USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 719 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 NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 88 ZNZN :(H bumps) USER MOD Set 1.1: A 3 GLN : amide:sc= -0.0552 X(o=-0.055,f=0) USER MOD Set 1.2: A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 21 SER OG : rot 180:sc= 0.0549 USER MOD Set 2.2: A 23 HIS : no HD1:sc= -3.98 X(o=-4.3,f=-3.9) USER MOD Set 2.3: A 55 SER OG : rot -32:sc= -0.337 USER MOD Single : A 1 MET CE :methyl -130:sc= 0 (180deg=-0.00571) USER MOD Single : A 1 MET N :NH3+ 169:sc= -1.84 (180deg=-2.37) USER MOD Single : A 4 SER OG : rot 180:sc= 0.106 USER MOD Single : A 6 SER OG : rot 150:sc= -3.3! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -12.1! C(o=-12!,f=-11!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -150:sc= -0.357 (180deg=-1.18!) USER MOD Single : A 18 LYS NZ :NH3+ -142:sc= -0.635 (180deg=-1.38!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0308 USER MOD Single : A 33 CYS SG : rot 130:sc= -0.0047 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 46 LYS NZ :NH3+ 164:sc= -0.176 (180deg=-0.661) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -153:sc= -0.96 (180deg=-2.37!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -68:sc= -0.0497 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.445 USER MOD Single : A 62 CYS SG : rot -29:sc= -0.499 USER MOD Single : A 64 LYS NZ :NH3+ -137:sc= -0.0856 (180deg=-0.479) USER MOD Single : A 67 CYS SG : rot 180:sc= 0.0393 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 69 ASN : amide:sc= -0.557 K(o=-0.56,f=-4!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.337 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.435 10.089 8.778 1.00 0.00 N ATOM 2 CA MET A 1 -10.151 10.110 9.529 1.00 0.00 C ATOM 3 C MET A 1 -10.007 8.872 10.410 1.00 0.00 C ATOM 4 O MET A 1 -10.564 8.812 11.506 1.00 0.00 O ATOM 5 CB MET A 1 -10.108 11.378 10.386 1.00 0.00 C ATOM 6 CG MET A 1 -9.229 12.474 9.806 1.00 0.00 C ATOM 7 SD MET A 1 -7.495 11.991 9.706 1.00 0.00 S ATOM 8 CE MET A 1 -6.856 13.253 8.606 1.00 0.00 C ATOM 0 H1 MET A 1 -11.594 11.017 8.336 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.394 9.357 8.041 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.216 9.879 9.432 1.00 0.00 H new ATOM 0 HA MET A 1 -9.322 10.107 8.821 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.122 11.761 10.505 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.746 11.122 11.382 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.588 12.734 8.810 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.318 13.370 10.421 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.288 12.783 7.804 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.685 13.818 8.180 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.206 13.927 9.164 1.00 0.00 H new ATOM 20 N VAL A 2 -9.257 7.888 9.924 1.00 0.00 N ATOM 21 CA VAL A 2 -9.044 6.652 10.675 1.00 0.00 C ATOM 22 C VAL A 2 -7.577 6.466 11.058 1.00 0.00 C ATOM 23 O VAL A 2 -7.259 5.725 11.988 1.00 0.00 O ATOM 24 CB VAL A 2 -9.530 5.410 9.889 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.561 5.033 8.769 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.735 4.236 10.834 1.00 0.00 C ATOM 0 H VAL A 2 -8.788 7.920 9.019 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.636 6.745 11.586 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.483 5.663 9.425 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.938 4.157 8.241 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.470 5.865 8.071 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.583 4.808 9.194 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.077 3.369 10.269 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.793 3.998 11.329 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.482 4.498 11.583 1.00 0.00 H new ATOM 36 N GLN A 3 -6.686 7.135 10.332 1.00 0.00 N ATOM 37 CA GLN A 3 -5.264 7.040 10.589 1.00 0.00 C ATOM 38 C GLN A 3 -4.501 7.824 9.538 1.00 0.00 C ATOM 39 O GLN A 3 -4.958 7.996 8.408 1.00 0.00 O ATOM 40 CB GLN A 3 -4.813 5.567 10.611 1.00 0.00 C ATOM 41 CG GLN A 3 -3.734 5.187 9.590 1.00 0.00 C ATOM 42 CD GLN A 3 -3.045 3.882 9.940 1.00 0.00 C ATOM 43 OE1 GLN A 3 -1.820 3.781 9.886 1.00 0.00 O ATOM 44 NE2 GLN A 3 -3.833 2.875 10.299 1.00 0.00 N ATOM 0 H GLN A 3 -6.932 7.751 9.557 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.051 7.468 11.569 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -4.441 5.335 11.609 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.686 4.936 10.442 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.186 5.103 8.602 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.992 5.984 9.535 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -4.844 3.005 10.330 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.427 1.972 10.544 1.00 0.00 H new ATOM 53 N SER A 4 -3.339 8.290 9.929 1.00 0.00 N ATOM 54 CA SER A 4 -2.485 9.063 9.040 1.00 0.00 C ATOM 55 C SER A 4 -1.795 8.174 8.014 1.00 0.00 C ATOM 56 O SER A 4 -1.829 6.949 8.099 1.00 0.00 O ATOM 57 CB SER A 4 -1.433 9.847 9.821 1.00 0.00 C ATOM 58 OG SER A 4 -1.536 9.596 11.212 1.00 0.00 O ATOM 0 H SER A 4 -2.955 8.149 10.863 1.00 0.00 H new ATOM 0 HA SER A 4 -3.133 9.765 8.516 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.438 9.573 9.472 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.555 10.913 9.631 1.00 0.00 H new ATOM 0 HG SER A 4 -0.850 10.109 11.689 1.00 0.00 H new ATOM 64 N CYS A 5 -1.174 8.821 7.046 1.00 0.00 N ATOM 65 CA CYS A 5 -0.464 8.133 5.979 1.00 0.00 C ATOM 66 C CYS A 5 0.925 8.766 5.803 1.00 0.00 C ATOM 67 O CYS A 5 1.249 9.739 6.483 1.00 0.00 O ATOM 68 CB CYS A 5 -1.339 8.171 4.714 1.00 0.00 C ATOM 69 SG CYS A 5 -0.534 8.770 3.214 1.00 0.00 S ATOM 0 H CYS A 5 -1.146 9.838 6.975 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.288 7.083 6.213 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.713 7.165 4.525 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -2.205 8.801 4.914 1.00 0.00 H new ATOM 74 N SER A 6 1.760 8.198 4.934 1.00 0.00 N ATOM 75 CA SER A 6 3.117 8.713 4.747 1.00 0.00 C ATOM 76 C SER A 6 3.141 9.994 3.926 1.00 0.00 C ATOM 77 O SER A 6 3.868 10.933 4.249 1.00 0.00 O ATOM 78 CB SER A 6 3.993 7.658 4.080 1.00 0.00 C ATOM 79 OG SER A 6 5.351 8.062 4.070 1.00 0.00 O ATOM 0 H SER A 6 1.526 7.392 4.355 1.00 0.00 H new ATOM 0 HA SER A 6 3.510 8.948 5.736 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.895 6.710 4.610 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.652 7.489 3.059 1.00 0.00 H new ATOM 0 HG SER A 6 5.928 7.271 4.106 1.00 0.00 H new ATOM 85 N ALA A 7 2.355 10.019 2.860 1.00 0.00 N ATOM 86 CA ALA A 7 2.291 11.184 1.972 1.00 0.00 C ATOM 87 C ALA A 7 2.313 12.495 2.758 1.00 0.00 C ATOM 88 O ALA A 7 1.540 12.684 3.697 1.00 0.00 O ATOM 89 CB ALA A 7 1.057 11.113 1.088 1.00 0.00 C ATOM 0 H ALA A 7 1.749 9.247 2.583 1.00 0.00 H new ATOM 0 HA ALA A 7 3.178 11.165 1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.026 11.986 0.436 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.095 10.208 0.482 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.163 11.094 1.712 1.00 0.00 H new ATOM 95 N TYR A 8 3.217 13.389 2.371 1.00 0.00 N ATOM 96 CA TYR A 8 3.365 14.680 3.036 1.00 0.00 C ATOM 97 C TYR A 8 2.048 15.452 3.073 1.00 0.00 C ATOM 98 O TYR A 8 1.401 15.649 2.044 1.00 0.00 O ATOM 99 CB TYR A 8 4.435 15.516 2.332 1.00 0.00 C ATOM 100 CG TYR A 8 4.831 16.758 3.095 1.00 0.00 C ATOM 101 CD1 TYR A 8 5.817 16.710 4.072 1.00 0.00 C ATOM 102 CD2 TYR A 8 4.220 17.979 2.840 1.00 0.00 C ATOM 103 CE1 TYR A 8 6.182 17.843 4.775 1.00 0.00 C ATOM 104 CE2 TYR A 8 4.579 19.117 3.537 1.00 0.00 C ATOM 105 CZ TYR A 8 5.561 19.044 4.503 1.00 0.00 C ATOM 106 OH TYR A 8 5.922 20.174 5.200 1.00 0.00 O ATOM 0 H TYR A 8 3.862 13.242 1.595 1.00 0.00 H new ATOM 0 HA TYR A 8 3.670 14.487 4.064 1.00 0.00 H new ATOM 0 HB2 TYR A 8 5.320 14.900 2.174 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.068 15.806 1.347 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.307 15.772 4.286 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.451 18.040 2.084 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.949 17.788 5.533 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.093 20.058 3.327 1.00 0.00 H new ATOM 0 HH TYR A 8 5.390 20.935 4.887 1.00 0.00 H new ATOM 116 N GLY A 9 1.667 15.897 4.269 1.00 0.00 N ATOM 117 CA GLY A 9 0.439 16.659 4.435 1.00 0.00 C ATOM 118 C GLY A 9 -0.743 16.050 3.714 1.00 0.00 C ATOM 119 O GLY A 9 -1.492 16.748 3.030 1.00 0.00 O ATOM 0 H GLY A 9 2.190 15.742 5.131 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.208 16.736 5.497 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.596 17.673 4.069 1.00 0.00 H new ATOM 123 N CYS A 10 -0.909 14.751 3.871 1.00 0.00 N ATOM 124 CA CYS A 10 -2.004 14.038 3.240 1.00 0.00 C ATOM 125 C CYS A 10 -3.321 14.314 3.966 1.00 0.00 C ATOM 126 O CYS A 10 -3.323 14.724 5.127 1.00 0.00 O ATOM 127 CB CYS A 10 -1.709 12.537 3.219 1.00 0.00 C ATOM 128 SG CYS A 10 -2.919 11.580 2.285 1.00 0.00 S ATOM 0 H CYS A 10 -0.294 14.164 4.435 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.103 14.392 2.214 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.720 12.375 2.790 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.677 12.167 4.244 1.00 0.00 H new ATOM 133 N LYS A 11 -4.440 14.096 3.277 1.00 0.00 N ATOM 134 CA LYS A 11 -5.755 14.330 3.856 1.00 0.00 C ATOM 135 C LYS A 11 -6.596 13.056 3.853 1.00 0.00 C ATOM 136 O LYS A 11 -7.824 13.110 3.786 1.00 0.00 O ATOM 137 CB LYS A 11 -6.481 15.439 3.093 1.00 0.00 C ATOM 138 CG LYS A 11 -7.102 16.491 3.994 1.00 0.00 C ATOM 139 CD LYS A 11 -6.109 17.594 4.308 1.00 0.00 C ATOM 140 CE LYS A 11 -6.576 18.445 5.478 1.00 0.00 C ATOM 141 NZ LYS A 11 -5.436 19.099 6.179 1.00 0.00 N ATOM 0 H LYS A 11 -4.458 13.757 2.315 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.614 14.641 4.891 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.778 15.923 2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.262 14.993 2.477 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.982 16.916 3.510 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.441 16.027 4.920 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.138 17.156 4.539 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.973 18.224 3.429 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.267 19.208 5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.127 17.822 6.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.796 19.670 6.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.789 18.371 6.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.925 19.713 5.513 1.00 0.00 H new ATOM 155 N ASN A 12 -5.925 11.915 3.926 1.00 0.00 N ATOM 156 CA ASN A 12 -6.590 10.624 3.932 1.00 0.00 C ATOM 157 C ASN A 12 -7.631 10.522 5.033 1.00 0.00 C ATOM 158 O ASN A 12 -7.580 11.245 6.028 1.00 0.00 O ATOM 159 CB ASN A 12 -5.559 9.528 4.133 1.00 0.00 C ATOM 160 CG ASN A 12 -5.023 9.507 5.553 1.00 0.00 C ATOM 161 OD1 ASN A 12 -5.774 9.391 6.521 1.00 0.00 O ATOM 162 ND2 ASN A 12 -3.719 9.613 5.675 1.00 0.00 N ATOM 0 H ASN A 12 -4.908 11.860 3.982 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.097 10.512 2.974 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -6.006 8.562 3.900 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.734 9.674 3.436 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.291 9.601 6.601 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.135 9.707 4.844 1.00 0.00 H new ATOM 169 N ARG A 13 -8.554 9.591 4.856 1.00 0.00 N ATOM 170 CA ARG A 13 -9.602 9.359 5.857 1.00 0.00 C ATOM 171 C ARG A 13 -10.512 8.196 5.479 1.00 0.00 C ATOM 172 O ARG A 13 -11.283 8.287 4.523 1.00 0.00 O ATOM 173 CB ARG A 13 -10.444 10.622 6.070 1.00 0.00 C ATOM 174 CG ARG A 13 -10.369 11.625 4.926 1.00 0.00 C ATOM 175 CD ARG A 13 -11.542 12.592 4.949 1.00 0.00 C ATOM 176 NE ARG A 13 -12.734 12.023 4.326 1.00 0.00 N ATOM 177 CZ ARG A 13 -13.754 12.751 3.875 1.00 0.00 C ATOM 178 NH1 ARG A 13 -13.731 14.073 3.977 1.00 0.00 N ATOM 179 NH2 ARG A 13 -14.799 12.153 3.321 1.00 0.00 N ATOM 0 H ARG A 13 -8.606 8.984 4.038 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.094 9.102 6.786 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.484 10.331 6.215 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.119 11.111 6.988 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.435 12.184 4.992 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.355 11.092 3.975 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.767 12.864 5.980 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.265 13.510 4.430 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.789 11.009 4.231 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.929 14.538 4.403 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.515 14.625 3.630 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.821 11.136 3.240 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.581 12.709 2.975 1.00 0.00 H new ATOM 193 N TYR A 14 -10.436 7.102 6.243 1.00 0.00 N ATOM 194 CA TYR A 14 -11.273 5.940 5.980 1.00 0.00 C ATOM 195 C TYR A 14 -12.679 6.143 6.539 1.00 0.00 C ATOM 196 O TYR A 14 -13.006 5.642 7.615 1.00 0.00 O ATOM 197 CB TYR A 14 -10.643 4.701 6.607 1.00 0.00 C ATOM 198 CG TYR A 14 -11.331 3.406 6.231 1.00 0.00 C ATOM 199 CD1 TYR A 14 -11.597 3.092 4.902 1.00 0.00 C ATOM 200 CD2 TYR A 14 -11.714 2.494 7.208 1.00 0.00 C ATOM 201 CE1 TYR A 14 -12.225 1.910 4.560 1.00 0.00 C ATOM 202 CE2 TYR A 14 -12.341 1.309 6.872 1.00 0.00 C ATOM 203 CZ TYR A 14 -12.594 1.022 5.548 1.00 0.00 C ATOM 204 OH TYR A 14 -13.218 -0.156 5.211 1.00 0.00 O ATOM 0 H TYR A 14 -9.808 7.002 7.040 1.00 0.00 H new ATOM 0 HA TYR A 14 -11.348 5.807 4.901 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -9.597 4.646 6.306 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -10.658 4.807 7.692 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.308 3.784 4.125 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -11.518 2.715 8.247 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -12.426 1.683 3.524 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.631 0.611 7.643 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.410 -0.669 6.024 1.00 0.00 H new ATOM 214 N ASP A 15 -13.510 6.875 5.800 1.00 0.00 N ATOM 215 CA ASP A 15 -14.880 7.130 6.226 1.00 0.00 C ATOM 216 C ASP A 15 -15.784 5.963 5.846 1.00 0.00 C ATOM 217 O ASP A 15 -15.443 5.164 4.973 1.00 0.00 O ATOM 218 CB ASP A 15 -15.401 8.421 5.595 1.00 0.00 C ATOM 219 CG ASP A 15 -16.710 8.876 6.208 1.00 0.00 C ATOM 220 OD1 ASP A 15 -17.016 8.451 7.342 1.00 0.00 O ATOM 221 OD2 ASP A 15 -17.433 9.657 5.552 1.00 0.00 O ATOM 0 H ASP A 15 -13.258 7.299 4.907 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.887 7.239 7.311 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.655 9.207 5.713 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.538 8.270 4.524 1.00 0.00 H new ATOM 226 N LYS A 16 -16.936 5.866 6.502 1.00 0.00 N ATOM 227 CA LYS A 16 -17.882 4.789 6.223 1.00 0.00 C ATOM 228 C LYS A 16 -18.188 4.711 4.733 1.00 0.00 C ATOM 229 O LYS A 16 -18.478 3.641 4.198 1.00 0.00 O ATOM 230 CB LYS A 16 -19.177 5.003 7.011 1.00 0.00 C ATOM 231 CG LYS A 16 -20.235 3.935 6.757 1.00 0.00 C ATOM 232 CD LYS A 16 -21.508 4.535 6.178 1.00 0.00 C ATOM 233 CE LYS A 16 -22.372 3.476 5.509 1.00 0.00 C ATOM 234 NZ LYS A 16 -21.572 2.581 4.626 1.00 0.00 N ATOM 0 H LYS A 16 -17.237 6.517 7.228 1.00 0.00 H new ATOM 0 HA LYS A 16 -17.428 3.848 6.533 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -18.944 5.025 8.076 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -19.590 5.979 6.755 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -19.840 3.186 6.070 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -20.466 3.421 7.690 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -22.076 5.021 6.972 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -21.250 5.307 5.453 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -22.872 2.880 6.273 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -23.152 3.962 4.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -22.167 2.244 3.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -20.761 3.107 4.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -21.229 1.767 5.176 1.00 0.00 H new ATOM 248 N ASP A 17 -18.116 5.857 4.075 1.00 0.00 N ATOM 249 CA ASP A 17 -18.377 5.945 2.650 1.00 0.00 C ATOM 250 C ASP A 17 -17.093 5.744 1.857 1.00 0.00 C ATOM 251 O ASP A 17 -17.035 4.921 0.946 1.00 0.00 O ATOM 252 CB ASP A 17 -18.975 7.311 2.328 1.00 0.00 C ATOM 253 CG ASP A 17 -20.426 7.218 1.896 1.00 0.00 C ATOM 254 OD1 ASP A 17 -20.678 6.816 0.740 1.00 0.00 O ATOM 255 OD2 ASP A 17 -21.311 7.547 2.713 1.00 0.00 O ATOM 0 H ASP A 17 -17.876 6.747 4.512 1.00 0.00 H new ATOM 0 HA ASP A 17 -19.081 5.161 2.371 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.900 7.954 3.205 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.392 7.783 1.537 1.00 0.00 H new ATOM 260 N LYS A 18 -16.071 6.514 2.212 1.00 0.00 N ATOM 261 CA LYS A 18 -14.776 6.445 1.541 1.00 0.00 C ATOM 262 C LYS A 18 -14.047 5.140 1.867 1.00 0.00 C ATOM 263 O LYS A 18 -13.559 4.962 2.984 1.00 0.00 O ATOM 264 CB LYS A 18 -13.913 7.636 1.964 1.00 0.00 C ATOM 265 CG LYS A 18 -12.585 7.730 1.227 1.00 0.00 C ATOM 266 CD LYS A 18 -12.507 8.985 0.372 1.00 0.00 C ATOM 267 CE LYS A 18 -13.041 8.741 -1.031 1.00 0.00 C ATOM 268 NZ LYS A 18 -12.431 7.535 -1.657 1.00 0.00 N ATOM 0 H LYS A 18 -16.114 7.199 2.967 1.00 0.00 H new ATOM 0 HA LYS A 18 -14.950 6.476 0.465 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.475 8.555 1.799 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.719 7.569 3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.767 7.729 1.948 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.455 6.851 0.596 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.078 9.784 0.845 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.472 9.323 0.314 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.124 8.621 -0.991 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.840 9.613 -1.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.267 7.714 -2.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.526 7.322 -1.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.074 6.725 -1.549 1.00 0.00 H new ATOM 282 N PRO A 19 -13.963 4.202 0.901 1.00 0.00 N ATOM 283 CA PRO A 19 -13.293 2.911 1.101 1.00 0.00 C ATOM 284 C PRO A 19 -11.775 2.984 0.985 1.00 0.00 C ATOM 285 O PRO A 19 -11.136 2.088 0.430 1.00 0.00 O ATOM 286 CB PRO A 19 -13.826 2.084 -0.046 1.00 0.00 C ATOM 287 CG PRO A 19 -14.011 3.088 -1.136 1.00 0.00 C ATOM 288 CD PRO A 19 -14.526 4.304 -0.459 1.00 0.00 C ATOM 0 HA PRO A 19 -13.485 2.520 2.100 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.127 1.300 -0.336 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -14.765 1.594 0.213 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.071 3.291 -1.649 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.713 2.728 -1.888 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.198 5.214 -0.962 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.616 4.324 -0.442 1.00 0.00 H new ATOM 296 N VAL A 20 -11.214 4.049 1.498 1.00 0.00 N ATOM 297 CA VAL A 20 -9.771 4.257 1.451 1.00 0.00 C ATOM 298 C VAL A 20 -9.044 3.361 2.458 1.00 0.00 C ATOM 299 O VAL A 20 -9.202 3.503 3.669 1.00 0.00 O ATOM 300 CB VAL A 20 -9.406 5.747 1.685 1.00 0.00 C ATOM 301 CG1 VAL A 20 -9.200 6.061 3.161 1.00 0.00 C ATOM 302 CG2 VAL A 20 -8.172 6.122 0.881 1.00 0.00 C ATOM 0 H VAL A 20 -11.731 4.797 1.959 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.439 3.980 0.451 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.249 6.347 1.343 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.946 7.115 3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.117 5.846 3.710 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.389 5.447 3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.929 7.170 1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.333 5.498 1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.368 5.967 -0.180 1.00 0.00 H new ATOM 312 N SER A 21 -8.246 2.432 1.943 1.00 0.00 N ATOM 313 CA SER A 21 -7.497 1.516 2.793 1.00 0.00 C ATOM 314 C SER A 21 -6.064 1.999 2.978 1.00 0.00 C ATOM 315 O SER A 21 -5.582 2.846 2.225 1.00 0.00 O ATOM 316 CB SER A 21 -7.498 0.109 2.194 1.00 0.00 C ATOM 317 OG SER A 21 -7.621 0.155 0.783 1.00 0.00 O ATOM 0 H SER A 21 -8.102 2.294 0.943 1.00 0.00 H new ATOM 0 HA SER A 21 -7.983 1.487 3.768 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.576 -0.406 2.465 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.321 -0.468 2.615 1.00 0.00 H new ATOM 0 HG SER A 21 -7.617 -0.757 0.424 1.00 0.00 H new ATOM 323 N PHE A 22 -5.387 1.455 3.982 1.00 0.00 N ATOM 324 CA PHE A 22 -4.008 1.828 4.264 1.00 0.00 C ATOM 325 C PHE A 22 -3.100 0.611 4.170 1.00 0.00 C ATOM 326 O PHE A 22 -3.522 -0.513 4.447 1.00 0.00 O ATOM 327 CB PHE A 22 -3.919 2.492 5.638 1.00 0.00 C ATOM 328 CG PHE A 22 -4.501 3.880 5.630 1.00 0.00 C ATOM 329 CD1 PHE A 22 -5.862 4.066 5.442 1.00 0.00 C ATOM 330 CD2 PHE A 22 -3.691 4.996 5.777 1.00 0.00 C ATOM 331 CE1 PHE A 22 -6.405 5.335 5.405 1.00 0.00 C ATOM 332 CE2 PHE A 22 -4.230 6.270 5.733 1.00 0.00 C ATOM 333 CZ PHE A 22 -5.589 6.439 5.549 1.00 0.00 C ATOM 0 H PHE A 22 -5.772 0.753 4.615 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.670 2.548 3.519 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.446 1.882 6.371 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.876 2.537 5.952 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.506 3.207 5.323 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.629 4.870 5.927 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.468 5.464 5.263 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.589 7.132 5.842 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.012 7.432 5.518 1.00 0.00 H new ATOM 343 N HIS A 23 -1.865 0.832 3.737 1.00 0.00 N ATOM 344 CA HIS A 23 -0.918 -0.263 3.563 1.00 0.00 C ATOM 345 C HIS A 23 0.475 0.095 4.076 1.00 0.00 C ATOM 346 O HIS A 23 1.052 1.101 3.674 1.00 0.00 O ATOM 347 CB HIS A 23 -0.844 -0.633 2.084 1.00 0.00 C ATOM 348 CG HIS A 23 -2.176 -0.620 1.403 1.00 0.00 C ATOM 349 ND1 HIS A 23 -2.793 -1.756 0.928 1.00 0.00 N ATOM 350 CD2 HIS A 23 -3.017 0.405 1.131 1.00 0.00 C ATOM 351 CE1 HIS A 23 -3.956 -1.430 0.394 1.00 0.00 C ATOM 352 NE2 HIS A 23 -4.116 -0.124 0.504 1.00 0.00 N ATOM 0 H HIS A 23 -1.497 1.754 3.501 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.273 -1.111 4.149 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.177 0.063 1.575 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.404 -1.625 1.987 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.853 1.447 1.364 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.658 -2.116 -0.057 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -4.924 0.405 0.176 1.00 0.00 H new ATOM 361 N LYS A 24 1.015 -0.750 4.948 1.00 0.00 N ATOM 362 CA LYS A 24 2.351 -0.538 5.506 1.00 0.00 C ATOM 363 C LYS A 24 3.419 -0.771 4.441 1.00 0.00 C ATOM 364 O LYS A 24 3.163 -1.437 3.438 1.00 0.00 O ATOM 365 CB LYS A 24 2.583 -1.480 6.689 1.00 0.00 C ATOM 366 CG LYS A 24 2.147 -0.899 8.026 1.00 0.00 C ATOM 367 CD LYS A 24 0.634 -0.926 8.180 1.00 0.00 C ATOM 368 CE LYS A 24 0.029 0.455 7.982 1.00 0.00 C ATOM 369 NZ LYS A 24 -1.391 0.509 8.427 1.00 0.00 N ATOM 0 H LYS A 24 0.548 -1.592 5.286 1.00 0.00 H new ATOM 0 HA LYS A 24 2.421 0.493 5.852 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.043 -2.410 6.513 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.642 -1.731 6.740 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.606 -1.465 8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.504 0.127 8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.206 -1.619 7.456 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.375 -1.299 9.171 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.612 1.190 8.538 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.090 0.730 6.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.766 1.467 8.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.953 -0.174 7.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.447 0.271 9.438 1.00 0.00 H new ATOM 383 N PHE A 25 4.620 -0.229 4.655 1.00 0.00 N ATOM 384 CA PHE A 25 5.699 -0.408 3.689 1.00 0.00 C ATOM 385 C PHE A 25 6.034 -1.888 3.553 1.00 0.00 C ATOM 386 O PHE A 25 6.270 -2.578 4.546 1.00 0.00 O ATOM 387 CB PHE A 25 6.935 0.417 4.063 1.00 0.00 C ATOM 388 CG PHE A 25 7.170 1.557 3.106 1.00 0.00 C ATOM 389 CD1 PHE A 25 6.546 2.781 3.300 1.00 0.00 C ATOM 390 CD2 PHE A 25 7.993 1.398 2.001 1.00 0.00 C ATOM 391 CE1 PHE A 25 6.744 3.825 2.413 1.00 0.00 C ATOM 392 CE2 PHE A 25 8.190 2.437 1.107 1.00 0.00 C ATOM 393 CZ PHE A 25 7.566 3.652 1.313 1.00 0.00 C ATOM 0 H PHE A 25 4.865 0.327 5.474 1.00 0.00 H new ATOM 0 HA PHE A 25 5.359 -0.040 2.721 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.815 0.811 5.072 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.812 -0.231 4.076 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.898 2.921 4.153 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.487 0.452 1.836 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.257 4.775 2.579 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.831 2.297 0.249 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.719 4.464 0.618 1.00 0.00 H new ATOM 403 N PRO A 26 6.010 -2.406 2.314 1.00 0.00 N ATOM 404 CA PRO A 26 6.256 -3.818 2.033 1.00 0.00 C ATOM 405 C PRO A 26 7.727 -4.153 1.804 1.00 0.00 C ATOM 406 O PRO A 26 8.525 -3.291 1.438 1.00 0.00 O ATOM 407 CB PRO A 26 5.450 -4.001 0.755 1.00 0.00 C ATOM 408 CG PRO A 26 5.688 -2.735 0.018 1.00 0.00 C ATOM 409 CD PRO A 26 5.688 -1.663 1.074 1.00 0.00 C ATOM 0 HA PRO A 26 5.980 -4.470 2.862 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.788 -4.867 0.186 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.391 -4.151 0.965 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.637 -2.762 -0.517 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.909 -2.558 -0.724 1.00 0.00 H new ATOM 0 HD2 PRO A 26 6.428 -0.891 0.864 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.720 -1.166 1.143 1.00 0.00 H new ATOM 417 N LEU A 27 8.071 -5.421 2.023 1.00 0.00 N ATOM 418 CA LEU A 27 9.432 -5.896 1.844 1.00 0.00 C ATOM 419 C LEU A 27 9.531 -6.836 0.646 1.00 0.00 C ATOM 420 O LEU A 27 10.583 -6.947 0.017 1.00 0.00 O ATOM 421 CB LEU A 27 9.921 -6.607 3.108 1.00 0.00 C ATOM 422 CG LEU A 27 9.239 -7.947 3.406 1.00 0.00 C ATOM 423 CD1 LEU A 27 10.277 -9.046 3.588 1.00 0.00 C ATOM 424 CD2 LEU A 27 8.357 -7.838 4.642 1.00 0.00 C ATOM 0 H LEU A 27 7.415 -6.140 2.328 1.00 0.00 H new ATOM 0 HA LEU A 27 10.067 -5.030 1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.994 -6.775 3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.772 -5.944 3.960 1.00 0.00 H new ATOM 0 HG LEU A 27 8.608 -8.205 2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.774 -9.990 3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.866 -9.144 2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.934 -8.791 4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.882 -8.800 4.836 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.966 -7.554 5.500 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.590 -7.082 4.476 1.00 0.00 H new ATOM 436 N THR A 28 8.427 -7.508 0.331 1.00 0.00 N ATOM 437 CA THR A 28 8.390 -8.431 -0.798 1.00 0.00 C ATOM 438 C THR A 28 8.621 -7.673 -2.098 1.00 0.00 C ATOM 439 O THR A 28 9.157 -8.216 -3.063 1.00 0.00 O ATOM 440 CB THR A 28 7.049 -9.165 -0.847 1.00 0.00 C ATOM 441 OG1 THR A 28 5.972 -8.245 -0.878 1.00 0.00 O ATOM 442 CG2 THR A 28 6.829 -10.092 0.332 1.00 0.00 C ATOM 0 H THR A 28 7.547 -7.430 0.841 1.00 0.00 H new ATOM 0 HA THR A 28 9.183 -9.168 -0.671 1.00 0.00 H new ATOM 0 HB THR A 28 7.082 -9.763 -1.758 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.124 -8.735 -0.911 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.860 -10.581 0.235 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.615 -10.847 0.353 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.854 -9.516 1.257 1.00 0.00 H new ATOM 450 N ARG A 29 8.212 -6.407 -2.103 1.00 0.00 N ATOM 451 CA ARG A 29 8.365 -5.536 -3.251 1.00 0.00 C ATOM 452 C ARG A 29 9.488 -4.536 -2.984 1.00 0.00 C ATOM 453 O ARG A 29 9.263 -3.526 -2.329 1.00 0.00 O ATOM 454 CB ARG A 29 7.039 -4.817 -3.487 1.00 0.00 C ATOM 455 CG ARG A 29 7.079 -3.831 -4.635 1.00 0.00 C ATOM 456 CD ARG A 29 6.921 -2.411 -4.129 1.00 0.00 C ATOM 457 NE ARG A 29 5.549 -1.924 -4.297 1.00 0.00 N ATOM 458 CZ ARG A 29 5.205 -0.776 -4.902 1.00 0.00 C ATOM 459 NH1 ARG A 29 6.119 0.098 -5.333 1.00 0.00 N ATOM 460 NH2 ARG A 29 3.925 -0.493 -5.057 1.00 0.00 N ATOM 0 H ARG A 29 7.763 -5.960 -1.303 1.00 0.00 H new ATOM 0 HA ARG A 29 8.626 -6.110 -4.140 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.264 -5.558 -3.682 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.754 -4.290 -2.576 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.023 -3.928 -5.171 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.284 -4.060 -5.345 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.196 -2.368 -3.075 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.608 -1.756 -4.665 1.00 0.00 H new ATOM 0 HE ARG A 29 4.796 -2.503 -3.925 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.112 -0.098 -5.206 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.824 0.961 -5.789 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.215 -1.142 -4.719 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.646 0.375 -5.515 1.00 0.00 H new ATOM 474 N PRO A 30 10.727 -4.834 -3.448 1.00 0.00 N ATOM 475 CA PRO A 30 11.900 -3.984 -3.224 1.00 0.00 C ATOM 476 C PRO A 30 12.209 -2.982 -4.344 1.00 0.00 C ATOM 477 O PRO A 30 12.037 -1.781 -4.164 1.00 0.00 O ATOM 478 CB PRO A 30 13.004 -5.009 -3.099 1.00 0.00 C ATOM 479 CG PRO A 30 12.595 -6.149 -3.985 1.00 0.00 C ATOM 480 CD PRO A 30 11.096 -6.051 -4.190 1.00 0.00 C ATOM 0 HA PRO A 30 11.758 -3.332 -2.362 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.962 -4.594 -3.411 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.120 -5.337 -2.066 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.117 -6.098 -4.941 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.858 -7.103 -3.528 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.840 -5.970 -5.246 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.580 -6.929 -3.803 1.00 0.00 H new ATOM 488 N SER A 31 12.676 -3.461 -5.498 1.00 0.00 N ATOM 489 CA SER A 31 12.999 -2.562 -6.608 1.00 0.00 C ATOM 490 C SER A 31 11.823 -1.651 -6.882 1.00 0.00 C ATOM 491 O SER A 31 11.941 -0.425 -6.883 1.00 0.00 O ATOM 492 CB SER A 31 13.357 -3.360 -7.864 1.00 0.00 C ATOM 493 OG SER A 31 12.362 -4.325 -8.156 1.00 0.00 O ATOM 0 H SER A 31 12.837 -4.450 -5.688 1.00 0.00 H new ATOM 0 HA SER A 31 13.864 -1.959 -6.332 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.469 -2.682 -8.710 1.00 0.00 H new ATOM 0 HB3 SER A 31 14.318 -3.855 -7.723 1.00 0.00 H new ATOM 0 HG SER A 31 12.613 -4.820 -8.964 1.00 0.00 H new ATOM 499 N LEU A 32 10.678 -2.273 -7.057 1.00 0.00 N ATOM 500 CA LEU A 32 9.441 -1.562 -7.278 1.00 0.00 C ATOM 501 C LEU A 32 9.194 -0.632 -6.094 1.00 0.00 C ATOM 502 O LEU A 32 8.645 0.459 -6.236 1.00 0.00 O ATOM 503 CB LEU A 32 8.315 -2.573 -7.391 1.00 0.00 C ATOM 504 CG LEU A 32 6.889 -2.006 -7.453 1.00 0.00 C ATOM 505 CD1 LEU A 32 6.832 -0.657 -8.159 1.00 0.00 C ATOM 506 CD2 LEU A 32 5.975 -2.989 -8.153 1.00 0.00 C ATOM 0 H LEU A 32 10.580 -3.288 -7.050 1.00 0.00 H new ATOM 0 HA LEU A 32 9.492 -0.973 -8.194 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.483 -3.172 -8.286 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.377 -3.249 -6.538 1.00 0.00 H new ATOM 0 HG LEU A 32 6.556 -1.852 -6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.803 -0.299 -8.177 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.456 0.060 -7.625 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.196 -0.765 -9.181 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.965 -2.581 -8.194 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.337 -3.164 -9.166 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.964 -3.930 -7.604 1.00 0.00 H new ATOM 518 N CYS A 33 9.612 -1.097 -4.913 1.00 0.00 N ATOM 519 CA CYS A 33 9.452 -0.340 -3.673 1.00 0.00 C ATOM 520 C CYS A 33 10.031 1.060 -3.795 1.00 0.00 C ATOM 521 O CYS A 33 9.547 1.998 -3.168 1.00 0.00 O ATOM 522 CB CYS A 33 10.142 -1.062 -2.527 1.00 0.00 C ATOM 523 SG CYS A 33 9.421 -0.731 -0.901 1.00 0.00 S ATOM 0 H CYS A 33 10.067 -2.002 -4.792 1.00 0.00 H new ATOM 0 HA CYS A 33 8.383 -0.259 -3.475 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.108 -2.135 -2.715 1.00 0.00 H new ATOM 0 HB3 CYS A 33 11.193 -0.774 -2.511 1.00 0.00 H new ATOM 0 HG CYS A 33 9.204 -1.855 -0.285 1.00 0.00 H new ATOM 529 N LYS A 34 11.063 1.198 -4.614 1.00 0.00 N ATOM 530 CA LYS A 34 11.688 2.489 -4.826 1.00 0.00 C ATOM 531 C LYS A 34 10.598 3.486 -5.178 1.00 0.00 C ATOM 532 O LYS A 34 10.609 4.637 -4.748 1.00 0.00 O ATOM 533 CB LYS A 34 12.737 2.385 -5.953 1.00 0.00 C ATOM 534 CG LYS A 34 13.139 3.725 -6.562 1.00 0.00 C ATOM 535 CD LYS A 34 13.861 3.553 -7.898 1.00 0.00 C ATOM 536 CE LYS A 34 13.112 2.629 -8.855 1.00 0.00 C ATOM 537 NZ LYS A 34 13.496 2.873 -10.273 1.00 0.00 N ATOM 0 H LYS A 34 11.483 0.432 -5.140 1.00 0.00 H new ATOM 0 HA LYS A 34 12.205 2.821 -3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.628 1.896 -5.560 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.343 1.744 -6.742 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.250 4.339 -6.707 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.786 4.260 -5.867 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.988 4.529 -8.366 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.859 3.153 -7.719 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.320 1.591 -8.596 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.039 2.778 -8.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.966 2.227 -10.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.274 3.856 -10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.516 2.707 -10.390 1.00 0.00 H new ATOM 551 N GLU A 35 9.632 2.995 -5.941 1.00 0.00 N ATOM 552 CA GLU A 35 8.499 3.778 -6.354 1.00 0.00 C ATOM 553 C GLU A 35 7.781 4.333 -5.145 1.00 0.00 C ATOM 554 O GLU A 35 7.367 5.494 -5.116 1.00 0.00 O ATOM 555 CB GLU A 35 7.543 2.911 -7.170 1.00 0.00 C ATOM 556 CG GLU A 35 8.196 2.332 -8.395 1.00 0.00 C ATOM 557 CD GLU A 35 7.198 1.941 -9.467 1.00 0.00 C ATOM 558 OE1 GLU A 35 6.138 2.594 -9.552 1.00 0.00 O ATOM 559 OE2 GLU A 35 7.480 0.988 -10.223 1.00 0.00 O ATOM 0 H GLU A 35 9.621 2.036 -6.288 1.00 0.00 H new ATOM 0 HA GLU A 35 8.848 4.608 -6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.168 2.101 -6.544 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.681 3.508 -7.469 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.896 3.060 -8.806 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.778 1.455 -8.110 1.00 0.00 H new ATOM 566 N TRP A 36 7.665 3.487 -4.137 1.00 0.00 N ATOM 567 CA TRP A 36 7.010 3.873 -2.896 1.00 0.00 C ATOM 568 C TRP A 36 7.724 5.056 -2.279 1.00 0.00 C ATOM 569 O TRP A 36 7.092 5.931 -1.686 1.00 0.00 O ATOM 570 CB TRP A 36 6.922 2.710 -1.933 1.00 0.00 C ATOM 571 CG TRP A 36 5.633 1.964 -2.033 1.00 0.00 C ATOM 572 CD1 TRP A 36 4.974 1.584 -3.162 1.00 0.00 C ATOM 573 CD2 TRP A 36 4.841 1.525 -0.938 1.00 0.00 C ATOM 574 NE1 TRP A 36 3.822 0.910 -2.827 1.00 0.00 N ATOM 575 CE2 TRP A 36 3.724 0.861 -1.459 1.00 0.00 C ATOM 576 CE3 TRP A 36 4.973 1.621 0.437 1.00 0.00 C ATOM 577 CZ2 TRP A 36 2.753 0.298 -0.629 1.00 0.00 C ATOM 578 CZ3 TRP A 36 4.004 1.067 1.230 1.00 0.00 C ATOM 579 CH2 TRP A 36 2.922 0.418 0.703 1.00 0.00 C ATOM 0 H TRP A 36 8.015 2.529 -4.151 1.00 0.00 H new ATOM 0 HA TRP A 36 5.987 4.172 -3.123 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.748 2.024 -2.124 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.043 3.079 -0.915 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.306 1.782 -4.170 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.152 0.513 -3.486 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.823 2.123 0.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.896 -0.216 -1.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 4.097 1.145 2.303 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.186 -0.008 1.369 1.00 0.00 H new ATOM 590 N GLU A 37 9.037 5.118 -2.469 1.00 0.00 N ATOM 591 CA GLU A 37 9.804 6.242 -1.960 1.00 0.00 C ATOM 592 C GLU A 37 9.240 7.532 -2.527 1.00 0.00 C ATOM 593 O GLU A 37 9.157 8.553 -1.843 1.00 0.00 O ATOM 594 CB GLU A 37 11.264 6.099 -2.359 1.00 0.00 C ATOM 595 CG GLU A 37 11.891 4.802 -1.884 1.00 0.00 C ATOM 596 CD GLU A 37 13.259 5.003 -1.262 1.00 0.00 C ATOM 597 OE1 GLU A 37 13.865 6.072 -1.492 1.00 0.00 O ATOM 598 OE2 GLU A 37 13.726 4.092 -0.548 1.00 0.00 O ATOM 0 H GLU A 37 9.583 4.413 -2.964 1.00 0.00 H new ATOM 0 HA GLU A 37 9.737 6.262 -0.872 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.344 6.157 -3.444 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.829 6.938 -1.952 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.231 4.331 -1.155 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.977 4.116 -2.726 1.00 0.00 H new ATOM 605 N ALA A 38 8.829 7.457 -3.783 1.00 0.00 N ATOM 606 CA ALA A 38 8.241 8.600 -4.461 1.00 0.00 C ATOM 607 C ALA A 38 6.968 9.015 -3.750 1.00 0.00 C ATOM 608 O ALA A 38 6.646 10.198 -3.656 1.00 0.00 O ATOM 609 CB ALA A 38 7.961 8.272 -5.921 1.00 0.00 C ATOM 0 H ALA A 38 8.892 6.614 -4.354 1.00 0.00 H new ATOM 0 HA ALA A 38 8.947 9.430 -4.434 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.521 9.140 -6.411 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.893 8.007 -6.420 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.268 7.433 -5.979 1.00 0.00 H new ATOM 615 N ALA A 39 6.267 8.022 -3.221 1.00 0.00 N ATOM 616 CA ALA A 39 5.038 8.259 -2.480 1.00 0.00 C ATOM 617 C ALA A 39 5.291 9.244 -1.350 1.00 0.00 C ATOM 618 O ALA A 39 4.387 9.950 -0.906 1.00 0.00 O ATOM 619 CB ALA A 39 4.495 6.949 -1.928 1.00 0.00 C ATOM 0 H ALA A 39 6.531 7.039 -3.292 1.00 0.00 H new ATOM 0 HA ALA A 39 4.296 8.685 -3.156 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.575 7.140 -1.376 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.288 6.265 -2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.232 6.502 -1.261 1.00 0.00 H new ATOM 625 N VAL A 40 6.538 9.276 -0.887 1.00 0.00 N ATOM 626 CA VAL A 40 6.928 10.159 0.193 1.00 0.00 C ATOM 627 C VAL A 40 7.747 11.338 -0.329 1.00 0.00 C ATOM 628 O VAL A 40 7.306 12.486 -0.272 1.00 0.00 O ATOM 629 CB VAL A 40 7.744 9.382 1.251 1.00 0.00 C ATOM 630 CG1 VAL A 40 8.259 10.299 2.349 1.00 0.00 C ATOM 631 CG2 VAL A 40 6.911 8.254 1.838 1.00 0.00 C ATOM 0 H VAL A 40 7.294 8.695 -1.249 1.00 0.00 H new ATOM 0 HA VAL A 40 6.020 10.548 0.653 1.00 0.00 H new ATOM 0 HB VAL A 40 8.613 8.953 0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.828 9.716 3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.903 11.063 1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.416 10.777 2.849 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.499 7.716 2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.020 8.667 2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.616 7.568 1.044 1.00 0.00 H new ATOM 641 N ARG A 41 8.942 11.049 -0.836 1.00 0.00 N ATOM 642 CA ARG A 41 9.818 12.089 -1.368 1.00 0.00 C ATOM 643 C ARG A 41 10.188 13.102 -0.285 1.00 0.00 C ATOM 644 O ARG A 41 10.581 14.230 -0.583 1.00 0.00 O ATOM 645 CB ARG A 41 9.142 12.799 -2.544 1.00 0.00 C ATOM 646 CG ARG A 41 10.052 13.765 -3.292 1.00 0.00 C ATOM 647 CD ARG A 41 11.396 13.134 -3.620 1.00 0.00 C ATOM 648 NE ARG A 41 12.429 13.510 -2.655 1.00 0.00 N ATOM 649 CZ ARG A 41 13.019 14.703 -2.629 1.00 0.00 C ATOM 650 NH1 ARG A 41 12.684 15.636 -3.510 1.00 0.00 N ATOM 651 NH2 ARG A 41 13.948 14.962 -1.718 1.00 0.00 N ATOM 0 H ARG A 41 9.326 10.105 -0.890 1.00 0.00 H new ATOM 0 HA ARG A 41 10.735 11.614 -1.718 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.772 12.049 -3.243 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.274 13.346 -2.175 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.565 14.083 -4.214 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.208 14.659 -2.688 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.293 12.049 -3.636 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.705 13.439 -4.620 1.00 0.00 H new ATOM 0 HE ARG A 41 12.714 12.818 -1.962 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.971 15.441 -4.213 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.140 16.548 -3.485 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.209 14.247 -1.039 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.401 15.876 -1.697 1.00 0.00 H new ATOM 665 N ARG A 42 10.062 12.693 0.974 1.00 0.00 N ATOM 666 CA ARG A 42 10.382 13.564 2.099 1.00 0.00 C ATOM 667 C ARG A 42 11.664 13.091 2.790 1.00 0.00 C ATOM 668 O ARG A 42 12.502 12.437 2.169 1.00 0.00 O ATOM 669 CB ARG A 42 9.207 13.572 3.093 1.00 0.00 C ATOM 670 CG ARG A 42 8.985 14.900 3.818 1.00 0.00 C ATOM 671 CD ARG A 42 8.350 14.685 5.182 1.00 0.00 C ATOM 672 NE ARG A 42 7.226 13.753 5.127 1.00 0.00 N ATOM 673 CZ ARG A 42 6.558 13.334 6.200 1.00 0.00 C ATOM 674 NH1 ARG A 42 6.899 13.759 7.410 1.00 0.00 N ATOM 675 NH2 ARG A 42 5.548 12.486 6.064 1.00 0.00 N ATOM 0 H ARG A 42 9.740 11.763 1.240 1.00 0.00 H new ATOM 0 HA ARG A 42 10.546 14.577 1.733 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.295 13.311 2.557 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.374 12.793 3.836 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.938 15.416 3.935 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.346 15.544 3.214 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.101 14.305 5.875 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.007 15.642 5.576 1.00 0.00 H new ATOM 0 HE ARG A 42 6.936 13.403 4.214 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.676 14.410 7.522 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.384 13.435 8.228 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.282 12.154 5.137 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.037 12.166 6.886 1.00 0.00 H new ATOM 689 N LYS A 43 11.812 13.419 4.073 1.00 0.00 N ATOM 690 CA LYS A 43 12.991 13.017 4.834 1.00 0.00 C ATOM 691 C LYS A 43 13.162 11.500 4.806 1.00 0.00 C ATOM 692 O LYS A 43 12.491 10.806 4.040 1.00 0.00 O ATOM 693 CB LYS A 43 12.876 13.508 6.280 1.00 0.00 C ATOM 694 CG LYS A 43 13.792 14.679 6.600 1.00 0.00 C ATOM 695 CD LYS A 43 14.104 14.752 8.087 1.00 0.00 C ATOM 696 CE LYS A 43 14.319 16.187 8.543 1.00 0.00 C ATOM 697 NZ LYS A 43 13.152 16.706 9.309 1.00 0.00 N ATOM 0 H LYS A 43 11.131 13.961 4.605 1.00 0.00 H new ATOM 0 HA LYS A 43 13.869 13.470 4.373 1.00 0.00 H new ATOM 0 HB2 LYS A 43 11.844 13.801 6.474 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.106 12.683 6.954 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.720 14.581 6.037 1.00 0.00 H new ATOM 0 HG3 LYS A 43 13.321 15.609 6.280 1.00 0.00 H new ATOM 0 HD2 LYS A 43 13.285 14.308 8.654 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.996 14.164 8.302 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.214 16.241 9.163 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.495 16.822 7.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.337 17.687 9.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.303 16.679 8.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.000 16.116 10.152 1.00 0.00 H new ATOM 711 N ASN A 44 14.062 10.991 5.641 1.00 0.00 N ATOM 712 CA ASN A 44 14.316 9.556 5.706 1.00 0.00 C ATOM 713 C ASN A 44 13.110 8.811 6.282 1.00 0.00 C ATOM 714 O ASN A 44 13.170 8.301 7.399 1.00 0.00 O ATOM 715 CB ASN A 44 15.555 9.274 6.558 1.00 0.00 C ATOM 716 CG ASN A 44 16.819 9.849 5.948 1.00 0.00 C ATOM 717 OD1 ASN A 44 16.855 10.184 4.764 1.00 0.00 O ATOM 718 ND2 ASN A 44 17.867 9.964 6.757 1.00 0.00 N ATOM 0 H ASN A 44 14.627 11.549 6.281 1.00 0.00 H new ATOM 0 HA ASN A 44 14.490 9.199 4.691 1.00 0.00 H new ATOM 0 HB2 ASN A 44 15.411 9.694 7.553 1.00 0.00 H new ATOM 0 HB3 ASN A 44 15.671 8.197 6.680 1.00 0.00 H new ATOM 0 HD21 ASN A 44 18.746 10.342 6.403 1.00 0.00 H new ATOM 0 HD22 ASN A 44 17.793 9.674 7.732 1.00 0.00 H new ATOM 725 N PHE A 45 12.020 8.761 5.504 1.00 0.00 N ATOM 726 CA PHE A 45 10.777 8.085 5.900 1.00 0.00 C ATOM 727 C PHE A 45 11.010 6.958 6.907 1.00 0.00 C ATOM 728 O PHE A 45 11.120 5.790 6.536 1.00 0.00 O ATOM 729 CB PHE A 45 10.073 7.528 4.652 1.00 0.00 C ATOM 730 CG PHE A 45 10.936 6.621 3.800 1.00 0.00 C ATOM 731 CD1 PHE A 45 12.233 6.285 4.177 1.00 0.00 C ATOM 732 CD2 PHE A 45 10.440 6.108 2.611 1.00 0.00 C ATOM 733 CE1 PHE A 45 13.008 5.460 3.386 1.00 0.00 C ATOM 734 CE2 PHE A 45 11.214 5.281 1.818 1.00 0.00 C ATOM 735 CZ PHE A 45 12.498 4.957 2.207 1.00 0.00 C ATOM 0 H PHE A 45 11.975 9.190 4.579 1.00 0.00 H new ATOM 0 HA PHE A 45 10.149 8.828 6.391 1.00 0.00 H new ATOM 0 HB2 PHE A 45 9.187 6.977 4.965 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.730 8.362 4.040 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.638 6.674 5.099 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.436 6.358 2.300 1.00 0.00 H new ATOM 0 HE1 PHE A 45 14.013 5.209 3.690 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.814 4.889 0.895 1.00 0.00 H new ATOM 0 HZ PHE A 45 13.103 4.310 1.589 1.00 0.00 H new ATOM 745 N LYS A 46 11.079 7.322 8.183 1.00 0.00 N ATOM 746 CA LYS A 46 11.298 6.351 9.251 1.00 0.00 C ATOM 747 C LYS A 46 10.185 5.299 9.272 1.00 0.00 C ATOM 748 O LYS A 46 9.056 5.590 9.666 1.00 0.00 O ATOM 749 CB LYS A 46 11.369 7.067 10.604 1.00 0.00 C ATOM 750 CG LYS A 46 12.160 6.315 11.667 1.00 0.00 C ATOM 751 CD LYS A 46 13.626 6.722 11.669 1.00 0.00 C ATOM 752 CE LYS A 46 13.800 8.175 12.079 1.00 0.00 C ATOM 753 NZ LYS A 46 12.993 8.513 13.284 1.00 0.00 N ATOM 0 H LYS A 46 10.986 8.286 8.504 1.00 0.00 H new ATOM 0 HA LYS A 46 12.244 5.843 9.063 1.00 0.00 H new ATOM 0 HB2 LYS A 46 11.819 8.049 10.460 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.355 7.231 10.969 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.727 6.509 12.648 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.080 5.243 11.490 1.00 0.00 H new ATOM 0 HD2 LYS A 46 14.182 6.081 12.353 1.00 0.00 H new ATOM 0 HD3 LYS A 46 14.048 6.570 10.676 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.853 8.372 12.281 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.507 8.823 11.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.334 9.407 13.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.993 8.614 13.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.087 7.754 13.989 1.00 0.00 H new ATOM 767 N PRO A 47 10.487 4.062 8.830 1.00 0.00 N ATOM 768 CA PRO A 47 9.513 2.953 8.775 1.00 0.00 C ATOM 769 C PRO A 47 8.845 2.621 10.112 1.00 0.00 C ATOM 770 O PRO A 47 8.024 1.708 10.186 1.00 0.00 O ATOM 771 CB PRO A 47 10.367 1.775 8.310 1.00 0.00 C ATOM 772 CG PRO A 47 11.397 2.430 7.493 1.00 0.00 C ATOM 773 CD PRO A 47 11.797 3.627 8.314 1.00 0.00 C ATOM 0 HA PRO A 47 8.675 3.207 8.126 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.800 1.232 9.150 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.786 1.057 7.731 1.00 0.00 H new ATOM 0 HG2 PRO A 47 12.244 1.768 7.311 1.00 0.00 H new ATOM 0 HG3 PRO A 47 11.007 2.725 6.519 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.490 3.366 9.114 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.280 4.397 7.713 1.00 0.00 H new ATOM 781 N THR A 48 9.201 3.344 11.167 1.00 0.00 N ATOM 782 CA THR A 48 8.630 3.092 12.487 1.00 0.00 C ATOM 783 C THR A 48 7.111 3.251 12.459 1.00 0.00 C ATOM 784 O THR A 48 6.378 2.288 12.686 1.00 0.00 O ATOM 785 CB THR A 48 9.248 4.045 13.522 1.00 0.00 C ATOM 786 OG1 THR A 48 8.585 3.931 14.769 1.00 0.00 O ATOM 787 CG2 THR A 48 9.187 5.497 13.101 1.00 0.00 C ATOM 0 H THR A 48 9.879 4.106 11.136 1.00 0.00 H new ATOM 0 HA THR A 48 8.860 2.065 12.772 1.00 0.00 H new ATOM 0 HB THR A 48 10.293 3.748 13.604 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.994 4.544 15.414 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.639 6.119 13.874 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.731 5.628 12.165 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.147 5.792 12.960 1.00 0.00 H new ATOM 795 N LYS A 49 6.638 4.456 12.159 1.00 0.00 N ATOM 796 CA LYS A 49 5.208 4.711 12.079 1.00 0.00 C ATOM 797 C LYS A 49 4.836 5.232 10.682 1.00 0.00 C ATOM 798 O LYS A 49 3.679 5.148 10.272 1.00 0.00 O ATOM 799 CB LYS A 49 4.762 5.664 13.193 1.00 0.00 C ATOM 800 CG LYS A 49 4.491 7.093 12.761 1.00 0.00 C ATOM 801 CD LYS A 49 4.715 8.071 13.905 1.00 0.00 C ATOM 802 CE LYS A 49 5.903 8.985 13.645 1.00 0.00 C ATOM 803 NZ LYS A 49 6.990 8.298 12.893 1.00 0.00 N ATOM 0 H LYS A 49 7.224 5.269 11.968 1.00 0.00 H new ATOM 0 HA LYS A 49 4.672 3.774 12.231 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.857 5.263 13.649 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.530 5.676 13.966 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.142 7.352 11.926 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.465 7.178 12.403 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.818 8.673 14.049 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.878 7.517 14.829 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.571 9.858 13.083 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.295 9.348 14.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.903 8.740 13.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.016 7.293 13.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.811 8.380 11.872 1.00 0.00 H new ATOM 817 N TYR A 50 5.833 5.753 9.945 1.00 0.00 N ATOM 818 CA TYR A 50 5.603 6.257 8.592 1.00 0.00 C ATOM 819 C TYR A 50 5.479 5.104 7.593 1.00 0.00 C ATOM 820 O TYR A 50 4.882 5.274 6.532 1.00 0.00 O ATOM 821 CB TYR A 50 6.723 7.208 8.136 1.00 0.00 C ATOM 822 CG TYR A 50 6.657 8.589 8.751 1.00 0.00 C ATOM 823 CD1 TYR A 50 5.533 9.391 8.585 1.00 0.00 C ATOM 824 CD2 TYR A 50 7.720 9.092 9.494 1.00 0.00 C ATOM 825 CE1 TYR A 50 5.470 10.653 9.141 1.00 0.00 C ATOM 826 CE2 TYR A 50 7.662 10.353 10.056 1.00 0.00 C ATOM 827 CZ TYR A 50 6.535 11.129 9.878 1.00 0.00 C ATOM 828 OH TYR A 50 6.474 12.385 10.435 1.00 0.00 O ATOM 0 H TYR A 50 6.798 5.833 10.267 1.00 0.00 H new ATOM 0 HA TYR A 50 4.667 6.815 8.620 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.686 6.760 8.381 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.683 7.304 7.051 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.696 9.021 8.012 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.604 8.488 9.634 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.591 11.265 9.000 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.495 10.729 10.632 1.00 0.00 H new ATOM 0 HH TYR A 50 7.304 12.567 10.923 1.00 0.00 H new ATOM 838 N SER A 51 6.056 3.937 7.925 1.00 0.00 N ATOM 839 CA SER A 51 6.005 2.774 7.036 1.00 0.00 C ATOM 840 C SER A 51 4.569 2.416 6.641 1.00 0.00 C ATOM 841 O SER A 51 4.034 1.395 7.074 1.00 0.00 O ATOM 842 CB SER A 51 6.666 1.568 7.710 1.00 0.00 C ATOM 843 OG SER A 51 6.245 0.350 7.120 1.00 0.00 O ATOM 0 H SER A 51 6.559 3.778 8.798 1.00 0.00 H new ATOM 0 HA SER A 51 6.547 3.036 6.127 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.750 1.655 7.633 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.421 1.563 8.772 1.00 0.00 H new ATOM 0 HG SER A 51 5.297 0.201 7.318 1.00 0.00 H new ATOM 849 N SER A 52 3.953 3.246 5.805 1.00 0.00 N ATOM 850 CA SER A 52 2.592 2.997 5.343 1.00 0.00 C ATOM 851 C SER A 52 2.156 4.037 4.323 1.00 0.00 C ATOM 852 O SER A 52 2.677 5.148 4.287 1.00 0.00 O ATOM 853 CB SER A 52 1.609 2.966 6.512 1.00 0.00 C ATOM 854 OG SER A 52 1.560 4.220 7.172 1.00 0.00 O ATOM 0 H SER A 52 4.375 4.097 5.434 1.00 0.00 H new ATOM 0 HA SER A 52 2.589 2.019 4.861 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.615 2.704 6.149 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.905 2.191 7.219 1.00 0.00 H new ATOM 0 HG SER A 52 0.922 4.174 7.915 1.00 0.00 H new ATOM 860 N ILE A 53 1.208 3.653 3.485 1.00 0.00 N ATOM 861 CA ILE A 53 0.702 4.525 2.446 1.00 0.00 C ATOM 862 C ILE A 53 -0.819 4.413 2.387 1.00 0.00 C ATOM 863 O ILE A 53 -1.378 3.395 2.799 1.00 0.00 O ATOM 864 CB ILE A 53 1.293 4.092 1.088 1.00 0.00 C ATOM 865 CG1 ILE A 53 2.819 3.887 1.182 1.00 0.00 C ATOM 866 CG2 ILE A 53 0.935 5.064 -0.037 1.00 0.00 C ATOM 867 CD1 ILE A 53 3.643 5.157 1.201 1.00 0.00 C ATOM 0 H ILE A 53 0.771 2.732 3.508 1.00 0.00 H new ATOM 0 HA ILE A 53 0.986 5.555 2.663 1.00 0.00 H new ATOM 0 HB ILE A 53 0.838 3.134 0.837 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.037 3.318 2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.140 3.278 0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.374 4.716 -0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.149 5.116 -0.142 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.324 6.054 0.200 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.701 4.903 1.269 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.463 5.721 0.286 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.359 5.762 2.062 1.00 0.00 H new ATOM 879 N CYS A 54 -1.497 5.438 1.877 1.00 0.00 N ATOM 880 CA CYS A 54 -2.948 5.391 1.789 1.00 0.00 C ATOM 881 C CYS A 54 -3.383 5.249 0.319 1.00 0.00 C ATOM 882 O CYS A 54 -2.640 5.623 -0.589 1.00 0.00 O ATOM 883 CB CYS A 54 -3.561 6.613 2.483 1.00 0.00 C ATOM 884 SG CYS A 54 -3.810 8.052 1.435 1.00 0.00 S ATOM 0 H CYS A 54 -1.072 6.296 1.525 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.323 4.513 2.315 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.522 6.324 2.908 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.917 6.898 3.315 1.00 0.00 H new ATOM 889 N SER A 55 -4.557 4.652 0.086 1.00 0.00 N ATOM 890 CA SER A 55 -5.046 4.398 -1.270 1.00 0.00 C ATOM 891 C SER A 55 -5.060 5.639 -2.172 1.00 0.00 C ATOM 892 O SER A 55 -4.862 5.527 -3.380 1.00 0.00 O ATOM 893 CB SER A 55 -6.453 3.802 -1.213 1.00 0.00 C ATOM 894 OG SER A 55 -6.721 3.245 0.062 1.00 0.00 O ATOM 0 H SER A 55 -5.187 4.335 0.823 1.00 0.00 H new ATOM 0 HA SER A 55 -4.341 3.696 -1.715 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.188 4.575 -1.437 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.556 3.033 -1.978 1.00 0.00 H new ATOM 0 HG SER A 55 -5.892 2.888 0.444 1.00 0.00 H new ATOM 900 N GLU A 56 -5.333 6.805 -1.601 1.00 0.00 N ATOM 901 CA GLU A 56 -5.414 8.038 -2.350 1.00 0.00 C ATOM 902 C GLU A 56 -4.301 8.205 -3.394 1.00 0.00 C ATOM 903 O GLU A 56 -4.483 8.911 -4.385 1.00 0.00 O ATOM 904 CB GLU A 56 -5.404 9.199 -1.370 1.00 0.00 C ATOM 905 CG GLU A 56 -6.527 9.127 -0.360 1.00 0.00 C ATOM 906 CD GLU A 56 -6.992 10.496 0.095 1.00 0.00 C ATOM 907 OE1 GLU A 56 -6.260 11.143 0.874 1.00 0.00 O ATOM 908 OE2 GLU A 56 -8.087 10.921 -0.327 1.00 0.00 O ATOM 0 H GLU A 56 -5.504 6.915 -0.602 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.343 8.015 -2.920 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.450 9.215 -0.844 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.479 10.135 -1.923 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.368 8.588 -0.796 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.195 8.554 0.506 1.00 0.00 H new ATOM 915 N HIS A 57 -3.149 7.581 -3.164 1.00 0.00 N ATOM 916 CA HIS A 57 -2.020 7.701 -4.094 1.00 0.00 C ATOM 917 C HIS A 57 -1.871 6.464 -4.973 1.00 0.00 C ATOM 918 O HIS A 57 -1.074 6.457 -5.911 1.00 0.00 O ATOM 919 CB HIS A 57 -0.724 7.946 -3.305 1.00 0.00 C ATOM 920 CG HIS A 57 -0.934 8.821 -2.122 1.00 0.00 C ATOM 921 ND1 HIS A 57 -1.476 10.086 -2.194 1.00 0.00 N ATOM 922 CD2 HIS A 57 -0.729 8.566 -0.820 1.00 0.00 C ATOM 923 CE1 HIS A 57 -1.599 10.571 -0.965 1.00 0.00 C ATOM 924 NE2 HIS A 57 -1.153 9.660 -0.108 1.00 0.00 N ATOM 0 H HIS A 57 -2.969 6.992 -2.351 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.218 8.547 -4.752 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.316 6.990 -2.978 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.017 8.401 -3.962 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -1.740 10.570 -3.052 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.306 7.662 -0.407 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.995 11.542 -0.706 1.00 0.00 H new ATOM 932 N PHE A 58 -2.636 5.424 -4.675 1.00 0.00 N ATOM 933 CA PHE A 58 -2.573 4.195 -5.449 1.00 0.00 C ATOM 934 C PHE A 58 -3.620 4.197 -6.561 1.00 0.00 C ATOM 935 O PHE A 58 -4.652 4.859 -6.450 1.00 0.00 O ATOM 936 CB PHE A 58 -2.787 2.990 -4.536 1.00 0.00 C ATOM 937 CG PHE A 58 -1.542 2.596 -3.803 1.00 0.00 C ATOM 938 CD1 PHE A 58 -0.553 1.878 -4.448 1.00 0.00 C ATOM 939 CD2 PHE A 58 -1.353 2.958 -2.480 1.00 0.00 C ATOM 940 CE1 PHE A 58 0.604 1.524 -3.787 1.00 0.00 C ATOM 941 CE2 PHE A 58 -0.198 2.611 -1.817 1.00 0.00 C ATOM 942 CZ PHE A 58 0.781 1.893 -2.470 1.00 0.00 C ATOM 0 H PHE A 58 -3.305 5.407 -3.905 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.586 4.130 -5.906 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.572 3.220 -3.815 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.137 2.146 -5.130 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.688 1.591 -5.480 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.119 3.518 -1.964 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.369 0.960 -4.299 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.059 2.901 -0.786 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.687 1.619 -1.950 1.00 0.00 H new ATOM 952 N THR A 59 -3.358 3.447 -7.629 1.00 0.00 N ATOM 953 CA THR A 59 -4.293 3.364 -8.748 1.00 0.00 C ATOM 954 C THR A 59 -5.313 2.252 -8.517 1.00 0.00 C ATOM 955 O THR A 59 -4.987 1.194 -7.978 1.00 0.00 O ATOM 956 CB THR A 59 -3.560 3.111 -10.074 1.00 0.00 C ATOM 957 OG1 THR A 59 -2.584 2.094 -9.920 1.00 0.00 O ATOM 958 CG2 THR A 59 -2.863 4.331 -10.653 1.00 0.00 C ATOM 0 H THR A 59 -2.511 2.891 -7.743 1.00 0.00 H new ATOM 0 HA THR A 59 -4.808 4.323 -8.810 1.00 0.00 H new ATOM 0 HB THR A 59 -4.347 2.817 -10.768 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.129 1.945 -10.775 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.372 4.060 -11.588 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.597 5.114 -10.842 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.119 4.695 -9.945 1.00 0.00 H new ATOM 966 N PRO A 60 -6.564 2.485 -8.938 1.00 0.00 N ATOM 967 CA PRO A 60 -7.654 1.509 -8.798 1.00 0.00 C ATOM 968 C PRO A 60 -7.270 0.142 -9.347 1.00 0.00 C ATOM 969 O PRO A 60 -7.614 -0.891 -8.773 1.00 0.00 O ATOM 970 CB PRO A 60 -8.772 2.121 -9.646 1.00 0.00 C ATOM 971 CG PRO A 60 -8.503 3.572 -9.609 1.00 0.00 C ATOM 972 CD PRO A 60 -7.014 3.719 -9.599 1.00 0.00 C ATOM 0 HA PRO A 60 -7.926 1.338 -7.756 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.752 1.738 -10.666 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.755 1.888 -9.237 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.938 4.071 -10.475 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.945 4.028 -8.723 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.610 3.807 -10.608 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.700 4.608 -9.052 1.00 0.00 H new ATOM 980 N ASP A 61 -6.559 0.149 -10.468 1.00 0.00 N ATOM 981 CA ASP A 61 -6.127 -1.087 -11.110 1.00 0.00 C ATOM 982 C ASP A 61 -5.167 -1.867 -10.221 1.00 0.00 C ATOM 983 O ASP A 61 -5.066 -3.090 -10.320 1.00 0.00 O ATOM 984 CB ASP A 61 -5.464 -0.783 -12.455 1.00 0.00 C ATOM 985 CG ASP A 61 -5.107 -2.041 -13.221 1.00 0.00 C ATOM 986 OD1 ASP A 61 -4.260 -2.816 -12.729 1.00 0.00 O ATOM 987 OD2 ASP A 61 -5.674 -2.251 -14.314 1.00 0.00 O ATOM 0 H ASP A 61 -6.269 0.998 -10.952 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.011 -1.702 -11.277 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.136 -0.172 -13.058 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.562 -0.195 -12.287 1.00 0.00 H new ATOM 992 N CYS A 62 -4.461 -1.151 -9.356 1.00 0.00 N ATOM 993 CA CYS A 62 -3.505 -1.769 -8.451 1.00 0.00 C ATOM 994 C CYS A 62 -4.208 -2.467 -7.281 1.00 0.00 C ATOM 995 O CYS A 62 -3.556 -3.101 -6.451 1.00 0.00 O ATOM 996 CB CYS A 62 -2.509 -0.708 -7.955 1.00 0.00 C ATOM 997 SG CYS A 62 -2.654 -0.266 -6.203 1.00 0.00 S ATOM 0 H CYS A 62 -4.534 -0.138 -9.263 1.00 0.00 H new ATOM 0 HA CYS A 62 -2.958 -2.540 -8.993 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.497 -1.070 -8.139 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.638 0.195 -8.552 1.00 0.00 H new ATOM 0 HG CYS A 62 -3.884 -0.429 -5.815 1.00 0.00 H new ATOM 1003 N PHE A 63 -5.534 -2.351 -7.218 1.00 0.00 N ATOM 1004 CA PHE A 63 -6.305 -2.975 -6.147 1.00 0.00 C ATOM 1005 C PHE A 63 -7.145 -4.129 -6.688 1.00 0.00 C ATOM 1006 O PHE A 63 -8.328 -4.253 -6.371 1.00 0.00 O ATOM 1007 CB PHE A 63 -7.211 -1.940 -5.472 1.00 0.00 C ATOM 1008 CG PHE A 63 -6.539 -1.154 -4.375 1.00 0.00 C ATOM 1009 CD1 PHE A 63 -5.156 -1.124 -4.260 1.00 0.00 C ATOM 1010 CD2 PHE A 63 -7.297 -0.441 -3.460 1.00 0.00 C ATOM 1011 CE1 PHE A 63 -4.546 -0.399 -3.254 1.00 0.00 C ATOM 1012 CE2 PHE A 63 -6.691 0.285 -2.453 1.00 0.00 C ATOM 1013 CZ PHE A 63 -5.315 0.307 -2.350 1.00 0.00 C ATOM 0 H PHE A 63 -6.094 -1.832 -7.894 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.606 -3.370 -5.410 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.578 -1.246 -6.228 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.081 -2.450 -5.058 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.550 -1.674 -4.965 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.374 -0.453 -3.535 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.469 -0.385 -3.175 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.294 0.835 -1.746 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.840 0.875 -1.564 1.00 0.00 H new ATOM 1023 N LYS A 64 -6.525 -4.968 -7.512 1.00 0.00 N ATOM 1024 CA LYS A 64 -7.214 -6.112 -8.104 1.00 0.00 C ATOM 1025 C LYS A 64 -7.805 -7.018 -7.029 1.00 0.00 C ATOM 1026 O LYS A 64 -8.811 -7.690 -7.256 1.00 0.00 O ATOM 1027 CB LYS A 64 -6.254 -6.910 -8.987 1.00 0.00 C ATOM 1028 CG LYS A 64 -4.899 -7.159 -8.342 1.00 0.00 C ATOM 1029 CD LYS A 64 -4.544 -8.638 -8.341 1.00 0.00 C ATOM 1030 CE LYS A 64 -3.411 -8.937 -7.372 1.00 0.00 C ATOM 1031 NZ LYS A 64 -3.259 -10.397 -7.129 1.00 0.00 N ATOM 0 H LYS A 64 -5.547 -4.878 -7.786 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.031 -5.730 -8.716 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.711 -7.868 -9.233 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.108 -6.376 -9.926 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.132 -6.600 -8.878 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.908 -6.786 -7.318 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.422 -9.224 -8.069 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.255 -8.945 -9.346 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.478 -8.536 -7.769 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.599 -8.429 -6.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.105 -10.566 -6.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.121 -10.891 -7.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.445 -10.756 -7.667 1.00 0.00 H new ATOM 1045 N ARG A 65 -7.177 -7.034 -5.856 1.00 0.00 N ATOM 1046 CA ARG A 65 -7.649 -7.862 -4.750 1.00 0.00 C ATOM 1047 C ARG A 65 -8.284 -7.005 -3.660 1.00 0.00 C ATOM 1048 O ARG A 65 -7.873 -5.868 -3.433 1.00 0.00 O ATOM 1049 CB ARG A 65 -6.497 -8.681 -4.165 1.00 0.00 C ATOM 1050 CG ARG A 65 -5.948 -9.724 -5.126 1.00 0.00 C ATOM 1051 CD ARG A 65 -6.974 -10.811 -5.417 1.00 0.00 C ATOM 1052 NE ARG A 65 -6.481 -12.138 -5.056 1.00 0.00 N ATOM 1053 CZ ARG A 65 -7.269 -13.192 -4.853 1.00 0.00 C ATOM 1054 NH1 ARG A 65 -8.586 -13.077 -4.972 1.00 0.00 N ATOM 1055 NH2 ARG A 65 -6.739 -14.363 -4.528 1.00 0.00 N ATOM 0 H ARG A 65 -6.343 -6.485 -5.647 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.406 -8.543 -5.139 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.692 -8.006 -3.875 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.839 -9.178 -3.257 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -5.653 -9.242 -6.058 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.050 -10.174 -4.702 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.890 -10.602 -4.865 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -7.229 -10.795 -6.477 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.474 -12.265 -4.953 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.999 -12.178 -5.220 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.185 -13.888 -4.815 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.728 -14.456 -4.433 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.343 -15.170 -4.372 1.00 0.00 H new ATOM 1069 N GLU A 66 -9.289 -7.561 -2.991 1.00 0.00 N ATOM 1070 CA GLU A 66 -9.984 -6.850 -1.923 1.00 0.00 C ATOM 1071 C GLU A 66 -9.778 -7.548 -0.583 1.00 0.00 C ATOM 1072 O GLU A 66 -10.007 -8.751 -0.456 1.00 0.00 O ATOM 1073 CB GLU A 66 -11.478 -6.753 -2.236 1.00 0.00 C ATOM 1074 CG GLU A 66 -12.181 -5.621 -1.504 1.00 0.00 C ATOM 1075 CD GLU A 66 -11.522 -4.277 -1.740 1.00 0.00 C ATOM 1076 OE1 GLU A 66 -11.051 -4.037 -2.872 1.00 0.00 O ATOM 1077 OE2 GLU A 66 -11.476 -3.463 -0.794 1.00 0.00 O ATOM 0 H GLU A 66 -9.641 -8.502 -3.169 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.567 -5.845 -1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.608 -6.616 -3.310 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.957 -7.696 -1.975 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.221 -5.574 -1.828 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.190 -5.835 -0.435 1.00 0.00 H new ATOM 1084 N CYS A 67 -9.340 -6.786 0.415 1.00 0.00 N ATOM 1085 CA CYS A 67 -9.102 -7.333 1.746 1.00 0.00 C ATOM 1086 C CYS A 67 -9.100 -6.226 2.797 1.00 0.00 C ATOM 1087 O CYS A 67 -9.387 -5.068 2.493 1.00 0.00 O ATOM 1088 CB CYS A 67 -7.771 -8.087 1.777 1.00 0.00 C ATOM 1089 SG CYS A 67 -7.810 -9.618 2.738 1.00 0.00 S ATOM 0 H CYS A 67 -9.143 -5.789 0.327 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.910 -8.026 1.979 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.474 -8.320 0.754 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -7.004 -7.431 2.190 1.00 0.00 H new ATOM 0 HG CYS A 67 -6.640 -10.183 2.702 1.00 0.00 H new ATOM 1095 N ASN A 68 -8.776 -6.589 4.034 1.00 0.00 N ATOM 1096 CA ASN A 68 -8.736 -5.630 5.130 1.00 0.00 C ATOM 1097 C ASN A 68 -7.754 -4.500 4.829 1.00 0.00 C ATOM 1098 O ASN A 68 -8.154 -3.351 4.639 1.00 0.00 O ATOM 1099 CB ASN A 68 -8.341 -6.337 6.429 1.00 0.00 C ATOM 1100 CG ASN A 68 -8.308 -5.395 7.617 1.00 0.00 C ATOM 1101 OD1 ASN A 68 -9.084 -4.441 7.691 1.00 0.00 O ATOM 1102 ND2 ASN A 68 -7.406 -5.657 8.556 1.00 0.00 N ATOM 0 H ASN A 68 -8.537 -7.544 4.302 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.730 -5.198 5.245 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.046 -7.144 6.629 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.360 -6.795 6.305 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.337 -5.057 9.378 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -6.783 -6.458 8.455 1.00 0.00 H new ATOM 1109 N ASN A 69 -6.469 -4.835 4.788 1.00 0.00 N ATOM 1110 CA ASN A 69 -5.431 -3.849 4.510 1.00 0.00 C ATOM 1111 C ASN A 69 -4.184 -4.517 3.938 1.00 0.00 C ATOM 1112 O ASN A 69 -3.060 -4.191 4.320 1.00 0.00 O ATOM 1113 CB ASN A 69 -5.075 -3.080 5.785 1.00 0.00 C ATOM 1114 CG ASN A 69 -4.516 -3.982 6.868 1.00 0.00 C ATOM 1115 OD1 ASN A 69 -4.394 -5.193 6.682 1.00 0.00 O ATOM 1116 ND2 ASN A 69 -4.175 -3.395 8.009 1.00 0.00 N ATOM 0 H ASN A 69 -6.121 -5.781 4.944 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.817 -3.150 3.768 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.345 -2.307 5.547 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.964 -2.574 6.161 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.795 -3.951 8.775 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.293 -2.388 8.120 1.00 0.00 H new ATOM 1123 N LYS A 70 -4.392 -5.455 3.019 1.00 0.00 N ATOM 1124 CA LYS A 70 -3.286 -6.170 2.394 1.00 0.00 C ATOM 1125 C LYS A 70 -3.448 -6.201 0.876 1.00 0.00 C ATOM 1126 O LYS A 70 -3.445 -7.267 0.262 1.00 0.00 O ATOM 1127 CB LYS A 70 -3.202 -7.597 2.942 1.00 0.00 C ATOM 1128 CG LYS A 70 -1.915 -8.317 2.571 1.00 0.00 C ATOM 1129 CD LYS A 70 -0.949 -8.374 3.744 1.00 0.00 C ATOM 1130 CE LYS A 70 -0.093 -9.630 3.703 1.00 0.00 C ATOM 1131 NZ LYS A 70 0.867 -9.611 2.565 1.00 0.00 N ATOM 0 H LYS A 70 -5.316 -5.737 2.691 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.362 -5.643 2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.291 -7.566 4.028 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.050 -8.171 2.569 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.146 -9.329 2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.441 -7.807 1.732 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.306 -7.494 3.730 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.509 -8.345 4.679 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.456 -9.726 4.640 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.737 -10.506 3.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.432 -10.484 2.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.342 -9.545 1.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.499 -8.790 2.657 1.00 0.00 H new ATOM 1145 N LEU A 71 -3.587 -5.022 0.275 1.00 0.00 N ATOM 1146 CA LEU A 71 -3.749 -4.917 -1.172 1.00 0.00 C ATOM 1147 C LEU A 71 -2.686 -4.005 -1.778 1.00 0.00 C ATOM 1148 O LEU A 71 -2.860 -2.787 -1.841 1.00 0.00 O ATOM 1149 CB LEU A 71 -5.145 -4.393 -1.520 1.00 0.00 C ATOM 1150 CG LEU A 71 -6.270 -4.882 -0.607 1.00 0.00 C ATOM 1151 CD1 LEU A 71 -7.542 -4.086 -0.856 1.00 0.00 C ATOM 1152 CD2 LEU A 71 -6.517 -6.371 -0.810 1.00 0.00 C ATOM 0 H LEU A 71 -3.591 -4.128 0.766 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.629 -5.915 -1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.124 -3.304 -1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.379 -4.682 -2.545 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.966 -4.726 0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.332 -4.447 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.356 -3.031 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.850 -4.208 -1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.321 -6.700 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.799 -6.555 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.608 -6.926 -0.577 1.00 0.00 H new ATOM 1164 N LEU A 72 -1.591 -4.605 -2.230 1.00 0.00 N ATOM 1165 CA LEU A 72 -0.499 -3.863 -2.842 1.00 0.00 C ATOM 1166 C LEU A 72 0.496 -4.825 -3.490 1.00 0.00 C ATOM 1167 O LEU A 72 1.682 -4.833 -3.157 1.00 0.00 O ATOM 1168 CB LEU A 72 0.205 -2.986 -1.803 1.00 0.00 C ATOM 1169 CG LEU A 72 0.997 -3.752 -0.736 1.00 0.00 C ATOM 1170 CD1 LEU A 72 2.424 -3.227 -0.646 1.00 0.00 C ATOM 1171 CD2 LEU A 72 0.305 -3.659 0.618 1.00 0.00 C ATOM 0 H LEU A 72 -1.437 -5.612 -2.183 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.912 -3.214 -3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.884 -2.309 -2.321 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.542 -2.368 -1.305 1.00 0.00 H new ATOM 0 HG LEU A 72 1.036 -4.801 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.969 -3.783 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.919 -3.351 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.407 -2.170 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.883 -4.209 1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.231 -2.614 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.695 -4.088 0.546 1.00 0.00 H new ATOM 1183 N LYS A 73 -0.007 -5.640 -4.412 1.00 0.00 N ATOM 1184 CA LYS A 73 0.813 -6.623 -5.114 1.00 0.00 C ATOM 1185 C LYS A 73 1.813 -5.961 -6.051 1.00 0.00 C ATOM 1186 O LYS A 73 1.915 -4.736 -6.116 1.00 0.00 O ATOM 1187 CB LYS A 73 -0.083 -7.578 -5.903 1.00 0.00 C ATOM 1188 CG LYS A 73 -1.120 -8.287 -5.045 1.00 0.00 C ATOM 1189 CD LYS A 73 -0.484 -8.974 -3.848 1.00 0.00 C ATOM 1190 CE LYS A 73 -1.536 -9.493 -2.880 1.00 0.00 C ATOM 1191 NZ LYS A 73 -1.141 -9.273 -1.461 1.00 0.00 N ATOM 0 H LYS A 73 -0.988 -5.639 -4.693 1.00 0.00 H new ATOM 0 HA LYS A 73 1.377 -7.179 -4.365 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.593 -7.020 -6.688 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.540 -8.324 -6.396 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.861 -7.566 -4.700 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.650 -9.024 -5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.137 -9.802 -4.190 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.173 -8.274 -3.332 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.486 -8.994 -3.074 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.694 -10.558 -3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.884 -9.640 -0.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.248 -9.770 -1.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.015 -8.255 -1.290 1.00 0.00 H new ATOM 1205 N GLU A 74 2.553 -6.797 -6.771 1.00 0.00 N ATOM 1206 CA GLU A 74 3.566 -6.333 -7.718 1.00 0.00 C ATOM 1207 C GLU A 74 3.052 -5.176 -8.570 1.00 0.00 C ATOM 1208 O GLU A 74 3.822 -4.326 -9.010 1.00 0.00 O ATOM 1209 CB GLU A 74 4.013 -7.486 -8.620 1.00 0.00 C ATOM 1210 CG GLU A 74 5.080 -7.095 -9.630 1.00 0.00 C ATOM 1211 CD GLU A 74 5.151 -8.051 -10.803 1.00 0.00 C ATOM 1212 OE1 GLU A 74 4.177 -8.804 -11.016 1.00 0.00 O ATOM 1213 OE2 GLU A 74 6.180 -8.048 -11.511 1.00 0.00 O ATOM 0 H GLU A 74 2.470 -7.812 -6.717 1.00 0.00 H new ATOM 0 HA GLU A 74 4.417 -5.972 -7.141 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.394 -8.296 -7.998 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.146 -7.875 -9.153 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.876 -6.089 -9.998 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.050 -7.062 -9.134 1.00 0.00 H new ATOM 1220 N ASN A 75 1.749 -5.150 -8.792 1.00 0.00 N ATOM 1221 CA ASN A 75 1.132 -4.091 -9.583 1.00 0.00 C ATOM 1222 C ASN A 75 1.182 -2.772 -8.829 1.00 0.00 C ATOM 1223 O ASN A 75 1.456 -1.718 -9.402 1.00 0.00 O ATOM 1224 CB ASN A 75 -0.319 -4.447 -9.900 1.00 0.00 C ATOM 1225 CG ASN A 75 -0.432 -5.629 -10.843 1.00 0.00 C ATOM 1226 OD1 ASN A 75 0.160 -5.635 -11.922 1.00 0.00 O ATOM 1227 ND2 ASN A 75 -1.196 -6.637 -10.439 1.00 0.00 N ATOM 0 H ASN A 75 1.095 -5.848 -8.437 1.00 0.00 H new ATOM 0 HA ASN A 75 1.687 -3.988 -10.516 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.845 -4.674 -8.973 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -0.813 -3.583 -10.344 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -1.311 -7.459 -11.031 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -1.668 -6.589 -9.536 1.00 0.00 H new ATOM 1234 N ALA A 76 0.894 -2.860 -7.541 1.00 0.00 N ATOM 1235 CA ALA A 76 0.872 -1.711 -6.647 1.00 0.00 C ATOM 1236 C ALA A 76 1.907 -0.659 -7.002 1.00 0.00 C ATOM 1237 O ALA A 76 3.043 -0.978 -7.349 1.00 0.00 O ATOM 1238 CB ALA A 76 1.049 -2.166 -5.209 1.00 0.00 C ATOM 0 H ALA A 76 0.666 -3.741 -7.080 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.102 -1.237 -6.766 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.031 -1.299 -4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.239 -2.844 -4.940 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.004 -2.682 -5.105 1.00 0.00 H new ATOM 1244 N VAL A 77 1.483 0.599 -6.914 1.00 0.00 N ATOM 1245 CA VAL A 77 2.332 1.735 -7.228 1.00 0.00 C ATOM 1246 C VAL A 77 1.617 3.046 -6.858 1.00 0.00 C ATOM 1247 O VAL A 77 0.422 3.196 -7.117 1.00 0.00 O ATOM 1248 CB VAL A 77 2.670 1.729 -8.736 1.00 0.00 C ATOM 1249 CG1 VAL A 77 2.985 3.126 -9.253 1.00 0.00 C ATOM 1250 CG2 VAL A 77 3.823 0.784 -9.030 1.00 0.00 C ATOM 0 H VAL A 77 0.540 0.855 -6.622 1.00 0.00 H new ATOM 0 HA VAL A 77 3.254 1.661 -6.652 1.00 0.00 H new ATOM 0 HB VAL A 77 1.784 1.374 -9.261 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.217 3.077 -10.317 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.122 3.774 -9.100 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.842 3.529 -8.713 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.042 0.798 -10.098 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.705 1.103 -8.475 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.550 -0.227 -8.728 1.00 0.00 H new ATOM 1260 N PRO A 78 2.330 4.014 -6.249 1.00 0.00 N ATOM 1261 CA PRO A 78 1.761 5.299 -5.849 1.00 0.00 C ATOM 1262 C PRO A 78 1.906 6.379 -6.923 1.00 0.00 C ATOM 1263 O PRO A 78 2.105 7.551 -6.607 1.00 0.00 O ATOM 1264 CB PRO A 78 2.597 5.653 -4.638 1.00 0.00 C ATOM 1265 CG PRO A 78 3.951 5.100 -4.940 1.00 0.00 C ATOM 1266 CD PRO A 78 3.754 3.937 -5.888 1.00 0.00 C ATOM 0 HA PRO A 78 0.688 5.237 -5.667 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.635 6.731 -4.484 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.184 5.215 -3.729 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.587 5.862 -5.391 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.446 4.773 -4.026 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.394 4.024 -6.766 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.995 2.987 -5.411 1.00 0.00 H new ATOM 1274 N THR A 79 1.826 5.956 -8.185 1.00 0.00 N ATOM 1275 CA THR A 79 1.959 6.838 -9.359 1.00 0.00 C ATOM 1276 C THR A 79 1.839 8.336 -9.046 1.00 0.00 C ATOM 1277 O THR A 79 2.642 9.133 -9.529 1.00 0.00 O ATOM 1278 CB THR A 79 0.908 6.462 -10.408 1.00 0.00 C ATOM 1279 OG1 THR A 79 0.973 5.082 -10.716 1.00 0.00 O ATOM 1280 CG2 THR A 79 1.059 7.229 -11.704 1.00 0.00 C ATOM 0 H THR A 79 1.665 4.979 -8.430 1.00 0.00 H new ATOM 0 HA THR A 79 2.971 6.681 -9.732 1.00 0.00 H new ATOM 0 HB THR A 79 -0.052 6.719 -9.959 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.292 4.864 -11.386 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.285 6.916 -12.404 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.961 8.297 -11.508 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.040 7.027 -12.134 1.00 0.00 H new ATOM 1288 N ILE A 80 0.818 8.722 -8.280 1.00 0.00 N ATOM 1289 CA ILE A 80 0.584 10.121 -7.958 1.00 0.00 C ATOM 1290 C ILE A 80 1.873 10.901 -7.659 1.00 0.00 C ATOM 1291 O ILE A 80 1.941 12.104 -7.909 1.00 0.00 O ATOM 1292 CB ILE A 80 -0.417 10.267 -6.804 1.00 0.00 C ATOM 1293 CG1 ILE A 80 -1.813 10.134 -7.390 1.00 0.00 C ATOM 1294 CG2 ILE A 80 -0.267 11.609 -6.089 1.00 0.00 C ATOM 1295 CD1 ILE A 80 -2.903 10.218 -6.368 1.00 0.00 C ATOM 0 H ILE A 80 0.140 8.079 -7.872 1.00 0.00 H new ATOM 0 HA ILE A 80 0.154 10.565 -8.856 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.230 9.493 -6.059 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.962 10.917 -8.133 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.889 9.180 -7.913 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.993 11.673 -5.279 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.740 11.693 -5.681 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.440 12.420 -6.797 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.871 10.115 -6.859 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.780 9.418 -5.638 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.854 11.182 -5.862 1.00 0.00 H new ATOM 1307 N PHE A 81 2.892 10.223 -7.128 1.00 0.00 N ATOM 1308 CA PHE A 81 4.151 10.878 -6.814 1.00 0.00 C ATOM 1309 C PHE A 81 5.259 10.448 -7.773 1.00 0.00 C ATOM 1310 O PHE A 81 6.300 11.100 -7.858 1.00 0.00 O ATOM 1311 CB PHE A 81 4.580 10.611 -5.363 1.00 0.00 C ATOM 1312 CG PHE A 81 3.533 10.952 -4.343 1.00 0.00 C ATOM 1313 CD1 PHE A 81 2.279 10.373 -4.400 1.00 0.00 C ATOM 1314 CD2 PHE A 81 3.809 11.848 -3.323 1.00 0.00 C ATOM 1315 CE1 PHE A 81 1.318 10.681 -3.463 1.00 0.00 C ATOM 1316 CE2 PHE A 81 2.849 12.158 -2.379 1.00 0.00 C ATOM 1317 CZ PHE A 81 1.600 11.574 -2.451 1.00 0.00 C ATOM 0 H PHE A 81 2.865 9.227 -6.910 1.00 0.00 H new ATOM 0 HA PHE A 81 3.987 11.949 -6.933 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.843 9.558 -5.261 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.481 11.186 -5.150 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.050 9.671 -5.188 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.784 12.309 -3.265 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.342 10.222 -3.521 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.075 12.856 -1.586 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.846 11.816 -1.717 1.00 0.00 H new ATOM 1327 N LEU A 82 5.032 9.356 -8.496 1.00 0.00 N ATOM 1328 CA LEU A 82 6.017 8.857 -9.448 1.00 0.00 C ATOM 1329 C LEU A 82 6.327 9.918 -10.502 1.00 0.00 C ATOM 1330 O LEU A 82 5.567 10.108 -11.453 1.00 0.00 O ATOM 1331 CB LEU A 82 5.505 7.573 -10.110 1.00 0.00 C ATOM 1332 CG LEU A 82 6.464 6.914 -11.108 1.00 0.00 C ATOM 1333 CD1 LEU A 82 6.287 7.514 -12.490 1.00 0.00 C ATOM 1334 CD2 LEU A 82 7.909 7.050 -10.647 1.00 0.00 C ATOM 0 H LEU A 82 4.178 8.802 -8.441 1.00 0.00 H new ATOM 0 HA LEU A 82 6.939 8.629 -8.912 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.271 6.851 -9.328 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.572 7.799 -10.626 1.00 0.00 H new ATOM 0 HG LEU A 82 6.224 5.852 -11.158 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.976 7.035 -13.186 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.262 7.356 -12.827 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.496 8.583 -12.452 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.569 6.574 -11.373 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.166 8.106 -10.561 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.028 6.567 -9.677 1.00 0.00 H new ATOM 1346 N GLU A 83 7.443 10.617 -10.311 1.00 0.00 N ATOM 1347 CA GLU A 83 7.863 11.680 -11.224 1.00 0.00 C ATOM 1348 C GLU A 83 7.844 11.228 -12.683 1.00 0.00 C ATOM 1349 O GLU A 83 7.346 11.943 -13.551 1.00 0.00 O ATOM 1350 CB GLU A 83 9.265 12.167 -10.853 1.00 0.00 C ATOM 1351 CG GLU A 83 9.747 13.334 -11.700 1.00 0.00 C ATOM 1352 CD GLU A 83 10.391 14.429 -10.873 1.00 0.00 C ATOM 1353 OE1 GLU A 83 11.462 14.175 -10.282 1.00 0.00 O ATOM 1354 OE2 GLU A 83 9.825 15.540 -10.815 1.00 0.00 O ATOM 0 H GLU A 83 8.078 10.466 -9.527 1.00 0.00 H new ATOM 0 HA GLU A 83 7.148 12.496 -11.121 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.272 12.463 -9.804 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.967 11.340 -10.956 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.464 12.971 -12.437 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.904 13.749 -12.253 1.00 0.00 H new ATOM 1361 N LEU A 84 8.397 10.047 -12.949 1.00 0.00 N ATOM 1362 CA LEU A 84 8.453 9.509 -14.309 1.00 0.00 C ATOM 1363 C LEU A 84 7.085 9.558 -14.990 1.00 0.00 C ATOM 1364 O LEU A 84 6.315 8.601 -14.930 1.00 0.00 O ATOM 1365 CB LEU A 84 8.971 8.070 -14.284 1.00 0.00 C ATOM 1366 CG LEU A 84 10.495 7.929 -14.340 1.00 0.00 C ATOM 1367 CD1 LEU A 84 11.079 7.882 -12.936 1.00 0.00 C ATOM 1368 CD2 LEU A 84 10.887 6.685 -15.124 1.00 0.00 C ATOM 0 H LEU A 84 8.814 9.443 -12.241 1.00 0.00 H new ATOM 0 HA LEU A 84 9.137 10.132 -14.885 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.610 7.586 -13.377 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.540 7.530 -15.127 1.00 0.00 H new ATOM 0 HG LEU A 84 10.903 8.801 -14.852 1.00 0.00 H new ATOM 0 HD11 LEU A 84 12.163 7.782 -12.996 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.828 8.801 -12.407 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.665 7.029 -12.398 1.00 0.00 H new ATOM 0 HD21 LEU A 84 11.973 6.601 -15.154 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.468 5.803 -14.640 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.501 6.759 -16.141 1.00 0.00 H new ATOM 1380 N VAL A 85 6.790 10.681 -15.641 1.00 0.00 N ATOM 1381 CA VAL A 85 5.519 10.851 -16.334 1.00 0.00 C ATOM 1382 C VAL A 85 5.731 11.314 -17.773 1.00 0.00 C ATOM 1383 O VAL A 85 5.630 12.505 -18.073 1.00 0.00 O ATOM 1384 CB VAL A 85 4.615 11.869 -15.609 1.00 0.00 C ATOM 1385 CG1 VAL A 85 3.240 11.924 -16.258 1.00 0.00 C ATOM 1386 CG2 VAL A 85 4.500 11.528 -14.131 1.00 0.00 C ATOM 0 H VAL A 85 7.415 11.485 -15.702 1.00 0.00 H new ATOM 0 HA VAL A 85 5.030 9.877 -16.337 1.00 0.00 H new ATOM 0 HB VAL A 85 5.072 12.855 -15.696 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.618 12.648 -15.732 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.342 12.223 -17.301 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.774 10.940 -16.207 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.858 12.258 -13.638 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.070 10.533 -14.020 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.490 11.548 -13.675 1.00 0.00 H new ATOM 1396 N PRO A 86 6.027 10.374 -18.686 1.00 0.00 N ATOM 1397 CA PRO A 86 6.254 10.676 -20.106 1.00 0.00 C ATOM 1398 C PRO A 86 5.048 11.344 -20.759 1.00 0.00 C ATOM 1399 O PRO A 86 3.975 10.750 -20.860 1.00 0.00 O ATOM 1400 CB PRO A 86 6.490 9.284 -20.700 1.00 0.00 C ATOM 1401 CG PRO A 86 7.035 8.510 -19.563 1.00 0.00 C ATOM 1402 CD PRO A 86 6.165 8.931 -18.427 1.00 0.00 C ATOM 0 HA PRO A 86 7.074 11.377 -20.262 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.565 8.847 -21.077 1.00 0.00 H new ATOM 0 HB3 PRO A 86 7.190 9.317 -21.535 1.00 0.00 H new ATOM 0 HG2 PRO A 86 6.977 7.436 -19.740 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.083 8.746 -19.379 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.203 8.419 -18.435 1.00 0.00 H new ATOM 0 HD3 PRO A 86 6.626 8.729 -17.460 1.00 0.00 H new ATOM 1410 N ARG A 87 5.233 12.585 -21.200 1.00 0.00 N ATOM 1411 CA ARG A 87 4.161 13.336 -21.844 1.00 0.00 C ATOM 1412 C ARG A 87 2.983 13.529 -20.892 1.00 0.00 C ATOM 1413 O ARG A 87 3.010 12.938 -19.791 1.00 0.00 O ATOM 1414 CB ARG A 87 3.694 12.618 -23.111 1.00 0.00 C ATOM 1415 CG ARG A 87 2.595 13.355 -23.857 1.00 0.00 C ATOM 1416 CD ARG A 87 2.440 12.835 -25.277 1.00 0.00 C ATOM 1417 NE ARG A 87 1.705 13.770 -26.126 1.00 0.00 N ATOM 1418 CZ ARG A 87 0.395 13.984 -26.033 1.00 0.00 C ATOM 1419 NH1 ARG A 87 -0.329 13.327 -25.133 1.00 0.00 N ATOM 1420 NH2 ARG A 87 -0.194 14.853 -26.841 1.00 0.00 N ATOM 1421 OXT ARG A 87 2.046 14.269 -21.255 1.00 0.00 O ATOM 0 H ARG A 87 6.115 13.091 -21.123 1.00 0.00 H new ATOM 0 HA ARG A 87 4.552 14.317 -22.114 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.546 12.483 -23.777 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.337 11.623 -22.844 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.652 13.242 -23.322 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.822 14.421 -23.881 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.425 12.654 -25.706 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.920 11.877 -25.257 1.00 0.00 H new ATOM 0 HE ARG A 87 2.227 14.289 -26.832 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.119 12.655 -24.510 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.333 13.494 -25.065 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.357 15.358 -27.535 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.198 15.017 -26.769 1.00 0.00 H new TER 1435 ARG A 87 HETATM 1436 ZN ZN A 88 -2.066 9.531 1.669 1.00 0.00 ZN