.00 C ATOM 0 H LEU A 79 11.661 1.530 -3.809 1.00 0.00 H new ATOM 0 HA LEU A 79 12.331 2.799 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.707 0.866 -1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.994 -0.133 -1.938 1.00 0.00 H new ATOM 0 HG LEU A 79 11.524 -0.305 0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.915 -0.514 1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 79 13.550 -1.203 -0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 79 14.335 0.389 -0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.603 1.388 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.975 2.362 0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.282 2.086 1.024 1.00 0.00 H new ATOM 1066 N ARG A 80 14.749 2.697 -1.813 1.00 0.00 N ATOM 1067 CA ARG A 80 16.190 2.580 -1.993 1.00 0.00 C ATOM 1068 C ARG A 80 16.549 2.635 -3.473 1.00 0.00 C ATOM 1069 O ARG A 80 17.306 3.502 -3.910 1.00 0.00 O ATOM 1070 CB ARG A 80 16.701 1.275 -1.379 1.00 0.00 C ATOM 1071 CG ARG A 80 18.182 1.299 -1.042 1.00 0.00 C ATOM 1072 CD ARG A 80 18.412 1.491 0.449 1.00 0.00 C ATOM 1073 NE ARG A 80 19.433 2.498 0.721 1.00 0.00 N ATOM 1074 CZ ARG A 80 20.707 2.370 0.362 1.00 0.00 C ATOM 1075 NH1 ARG A 80 21.111 1.283 -0.280 1.00 0.00 N ATOM 1076 NH2 ARG A 80 21.576 3.329 0.646 1.00 0.00 N ATOM 0 H ARG A 80 14.443 3.588 -1.421 1.00 0.00 H new ATOM 0 HA ARG A 80 16.667 3.418 -1.485 1.00 0.00 H new ATOM 0 HB2 ARG A 80 16.134 1.064 -0.472 1.00 0.00 H new ATOM 0 HB3 ARG A 80 16.508 0.457 -2.073 1.00 0.00 H new ATOM 0 HG2 ARG A 80 18.645 0.367 -1.365 1.00 0.00 H new ATOM 0 HG3 ARG A 80 18.668 2.104 -1.593 1.00 0.00 H new ATOM 0 HD2 ARG A 80 17.477 1.786 0.925 1.00 0.00 H new ATOM 0 HD3 ARG A 80 18.711 0.542 0.895 1.00 0.00 H new ATOM 0 HE ARG A 80 19.154 3.347 1.214 1.00 0.00 H new ATOM 0 HH11 ARG A 80 20.444 0.543 -0.499 1.00 0.00 H new ATOM 0 HH12 ARG A 80 22.089 1.187 -0.555 1.00 0.00 H new ATOM 0 HH21 ARG A 80 21.268 4.166 1.140 1.00 0.00 H new ATOM 0 HH22 ARG A 80 22.553 3.230 0.370 1.00 0.00 H new ATOM 1090 N GLY A 81 15.995 1.702 -4.238 1.00 0.00 N ATOM 1091 CA GLY A 81 16.258 1.657 -5.664 1.00 0.00 C ATOM 1092 C GLY A 81 15.265 0.785 -6.408 1.00 0.00 C ATOM 1093 O GLY A 81 15.564 0.272 -7.486 1.00 0.00 O ATOM 0 H GLY A 81 15.367 0.975 -3.896 1.00 0.00 H new ATOM 0 HA2 GLY A 81 16.224 2.668 -6.069 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.267 1.280 -5.833 1.00 0.00 H new ATOM 1097 N GLN A 82 14.079 0.620 -5.831 1.00 0.00 N ATOM 1098 CA GLN A 82 13.035 -0.191 -6.445 1.00 0.00 C ATOM 1099 C GLN A 82 11.719 0.578 -6.496 1.00 0.00 C ATOM 1100 O GLN A 82 11.046 0.741 -5.478 1.00 0.00 O ATOM 1101 CB GLN A 82 12.849 -1.496 -5.669 1.00 0.00 C ATOM 1102 CG GLN A 82 12.685 -2.716 -6.561 1.00 0.00 C ATOM 1103 CD GLN A 82 13.950 -3.054 -7.324 1.00 0.00 C ATOM 1104 OE1 GLN A 82 14.520 -2.206 -8.011 1.00 0.00 O ATOM 1105 NE2 GLN A 82 14.396 -4.300 -7.210 1.00 0.00 N ATOM 0 H GLN A 82 13.817 1.038 -4.938 1.00 0.00 H new ATOM 0 HA GLN A 82 13.340 -0.427 -7.464 1.00 0.00 H new ATOM 0 HB2 GLN A 82 13.709 -1.646 -5.016 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.973 -1.405 -5.027 1.00 0.00 H new ATOM 0 HG2 GLN A 82 12.394 -3.571 -5.951 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.875 -2.538 -7.268 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.892 -4.971 -6.630 1.00 0.00 H new ATOM 0 HE22 GLN A 82 15.242 -4.586 -7.703 1.00 0.00 H new ATOM 1114 N PRO A 83 11.340 1.072 -7.685 1.00 0.00 N ATOM 1115 CA PRO A 83 10.102 1.840 -7.863 1.00 0.00 C ATOM 1116 C PRO A 83 8.854 1.018 -7.565 1.00 0.00 C ATOM 1117 O PRO A 83 8.576 0.023 -8.234 1.00 0.00 O ATOM 1118 CB PRO A 83 10.135 2.250 -9.340 1.00 0.00 C ATOM 1119 CG PRO A 83 11.072 1.292 -9.989 1.00 0.00 C ATOM 1120 CD PRO A 83 12.089 0.930 -8.945 1.00 0.00 C ATOM 0 HA PRO A 83 10.053 2.685 -7.176 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.142 2.194 -9.787 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.479 3.278 -9.456 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.542 0.406 -10.340 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.550 1.743 -10.858 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.461 -0.085 -9.080 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.953 1.593 -8.977 1.00 0.00 H new ATOM 1128 N ILE A 84 8.101 1.448 -6.558 1.00 0.00 N ATOM 1129 CA ILE A 84 6.876 0.763 -6.167 1.00 0.00 C ATOM 1130 C ILE A 84 5.729 1.759 -6.011 1.00 0.00 C ATOM 1131 O ILE A 84 5.733 2.589 -5.102 1.00 0.00 O ATOM 1132 CB ILE A 84 7.066 -0.026 -4.854 1.00 0.00 C ATOM 1133 CG1 ILE A 84 7.020 0.909 -3.643 1.00 0.00 C ATOM 1134 CG2 ILE A 84 8.383 -0.787 -4.890 1.00 0.00 C ATOM 1135 CD1 ILE A 84 7.466 0.252 -2.352 1.00 0.00 C ATOM 0 H ILE A 84 8.319 2.271 -5.996 1.00 0.00 H new ATOM 0 HA ILE A 84 6.630 0.056 -6.959 1.00 0.00 H new ATOM 0 HB ILE A 84 6.248 -0.740 -4.759 1.00 0.00 H new ATOM 0 HG12 ILE A 84 7.653 1.774 -3.838 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.003 1.280 -3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 84 8.509 -1.341 -3.960 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.378 -1.483 -5.729 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.207 -0.083 -5.007 1.00 0.00 H new ATOM 0 HD11 ILE A 84 7.407 0.974 -1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.818 -0.596 -2.133 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.494 -0.095 -2.456 1.00 0.00 H new ATOM 1147 N TYR A 85 4.758 1.679 -6.915 1.00 0.00 N ATOM 1148 CA TYR A 85 3.611 2.581 -6.892 1.00 0.00 C ATOM 1149 C TYR A 85 2.599 2.169 -5.828 1.00 0.00 C ATOM 1150 O TYR A 85 2.652 1.060 -5.299 1.00 0.00 O ATOM 1151 CB TYR A 85 2.934 2.610 -8.264 1.00 0.00 C ATOM 1152 CG TYR A 85 3.599 3.541 -9.253 1.00 0.00 C ATOM 1153 CD1 TYR A 85 3.729 4.897 -8.980 1.00 0.00 C ATOM 1154 CD2 TYR A 85 4.095 3.064 -10.459 1.00 0.00 C ATOM 1155 CE1 TYR A 85 4.335 5.750 -9.883 1.00 0.00 C ATOM 1156 CE2 TYR A 85 4.702 3.910 -11.367 1.00 0.00 C ATOM 1157 CZ TYR A 85 4.819 5.253 -11.074 1.00 0.00 C ATOM 1158 OH TYR A 85 5.422 6.099 -11.976 1.00 0.00 O ATOM 0 H TYR A 85 4.742 0.998 -7.674 1.00 0.00 H new ATOM 0 HA TYR A 85 3.978 3.577 -6.646 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.927 1.601 -8.677 1.00 0.00 H new ATOM 0 HB3 TYR A 85 1.894 2.910 -8.139 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.351 5.291 -8.048 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.005 2.013 -10.691 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.429 6.802 -9.656 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.083 3.522 -12.300 1.00 0.00 H new ATOM 0 HH TYR A 85 6.357 6.240 -11.718 1.00 0.00 H new ATOM 1168 N ILE A 86 1.676 3.077 -5.524 1.00 0.00 N ATOM 1169 CA ILE A 86 0.645 2.824 -4.530 1.00 0.00 C ATOM 1170 C ILE A 86 -0.744 2.915 -5.154 1.00 0.00 C ATOM 1171 O ILE A 86 -0.990 3.756 -6.018 1.00 0.00 O ATOM 1172 CB ILE A 86 0.739 3.830 -3.370 1.00 0.00 C ATOM 1173 CG1 ILE A 86 2.053 3.648 -2.606 1.00 0.00 C ATOM 1174 CG2 ILE A 86 -0.450 3.675 -2.439 1.00 0.00 C ATOM 1175 CD1 ILE A 86 2.199 2.285 -1.968 1.00 0.00 C ATOM 0 H ILE A 86 1.624 3.999 -5.956 1.00 0.00 H new ATOM 0 HA ILE A 86 0.805 1.817 -4.146 1.00 0.00 H new ATOM 0 HB ILE A 86 0.723 4.839 -3.783 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.886 3.811 -3.289 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.122 4.412 -1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.369 4.393 -1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.371 3.856 -2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.464 2.664 -2.032 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.153 2.229 -1.444 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.386 2.126 -1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.163 1.516 -2.740 1.00 0.00 H new ATOM 1187 N GLN A 87 -1.647 2.047 -4.713 1.00 0.00 N ATOM 1188 CA GLN A 87 -3.009 2.035 -5.236 1.00 0.00 C ATOM 1189 C GLN A 87 -4.019 1.746 -4.129 1.00 0.00 C ATOM 1190 O GLN A 87 -3.645 1.391 -3.011 1.00 0.00 O ATOM 1191 CB GLN A 87 -3.143 0.992 -6.347 1.00 0.00 C ATOM 1192 CG GLN A 87 -3.438 1.593 -7.712 1.00 0.00 C ATOM 1193 CD GLN A 87 -4.892 1.990 -7.874 1.00 0.00 C ATOM 1194 OE1 GLN A 87 -5.710 1.780 -6.976 1.00 0.00 O ATOM 1195 NE2 GLN A 87 -5.225 2.569 -9.022 1.00 0.00 N ATOM 0 H GLN A 87 -1.462 1.344 -3.997 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.220 3.023 -5.645 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.220 0.414 -6.405 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.940 0.295 -6.086 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.807 2.469 -7.863 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.174 0.873 -8.486 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.517 2.724 -9.739 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -6.189 2.858 -9.186 1.00 0.00 H new ATOM 1204 N PHE A 88 -5.300 1.899 -4.450 1.00 0.00 N ATOM 1205 CA PHE A 88 -6.365 1.653 -3.486 1.00 0.00 C ATOM 1206 C PHE A 88 -6.841 0.206 -3.559 1.00 0.00 C ATOM 1207 O PHE A 88 -6.493 -0.525 -4.486 1.00 0.00 O ATOM 1208 CB PHE A 88 -7.541 2.597 -3.741 1.00 0.00 C ATOM 1209 CG PHE A 88 -7.291 4.009 -3.291 1.00 0.00 C ATOM 1210 CD1 PHE A 88 -6.968 4.283 -1.972 1.00 0.00 C ATOM 1211 CD2 PHE A 88 -7.380 5.061 -4.188 1.00 0.00 C ATOM 1212 CE1 PHE A 88 -6.738 5.580 -1.555 1.00 0.00 C ATOM 1213 CE2 PHE A 88 -7.151 6.361 -3.778 1.00 0.00 C ATOM 1214 CZ PHE A 88 -6.830 6.621 -2.460 1.00 0.00 C ATOM 0 H PHE A 88 -5.625 2.192 -5.371 1.00 0.00 H new ATOM 0 HA PHE A 88 -5.966 1.838 -2.489 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.769 2.600 -4.807 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -8.422 2.212 -3.228 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -6.895 3.473 -1.261 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.631 4.863 -5.220 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.487 5.780 -0.524 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.223 7.172 -4.487 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.651 7.636 -2.137 1.00 0.00 H new ATOM 1224 N SER A 89 -7.637 -0.202 -2.576 1.00 0.00 N ATOM 1225 CA SER A 89 -8.160 -1.562 -2.530 1.00 0.00 C ATOM 1226 C SER A 89 -9.553 -1.587 -1.908 1.00 0.00 C ATOM 1227 O SER A 89 -9.991 -0.610 -1.302 1.00 0.00 O ATOM 1228 CB SER A 89 -7.216 -2.467 -1.736 1.00 0.00 C ATOM 1229 OG SER A 89 -7.889 -3.622 -1.269 1.00 0.00 O ATOM 0 H SER A 89 -7.934 0.390 -1.800 1.00 0.00 H new ATOM 0 HA SER A 89 -8.232 -1.933 -3.552 1.00 0.00 H new ATOM 0 HB2 SER A 89 -6.375 -2.761 -2.364 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.804 -1.916 -0.891 1.00 0.00 H new ATOM 0 HG SER A 89 -7.234 -4.319 -1.056 1.00 0.00 H new ATOM 1235 N ASN A 90 -10.244 -2.712 -2.065 1.00 0.00 N ATOM 1236 CA ASN A 90 -11.589 -2.865 -1.519 1.00 0.00 C ATOM 1237 C ASN A 90 -12.133 -4.261 -1.801 1.00 0.00 C ATOM 1238 O ASN A 90 -13.250 -4.414 -2.296 1.00 0.00 O ATOM 1239 CB ASN A 90 -12.525 -1.809 -2.111 1.00 0.00 C ATOM 1240 CG ASN A 90 -13.968 -2.017 -1.696 1.00 0.00 C ATOM 1241 OD1 ASN A 90 -14.248 -2.568 -0.631 1.00 0.00 O ATOM 1242 ND2 ASN A 90 -14.895 -1.576 -2.538 1.00 0.00 N ATOM 0 H ASN A 90 -9.896 -3.530 -2.565 1.00 0.00 H new ATOM 0 HA ASN A 90 -11.535 -2.727 -0.439 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -12.198 -0.819 -1.794 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -12.455 -1.835 -3.198 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -15.883 -1.688 -2.313 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -14.619 -1.125 -3.410 1.00 0.00 H new ATOM 1249 N HIS A 91 -11.336 -5.277 -1.486 1.00 0.00 N ATOM 1250 CA HIS A 91 -11.737 -6.661 -1.707 1.00 0.00 C ATOM 1251 C HIS A 91 -11.198 -7.568 -0.606 1.00 0.00 C ATOM 1252 O HIS A 91 -11.916 -7.924 0.328 1.00 0.00 O ATOM 1253 CB HIS A 91 -11.243 -7.144 -3.069 1.00 0.00 C ATOM 1254 CG HIS A 91 -12.347 -7.526 -4.005 1.00 0.00 C ATOM 1255 ND1 HIS A 91 -12.136 -7.829 -5.334 1.00 0.00 N ATOM 1256 CD2 HIS A 91 -13.679 -7.655 -3.800 1.00 0.00 C ATOM 1257 CE1 HIS A 91 -13.290 -8.126 -5.905 1.00 0.00 C ATOM 1258 NE2 HIS A 91 -14.241 -8.028 -4.995 1.00 0.00 N ATOM 0 H HIS A 91 -10.408 -5.167 -1.077 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.826 -6.705 -1.686 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -10.644 -6.358 -3.529 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.587 -8.002 -2.925 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -14.202 -7.494 -2.869 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -13.431 -8.402 -6.940 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -15.233 -8.202 -5.154 1.00 0.00 H new ATOM 1267 N LYS A 92 -9.927 -7.939 -0.724 1.00 0.00 N ATOM 1268 CA LYS A 92 -9.290 -8.806 0.260 1.00 0.00 C ATOM 1269 C LYS A 92 -8.990 -8.042 1.546 1.00 0.00 C ATOM 1270 O LYS A 92 -7.845 -7.992 1.997 1.00 0.00 O ATOM 1271 CB LYS A 92 -7.997 -9.395 -0.310 1.00 0.00 C ATOM 1272 CG LYS A 92 -7.209 -8.417 -1.165 1.00 0.00 C ATOM 1273 CD LYS A 92 -7.416 -8.682 -2.648 1.00 0.00 C ATOM 1274 CE LYS A 92 -7.123 -10.130 -3.002 1.00 0.00 C ATOM 1275 NZ LYS A 92 -8.303 -10.803 -3.614 1.00 0.00 N ATOM 0 H LYS A 92 -9.318 -7.653 -1.491 1.00 0.00 H new ATOM 0 HA LYS A 92 -9.980 -9.617 0.493 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -7.368 -9.734 0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -8.240 -10.273 -0.908 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -7.515 -7.398 -0.930 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.149 -8.494 -0.925 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.443 -8.440 -2.922 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.768 -8.026 -3.230 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.282 -10.171 -3.694 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -6.823 -10.670 -2.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -8.061 -11.789 -3.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -9.098 -10.787 -2.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -8.574 -10.304 -4.485 1.00 0.00 H new ATOM 1289 N GLU A 93 -10.025 -7.448 2.130 1.00 0.00 N ATOM 1290 CA GLU A 93 -9.872 -6.686 3.364 1.00 0.00 C ATOM 1291 C GLU A 93 -8.961 -7.416 4.346 1.00 0.00 C ATOM 1292 O GLU A 93 -8.860 -8.643 4.319 1.00 0.00 O ATOM 1293 CB GLU A 93 -11.238 -6.437 4.007 1.00 0.00 C ATOM 1294 CG GLU A 93 -11.892 -5.139 3.564 1.00 0.00 C ATOM 1295 CD GLU A 93 -11.393 -3.938 4.343 1.00 0.00 C ATOM 1296 OE1 GLU A 93 -11.630 -3.887 5.569 1.00 0.00 O ATOM 1297 OE2 GLU A 93 -10.765 -3.051 3.729 1.00 0.00 O ATOM 0 H GLU A 93 -10.978 -7.479 1.769 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.415 -5.728 3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.900 -7.268 3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.123 -6.425 5.091 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -11.700 -4.984 2.502 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -12.972 -5.222 3.684 1.00 0.00 H new ATOM 1304 N LEU A 94 -8.301 -6.654 5.211 1.00 0.00 N ATOM 1305 CA LEU A 94 -7.399 -7.229 6.202 1.00 0.00 C ATOM 1306 C LEU A 94 -7.970 -7.083 7.609 1.00 0.00 C ATOM 1307 O LEU A 94 -8.348 -5.988 8.025 1.00 0.00 O ATOM 1308 CB LEU A 94 -6.025 -6.558 6.123 1.00 0.00 C ATOM 1309 CG LEU A 94 -5.106 -7.091 5.022 1.00 0.00 C ATOM 1310 CD1 LEU A 94 -5.922 -7.542 3.820 1.00 0.00 C ATOM 1311 CD2 LEU A 94 -4.093 -6.032 4.615 1.00 0.00 C ATOM 0 H LEU A 94 -8.374 -5.637 5.246 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.290 -8.291 5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.168 -5.488 5.969 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.523 -6.678 7.083 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.564 -7.953 5.411 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.253 -7.918 3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.608 -8.333 4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.491 -6.698 3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.448 -6.428 3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.617 -5.151 4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.488 -5.757 5.479 1.00 0.00 H new ATOM 1323 N LYS A 95 -8.032 -8.194 8.335 1.00 0.00 N ATOM 1324 CA LYS A 95 -8.560 -8.189 9.695 1.00 0.00 C ATOM 1325 C LYS A 95 -7.828 -7.169 10.561 1.00 0.00 C ATOM 1326 O LYS A 95 -6.629 -6.945 10.393 1.00 0.00 O ATOM 1327 CB LYS A 95 -8.446 -9.579 10.322 1.00 0.00 C ATOM 1328 CG LYS A 95 -7.285 -10.392 9.781 1.00 0.00 C ATOM 1329 CD LYS A 95 -7.017 -11.621 10.633 1.00 0.00 C ATOM 1330 CE LYS A 95 -6.663 -11.243 12.062 1.00 0.00 C ATOM 1331 NZ LYS A 95 -5.810 -12.274 12.715 1.00 0.00 N ATOM 0 H LYS A 95 -7.724 -9.109 8.005 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.612 -7.909 9.643 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.335 -9.474 11.401 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.374 -10.125 10.149 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.500 -10.698 8.757 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -6.390 -9.771 9.746 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -7.897 -12.264 10.633 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.202 -12.197 10.196 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.142 -10.286 12.066 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.578 -11.110 12.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.591 -11.978 13.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.317 -13.182 12.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.925 -12.383 12.179 1.00 0.00 H new ATOM 1345 N THR A 96 -8.557 -6.555 11.487 1.00 0.00 N ATOM 1346 CA THR A 96 -7.976 -5.559 12.380 1.00 0.00 C ATOM 1347 C THR A 96 -7.265 -6.223 13.554 1.00 0.00 C ATOM 1348 O THR A 96 -7.834 -7.077 14.234 1.00 0.00 O ATOM 1349 CB THR A 96 -9.049 -4.597 12.923 1.00 0.00 C ATOM 1350 OG1 THR A 96 -10.087 -5.338 13.576 1.00 0.00 O ATOM 1351 CG2 THR A 96 -9.647 -3.763 11.800 1.00 0.00 C ATOM 0 H THR A 96 -9.550 -6.729 11.639 1.00 0.00 H new ATOM 0 HA THR A 96 -7.253 -4.992 11.794 1.00 0.00 H new ATOM 0 HB THR A 96 -8.574 -3.927 13.640 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.716 -6.168 13.942 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.402 -3.091 12.208 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.861 -3.178 11.323 1.00 0.00 H new ATOM 0 HG23 THR A 96 -10.107 -4.421 11.063 1.00 0.00 H new ATOM 1359 N ASP A 97 -6.018 -5.825 13.785 1.00 0.00 N ATOM 1360 CA ASP A 97 -5.230 -6.382 14.877 1.00 0.00 C ATOM 1361 C ASP A 97 -4.004 -5.518 15.158 1.00 0.00 C ATOM 1362 O ASP A 97 -3.743 -4.545 14.450 1.00 0.00 O ATOM 1363 CB ASP A 97 -4.797 -7.811 14.546 1.00 0.00 C ATOM 1364 CG ASP A 97 -4.706 -8.688 15.778 1.00 0.00 C ATOM 1365 OD1 ASP A 97 -4.776 -8.145 16.900 1.00 0.00 O ATOM 1366 OD2 ASP A 97 -4.565 -9.920 15.621 1.00 0.00 O ATOM 0 H ASP A 97 -5.532 -5.120 13.231 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.854 -6.398 15.771 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.506 -8.249 13.843 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -3.828 -7.788 14.048 1.00 0.00 H new ATOM 1371 N SER A 98 -3.255 -5.880 16.193 1.00 0.00 N ATOM 1372 CA SER A 98 -2.057 -5.138 16.567 1.00 0.00 C ATOM 1373 C SER A 98 -0.880 -5.522 15.676 1.00 0.00 C ATOM 1374 O SER A 98 -0.389 -4.707 14.893 1.00 0.00 O ATOM 1375 CB SER A 98 -1.707 -5.398 18.034 1.00 0.00 C ATOM 1376 OG SER A 98 -2.406 -6.524 18.533 1.00 0.00 O ATOM 0 H SER A 98 -3.456 -6.683 16.788 1.00 0.00 H new ATOM 0 HA SER A 98 -2.261 -4.076 16.432 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.634 -5.560 18.132 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.953 -4.520 18.631 1.00 0.00 H new ATOM 0 HG SER A 98 -2.164 -6.670 19.471 1.00 0.00 H new ATOM 1382 N SER A 99 -0.431 -6.766 15.800 1.00 0.00 N ATOM 1383 CA SER A 99 0.688 -7.259 15.006 1.00 0.00 C ATOM 1384 C SER A 99 0.210 -8.232 13.935 1.00 0.00 C ATOM 1385 O SER A 99 0.513 -9.438 14.054 1.00 0.00 O ATOM 1386 CB SER A 99 1.720 -7.939 15.907 1.00 0.00 C ATOM 1387 OG SER A 99 1.089 -8.757 16.877 1.00 0.00 O ATOM 0 H SER A 99 -0.825 -7.452 16.444 1.00 0.00 H new ATOM 0 HA SER A 99 1.153 -6.406 14.513 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.395 -8.543 15.301 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.328 -7.183 16.404 1.00 0.00 H new ATOM 0 HG SER A 99 0.558 -9.447 16.427 1.00 0.00 H new TER 1393 SER A 99