USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 729 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 75 MET CE :methyl -151:sc= -0.0162 (180deg=-0.851) USER MOD Set 1.2: A 79 MET CE :methyl 147:sc= -0.0197 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.0359 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 30:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.687 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= -0.0831 USER MOD Single : A 59 HIS : no HD1:sc= -0.0394 X(o=-0.039,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.016) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot -30:sc= -0.808 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 53:sc= 1.22 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 158:sc= -0.608 (180deg=-0.815) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.785 -21.019 4.416 1.00 0.00 N ATOM 2 CA MET A 1 -6.445 -19.983 5.191 1.00 0.00 C ATOM 3 C MET A 1 -7.229 -19.034 4.282 1.00 0.00 C ATOM 4 O MET A 1 -8.429 -18.840 4.469 1.00 0.00 O ATOM 5 CB MET A 1 -5.399 -19.190 5.977 1.00 0.00 C ATOM 6 CG MET A 1 -5.138 -19.830 7.342 1.00 0.00 C ATOM 7 SD MET A 1 -3.701 -19.089 8.099 1.00 0.00 S ATOM 8 CE MET A 1 -2.919 -20.546 8.771 1.00 0.00 C ATOM 0 H1 MET A 1 -5.260 -21.650 5.055 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.497 -21.569 3.895 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.125 -20.581 3.743 1.00 0.00 H new ATOM 0 HA MET A 1 -7.145 -20.459 5.878 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.470 -19.144 5.409 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.741 -18.164 6.112 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.007 -19.699 7.987 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.986 -20.903 7.227 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.999 -20.262 9.282 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.594 -21.027 9.479 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.686 -21.239 7.963 1.00 0.00 H new ATOM 18 N SER A 2 -6.518 -18.466 3.319 1.00 0.00 N ATOM 19 CA SER A 2 -7.132 -17.542 2.381 1.00 0.00 C ATOM 20 C SER A 2 -7.904 -18.318 1.312 1.00 0.00 C ATOM 21 O SER A 2 -7.397 -18.542 0.214 1.00 0.00 O ATOM 22 CB SER A 2 -6.082 -16.641 1.728 1.00 0.00 C ATOM 23 OG SER A 2 -6.284 -15.267 2.048 1.00 0.00 O ATOM 0 H SER A 2 -5.522 -18.628 3.168 1.00 0.00 H new ATOM 0 HA SER A 2 -7.825 -16.906 2.931 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.088 -16.947 2.055 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.116 -16.770 0.646 1.00 0.00 H new ATOM 0 HG SER A 2 -5.593 -14.725 1.614 1.00 0.00 H new ATOM 29 N THR A 3 -9.120 -18.706 1.670 1.00 0.00 N ATOM 30 CA THR A 3 -9.967 -19.451 0.755 1.00 0.00 C ATOM 31 C THR A 3 -10.078 -18.721 -0.584 1.00 0.00 C ATOM 32 O THR A 3 -9.689 -19.256 -1.621 1.00 0.00 O ATOM 33 CB THR A 3 -11.318 -19.676 1.438 1.00 0.00 C ATOM 34 OG1 THR A 3 -11.051 -20.680 2.413 1.00 0.00 O ATOM 35 CG2 THR A 3 -12.345 -20.323 0.507 1.00 0.00 C ATOM 0 H THR A 3 -9.538 -18.518 2.581 1.00 0.00 H new ATOM 0 HA THR A 3 -9.537 -20.425 0.523 1.00 0.00 H new ATOM 0 HB THR A 3 -11.706 -18.723 1.798 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.874 -20.886 2.904 1.00 0.00 H new ATOM 0 HG21 THR A 3 -13.285 -20.460 1.041 1.00 0.00 H new ATOM 0 HG22 THR A 3 -12.509 -19.679 -0.357 1.00 0.00 H new ATOM 0 HG23 THR A 3 -11.973 -21.291 0.172 1.00 0.00 H new ATOM 43 N ASP A 4 -10.611 -17.509 -0.519 1.00 0.00 N ATOM 44 CA ASP A 4 -10.778 -16.700 -1.714 1.00 0.00 C ATOM 45 C ASP A 4 -11.484 -15.394 -1.346 1.00 0.00 C ATOM 46 O ASP A 4 -12.123 -15.303 -0.299 1.00 0.00 O ATOM 47 CB ASP A 4 -11.635 -17.424 -2.754 1.00 0.00 C ATOM 48 CG ASP A 4 -13.004 -17.889 -2.254 1.00 0.00 C ATOM 49 OD1 ASP A 4 -13.380 -17.639 -1.099 1.00 0.00 O ATOM 50 OD2 ASP A 4 -13.706 -18.543 -3.115 1.00 0.00 O ATOM 0 H ASP A 4 -10.933 -17.068 0.343 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.790 -16.508 -2.132 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -11.782 -16.761 -3.606 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -11.084 -18.292 -3.117 1.00 0.00 H new ATOM 55 N THR A 5 -11.344 -14.414 -2.227 1.00 0.00 N ATOM 56 CA THR A 5 -11.960 -13.117 -2.007 1.00 0.00 C ATOM 57 C THR A 5 -13.480 -13.259 -1.901 1.00 0.00 C ATOM 58 O THR A 5 -14.051 -13.073 -0.828 1.00 0.00 O ATOM 59 CB THR A 5 -11.515 -12.184 -3.136 1.00 0.00 C ATOM 60 OG1 THR A 5 -10.144 -11.921 -2.847 1.00 0.00 O ATOM 61 CG2 THR A 5 -12.183 -10.810 -3.058 1.00 0.00 C ATOM 0 H THR A 5 -10.813 -14.493 -3.094 1.00 0.00 H new ATOM 0 HA THR A 5 -11.638 -12.683 -1.060 1.00 0.00 H new ATOM 0 HB THR A 5 -11.742 -12.643 -4.098 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.774 -11.324 -3.531 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.833 -10.188 -3.881 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.265 -10.927 -3.126 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.928 -10.335 -2.111 1.00 0.00 H new ATOM 69 N GLY A 6 -14.091 -13.589 -3.029 1.00 0.00 N ATOM 70 CA GLY A 6 -15.534 -13.759 -3.077 1.00 0.00 C ATOM 71 C GLY A 6 -16.239 -12.411 -3.242 1.00 0.00 C ATOM 72 O GLY A 6 -17.072 -12.038 -2.417 1.00 0.00 O ATOM 0 H GLY A 6 -13.614 -13.743 -3.917 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -15.799 -14.416 -3.905 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -15.877 -14.244 -2.163 1.00 0.00 H new ATOM 76 N VAL A 7 -15.881 -11.719 -4.312 1.00 0.00 N ATOM 77 CA VAL A 7 -16.469 -10.421 -4.596 1.00 0.00 C ATOM 78 C VAL A 7 -16.125 -9.451 -3.463 1.00 0.00 C ATOM 79 O VAL A 7 -16.585 -9.620 -2.335 1.00 0.00 O ATOM 80 CB VAL A 7 -17.975 -10.567 -4.820 1.00 0.00 C ATOM 81 CG1 VAL A 7 -18.659 -9.198 -4.863 1.00 0.00 C ATOM 82 CG2 VAL A 7 -18.265 -11.365 -6.093 1.00 0.00 C ATOM 0 H VAL A 7 -15.190 -12.032 -4.994 1.00 0.00 H new ATOM 0 HA VAL A 7 -16.055 -10.007 -5.516 1.00 0.00 H new ATOM 0 HB VAL A 7 -18.387 -11.121 -3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -19.729 -9.331 -5.023 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -18.495 -8.680 -3.918 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -18.240 -8.608 -5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -19.343 -11.454 -6.229 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -17.832 -10.851 -6.951 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -17.827 -12.359 -6.007 1.00 0.00 H new ATOM 92 N SER A 8 -15.318 -8.457 -3.803 1.00 0.00 N ATOM 93 CA SER A 8 -14.906 -7.460 -2.829 1.00 0.00 C ATOM 94 C SER A 8 -15.625 -6.137 -3.099 1.00 0.00 C ATOM 95 O SER A 8 -16.144 -5.920 -4.193 1.00 0.00 O ATOM 96 CB SER A 8 -13.390 -7.256 -2.857 1.00 0.00 C ATOM 97 OG SER A 8 -12.934 -6.814 -4.133 1.00 0.00 O ATOM 0 H SER A 8 -14.938 -8.320 -4.740 1.00 0.00 H new ATOM 0 HA SER A 8 -15.178 -7.818 -1.836 1.00 0.00 H new ATOM 0 HB2 SER A 8 -13.108 -6.526 -2.098 1.00 0.00 H new ATOM 0 HB3 SER A 8 -12.894 -8.191 -2.599 1.00 0.00 H new ATOM 0 HG SER A 8 -11.962 -6.694 -4.109 1.00 0.00 H new ATOM 103 N LEU A 9 -15.632 -5.286 -2.083 1.00 0.00 N ATOM 104 CA LEU A 9 -16.278 -3.990 -2.197 1.00 0.00 C ATOM 105 C LEU A 9 -15.615 -3.191 -3.320 1.00 0.00 C ATOM 106 O LEU A 9 -14.453 -3.423 -3.649 1.00 0.00 O ATOM 107 CB LEU A 9 -16.277 -3.270 -0.847 1.00 0.00 C ATOM 108 CG LEU A 9 -17.453 -3.582 0.081 1.00 0.00 C ATOM 109 CD1 LEU A 9 -17.336 -4.993 0.660 1.00 0.00 C ATOM 110 CD2 LEU A 9 -17.584 -2.521 1.175 1.00 0.00 C ATOM 0 H LEU A 9 -15.200 -5.469 -1.177 1.00 0.00 H new ATOM 0 HA LEU A 9 -17.327 -4.110 -2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -15.353 -3.519 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -16.260 -2.196 -1.031 1.00 0.00 H new ATOM 0 HG LEU A 9 -18.370 -3.552 -0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -18.184 -5.189 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -17.330 -5.720 -0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -16.410 -5.077 1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -18.427 -2.766 1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -16.669 -2.494 1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -17.749 -1.545 0.718 1.00 0.00 H new ATOM 122 N PRO A 10 -16.403 -2.242 -3.893 1.00 0.00 N ATOM 123 CA PRO A 10 -15.904 -1.407 -4.973 1.00 0.00 C ATOM 124 C PRO A 10 -14.945 -0.340 -4.443 1.00 0.00 C ATOM 125 O PRO A 10 -14.996 0.016 -3.267 1.00 0.00 O ATOM 126 CB PRO A 10 -17.147 -0.819 -5.622 1.00 0.00 C ATOM 127 CG PRO A 10 -18.262 -0.973 -4.601 1.00 0.00 C ATOM 128 CD PRO A 10 -17.784 -1.939 -3.530 1.00 0.00 C ATOM 0 HA PRO A 10 -15.318 -1.967 -5.701 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -16.995 0.229 -5.879 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -17.389 -1.342 -6.547 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -18.512 -0.008 -4.160 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -19.167 -1.349 -5.078 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -17.843 -1.491 -2.538 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -18.395 -2.841 -3.510 1.00 0.00 H new ATOM 136 N SER A 11 -14.092 0.140 -5.336 1.00 0.00 N ATOM 137 CA SER A 11 -13.122 1.159 -4.973 1.00 0.00 C ATOM 138 C SER A 11 -12.218 1.471 -6.167 1.00 0.00 C ATOM 139 O SER A 11 -12.225 2.589 -6.680 1.00 0.00 O ATOM 140 CB SER A 11 -12.283 0.718 -3.772 1.00 0.00 C ATOM 141 OG SER A 11 -11.731 -0.583 -3.956 1.00 0.00 O ATOM 0 H SER A 11 -14.053 -0.158 -6.311 1.00 0.00 H new ATOM 0 HA SER A 11 -13.664 2.062 -4.691 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.477 1.434 -3.610 1.00 0.00 H new ATOM 0 HB3 SER A 11 -12.902 0.726 -2.875 1.00 0.00 H new ATOM 0 HG SER A 11 -11.201 -0.828 -3.169 1.00 0.00 H new ATOM 147 N TYR A 12 -11.462 0.462 -6.575 1.00 0.00 N ATOM 148 CA TYR A 12 -10.554 0.615 -7.699 1.00 0.00 C ATOM 149 C TYR A 12 -11.178 0.068 -8.985 1.00 0.00 C ATOM 150 O TYR A 12 -11.306 0.790 -9.973 1.00 0.00 O ATOM 151 CB TYR A 12 -9.315 -0.213 -7.356 1.00 0.00 C ATOM 152 CG TYR A 12 -7.994 0.448 -7.754 1.00 0.00 C ATOM 153 CD1 TYR A 12 -7.450 1.436 -6.959 1.00 0.00 C ATOM 154 CD2 TYR A 12 -7.347 0.058 -8.909 1.00 0.00 C ATOM 155 CE1 TYR A 12 -6.207 2.059 -7.334 1.00 0.00 C ATOM 156 CE2 TYR A 12 -6.104 0.681 -9.284 1.00 0.00 C ATOM 157 CZ TYR A 12 -5.596 1.651 -8.478 1.00 0.00 C ATOM 158 OH TYR A 12 -4.422 2.239 -8.832 1.00 0.00 O ATOM 0 H TYR A 12 -11.460 -0.464 -6.147 1.00 0.00 H new ATOM 0 HA TYR A 12 -10.321 1.667 -7.864 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.305 -0.405 -6.283 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.389 -1.181 -7.852 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.956 1.742 -6.056 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -7.773 -0.715 -9.532 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.770 2.833 -6.720 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.587 0.385 -10.185 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.100 1.847 -9.670 1.00 0.00 H new ATOM 168 N GLU A 13 -11.549 -1.203 -8.931 1.00 0.00 N ATOM 169 CA GLU A 13 -12.155 -1.855 -10.080 1.00 0.00 C ATOM 170 C GLU A 13 -11.276 -1.676 -11.318 1.00 0.00 C ATOM 171 O GLU A 13 -11.727 -1.150 -12.334 1.00 0.00 O ATOM 172 CB GLU A 13 -13.568 -1.323 -10.329 1.00 0.00 C ATOM 173 CG GLU A 13 -14.283 -2.147 -11.401 1.00 0.00 C ATOM 174 CD GLU A 13 -15.647 -1.542 -11.739 1.00 0.00 C ATOM 175 OE1 GLU A 13 -15.717 -0.525 -12.444 1.00 0.00 O ATOM 176 OE2 GLU A 13 -16.660 -2.168 -11.241 1.00 0.00 O ATOM 0 H GLU A 13 -11.442 -1.799 -8.110 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.235 -2.921 -9.868 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.140 -1.352 -9.402 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.518 -0.280 -10.640 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.668 -2.192 -12.300 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.412 -3.171 -11.051 1.00 0.00 H new ATOM 183 N GLU A 14 -10.034 -2.122 -11.193 1.00 0.00 N ATOM 184 CA GLU A 14 -9.087 -2.018 -12.290 1.00 0.00 C ATOM 185 C GLU A 14 -7.761 -2.680 -11.911 1.00 0.00 C ATOM 186 O GLU A 14 -6.771 -1.996 -11.659 1.00 0.00 O ATOM 187 CB GLU A 14 -8.875 -0.557 -12.693 1.00 0.00 C ATOM 188 CG GLU A 14 -8.612 -0.437 -14.196 1.00 0.00 C ATOM 189 CD GLU A 14 -8.815 1.003 -14.673 1.00 0.00 C ATOM 190 OE1 GLU A 14 -9.738 1.687 -14.208 1.00 0.00 O ATOM 191 OE2 GLU A 14 -7.970 1.407 -15.561 1.00 0.00 O ATOM 0 H GLU A 14 -9.662 -2.556 -10.348 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.499 -2.543 -13.152 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.754 0.029 -12.426 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.034 -0.141 -12.138 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.594 -0.758 -14.418 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.282 -1.103 -14.741 1.00 0.00 H new ATOM 198 N ASP A 15 -7.785 -4.005 -11.882 1.00 0.00 N ATOM 199 CA ASP A 15 -6.597 -4.768 -11.538 1.00 0.00 C ATOM 200 C ASP A 15 -6.653 -6.130 -12.231 1.00 0.00 C ATOM 201 O ASP A 15 -5.688 -6.545 -12.871 1.00 0.00 O ATOM 202 CB ASP A 15 -6.514 -5.008 -10.030 1.00 0.00 C ATOM 203 CG ASP A 15 -5.535 -4.099 -9.283 1.00 0.00 C ATOM 204 OD1 ASP A 15 -5.399 -2.909 -9.601 1.00 0.00 O ATOM 205 OD2 ASP A 15 -4.885 -4.669 -8.325 1.00 0.00 O ATOM 0 H ASP A 15 -8.609 -4.569 -12.091 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.725 -4.199 -11.861 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.508 -4.877 -9.601 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.227 -6.045 -9.858 1.00 0.00 H new ATOM 210 N GLN A 16 -7.792 -6.789 -12.080 1.00 0.00 N ATOM 211 CA GLN A 16 -7.986 -8.097 -12.684 1.00 0.00 C ATOM 212 C GLN A 16 -6.991 -9.103 -12.103 1.00 0.00 C ATOM 213 O GLN A 16 -5.792 -9.018 -12.366 1.00 0.00 O ATOM 214 CB GLN A 16 -7.864 -8.021 -14.207 1.00 0.00 C ATOM 215 CG GLN A 16 -9.239 -7.870 -14.861 1.00 0.00 C ATOM 216 CD GLN A 16 -9.343 -8.728 -16.124 1.00 0.00 C ATOM 217 OE1 GLN A 16 -9.174 -8.261 -17.238 1.00 0.00 O ATOM 218 NE2 GLN A 16 -9.629 -10.005 -15.888 1.00 0.00 N ATOM 0 H GLN A 16 -8.590 -6.442 -11.548 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.995 -8.438 -12.450 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.232 -7.177 -14.483 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.376 -8.921 -14.582 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.016 -8.161 -14.154 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.413 -6.824 -15.112 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.758 -10.330 -14.930 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.719 -10.659 -16.665 1.00 0.00 H new ATOM 227 N GLY A 17 -7.524 -10.032 -11.324 1.00 0.00 N ATOM 228 CA GLY A 17 -6.697 -11.053 -10.704 1.00 0.00 C ATOM 229 C GLY A 17 -5.624 -11.553 -11.673 1.00 0.00 C ATOM 230 O GLY A 17 -4.432 -11.475 -11.379 1.00 0.00 O ATOM 0 H GLY A 17 -8.519 -10.099 -11.108 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.224 -10.649 -9.809 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.321 -11.888 -10.385 1.00 0.00 H new ATOM 234 N SER A 18 -6.085 -12.056 -12.808 1.00 0.00 N ATOM 235 CA SER A 18 -5.180 -12.569 -13.822 1.00 0.00 C ATOM 236 C SER A 18 -4.000 -11.611 -14.003 1.00 0.00 C ATOM 237 O SER A 18 -2.847 -12.039 -14.030 1.00 0.00 O ATOM 238 CB SER A 18 -5.904 -12.776 -15.154 1.00 0.00 C ATOM 239 OG SER A 18 -4.996 -12.861 -16.248 1.00 0.00 O ATOM 0 H SER A 18 -7.074 -12.119 -13.048 1.00 0.00 H new ATOM 0 HA SER A 18 -4.807 -13.537 -13.488 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.499 -13.688 -15.105 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.597 -11.952 -15.322 1.00 0.00 H new ATOM 0 HG SER A 18 -5.497 -12.995 -17.079 1.00 0.00 H new ATOM 245 N LYS A 19 -4.330 -10.334 -14.123 1.00 0.00 N ATOM 246 CA LYS A 19 -3.312 -9.312 -14.300 1.00 0.00 C ATOM 247 C LYS A 19 -2.345 -9.350 -13.115 1.00 0.00 C ATOM 248 O LYS A 19 -1.130 -9.294 -13.299 1.00 0.00 O ATOM 249 CB LYS A 19 -3.960 -7.943 -14.522 1.00 0.00 C ATOM 250 CG LYS A 19 -3.585 -7.375 -15.892 1.00 0.00 C ATOM 251 CD LYS A 19 -4.708 -7.603 -16.906 1.00 0.00 C ATOM 252 CE LYS A 19 -4.510 -6.733 -18.148 1.00 0.00 C ATOM 253 NZ LYS A 19 -3.836 -7.503 -19.218 1.00 0.00 N ATOM 0 H LYS A 19 -5.288 -9.983 -14.101 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.725 -9.510 -15.197 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.044 -8.033 -14.446 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.641 -7.255 -13.739 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.381 -6.308 -15.804 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.669 -7.847 -16.247 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.735 -8.654 -17.194 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.670 -7.374 -16.447 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.475 -6.372 -18.504 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.916 -5.855 -17.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.709 -6.898 -20.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.907 -7.826 -18.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.418 -8.327 -19.472 1.00 0.00 H new ATOM 267 N LEU A 20 -2.921 -9.445 -11.925 1.00 0.00 N ATOM 268 CA LEU A 20 -2.125 -9.491 -10.711 1.00 0.00 C ATOM 269 C LEU A 20 -1.264 -10.755 -10.718 1.00 0.00 C ATOM 270 O LEU A 20 -0.251 -10.825 -10.023 1.00 0.00 O ATOM 271 CB LEU A 20 -3.022 -9.365 -9.478 1.00 0.00 C ATOM 272 CG LEU A 20 -2.473 -8.511 -8.333 1.00 0.00 C ATOM 273 CD1 LEU A 20 -2.542 -7.022 -8.678 1.00 0.00 C ATOM 274 CD2 LEU A 20 -3.189 -8.829 -7.019 1.00 0.00 C ATOM 0 H LEU A 20 -3.929 -9.491 -11.776 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.444 -8.641 -10.670 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.979 -8.946 -9.791 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.222 -10.366 -9.095 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.421 -8.761 -8.195 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.146 -6.437 -7.848 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.951 -6.828 -9.573 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.579 -6.738 -8.859 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.780 -8.208 -6.222 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.254 -8.625 -7.127 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.044 -9.880 -6.771 1.00 0.00 H new ATOM 286 N ILE A 21 -1.697 -11.724 -11.512 1.00 0.00 N ATOM 287 CA ILE A 21 -0.978 -12.982 -11.619 1.00 0.00 C ATOM 288 C ILE A 21 0.033 -12.890 -12.763 1.00 0.00 C ATOM 289 O ILE A 21 0.988 -13.664 -12.816 1.00 0.00 O ATOM 290 CB ILE A 21 -1.958 -14.149 -11.756 1.00 0.00 C ATOM 291 CG1 ILE A 21 -2.680 -14.418 -10.434 1.00 0.00 C ATOM 292 CG2 ILE A 21 -1.252 -15.398 -12.289 1.00 0.00 C ATOM 293 CD1 ILE A 21 -4.158 -14.735 -10.671 1.00 0.00 C ATOM 0 H ILE A 21 -2.537 -11.663 -12.087 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.412 -13.177 -10.708 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.718 -13.872 -12.486 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.204 -15.252 -9.919 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.591 -13.548 -9.783 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.971 -16.213 -12.377 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.824 -15.184 -13.268 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.457 -15.688 -11.602 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -4.648 -14.922 -9.715 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.637 -13.889 -11.165 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.244 -15.620 -11.302 1.00 0.00 H new ATOM 305 N ARG A 22 -0.210 -11.937 -13.651 1.00 0.00 N ATOM 306 CA ARG A 22 0.668 -11.735 -14.791 1.00 0.00 C ATOM 307 C ARG A 22 2.023 -11.196 -14.328 1.00 0.00 C ATOM 308 O ARG A 22 3.068 -11.670 -14.772 1.00 0.00 O ATOM 309 CB ARG A 22 0.053 -10.755 -15.792 1.00 0.00 C ATOM 310 CG ARG A 22 -1.040 -11.432 -16.622 1.00 0.00 C ATOM 311 CD ARG A 22 -0.645 -11.499 -18.098 1.00 0.00 C ATOM 312 NE ARG A 22 0.020 -12.789 -18.387 1.00 0.00 N ATOM 313 CZ ARG A 22 0.253 -13.259 -19.631 1.00 0.00 C ATOM 314 NH1 ARG A 22 -0.125 -12.547 -20.714 1.00 0.00 N ATOM 315 NH2 ARG A 22 0.855 -14.425 -19.773 1.00 0.00 N ATOM 0 H ARG A 22 -1.002 -11.296 -13.604 1.00 0.00 H new ATOM 0 HA ARG A 22 0.804 -12.700 -15.280 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.366 -9.901 -15.260 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.830 -10.369 -16.452 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.218 -12.439 -16.243 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.975 -10.882 -16.517 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.530 -11.388 -18.725 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.024 -10.673 -18.342 1.00 0.00 H new ATOM 0 HE ARG A 22 0.321 -13.359 -17.597 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.590 -11.647 -20.596 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.055 -12.909 -21.651 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.137 -14.957 -18.950 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.038 -14.794 -20.706 1.00 0.00 H new ATOM 329 N LYS A 23 1.962 -10.214 -13.440 1.00 0.00 N ATOM 330 CA LYS A 23 3.172 -9.607 -12.912 1.00 0.00 C ATOM 331 C LYS A 23 4.038 -10.687 -12.262 1.00 0.00 C ATOM 332 O LYS A 23 4.971 -11.196 -12.882 1.00 0.00 O ATOM 333 CB LYS A 23 2.824 -8.449 -11.974 1.00 0.00 C ATOM 334 CG LYS A 23 3.501 -7.154 -12.427 1.00 0.00 C ATOM 335 CD LYS A 23 4.736 -6.853 -11.575 1.00 0.00 C ATOM 336 CE LYS A 23 4.551 -5.559 -10.780 1.00 0.00 C ATOM 337 NZ LYS A 23 5.372 -5.585 -9.549 1.00 0.00 N ATOM 0 H LYS A 23 1.094 -9.824 -13.073 1.00 0.00 H new ATOM 0 HA LYS A 23 3.762 -9.169 -13.717 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.743 -8.309 -11.949 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.138 -8.692 -10.959 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.789 -7.238 -13.475 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.795 -6.326 -12.356 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.921 -7.681 -10.891 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.613 -6.768 -12.217 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.833 -4.704 -11.395 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.500 -5.432 -10.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.235 -4.699 -9.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.084 -6.389 -8.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.376 -5.684 -9.803 1.00 0.00 H new ATOM 351 N ALA A 24 3.699 -11.005 -11.021 1.00 0.00 N ATOM 352 CA ALA A 24 4.434 -12.016 -10.280 1.00 0.00 C ATOM 353 C ALA A 24 3.544 -12.576 -9.169 1.00 0.00 C ATOM 354 O ALA A 24 3.334 -11.923 -8.148 1.00 0.00 O ATOM 355 CB ALA A 24 5.730 -11.410 -9.738 1.00 0.00 C ATOM 0 H ALA A 24 2.925 -10.580 -10.510 1.00 0.00 H new ATOM 0 HA ALA A 24 4.709 -12.845 -10.932 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.282 -12.168 -9.182 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.340 -11.053 -10.568 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.493 -10.576 -9.077 1.00 0.00 H new ATOM 361 N LYS A 25 3.043 -13.780 -9.407 1.00 0.00 N ATOM 362 CA LYS A 25 2.180 -14.436 -8.439 1.00 0.00 C ATOM 363 C LYS A 25 2.839 -14.387 -7.059 1.00 0.00 C ATOM 364 O LYS A 25 2.610 -13.453 -6.291 1.00 0.00 O ATOM 365 CB LYS A 25 1.832 -15.851 -8.905 1.00 0.00 C ATOM 366 CG LYS A 25 0.951 -16.565 -7.877 1.00 0.00 C ATOM 367 CD LYS A 25 -0.256 -17.220 -8.551 1.00 0.00 C ATOM 368 CE LYS A 25 -0.697 -18.472 -7.789 1.00 0.00 C ATOM 369 NZ LYS A 25 0.075 -19.651 -8.241 1.00 0.00 N ATOM 0 H LYS A 25 3.218 -14.318 -10.256 1.00 0.00 H new ATOM 0 HA LYS A 25 1.229 -13.909 -8.357 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.315 -15.805 -9.863 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.747 -16.421 -9.064 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.536 -17.322 -7.355 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.610 -15.852 -7.127 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.081 -16.509 -8.598 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.004 -17.485 -9.578 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.553 -18.324 -6.719 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.762 -18.645 -7.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.236 -20.492 -7.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.084 -19.801 -9.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.088 -19.490 -8.069 1.00 0.00 H new ATOM 383 N GLU A 26 3.643 -15.403 -6.786 1.00 0.00 N ATOM 384 CA GLU A 26 4.336 -15.488 -5.512 1.00 0.00 C ATOM 385 C GLU A 26 5.658 -14.720 -5.575 1.00 0.00 C ATOM 386 O GLU A 26 6.693 -15.287 -5.921 1.00 0.00 O ATOM 387 CB GLU A 26 4.567 -16.946 -5.109 1.00 0.00 C ATOM 388 CG GLU A 26 4.427 -17.126 -3.596 1.00 0.00 C ATOM 389 CD GLU A 26 4.546 -18.600 -3.206 1.00 0.00 C ATOM 390 OE1 GLU A 26 5.666 -19.158 -3.518 1.00 0.00 O ATOM 391 OE2 GLU A 26 3.604 -19.168 -2.634 1.00 0.00 O ATOM 0 H GLU A 26 3.830 -16.175 -7.426 1.00 0.00 H new ATOM 0 HA GLU A 26 3.708 -15.030 -4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.850 -17.587 -5.623 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.561 -17.261 -5.426 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.196 -16.548 -3.085 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.464 -16.736 -3.267 1.00 0.00 H new ATOM 398 N ALA A 27 5.580 -13.442 -5.235 1.00 0.00 N ATOM 399 CA ALA A 27 6.757 -12.591 -5.248 1.00 0.00 C ATOM 400 C ALA A 27 6.956 -11.980 -3.859 1.00 0.00 C ATOM 401 O ALA A 27 6.021 -11.925 -3.062 1.00 0.00 O ATOM 402 CB ALA A 27 6.606 -11.527 -6.337 1.00 0.00 C ATOM 0 H ALA A 27 4.719 -12.975 -4.949 1.00 0.00 H new ATOM 0 HA ALA A 27 7.648 -13.173 -5.482 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.489 -10.888 -6.347 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.498 -12.012 -7.307 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.723 -10.921 -6.134 1.00 0.00 H new ATOM 408 N PRO A 28 8.212 -11.524 -3.606 1.00 0.00 N ATOM 409 CA PRO A 28 8.545 -10.920 -2.327 1.00 0.00 C ATOM 410 C PRO A 28 7.973 -9.504 -2.225 1.00 0.00 C ATOM 411 O PRO A 28 7.075 -9.137 -2.981 1.00 0.00 O ATOM 412 CB PRO A 28 10.063 -10.954 -2.260 1.00 0.00 C ATOM 413 CG PRO A 28 10.540 -11.147 -3.690 1.00 0.00 C ATOM 414 CD PRO A 28 9.344 -11.573 -4.526 1.00 0.00 C ATOM 0 HA PRO A 28 8.110 -11.455 -1.482 1.00 0.00 H new ATOM 0 HB2 PRO A 28 10.456 -10.029 -1.839 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.407 -11.767 -1.621 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.967 -10.222 -4.078 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.324 -11.903 -3.732 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.195 -10.904 -5.373 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.481 -12.575 -4.932 1.00 0.00 H new ATOM 422 N PHE A 29 8.518 -8.747 -1.284 1.00 0.00 N ATOM 423 CA PHE A 29 8.074 -7.380 -1.073 1.00 0.00 C ATOM 424 C PHE A 29 8.889 -6.401 -1.922 1.00 0.00 C ATOM 425 O PHE A 29 8.549 -5.223 -2.016 1.00 0.00 O ATOM 426 CB PHE A 29 8.296 -7.060 0.406 1.00 0.00 C ATOM 427 CG PHE A 29 7.070 -7.308 1.287 1.00 0.00 C ATOM 428 CD1 PHE A 29 6.154 -6.320 1.471 1.00 0.00 C ATOM 429 CD2 PHE A 29 6.896 -8.517 1.886 1.00 0.00 C ATOM 430 CE1 PHE A 29 5.016 -6.550 2.289 1.00 0.00 C ATOM 431 CE2 PHE A 29 5.758 -8.747 2.704 1.00 0.00 C ATOM 432 CZ PHE A 29 4.842 -7.758 2.888 1.00 0.00 C ATOM 0 H PHE A 29 9.263 -9.055 -0.659 1.00 0.00 H new ATOM 0 HA PHE A 29 7.026 -7.282 -1.358 1.00 0.00 H new ATOM 0 HB2 PHE A 29 9.125 -7.662 0.777 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.593 -6.016 0.501 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.292 -5.360 0.995 1.00 0.00 H new ATOM 0 HD2 PHE A 29 7.623 -9.302 1.739 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.289 -5.765 2.435 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.620 -9.707 3.180 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.977 -7.933 3.510 1.00 0.00 H new ATOM 442 N VAL A 30 9.949 -6.926 -2.518 1.00 0.00 N ATOM 443 CA VAL A 30 10.815 -6.114 -3.356 1.00 0.00 C ATOM 444 C VAL A 30 9.958 -5.271 -4.302 1.00 0.00 C ATOM 445 O VAL A 30 10.127 -4.055 -4.382 1.00 0.00 O ATOM 446 CB VAL A 30 11.818 -7.005 -4.091 1.00 0.00 C ATOM 447 CG1 VAL A 30 11.955 -6.584 -5.556 1.00 0.00 C ATOM 448 CG2 VAL A 30 13.177 -6.997 -3.389 1.00 0.00 C ATOM 0 H VAL A 30 10.228 -7.904 -2.437 1.00 0.00 H new ATOM 0 HA VAL A 30 11.399 -5.425 -2.746 1.00 0.00 H new ATOM 0 HB VAL A 30 11.437 -8.026 -4.070 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.674 -7.233 -6.055 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.987 -6.666 -6.050 1.00 0.00 H new ATOM 0 HG13 VAL A 30 12.302 -5.552 -5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.871 -7.638 -3.932 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.567 -5.980 -3.363 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.062 -7.367 -2.370 1.00 0.00 H new ATOM 458 N PRO A 31 9.033 -5.969 -5.015 1.00 0.00 N ATOM 459 CA PRO A 31 8.149 -5.298 -5.953 1.00 0.00 C ATOM 460 C PRO A 31 7.051 -4.527 -5.216 1.00 0.00 C ATOM 461 O PRO A 31 6.467 -3.595 -5.766 1.00 0.00 O ATOM 462 CB PRO A 31 7.604 -6.405 -6.841 1.00 0.00 C ATOM 463 CG PRO A 31 7.836 -7.701 -6.081 1.00 0.00 C ATOM 464 CD PRO A 31 8.805 -7.409 -4.947 1.00 0.00 C ATOM 0 HA PRO A 31 8.663 -4.544 -6.549 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.544 -6.256 -7.045 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.114 -6.420 -7.804 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.895 -8.087 -5.689 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.243 -8.465 -6.744 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.385 -7.698 -3.983 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.736 -7.963 -5.069 1.00 0.00 H new ATOM 472 N VAL A 32 6.804 -4.946 -3.984 1.00 0.00 N ATOM 473 CA VAL A 32 5.787 -4.307 -3.166 1.00 0.00 C ATOM 474 C VAL A 32 6.230 -2.881 -2.831 1.00 0.00 C ATOM 475 O VAL A 32 5.458 -1.935 -2.983 1.00 0.00 O ATOM 476 CB VAL A 32 5.506 -5.153 -1.923 1.00 0.00 C ATOM 477 CG1 VAL A 32 4.542 -4.435 -0.977 1.00 0.00 C ATOM 478 CG2 VAL A 32 4.970 -6.533 -2.310 1.00 0.00 C ATOM 0 H VAL A 32 7.291 -5.720 -3.532 1.00 0.00 H new ATOM 0 HA VAL A 32 4.847 -4.236 -3.713 1.00 0.00 H new ATOM 0 HB VAL A 32 6.448 -5.296 -1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.359 -5.058 -0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.979 -3.487 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.600 -4.247 -1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.778 -7.115 -1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.043 -6.419 -2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.706 -7.050 -2.926 1.00 0.00 H new ATOM 488 N GLY A 33 7.471 -2.771 -2.381 1.00 0.00 N ATOM 489 CA GLY A 33 8.026 -1.477 -2.023 1.00 0.00 C ATOM 490 C GLY A 33 8.337 -0.650 -3.272 1.00 0.00 C ATOM 491 O GLY A 33 8.085 0.554 -3.302 1.00 0.00 O ATOM 0 H GLY A 33 8.108 -3.557 -2.256 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.321 -0.937 -1.391 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.936 -1.616 -1.439 1.00 0.00 H new ATOM 495 N ILE A 34 8.881 -1.328 -4.272 1.00 0.00 N ATOM 496 CA ILE A 34 9.230 -0.671 -5.520 1.00 0.00 C ATOM 497 C ILE A 34 7.986 0.006 -6.100 1.00 0.00 C ATOM 498 O ILE A 34 7.912 1.232 -6.158 1.00 0.00 O ATOM 499 CB ILE A 34 9.896 -1.660 -6.479 1.00 0.00 C ATOM 500 CG1 ILE A 34 11.371 -1.859 -6.124 1.00 0.00 C ATOM 501 CG2 ILE A 34 9.710 -1.223 -7.933 1.00 0.00 C ATOM 502 CD1 ILE A 34 12.217 -0.682 -6.616 1.00 0.00 C ATOM 0 H ILE A 34 9.089 -2.326 -4.243 1.00 0.00 H new ATOM 0 HA ILE A 34 9.967 0.112 -5.345 1.00 0.00 H new ATOM 0 HB ILE A 34 9.405 -2.627 -6.368 1.00 0.00 H new ATOM 0 HG12 ILE A 34 11.478 -1.962 -5.044 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.735 -2.785 -6.570 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.193 -1.943 -8.594 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.646 -1.174 -8.165 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.159 -0.240 -8.078 1.00 0.00 H new ATOM 0 HD11 ILE A 34 13.261 -0.848 -6.351 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.127 -0.597 -7.699 1.00 0.00 H new ATOM 0 HD13 ILE A 34 11.866 0.238 -6.149 1.00 0.00 H new ATOM 514 N ALA A 35 7.040 -0.824 -6.515 1.00 0.00 N ATOM 515 CA ALA A 35 5.803 -0.321 -7.089 1.00 0.00 C ATOM 516 C ALA A 35 5.038 0.470 -6.026 1.00 0.00 C ATOM 517 O ALA A 35 4.734 1.646 -6.221 1.00 0.00 O ATOM 518 CB ALA A 35 4.988 -1.490 -7.646 1.00 0.00 C ATOM 0 H ALA A 35 7.105 -1.841 -6.465 1.00 0.00 H new ATOM 0 HA ALA A 35 6.010 0.356 -7.918 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.060 -1.114 -8.077 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.565 -2.001 -8.417 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.758 -2.189 -6.842 1.00 0.00 H new ATOM 524 N GLY A 36 4.747 -0.208 -4.925 1.00 0.00 N ATOM 525 CA GLY A 36 4.023 0.417 -3.831 1.00 0.00 C ATOM 526 C GLY A 36 4.482 1.862 -3.625 1.00 0.00 C ATOM 527 O GLY A 36 3.669 2.785 -3.651 1.00 0.00 O ATOM 0 H GLY A 36 4.999 -1.184 -4.767 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.953 0.398 -4.040 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.179 -0.152 -2.915 1.00 0.00 H new ATOM 531 N PHE A 37 5.782 2.014 -3.423 1.00 0.00 N ATOM 532 CA PHE A 37 6.359 3.331 -3.213 1.00 0.00 C ATOM 533 C PHE A 37 6.112 4.237 -4.420 1.00 0.00 C ATOM 534 O PHE A 37 5.743 5.400 -4.262 1.00 0.00 O ATOM 535 CB PHE A 37 7.866 3.136 -3.036 1.00 0.00 C ATOM 536 CG PHE A 37 8.636 4.435 -2.786 1.00 0.00 C ATOM 537 CD1 PHE A 37 8.581 5.034 -1.566 1.00 0.00 C ATOM 538 CD2 PHE A 37 9.376 4.989 -3.783 1.00 0.00 C ATOM 539 CE1 PHE A 37 9.295 6.239 -1.334 1.00 0.00 C ATOM 540 CE2 PHE A 37 10.090 6.194 -3.551 1.00 0.00 C ATOM 541 CZ PHE A 37 10.035 6.793 -2.331 1.00 0.00 C ATOM 0 H PHE A 37 6.453 1.246 -3.400 1.00 0.00 H new ATOM 0 HA PHE A 37 5.904 3.801 -2.341 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.039 2.457 -2.201 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.267 2.654 -3.927 1.00 0.00 H new ATOM 0 HD1 PHE A 37 7.994 4.593 -0.774 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.421 4.513 -4.751 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.250 6.715 -0.366 1.00 0.00 H new ATOM 0 HE2 PHE A 37 10.677 6.635 -4.343 1.00 0.00 H new ATOM 0 HZ PHE A 37 10.579 7.709 -2.154 1.00 0.00 H new ATOM 551 N ALA A 38 6.324 3.671 -5.599 1.00 0.00 N ATOM 552 CA ALA A 38 6.129 4.413 -6.832 1.00 0.00 C ATOM 553 C ALA A 38 4.720 5.010 -6.846 1.00 0.00 C ATOM 554 O ALA A 38 4.559 6.227 -6.918 1.00 0.00 O ATOM 555 CB ALA A 38 6.384 3.493 -8.028 1.00 0.00 C ATOM 0 H ALA A 38 6.629 2.706 -5.726 1.00 0.00 H new ATOM 0 HA ALA A 38 6.838 5.239 -6.899 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.238 4.050 -8.953 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.407 3.119 -7.988 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.689 2.654 -7.996 1.00 0.00 H new ATOM 561 N ALA A 39 3.737 4.125 -6.774 1.00 0.00 N ATOM 562 CA ALA A 39 2.347 4.549 -6.777 1.00 0.00 C ATOM 563 C ALA A 39 2.125 5.562 -5.652 1.00 0.00 C ATOM 564 O ALA A 39 1.714 6.694 -5.904 1.00 0.00 O ATOM 565 CB ALA A 39 1.439 3.325 -6.646 1.00 0.00 C ATOM 0 H ALA A 39 3.875 3.116 -6.713 1.00 0.00 H new ATOM 0 HA ALA A 39 2.098 5.040 -7.718 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.397 3.643 -6.648 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.614 2.651 -7.484 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.658 2.808 -5.712 1.00 0.00 H new ATOM 571 N ILE A 40 2.407 5.119 -4.436 1.00 0.00 N ATOM 572 CA ILE A 40 2.243 5.973 -3.272 1.00 0.00 C ATOM 573 C ILE A 40 2.709 7.390 -3.614 1.00 0.00 C ATOM 574 O ILE A 40 1.992 8.359 -3.369 1.00 0.00 O ATOM 575 CB ILE A 40 2.954 5.369 -2.059 1.00 0.00 C ATOM 576 CG1 ILE A 40 2.205 4.140 -1.541 1.00 0.00 C ATOM 577 CG2 ILE A 40 3.161 6.418 -0.965 1.00 0.00 C ATOM 578 CD1 ILE A 40 0.880 4.540 -0.888 1.00 0.00 C ATOM 0 H ILE A 40 2.748 4.180 -4.231 1.00 0.00 H new ATOM 0 HA ILE A 40 1.191 6.040 -2.995 1.00 0.00 H new ATOM 0 HB ILE A 40 3.942 5.035 -2.374 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.015 3.451 -2.364 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.825 3.610 -0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.668 5.962 -0.115 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.769 7.235 -1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.194 6.806 -0.645 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.368 3.648 -0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.075 5.209 -0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.253 5.048 -1.620 1.00 0.00 H new ATOM 590 N VAL A 41 3.907 7.465 -4.176 1.00 0.00 N ATOM 591 CA VAL A 41 4.476 8.747 -4.555 1.00 0.00 C ATOM 592 C VAL A 41 3.508 9.475 -5.489 1.00 0.00 C ATOM 593 O VAL A 41 3.181 10.639 -5.266 1.00 0.00 O ATOM 594 CB VAL A 41 5.862 8.543 -5.171 1.00 0.00 C ATOM 595 CG1 VAL A 41 6.370 9.833 -5.818 1.00 0.00 C ATOM 596 CG2 VAL A 41 6.854 8.024 -4.129 1.00 0.00 C ATOM 0 H VAL A 41 4.499 6.659 -4.378 1.00 0.00 H new ATOM 0 HA VAL A 41 4.615 9.377 -3.677 1.00 0.00 H new ATOM 0 HB VAL A 41 5.773 7.789 -5.953 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.357 9.660 -6.248 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.681 10.142 -6.604 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.435 10.617 -5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.831 7.888 -4.593 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.936 8.744 -3.315 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.503 7.070 -3.736 1.00 0.00 H new ATOM 606 N ALA A 42 3.075 8.757 -6.516 1.00 0.00 N ATOM 607 CA ALA A 42 2.150 9.320 -7.485 1.00 0.00 C ATOM 608 C ALA A 42 0.926 9.874 -6.754 1.00 0.00 C ATOM 609 O ALA A 42 0.623 11.062 -6.854 1.00 0.00 O ATOM 610 CB ALA A 42 1.780 8.253 -8.517 1.00 0.00 C ATOM 0 H ALA A 42 3.348 7.791 -6.698 1.00 0.00 H new ATOM 0 HA ALA A 42 2.614 10.147 -8.023 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.086 8.675 -9.244 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.681 7.914 -9.029 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.309 7.408 -8.014 1.00 0.00 H new ATOM 616 N TYR A 43 0.255 8.987 -6.034 1.00 0.00 N ATOM 617 CA TYR A 43 -0.930 9.372 -5.286 1.00 0.00 C ATOM 618 C TYR A 43 -0.716 10.706 -4.569 1.00 0.00 C ATOM 619 O TYR A 43 -1.504 11.636 -4.732 1.00 0.00 O ATOM 620 CB TYR A 43 -1.145 8.274 -4.242 1.00 0.00 C ATOM 621 CG TYR A 43 -2.370 7.396 -4.505 1.00 0.00 C ATOM 622 CD1 TYR A 43 -3.628 7.849 -4.166 1.00 0.00 C ATOM 623 CD2 TYR A 43 -2.216 6.152 -5.082 1.00 0.00 C ATOM 624 CE1 TYR A 43 -4.782 7.023 -4.414 1.00 0.00 C ATOM 625 CE2 TYR A 43 -3.369 5.326 -5.329 1.00 0.00 C ATOM 626 CZ TYR A 43 -4.595 5.802 -4.983 1.00 0.00 C ATOM 627 OH TYR A 43 -5.684 5.021 -5.217 1.00 0.00 O ATOM 0 H TYR A 43 0.509 8.003 -5.953 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.784 9.488 -5.953 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.258 7.641 -4.207 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.246 8.736 -3.260 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.748 8.823 -3.715 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.231 5.798 -5.348 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.773 7.365 -4.154 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.263 4.350 -5.779 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.464 5.590 -5.385 1.00 0.00 H new ATOM 637 N GLY A 44 0.355 10.758 -3.790 1.00 0.00 N ATOM 638 CA GLY A 44 0.683 11.963 -3.047 1.00 0.00 C ATOM 639 C GLY A 44 0.835 13.161 -3.986 1.00 0.00 C ATOM 640 O GLY A 44 0.216 14.203 -3.774 1.00 0.00 O ATOM 0 H GLY A 44 1.007 9.985 -3.657 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.098 12.167 -2.315 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.609 11.812 -2.492 1.00 0.00 H new ATOM 644 N LEU A 45 1.661 12.974 -5.005 1.00 0.00 N ATOM 645 CA LEU A 45 1.902 14.026 -5.977 1.00 0.00 C ATOM 646 C LEU A 45 0.562 14.583 -6.462 1.00 0.00 C ATOM 647 O LEU A 45 0.356 15.796 -6.470 1.00 0.00 O ATOM 648 CB LEU A 45 2.801 13.518 -7.106 1.00 0.00 C ATOM 649 CG LEU A 45 3.688 14.566 -7.780 1.00 0.00 C ATOM 650 CD1 LEU A 45 5.130 14.068 -7.902 1.00 0.00 C ATOM 651 CD2 LEU A 45 3.111 14.984 -9.134 1.00 0.00 C ATOM 0 H LEU A 45 2.172 12.108 -5.178 1.00 0.00 H new ATOM 0 HA LEU A 45 2.444 14.852 -5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.441 12.731 -6.708 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.170 13.060 -7.868 1.00 0.00 H new ATOM 0 HG LEU A 45 3.706 15.454 -7.149 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.739 14.832 -8.385 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.528 13.860 -6.909 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.151 13.157 -8.499 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.761 15.730 -9.592 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.043 14.113 -9.785 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.117 15.408 -8.991 1.00 0.00 H new ATOM 663 N TYR A 46 -0.315 13.670 -6.854 1.00 0.00 N ATOM 664 CA TYR A 46 -1.629 14.055 -7.340 1.00 0.00 C ATOM 665 C TYR A 46 -2.489 14.617 -6.206 1.00 0.00 C ATOM 666 O TYR A 46 -3.186 15.615 -6.386 1.00 0.00 O ATOM 667 CB TYR A 46 -2.276 12.773 -7.867 1.00 0.00 C ATOM 668 CG TYR A 46 -2.162 12.595 -9.382 1.00 0.00 C ATOM 669 CD1 TYR A 46 -0.920 12.470 -9.970 1.00 0.00 C ATOM 670 CD2 TYR A 46 -3.301 12.561 -10.161 1.00 0.00 C ATOM 671 CE1 TYR A 46 -0.812 12.303 -11.396 1.00 0.00 C ATOM 672 CE2 TYR A 46 -3.193 12.395 -11.587 1.00 0.00 C ATOM 673 CZ TYR A 46 -1.954 12.274 -12.135 1.00 0.00 C ATOM 674 OH TYR A 46 -1.852 12.116 -13.482 1.00 0.00 O ATOM 0 H TYR A 46 -0.141 12.665 -6.845 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.545 14.826 -8.106 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.814 11.917 -7.375 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.330 12.770 -7.590 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.029 12.497 -9.361 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.273 12.659 -9.701 1.00 0.00 H new ATOM 0 HE1 TYR A 46 0.154 12.203 -11.869 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.076 12.367 -12.208 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.748 12.113 -13.880 1.00 0.00 H new ATOM 684 N LYS A 47 -2.413 13.952 -5.062 1.00 0.00 N ATOM 685 CA LYS A 47 -3.175 14.373 -3.900 1.00 0.00 C ATOM 686 C LYS A 47 -2.876 15.844 -3.604 1.00 0.00 C ATOM 687 O LYS A 47 -3.775 16.605 -3.247 1.00 0.00 O ATOM 688 CB LYS A 47 -2.907 13.441 -2.717 1.00 0.00 C ATOM 689 CG LYS A 47 -3.950 13.638 -1.615 1.00 0.00 C ATOM 690 CD LYS A 47 -4.867 12.418 -1.503 1.00 0.00 C ATOM 691 CE LYS A 47 -6.061 12.711 -0.593 1.00 0.00 C ATOM 692 NZ LYS A 47 -6.378 11.531 0.242 1.00 0.00 N ATOM 0 H LYS A 47 -1.835 13.124 -4.916 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.244 14.299 -4.099 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.922 12.405 -3.055 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.911 13.632 -2.318 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.449 13.810 -0.662 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.545 14.526 -1.827 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.222 12.133 -2.494 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.305 11.571 -1.110 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.838 13.566 0.045 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.928 12.981 -1.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.191 11.747 0.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.611 10.724 -0.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.555 11.292 0.831 1.00 0.00 H new ATOM 706 N LEU A 48 -1.610 16.201 -3.762 1.00 0.00 N ATOM 707 CA LEU A 48 -1.181 17.567 -3.516 1.00 0.00 C ATOM 708 C LEU A 48 -2.228 18.534 -4.074 1.00 0.00 C ATOM 709 O LEU A 48 -2.751 19.375 -3.345 1.00 0.00 O ATOM 710 CB LEU A 48 0.226 17.795 -4.073 1.00 0.00 C ATOM 711 CG LEU A 48 1.282 18.247 -3.063 1.00 0.00 C ATOM 712 CD1 LEU A 48 2.680 18.225 -3.684 1.00 0.00 C ATOM 713 CD2 LEU A 48 0.934 19.619 -2.482 1.00 0.00 C ATOM 0 H LEU A 48 -0.867 15.568 -4.058 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.110 17.757 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.567 16.868 -4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.165 18.542 -4.864 1.00 0.00 H new ATOM 0 HG LEU A 48 1.287 17.539 -2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.412 18.551 -2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.918 17.212 -4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.708 18.897 -4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.701 19.916 -1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.884 20.353 -3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.031 19.567 -1.978 1.00 0.00 H new ATOM 725 N LYS A 49 -2.501 18.381 -5.361 1.00 0.00 N ATOM 726 CA LYS A 49 -3.476 19.230 -6.025 1.00 0.00 C ATOM 727 C LYS A 49 -4.868 18.936 -5.464 1.00 0.00 C ATOM 728 O LYS A 49 -5.266 17.777 -5.357 1.00 0.00 O ATOM 729 CB LYS A 49 -3.379 19.071 -7.544 1.00 0.00 C ATOM 730 CG LYS A 49 -3.831 20.346 -8.258 1.00 0.00 C ATOM 731 CD LYS A 49 -4.936 20.044 -9.272 1.00 0.00 C ATOM 732 CE LYS A 49 -5.034 21.152 -10.323 1.00 0.00 C ATOM 733 NZ LYS A 49 -4.508 20.681 -11.623 1.00 0.00 N ATOM 0 H LYS A 49 -2.064 17.682 -5.962 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.266 20.280 -5.823 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.352 18.838 -7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.996 18.232 -7.866 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.192 21.069 -7.526 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.982 20.803 -8.766 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.735 19.091 -9.761 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.890 19.942 -8.756 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.072 21.464 -10.436 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.473 22.026 -9.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.582 21.445 -12.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.511 20.406 -11.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.061 19.861 -11.945 1.00 0.00 H new ATOM 747 N SER A 50 -5.571 20.005 -5.120 1.00 0.00 N ATOM 748 CA SER A 50 -6.910 19.876 -4.572 1.00 0.00 C ATOM 749 C SER A 50 -7.868 19.358 -5.647 1.00 0.00 C ATOM 750 O SER A 50 -8.498 18.316 -5.472 1.00 0.00 O ATOM 751 CB SER A 50 -7.409 21.211 -4.016 1.00 0.00 C ATOM 752 OG SER A 50 -6.497 21.773 -3.076 1.00 0.00 O ATOM 0 H SER A 50 -5.238 20.965 -5.210 1.00 0.00 H new ATOM 0 HA SER A 50 -6.875 19.161 -3.750 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.561 21.912 -4.837 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.378 21.065 -3.538 1.00 0.00 H new ATOM 0 HG SER A 50 -6.851 22.625 -2.746 1.00 0.00 H new ATOM 758 N ARG A 51 -7.946 20.108 -6.736 1.00 0.00 N ATOM 759 CA ARG A 51 -8.816 19.737 -7.840 1.00 0.00 C ATOM 760 C ARG A 51 -8.495 18.319 -8.315 1.00 0.00 C ATOM 761 O ARG A 51 -7.498 18.101 -9.002 1.00 0.00 O ATOM 762 CB ARG A 51 -8.661 20.708 -9.012 1.00 0.00 C ATOM 763 CG ARG A 51 -9.354 22.040 -8.717 1.00 0.00 C ATOM 764 CD ARG A 51 -10.669 22.158 -9.491 1.00 0.00 C ATOM 765 NE ARG A 51 -11.365 23.409 -9.118 1.00 0.00 N ATOM 766 CZ ARG A 51 -12.252 24.047 -9.911 1.00 0.00 C ATOM 767 NH1 ARG A 51 -12.558 23.556 -11.130 1.00 0.00 N ATOM 768 NH2 ARG A 51 -12.816 25.159 -9.476 1.00 0.00 N ATOM 0 H ARG A 51 -7.421 20.971 -6.878 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.844 19.779 -7.481 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.603 20.880 -9.208 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.085 20.266 -9.914 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.549 22.124 -7.648 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.694 22.865 -8.986 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.472 22.148 -10.563 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.306 21.300 -9.276 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.162 23.815 -8.205 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.118 22.696 -11.459 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -13.229 24.044 -11.723 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.579 25.524 -8.553 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.488 25.653 -10.063 1.00 0.00 H new ATOM 782 N GLY A 52 -9.359 17.391 -7.930 1.00 0.00 N ATOM 783 CA GLY A 52 -9.180 15.999 -8.308 1.00 0.00 C ATOM 784 C GLY A 52 -9.825 15.065 -7.283 1.00 0.00 C ATOM 785 O GLY A 52 -9.975 15.427 -6.116 1.00 0.00 O ATOM 0 H GLY A 52 -10.185 17.576 -7.360 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.620 15.826 -9.290 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.117 15.775 -8.391 1.00 0.00 H new ATOM 789 N ASN A 53 -10.189 13.882 -7.754 1.00 0.00 N ATOM 790 CA ASN A 53 -10.814 12.893 -6.893 1.00 0.00 C ATOM 791 C ASN A 53 -10.090 12.866 -5.545 1.00 0.00 C ATOM 792 O ASN A 53 -8.862 12.820 -5.497 1.00 0.00 O ATOM 793 CB ASN A 53 -10.725 11.494 -7.505 1.00 0.00 C ATOM 794 CG ASN A 53 -12.000 11.151 -8.277 1.00 0.00 C ATOM 795 OD1 ASN A 53 -12.895 10.485 -7.784 1.00 0.00 O ATOM 796 ND2 ASN A 53 -12.032 11.642 -9.513 1.00 0.00 N ATOM 0 H ASN A 53 -10.063 13.586 -8.722 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.862 13.167 -6.771 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.865 11.439 -8.173 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.564 10.758 -6.717 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.841 11.468 -10.110 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.248 12.192 -9.864 1.00 0.00 H new ATOM 803 N THR A 54 -10.882 12.896 -4.483 1.00 0.00 N ATOM 804 CA THR A 54 -10.332 12.876 -3.138 1.00 0.00 C ATOM 805 C THR A 54 -11.454 12.758 -2.105 1.00 0.00 C ATOM 806 O THR A 54 -12.623 12.968 -2.426 1.00 0.00 O ATOM 807 CB THR A 54 -9.472 14.128 -2.961 1.00 0.00 C ATOM 808 OG1 THR A 54 -8.989 14.031 -1.623 1.00 0.00 O ATOM 809 CG2 THR A 54 -10.301 15.414 -2.966 1.00 0.00 C ATOM 0 H THR A 54 -11.900 12.934 -4.527 1.00 0.00 H new ATOM 0 HA THR A 54 -9.697 12.004 -2.983 1.00 0.00 H new ATOM 0 HB THR A 54 -8.729 14.173 -3.757 1.00 0.00 H new ATOM 0 HG1 THR A 54 -8.420 14.803 -1.424 1.00 0.00 H new ATOM 0 HG21 THR A 54 -9.642 16.272 -2.837 1.00 0.00 H new ATOM 0 HG22 THR A 54 -10.830 15.502 -3.915 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.023 15.385 -2.150 1.00 0.00 H new ATOM 817 N LYS A 55 -11.059 12.422 -0.886 1.00 0.00 N ATOM 818 CA LYS A 55 -12.017 12.274 0.197 1.00 0.00 C ATOM 819 C LYS A 55 -11.265 12.037 1.508 1.00 0.00 C ATOM 820 O LYS A 55 -11.316 10.943 2.069 1.00 0.00 O ATOM 821 CB LYS A 55 -13.035 11.180 -0.134 1.00 0.00 C ATOM 822 CG LYS A 55 -12.337 9.917 -0.642 1.00 0.00 C ATOM 823 CD LYS A 55 -13.357 8.840 -1.016 1.00 0.00 C ATOM 824 CE LYS A 55 -12.718 7.449 -0.996 1.00 0.00 C ATOM 825 NZ LYS A 55 -12.083 7.152 -2.300 1.00 0.00 N ATOM 0 H LYS A 55 -10.089 12.248 -0.624 1.00 0.00 H new ATOM 0 HA LYS A 55 -12.596 13.189 0.321 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.622 10.944 0.754 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.732 11.543 -0.889 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.724 10.160 -1.510 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.664 9.535 0.126 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.194 8.869 -0.319 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.760 9.045 -2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.974 7.396 -0.202 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.476 6.697 -0.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.654 6.205 -2.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.802 7.183 -3.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.346 7.859 -2.496 1.00 0.00 H new ATOM 839 N MET A 56 -10.585 13.081 1.960 1.00 0.00 N ATOM 840 CA MET A 56 -9.824 13.000 3.195 1.00 0.00 C ATOM 841 C MET A 56 -9.175 14.345 3.527 1.00 0.00 C ATOM 842 O MET A 56 -9.407 14.902 4.599 1.00 0.00 O ATOM 843 CB MET A 56 -8.739 11.930 3.057 1.00 0.00 C ATOM 844 CG MET A 56 -8.753 10.978 4.255 1.00 0.00 C ATOM 845 SD MET A 56 -8.053 9.403 3.791 1.00 0.00 S ATOM 846 CE MET A 56 -8.746 8.367 5.069 1.00 0.00 C ATOM 0 H MET A 56 -10.545 13.987 1.493 1.00 0.00 H new ATOM 0 HA MET A 56 -10.506 12.737 4.004 1.00 0.00 H new ATOM 0 HB2 MET A 56 -8.894 11.366 2.138 1.00 0.00 H new ATOM 0 HB3 MET A 56 -7.762 12.406 2.977 1.00 0.00 H new ATOM 0 HG2 MET A 56 -8.185 11.409 5.079 1.00 0.00 H new ATOM 0 HG3 MET A 56 -9.775 10.841 4.609 1.00 0.00 H new ATOM 0 HE1 MET A 56 -8.408 7.340 4.928 1.00 0.00 H new ATOM 0 HE2 MET A 56 -8.420 8.726 6.045 1.00 0.00 H new ATOM 0 HE3 MET A 56 -9.834 8.401 5.015 1.00 0.00 H new ATOM 856 N SER A 57 -8.374 14.828 2.589 1.00 0.00 N ATOM 857 CA SER A 57 -7.690 16.097 2.769 1.00 0.00 C ATOM 858 C SER A 57 -6.661 15.982 3.895 1.00 0.00 C ATOM 859 O SER A 57 -5.456 16.000 3.645 1.00 0.00 O ATOM 860 CB SER A 57 -8.683 17.220 3.071 1.00 0.00 C ATOM 861 OG SER A 57 -8.129 18.204 3.941 1.00 0.00 O ATOM 0 H SER A 57 -8.183 14.363 1.701 1.00 0.00 H new ATOM 0 HA SER A 57 -7.176 16.343 1.840 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.990 17.693 2.138 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.580 16.798 3.525 1.00 0.00 H new ATOM 0 HG SER A 57 -8.794 18.905 4.108 1.00 0.00 H new ATOM 867 N ILE A 58 -7.173 15.864 5.112 1.00 0.00 N ATOM 868 CA ILE A 58 -6.313 15.746 6.277 1.00 0.00 C ATOM 869 C ILE A 58 -5.188 16.778 6.183 1.00 0.00 C ATOM 870 O ILE A 58 -4.010 16.421 6.197 1.00 0.00 O ATOM 871 CB ILE A 58 -5.816 14.307 6.432 1.00 0.00 C ATOM 872 CG1 ILE A 58 -6.987 13.341 6.629 1.00 0.00 C ATOM 873 CG2 ILE A 58 -4.789 14.200 7.562 1.00 0.00 C ATOM 874 CD1 ILE A 58 -7.625 13.527 8.006 1.00 0.00 C ATOM 0 H ILE A 58 -8.172 15.848 5.316 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.872 15.966 7.187 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.312 14.019 5.510 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.734 13.506 5.853 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.638 12.314 6.522 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.452 13.167 7.651 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.936 14.842 7.341 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.246 14.514 8.500 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.454 12.829 8.120 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.882 13.337 8.780 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -7.995 14.548 8.101 1.00 0.00 H new ATOM 886 N HIS A 59 -5.589 18.037 6.088 1.00 0.00 N ATOM 887 CA HIS A 59 -4.629 19.124 5.992 1.00 0.00 C ATOM 888 C HIS A 59 -3.637 19.037 7.153 1.00 0.00 C ATOM 889 O HIS A 59 -4.030 19.105 8.317 1.00 0.00 O ATOM 890 CB HIS A 59 -5.343 20.475 5.922 1.00 0.00 C ATOM 891 CG HIS A 59 -4.585 21.531 5.154 1.00 0.00 C ATOM 892 ND1 HIS A 59 -5.193 22.661 4.634 1.00 0.00 N ATOM 893 CD2 HIS A 59 -3.264 21.618 4.824 1.00 0.00 C ATOM 894 CE1 HIS A 59 -4.270 23.387 4.020 1.00 0.00 C ATOM 895 NE2 HIS A 59 -3.076 22.739 4.139 1.00 0.00 N ATOM 0 H HIS A 59 -6.566 18.329 6.075 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.061 19.031 5.067 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -6.320 20.335 5.459 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -5.519 20.834 6.936 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.501 20.897 5.077 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -4.434 24.327 3.514 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -2.185 23.063 3.763 1.00 0.00 H new ATOM 903 N LEU A 60 -2.370 18.888 6.796 1.00 0.00 N ATOM 904 CA LEU A 60 -1.318 18.791 7.794 1.00 0.00 C ATOM 905 C LEU A 60 0.044 18.798 7.096 1.00 0.00 C ATOM 906 O LEU A 60 0.231 18.121 6.087 1.00 0.00 O ATOM 907 CB LEU A 60 -1.542 17.572 8.692 1.00 0.00 C ATOM 908 CG LEU A 60 -0.923 16.259 8.208 1.00 0.00 C ATOM 909 CD1 LEU A 60 -1.046 15.169 9.274 1.00 0.00 C ATOM 910 CD2 LEU A 60 -1.530 15.826 6.872 1.00 0.00 C ATOM 0 H LEU A 60 -2.048 18.832 5.830 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.342 19.656 8.457 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.143 17.796 9.681 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.616 17.423 8.808 1.00 0.00 H new ATOM 0 HG LEU A 60 0.141 16.425 8.039 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.598 14.246 8.904 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.529 15.486 10.180 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.099 14.997 9.499 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.073 14.890 6.551 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.604 15.683 6.990 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.346 16.596 6.122 1.00 0.00 H new ATOM 922 N ILE A 61 0.959 19.571 7.663 1.00 0.00 N ATOM 923 CA ILE A 61 2.297 19.675 7.107 1.00 0.00 C ATOM 924 C ILE A 61 2.223 19.561 5.584 1.00 0.00 C ATOM 925 O ILE A 61 2.407 18.478 5.029 1.00 0.00 O ATOM 926 CB ILE A 61 3.228 18.650 7.757 1.00 0.00 C ATOM 927 CG1 ILE A 61 2.651 17.237 7.645 1.00 0.00 C ATOM 928 CG2 ILE A 61 3.537 19.029 9.207 1.00 0.00 C ATOM 929 CD1 ILE A 61 3.766 16.189 7.624 1.00 0.00 C ATOM 0 H ILE A 61 0.800 20.131 8.501 1.00 0.00 H new ATOM 0 HA ILE A 61 2.728 20.650 7.332 1.00 0.00 H new ATOM 0 HB ILE A 61 4.174 18.657 7.215 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.983 17.046 8.485 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.053 17.155 6.737 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.201 18.283 9.644 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.021 20.005 9.233 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.610 19.069 9.778 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.329 15.194 7.544 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.418 16.369 6.769 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.347 16.257 8.544 1.00 0.00 H new ATOM 941 N HIS A 62 1.954 20.692 4.949 1.00 0.00 N ATOM 942 CA HIS A 62 1.853 20.732 3.500 1.00 0.00 C ATOM 943 C HIS A 62 2.950 19.861 2.885 1.00 0.00 C ATOM 944 O HIS A 62 2.771 19.301 1.805 1.00 0.00 O ATOM 945 CB HIS A 62 1.889 22.175 2.993 1.00 0.00 C ATOM 946 CG HIS A 62 1.110 22.397 1.718 1.00 0.00 C ATOM 947 ND1 HIS A 62 0.798 23.658 1.241 1.00 0.00 N ATOM 948 CD2 HIS A 62 0.585 21.507 0.828 1.00 0.00 C ATOM 949 CE1 HIS A 62 0.115 23.521 0.113 1.00 0.00 C ATOM 950 NE2 HIS A 62 -0.016 22.187 -0.140 1.00 0.00 N ATOM 0 H HIS A 62 1.803 21.588 5.412 1.00 0.00 H new ATOM 0 HA HIS A 62 0.893 20.322 3.187 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.493 22.832 3.768 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.927 22.466 2.828 1.00 0.00 H new ATOM 0 HD2 HIS A 62 0.648 20.431 0.899 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -0.270 24.324 -0.498 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.497 21.779 -0.942 1.00 0.00 H new ATOM 958 N MET A 63 4.062 19.773 3.600 1.00 0.00 N ATOM 959 CA MET A 63 5.188 18.979 3.139 1.00 0.00 C ATOM 960 C MET A 63 4.711 17.699 2.450 1.00 0.00 C ATOM 961 O MET A 63 5.144 17.388 1.341 1.00 0.00 O ATOM 962 CB MET A 63 6.080 18.617 4.328 1.00 0.00 C ATOM 963 CG MET A 63 6.865 19.836 4.816 1.00 0.00 C ATOM 964 SD MET A 63 6.921 19.852 6.601 1.00 0.00 S ATOM 965 CE MET A 63 8.553 19.181 6.865 1.00 0.00 C ATOM 0 H MET A 63 4.207 20.239 4.496 1.00 0.00 H new ATOM 0 HA MET A 63 5.752 19.569 2.417 1.00 0.00 H new ATOM 0 HB2 MET A 63 5.468 18.225 5.140 1.00 0.00 H new ATOM 0 HB3 MET A 63 6.772 17.826 4.040 1.00 0.00 H new ATOM 0 HG2 MET A 63 7.877 19.812 4.412 1.00 0.00 H new ATOM 0 HG3 MET A 63 6.397 20.750 4.450 1.00 0.00 H new ATOM 0 HE1 MET A 63 8.753 19.121 7.935 1.00 0.00 H new ATOM 0 HE2 MET A 63 8.611 18.184 6.429 1.00 0.00 H new ATOM 0 HE3 MET A 63 9.293 19.827 6.393 1.00 0.00 H new ATOM 975 N ARG A 64 3.824 16.992 3.135 1.00 0.00 N ATOM 976 CA ARG A 64 3.284 15.753 2.603 1.00 0.00 C ATOM 977 C ARG A 64 4.284 14.611 2.794 1.00 0.00 C ATOM 978 O ARG A 64 3.980 13.617 3.451 1.00 0.00 O ATOM 979 CB ARG A 64 2.954 15.890 1.115 1.00 0.00 C ATOM 980 CG ARG A 64 1.531 15.410 0.822 1.00 0.00 C ATOM 981 CD ARG A 64 0.620 16.584 0.460 1.00 0.00 C ATOM 982 NE ARG A 64 -0.654 16.082 -0.100 1.00 0.00 N ATOM 983 CZ ARG A 64 -1.814 16.774 -0.082 1.00 0.00 C ATOM 984 NH1 ARG A 64 -1.869 18.004 0.470 1.00 0.00 N ATOM 985 NH2 ARG A 64 -2.893 16.228 -0.612 1.00 0.00 N ATOM 0 H ARG A 64 3.466 17.254 4.054 1.00 0.00 H new ATOM 0 HA ARG A 64 2.367 15.531 3.148 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.060 16.931 0.810 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.665 15.311 0.526 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.547 14.692 0.002 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.132 14.891 1.693 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.424 17.189 1.345 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.116 17.230 -0.265 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.657 15.155 -0.526 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.031 18.418 0.878 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.749 18.520 0.479 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.843 15.297 -1.027 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.777 16.737 -0.607 1.00 0.00 H new ATOM 999 N VAL A 65 5.459 14.792 2.207 1.00 0.00 N ATOM 1000 CA VAL A 65 6.506 13.790 2.304 1.00 0.00 C ATOM 1001 C VAL A 65 6.535 13.225 3.726 1.00 0.00 C ATOM 1002 O VAL A 65 6.518 12.010 3.915 1.00 0.00 O ATOM 1003 CB VAL A 65 7.846 14.390 1.872 1.00 0.00 C ATOM 1004 CG1 VAL A 65 7.869 14.651 0.365 1.00 0.00 C ATOM 1005 CG2 VAL A 65 8.153 15.668 2.655 1.00 0.00 C ATOM 0 H VAL A 65 5.708 15.618 1.663 1.00 0.00 H new ATOM 0 HA VAL A 65 6.304 12.959 1.628 1.00 0.00 H new ATOM 0 HB VAL A 65 8.627 13.664 2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.832 15.077 0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.718 13.713 -0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.073 15.349 0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.111 16.074 2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.368 16.402 2.475 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.200 15.440 3.720 1.00 0.00 H new ATOM 1015 N ALA A 66 6.577 14.134 4.689 1.00 0.00 N ATOM 1016 CA ALA A 66 6.608 13.741 6.088 1.00 0.00 C ATOM 1017 C ALA A 66 5.498 12.722 6.352 1.00 0.00 C ATOM 1018 O ALA A 66 5.763 11.621 6.833 1.00 0.00 O ATOM 1019 CB ALA A 66 6.480 14.984 6.970 1.00 0.00 C ATOM 0 H ALA A 66 6.590 15.141 4.528 1.00 0.00 H new ATOM 0 HA ALA A 66 7.557 13.264 6.332 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.503 14.690 8.019 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.308 15.662 6.765 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.537 15.487 6.755 1.00 0.00 H new ATOM 1025 N ALA A 67 4.279 13.124 6.024 1.00 0.00 N ATOM 1026 CA ALA A 67 3.128 12.259 6.220 1.00 0.00 C ATOM 1027 C ALA A 67 3.401 10.900 5.572 1.00 0.00 C ATOM 1028 O ALA A 67 2.946 9.870 6.067 1.00 0.00 O ATOM 1029 CB ALA A 67 1.879 12.935 5.652 1.00 0.00 C ATOM 0 H ALA A 67 4.063 14.037 5.624 1.00 0.00 H new ATOM 0 HA ALA A 67 2.952 12.089 7.282 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.015 12.286 5.799 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.713 13.882 6.165 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.017 13.119 4.587 1.00 0.00 H new ATOM 1035 N GLN A 68 4.141 10.942 4.474 1.00 0.00 N ATOM 1036 CA GLN A 68 4.480 9.727 3.753 1.00 0.00 C ATOM 1037 C GLN A 68 5.425 8.860 4.587 1.00 0.00 C ATOM 1038 O GLN A 68 5.309 7.635 4.592 1.00 0.00 O ATOM 1039 CB GLN A 68 5.093 10.051 2.389 1.00 0.00 C ATOM 1040 CG GLN A 68 4.873 8.903 1.402 1.00 0.00 C ATOM 1041 CD GLN A 68 5.560 9.191 0.065 1.00 0.00 C ATOM 1042 OE1 GLN A 68 4.988 9.769 -0.844 1.00 0.00 O ATOM 1043 NE2 GLN A 68 6.815 8.756 -0.003 1.00 0.00 N ATOM 0 H GLN A 68 4.515 11.799 4.066 1.00 0.00 H new ATOM 0 HA GLN A 68 3.563 9.165 3.578 1.00 0.00 H new ATOM 0 HB2 GLN A 68 4.648 10.965 1.994 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.161 10.239 2.502 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.263 7.976 1.823 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.805 8.756 1.242 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.233 8.279 0.796 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.359 8.899 -0.854 1.00 0.00 H new ATOM 1052 N GLY A 69 6.339 9.530 5.274 1.00 0.00 N ATOM 1053 CA GLY A 69 7.304 8.836 6.110 1.00 0.00 C ATOM 1054 C GLY A 69 6.610 8.131 7.277 1.00 0.00 C ATOM 1055 O GLY A 69 6.883 6.963 7.553 1.00 0.00 O ATOM 0 H GLY A 69 6.432 10.546 5.269 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.850 8.106 5.512 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.036 9.547 6.493 1.00 0.00 H new ATOM 1059 N PHE A 70 5.726 8.869 7.933 1.00 0.00 N ATOM 1060 CA PHE A 70 4.992 8.329 9.064 1.00 0.00 C ATOM 1061 C PHE A 70 4.149 7.123 8.645 1.00 0.00 C ATOM 1062 O PHE A 70 4.213 6.068 9.274 1.00 0.00 O ATOM 1063 CB PHE A 70 4.062 9.437 9.564 1.00 0.00 C ATOM 1064 CG PHE A 70 3.679 9.309 11.039 1.00 0.00 C ATOM 1065 CD1 PHE A 70 4.511 9.788 12.002 1.00 0.00 C ATOM 1066 CD2 PHE A 70 2.505 8.716 11.388 1.00 0.00 C ATOM 1067 CE1 PHE A 70 4.155 9.669 13.372 1.00 0.00 C ATOM 1068 CE2 PHE A 70 2.149 8.598 12.757 1.00 0.00 C ATOM 1069 CZ PHE A 70 2.981 9.076 13.720 1.00 0.00 C ATOM 0 H PHE A 70 5.502 9.837 7.702 1.00 0.00 H new ATOM 0 HA PHE A 70 5.688 8.002 9.837 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.545 10.401 9.407 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.154 9.434 8.962 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.443 10.259 11.725 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.844 8.335 10.623 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.816 10.049 14.137 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.217 8.128 13.034 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.710 8.985 14.761 1.00 0.00 H new ATOM 1079 N VAL A 71 3.378 7.319 7.585 1.00 0.00 N ATOM 1080 CA VAL A 71 2.524 6.261 7.075 1.00 0.00 C ATOM 1081 C VAL A 71 3.387 5.064 6.671 1.00 0.00 C ATOM 1082 O VAL A 71 2.978 3.916 6.833 1.00 0.00 O ATOM 1083 CB VAL A 71 1.663 6.791 5.927 1.00 0.00 C ATOM 1084 CG1 VAL A 71 0.812 5.675 5.318 1.00 0.00 C ATOM 1085 CG2 VAL A 71 0.786 7.956 6.392 1.00 0.00 C ATOM 0 H VAL A 71 3.327 8.195 7.066 1.00 0.00 H new ATOM 0 HA VAL A 71 1.836 5.920 7.849 1.00 0.00 H new ATOM 0 HB VAL A 71 2.332 7.163 5.151 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.210 6.079 4.504 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.463 4.890 4.932 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.156 5.259 6.083 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.184 8.314 5.557 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.130 7.620 7.195 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.419 8.765 6.756 1.00 0.00 H new ATOM 1095 N VAL A 72 4.567 5.374 6.153 1.00 0.00 N ATOM 1096 CA VAL A 72 5.492 4.339 5.725 1.00 0.00 C ATOM 1097 C VAL A 72 5.877 3.476 6.927 1.00 0.00 C ATOM 1098 O VAL A 72 5.859 2.248 6.846 1.00 0.00 O ATOM 1099 CB VAL A 72 6.700 4.971 5.031 1.00 0.00 C ATOM 1100 CG1 VAL A 72 7.919 4.049 5.105 1.00 0.00 C ATOM 1101 CG2 VAL A 72 6.373 5.331 3.580 1.00 0.00 C ATOM 0 H VAL A 72 4.903 6.328 6.020 1.00 0.00 H new ATOM 0 HA VAL A 72 5.020 3.684 4.993 1.00 0.00 H new ATOM 0 HB VAL A 72 6.944 5.893 5.558 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.764 4.522 4.604 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.173 3.864 6.149 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.690 3.103 4.615 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.249 5.778 3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.090 4.430 3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.547 6.042 3.559 1.00 0.00 H new ATOM 1111 N GLY A 73 6.215 4.151 8.016 1.00 0.00 N ATOM 1112 CA GLY A 73 6.604 3.461 9.234 1.00 0.00 C ATOM 1113 C GLY A 73 5.481 2.548 9.729 1.00 0.00 C ATOM 1114 O GLY A 73 5.712 1.375 10.021 1.00 0.00 O ATOM 0 H GLY A 73 6.227 5.169 8.080 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.503 2.872 9.051 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.852 4.190 10.006 1.00 0.00 H new ATOM 1118 N ALA A 74 4.288 3.119 9.808 1.00 0.00 N ATOM 1119 CA ALA A 74 3.128 2.371 10.263 1.00 0.00 C ATOM 1120 C ALA A 74 2.834 1.243 9.272 1.00 0.00 C ATOM 1121 O ALA A 74 2.327 0.191 9.657 1.00 0.00 O ATOM 1122 CB ALA A 74 1.942 3.322 10.433 1.00 0.00 C ATOM 0 H ALA A 74 4.099 4.091 9.564 1.00 0.00 H new ATOM 0 HA ALA A 74 3.321 1.915 11.234 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.072 2.761 10.774 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.192 4.087 11.168 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.716 3.796 9.478 1.00 0.00 H new ATOM 1128 N MET A 75 3.163 1.502 8.015 1.00 0.00 N ATOM 1129 CA MET A 75 2.940 0.522 6.966 1.00 0.00 C ATOM 1130 C MET A 75 3.893 -0.666 7.113 1.00 0.00 C ATOM 1131 O MET A 75 3.477 -1.818 7.004 1.00 0.00 O ATOM 1132 CB MET A 75 3.150 1.179 5.600 1.00 0.00 C ATOM 1133 CG MET A 75 2.621 0.287 4.475 1.00 0.00 C ATOM 1134 SD MET A 75 0.836 0.302 4.473 1.00 0.00 S ATOM 1135 CE MET A 75 0.512 -1.347 3.871 1.00 0.00 C ATOM 0 H MET A 75 3.582 2.377 7.699 1.00 0.00 H new ATOM 0 HA MET A 75 1.917 0.155 7.049 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.642 2.143 5.574 1.00 0.00 H new ATOM 0 HB3 MET A 75 4.211 1.374 5.446 1.00 0.00 H new ATOM 0 HG2 MET A 75 2.997 0.638 3.514 1.00 0.00 H new ATOM 0 HG3 MET A 75 2.984 -0.732 4.606 1.00 0.00 H new ATOM 0 HE1 MET A 75 -0.436 -1.358 3.333 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.314 -1.653 3.200 1.00 0.00 H new ATOM 0 HE3 MET A 75 0.459 -2.038 4.713 1.00 0.00 H new ATOM 1145 N THR A 76 5.155 -0.344 7.360 1.00 0.00 N ATOM 1146 CA THR A 76 6.170 -1.370 7.524 1.00 0.00 C ATOM 1147 C THR A 76 5.835 -2.266 8.718 1.00 0.00 C ATOM 1148 O THR A 76 5.799 -3.489 8.590 1.00 0.00 O ATOM 1149 CB THR A 76 7.528 -0.676 7.648 1.00 0.00 C ATOM 1150 OG1 THR A 76 7.375 0.190 8.769 1.00 0.00 O ATOM 1151 CG2 THR A 76 7.809 0.273 6.481 1.00 0.00 C ATOM 0 H THR A 76 5.497 0.613 7.450 1.00 0.00 H new ATOM 0 HA THR A 76 6.205 -2.033 6.660 1.00 0.00 H new ATOM 0 HB THR A 76 8.315 -1.428 7.703 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.441 0.478 8.835 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.785 0.739 6.618 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.803 -0.288 5.546 1.00 0.00 H new ATOM 0 HG23 THR A 76 7.040 1.045 6.446 1.00 0.00 H new ATOM 1159 N VAL A 77 5.599 -1.623 9.852 1.00 0.00 N ATOM 1160 CA VAL A 77 5.268 -2.347 11.067 1.00 0.00 C ATOM 1161 C VAL A 77 3.983 -3.148 10.845 1.00 0.00 C ATOM 1162 O VAL A 77 3.934 -4.342 11.134 1.00 0.00 O ATOM 1163 CB VAL A 77 5.170 -1.375 12.245 1.00 0.00 C ATOM 1164 CG1 VAL A 77 6.516 -0.696 12.508 1.00 0.00 C ATOM 1165 CG2 VAL A 77 4.070 -0.338 12.011 1.00 0.00 C ATOM 0 H VAL A 77 5.630 -0.609 9.955 1.00 0.00 H new ATOM 0 HA VAL A 77 6.056 -3.058 11.314 1.00 0.00 H new ATOM 0 HB VAL A 77 4.905 -1.950 13.132 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.419 -0.010 13.350 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.266 -1.452 12.740 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.823 -0.141 11.621 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.022 0.340 12.863 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.292 0.230 11.107 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.112 -0.844 11.895 1.00 0.00 H new ATOM 1175 N GLY A 78 2.974 -2.458 10.334 1.00 0.00 N ATOM 1176 CA GLY A 78 1.693 -3.089 10.070 1.00 0.00 C ATOM 1177 C GLY A 78 1.865 -4.334 9.197 1.00 0.00 C ATOM 1178 O GLY A 78 1.294 -5.384 9.487 1.00 0.00 O ATOM 0 H GLY A 78 3.018 -1.467 10.096 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.218 -3.364 11.012 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.030 -2.381 9.573 1.00 0.00 H new ATOM 1182 N MET A 79 2.654 -4.175 8.144 1.00 0.00 N ATOM 1183 CA MET A 79 2.908 -5.273 7.227 1.00 0.00 C ATOM 1184 C MET A 79 3.638 -6.418 7.932 1.00 0.00 C ATOM 1185 O MET A 79 3.225 -7.573 7.839 1.00 0.00 O ATOM 1186 CB MET A 79 3.754 -4.773 6.054 1.00 0.00 C ATOM 1187 CG MET A 79 2.871 -4.176 4.957 1.00 0.00 C ATOM 1188 SD MET A 79 1.822 -5.442 4.261 1.00 0.00 S ATOM 1189 CE MET A 79 1.156 -4.557 2.860 1.00 0.00 C ATOM 0 H MET A 79 3.126 -3.302 7.906 1.00 0.00 H new ATOM 0 HA MET A 79 1.951 -5.647 6.863 1.00 0.00 H new ATOM 0 HB2 MET A 79 4.462 -4.022 6.405 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.340 -5.597 5.646 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.261 -3.372 5.368 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.493 -3.738 4.176 1.00 0.00 H new ATOM 0 HE1 MET A 79 0.989 -5.252 2.037 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.211 -4.091 3.140 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.861 -3.787 2.547 1.00 0.00 H new ATOM 1199 N GLY A 80 4.712 -6.059 8.620 1.00 0.00 N ATOM 1200 CA GLY A 80 5.503 -7.042 9.340 1.00 0.00 C ATOM 1201 C GLY A 80 4.614 -7.927 10.215 1.00 0.00 C ATOM 1202 O GLY A 80 4.807 -9.141 10.274 1.00 0.00 O ATOM 0 H GLY A 80 5.053 -5.100 8.694 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.053 -7.661 8.631 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.242 -6.535 9.961 1.00 0.00 H new ATOM 1206 N TYR A 81 3.659 -7.286 10.872 1.00 0.00 N ATOM 1207 CA TYR A 81 2.739 -8.000 11.742 1.00 0.00 C ATOM 1208 C TYR A 81 1.582 -8.600 10.941 1.00 0.00 C ATOM 1209 O TYR A 81 0.912 -9.521 11.406 1.00 0.00 O ATOM 1210 CB TYR A 81 2.185 -6.959 12.716 1.00 0.00 C ATOM 1211 CG TYR A 81 2.942 -6.883 14.043 1.00 0.00 C ATOM 1212 CD1 TYR A 81 2.739 -7.847 15.009 1.00 0.00 C ATOM 1213 CD2 TYR A 81 3.827 -5.850 14.274 1.00 0.00 C ATOM 1214 CE1 TYR A 81 3.452 -7.776 16.258 1.00 0.00 C ATOM 1215 CE2 TYR A 81 4.540 -5.778 15.523 1.00 0.00 C ATOM 1216 CZ TYR A 81 4.317 -6.745 16.454 1.00 0.00 C ATOM 1217 OH TYR A 81 4.990 -6.677 17.634 1.00 0.00 O ATOM 0 H TYR A 81 3.502 -6.280 10.820 1.00 0.00 H new ATOM 0 HA TYR A 81 3.249 -8.818 12.251 1.00 0.00 H new ATOM 0 HB2 TYR A 81 2.211 -5.980 12.238 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.139 -7.187 12.919 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.045 -8.655 14.828 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.985 -5.095 13.518 1.00 0.00 H new ATOM 0 HE1 TYR A 81 3.303 -8.525 17.022 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.236 -4.975 15.716 1.00 0.00 H new ATOM 0 HH TYR A 81 5.573 -5.889 17.633 1.00 0.00 H new ATOM 1227 N SER A 82 1.382 -8.053 9.751 1.00 0.00 N ATOM 1228 CA SER A 82 0.317 -8.522 8.881 1.00 0.00 C ATOM 1229 C SER A 82 -0.927 -8.853 9.708 1.00 0.00 C ATOM 1230 O SER A 82 -1.217 -10.022 9.959 1.00 0.00 O ATOM 1231 CB SER A 82 0.761 -9.745 8.077 1.00 0.00 C ATOM 1232 OG SER A 82 1.486 -9.380 6.906 1.00 0.00 O ATOM 0 H SER A 82 1.940 -7.289 9.369 1.00 0.00 H new ATOM 0 HA SER A 82 0.076 -7.726 8.176 1.00 0.00 H new ATOM 0 HB2 SER A 82 1.383 -10.384 8.704 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.114 -10.330 7.794 1.00 0.00 H new ATOM 0 HG SER A 82 2.223 -8.782 7.151 1.00 0.00 H new ATOM 1238 N MET A 83 -1.629 -7.803 10.109 1.00 0.00 N ATOM 1239 CA MET A 83 -2.834 -7.968 10.903 1.00 0.00 C ATOM 1240 C MET A 83 -2.589 -8.910 12.084 1.00 0.00 C ATOM 1241 O MET A 83 -3.228 -9.955 12.192 1.00 0.00 O ATOM 1242 CB MET A 83 -3.952 -8.532 10.024 1.00 0.00 C ATOM 1243 CG MET A 83 -4.807 -7.408 9.436 1.00 0.00 C ATOM 1244 SD MET A 83 -6.518 -7.642 9.886 1.00 0.00 S ATOM 1245 CE MET A 83 -6.862 -6.058 10.634 1.00 0.00 C ATOM 0 H MET A 83 -1.386 -6.835 9.899 1.00 0.00 H new ATOM 0 HA MET A 83 -3.124 -6.993 11.294 1.00 0.00 H new ATOM 0 HB2 MET A 83 -3.521 -9.126 9.218 1.00 0.00 H new ATOM 0 HB3 MET A 83 -4.580 -9.201 10.612 1.00 0.00 H new ATOM 0 HG2 MET A 83 -4.455 -6.443 9.802 1.00 0.00 H new ATOM 0 HG3 MET A 83 -4.707 -7.394 8.351 1.00 0.00 H new ATOM 0 HE1 MET A 83 -7.897 -6.033 10.973 1.00 0.00 H new ATOM 0 HE2 MET A 83 -6.198 -5.905 11.484 1.00 0.00 H new ATOM 0 HE3 MET A 83 -6.701 -5.267 9.901 1.00 0.00 H new ATOM 1255 N TYR A 84 -1.662 -8.505 12.939 1.00 0.00 N ATOM 1256 CA TYR A 84 -1.324 -9.300 14.108 1.00 0.00 C ATOM 1257 C TYR A 84 -0.959 -10.732 13.711 1.00 0.00 C ATOM 1258 O TYR A 84 -1.832 -11.523 13.355 1.00 0.00 O ATOM 1259 CB TYR A 84 -2.583 -9.330 14.976 1.00 0.00 C ATOM 1260 CG TYR A 84 -2.862 -8.018 15.713 1.00 0.00 C ATOM 1261 CD1 TYR A 84 -3.550 -7.003 15.080 1.00 0.00 C ATOM 1262 CD2 TYR A 84 -2.425 -7.850 17.012 1.00 0.00 C ATOM 1263 CE1 TYR A 84 -3.812 -5.769 15.774 1.00 0.00 C ATOM 1264 CE2 TYR A 84 -2.687 -6.615 17.705 1.00 0.00 C ATOM 1265 CZ TYR A 84 -3.367 -5.636 17.052 1.00 0.00 C ATOM 1266 OH TYR A 84 -3.615 -4.470 17.707 1.00 0.00 O ATOM 0 H TYR A 84 -1.134 -7.637 12.846 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.467 -8.872 14.628 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -3.440 -9.571 14.347 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.489 -10.133 15.707 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.892 -7.134 14.064 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.887 -8.644 17.508 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -4.350 -4.967 15.290 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -2.351 -6.470 18.721 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.240 -4.517 18.611 1.00 0.00 H new ATOM 1276 N ARG A 85 0.331 -11.022 13.785 1.00 0.00 N ATOM 1277 CA ARG A 85 0.822 -12.345 13.437 1.00 0.00 C ATOM 1278 C ARG A 85 -0.149 -13.419 13.933 1.00 0.00 C ATOM 1279 O ARG A 85 -0.700 -13.305 15.026 1.00 0.00 O ATOM 1280 CB ARG A 85 2.203 -12.597 14.044 1.00 0.00 C ATOM 1281 CG ARG A 85 3.260 -12.767 12.951 1.00 0.00 C ATOM 1282 CD ARG A 85 3.767 -14.210 12.898 1.00 0.00 C ATOM 1283 NE ARG A 85 5.157 -14.277 13.403 1.00 0.00 N ATOM 1284 CZ ARG A 85 5.780 -15.421 13.756 1.00 0.00 C ATOM 1285 NH1 ARG A 85 5.140 -16.607 13.661 1.00 0.00 N ATOM 1286 NH2 ARG A 85 7.024 -15.364 14.194 1.00 0.00 N ATOM 0 H ARG A 85 1.052 -10.364 14.081 1.00 0.00 H new ATOM 0 HA ARG A 85 0.900 -12.394 12.351 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.476 -11.765 14.693 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.173 -13.491 14.667 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.837 -12.491 11.985 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.094 -12.091 13.139 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.122 -14.853 13.497 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.725 -14.582 11.874 1.00 0.00 H new ATOM 0 HE ARG A 85 5.677 -13.404 13.490 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.179 -16.642 13.321 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.618 -17.467 13.930 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.500 -14.464 14.262 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.509 -16.219 14.465 1.00 0.00 H new ATOM 1300 N GLU A 86 -0.329 -14.436 13.104 1.00 0.00 N ATOM 1301 CA GLU A 86 -1.224 -15.529 13.444 1.00 0.00 C ATOM 1302 C GLU A 86 -2.677 -15.050 13.427 1.00 0.00 C ATOM 1303 O GLU A 86 -3.451 -15.370 14.328 1.00 0.00 O ATOM 1304 CB GLU A 86 -0.862 -16.132 14.803 1.00 0.00 C ATOM 1305 CG GLU A 86 -0.116 -17.458 14.633 1.00 0.00 C ATOM 1306 CD GLU A 86 -1.096 -18.619 14.452 1.00 0.00 C ATOM 1307 OE1 GLU A 86 -1.519 -18.792 13.246 1.00 0.00 O ATOM 1308 OE2 GLU A 86 -1.427 -19.309 15.428 1.00 0.00 O ATOM 0 H GLU A 86 0.130 -14.526 12.197 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.111 -16.312 12.694 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.242 -15.431 15.363 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.768 -16.293 15.387 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.546 -17.399 13.769 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.512 -17.640 15.505 1.00 0.00 H new ATOM 1315 N PHE A 87 -3.005 -14.292 12.391 1.00 0.00 N ATOM 1316 CA PHE A 87 -4.351 -13.766 12.244 1.00 0.00 C ATOM 1317 C PHE A 87 -5.352 -14.890 11.968 1.00 0.00 C ATOM 1318 O PHE A 87 -5.093 -15.767 11.145 1.00 0.00 O ATOM 1319 CB PHE A 87 -4.331 -12.811 11.049 1.00 0.00 C ATOM 1320 CG PHE A 87 -4.204 -13.512 9.695 1.00 0.00 C ATOM 1321 CD1 PHE A 87 -5.280 -14.143 9.152 1.00 0.00 C ATOM 1322 CD2 PHE A 87 -3.016 -13.505 9.034 1.00 0.00 C ATOM 1323 CE1 PHE A 87 -5.162 -14.794 7.896 1.00 0.00 C ATOM 1324 CE2 PHE A 87 -2.898 -14.155 7.777 1.00 0.00 C ATOM 1325 CZ PHE A 87 -3.974 -14.786 7.235 1.00 0.00 C ATOM 0 H PHE A 87 -2.361 -14.030 11.645 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.655 -13.262 13.161 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.246 -12.218 11.055 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.500 -12.116 11.166 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.224 -14.149 9.677 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.161 -13.005 9.465 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.016 -15.296 7.466 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.954 -14.148 7.252 1.00 0.00 H new ATOM 0 HZ PHE A 87 -3.885 -15.281 6.279 1.00 0.00 H new ATOM 1335 N TRP A 88 -6.473 -14.826 12.670 1.00 0.00 N ATOM 1336 CA TRP A 88 -7.514 -15.828 12.510 1.00 0.00 C ATOM 1337 C TRP A 88 -7.769 -16.011 11.013 1.00 0.00 C ATOM 1338 O TRP A 88 -7.390 -17.028 10.435 1.00 0.00 O ATOM 1339 CB TRP A 88 -8.773 -15.439 13.288 1.00 0.00 C ATOM 1340 CG TRP A 88 -9.359 -16.573 14.132 1.00 0.00 C ATOM 1341 CD1 TRP A 88 -8.882 -17.079 15.277 1.00 0.00 C ATOM 1342 CD2 TRP A 88 -10.557 -17.325 13.848 1.00 0.00 C ATOM 1343 NE1 TRP A 88 -9.683 -18.099 15.751 1.00 0.00 N ATOM 1344 CE2 TRP A 88 -10.734 -18.253 14.854 1.00 0.00 C ATOM 1345 CE3 TRP A 88 -11.462 -17.225 12.777 1.00 0.00 C ATOM 1346 CZ2 TRP A 88 -11.807 -19.151 14.889 1.00 0.00 C ATOM 1347 CZ3 TRP A 88 -12.529 -18.130 12.826 1.00 0.00 C ATOM 1348 CH2 TRP A 88 -12.721 -19.070 13.832 1.00 0.00 C ATOM 0 H TRP A 88 -6.684 -14.096 13.351 1.00 0.00 H new ATOM 0 HA TRP A 88 -7.197 -16.784 12.928 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -8.539 -14.598 13.941 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -9.531 -15.095 12.584 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -7.984 -16.733 15.767 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -9.532 -18.640 16.602 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -11.344 -16.507 11.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -11.923 -19.868 15.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -13.254 -18.095 12.026 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -13.572 -19.735 13.798 1.00 0.00 H new ATOM 1359 N ALA A 89 -8.409 -15.009 10.427 1.00 0.00 N ATOM 1360 CA ALA A 89 -8.718 -15.047 9.008 1.00 0.00 C ATOM 1361 C ALA A 89 -9.039 -13.631 8.523 1.00 0.00 C ATOM 1362 O ALA A 89 -9.064 -12.691 9.315 1.00 0.00 O ATOM 1363 CB ALA A 89 -9.871 -16.022 8.762 1.00 0.00 C ATOM 0 H ALA A 89 -8.722 -14.166 10.909 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.861 -15.405 8.438 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.103 -16.050 7.697 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.583 -17.018 9.097 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.750 -15.693 9.316 1.00 0.00 H new ATOM 1369 N LYS A 90 -9.275 -13.525 7.224 1.00 0.00 N ATOM 1370 CA LYS A 90 -9.593 -12.241 6.623 1.00 0.00 C ATOM 1371 C LYS A 90 -10.998 -11.815 7.055 1.00 0.00 C ATOM 1372 O LYS A 90 -11.831 -12.656 7.386 1.00 0.00 O ATOM 1373 CB LYS A 90 -9.406 -12.297 5.106 1.00 0.00 C ATOM 1374 CG LYS A 90 -10.542 -13.079 4.443 1.00 0.00 C ATOM 1375 CD LYS A 90 -10.007 -14.312 3.713 1.00 0.00 C ATOM 1376 CE LYS A 90 -11.051 -15.430 3.685 1.00 0.00 C ATOM 1377 NZ LYS A 90 -11.673 -15.525 2.346 1.00 0.00 N ATOM 0 H LYS A 90 -9.252 -14.308 6.570 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.904 -11.474 6.976 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.372 -11.285 4.702 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.451 -12.766 4.871 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.266 -13.385 5.198 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.069 -12.435 3.739 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.730 -14.043 2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.102 -14.667 4.207 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.582 -16.380 3.943 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.818 -15.239 4.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.079 -16.474 2.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.425 -14.812 2.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.952 -15.356 1.616 1.00 0.00 H new ATOM 1391 N PRO A 91 -11.223 -10.473 7.036 1.00 0.00 N ATOM 1392 CA PRO A 91 -12.512 -9.926 7.422 1.00 0.00 C ATOM 1393 C PRO A 91 -13.553 -10.150 6.323 1.00 0.00 C ATOM 1394 O PRO A 91 -14.148 -9.197 5.823 1.00 0.00 O ATOM 1395 CB PRO A 91 -12.248 -8.454 7.698 1.00 0.00 C ATOM 1396 CG PRO A 91 -10.929 -8.132 7.013 1.00 0.00 C ATOM 1397 CD PRO A 91 -10.259 -9.447 6.650 1.00 0.00 C ATOM 0 HA PRO A 91 -12.930 -10.414 8.302 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -13.053 -7.833 7.307 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -12.189 -8.262 8.769 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -11.100 -7.531 6.120 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -10.289 -7.547 7.673 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -10.034 -9.496 5.585 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -9.315 -9.570 7.181 1.00 0.00 H new ATOM 1405 N LYS A 92 -13.742 -11.416 5.981 1.00 0.00 N ATOM 1406 CA LYS A 92 -14.701 -11.778 4.951 1.00 0.00 C ATOM 1407 C LYS A 92 -14.807 -13.302 4.871 1.00 0.00 C ATOM 1408 O LYS A 92 -14.051 -13.943 4.143 1.00 0.00 O ATOM 1409 CB LYS A 92 -14.334 -11.116 3.621 1.00 0.00 C ATOM 1410 CG LYS A 92 -15.379 -11.427 2.547 1.00 0.00 C ATOM 1411 CD LYS A 92 -16.305 -10.230 2.322 1.00 0.00 C ATOM 1412 CE LYS A 92 -17.604 -10.663 1.639 1.00 0.00 C ATOM 1413 NZ LYS A 92 -18.737 -9.834 2.108 1.00 0.00 N ATOM 0 H LYS A 92 -13.247 -12.204 6.399 1.00 0.00 H new ATOM 0 HA LYS A 92 -15.692 -11.403 5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -14.257 -10.037 3.757 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -13.355 -11.467 3.294 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -14.880 -11.686 1.613 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -15.967 -12.295 2.846 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -16.532 -9.757 3.277 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -15.799 -9.484 1.709 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -17.501 -10.571 0.558 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -17.801 -11.714 1.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -19.611 -10.141 1.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -18.844 -9.942 3.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -18.553 -8.836 1.882 1.00 0.00 H new ATOM 1427 N PRO A 93 -15.775 -13.852 5.651 1.00 0.00 N ATOM 1428 CA PRO A 93 -15.990 -15.289 5.676 1.00 0.00 C ATOM 1429 C PRO A 93 -16.698 -15.760 4.404 1.00 0.00 C ATOM 1430 O PRO A 93 -16.722 -15.046 3.402 1.00 0.00 O ATOM 1431 CB PRO A 93 -16.800 -15.544 6.936 1.00 0.00 C ATOM 1432 CG PRO A 93 -17.405 -14.204 7.321 1.00 0.00 C ATOM 1433 CD PRO A 93 -16.689 -13.124 6.527 1.00 0.00 C ATOM 0 HA PRO A 93 -15.058 -15.853 5.697 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -17.578 -16.287 6.757 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -16.168 -15.931 7.735 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -18.473 -14.191 7.105 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -17.294 -14.028 8.391 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.393 -12.522 5.952 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -16.149 -12.442 7.184 1.00 0.00 H new TER 1441 PRO A 93