USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 758 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 63 HIS HE2 : A 63 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 30 HIS : no HE2:sc= -9.3! C(o=-9.9!,f=-10!) USER MOD Set 1.2: A 61 SER OG : rot -130:sc= -0.565 USER MOD Single : A 1 GLY N :NH3+ -172:sc= -0.115 (180deg=-0.123) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -59:sc= 0.368 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 11 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.51) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.053 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN :FLIP amide:sc= -2.81! C(o=-3.5!,f=-2.8!) USER MOD Single : A 23 LYS NZ :NH3+ 158:sc= -0.0018 (180deg=-0.425) USER MOD Single : A 24 HIS : no HE2:sc= -4.22! C(o=-4.2!,f=-5.8!) USER MOD Single : A 26 ASN : amide:sc= -0.546 K(o=-0.55,f=-1.2) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0167) USER MOD Single : A 40 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 ASN : amide:sc= -0.197 K(o=-0.2,f=-1.5!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.0139 X(o=-0.014,f=-0.34) USER MOD Single : A 57 THR OG1 : rot 110:sc= -0.893 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot -160:sc= -0.73 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.281 USER MOD Single : A 79 LYS NZ :NH3+ -128:sc= -2.18 (180deg=-6.23!) USER MOD Single : A 80 MET CE :methyl 167:sc= 0 (180deg=-0.102) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.0306 X(o=-0.031,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.196 20.149 26.281 1.00 0.00 N ATOM 2 CA GLY A 1 1.598 19.261 27.260 1.00 0.00 C ATOM 3 C GLY A 1 1.794 17.798 26.913 1.00 0.00 C ATOM 4 O GLY A 1 1.340 16.914 27.639 1.00 0.00 O ATOM 0 H1 GLY A 1 2.154 21.128 26.629 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.188 19.878 26.127 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.675 20.078 25.384 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.032 19.460 28.240 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.532 19.474 27.335 1.00 0.00 H new ATOM 8 N SER A 2 2.471 17.542 25.798 1.00 0.00 N ATOM 9 CA SER A 2 2.722 16.177 25.352 1.00 0.00 C ATOM 10 C SER A 2 1.411 15.426 25.138 1.00 0.00 C ATOM 11 O SER A 2 0.808 14.923 26.087 1.00 0.00 O ATOM 12 CB SER A 2 3.586 15.435 26.374 1.00 0.00 C ATOM 13 OG SER A 2 4.789 14.973 25.784 1.00 0.00 O ATOM 0 H SER A 2 2.856 18.263 25.187 1.00 0.00 H new ATOM 0 HA SER A 2 3.254 16.223 24.402 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.817 16.097 27.209 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.029 14.591 26.781 1.00 0.00 H new ATOM 0 HG SER A 2 5.324 14.504 26.457 1.00 0.00 H new ATOM 19 N SER A 3 0.975 15.354 23.885 1.00 0.00 N ATOM 20 CA SER A 3 -0.266 14.669 23.545 1.00 0.00 C ATOM 21 C SER A 3 -0.188 13.190 23.911 1.00 0.00 C ATOM 22 O SER A 3 0.895 12.608 23.961 1.00 0.00 O ATOM 23 CB SER A 3 -0.565 14.821 22.052 1.00 0.00 C ATOM 24 OG SER A 3 -1.828 15.430 21.844 1.00 0.00 O ATOM 0 H SER A 3 1.463 15.762 23.088 1.00 0.00 H new ATOM 0 HA SER A 3 -1.073 15.126 24.118 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.214 15.421 21.581 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.546 13.842 21.573 1.00 0.00 H new ATOM 0 HG SER A 3 -1.995 15.517 20.882 1.00 0.00 H new ATOM 30 N GLY A 4 -1.345 12.588 24.167 1.00 0.00 N ATOM 31 CA GLY A 4 -1.387 11.182 24.526 1.00 0.00 C ATOM 32 C GLY A 4 -1.813 10.301 23.369 1.00 0.00 C ATOM 33 O GLY A 4 -1.107 10.198 22.365 1.00 0.00 O ATOM 0 H GLY A 4 -2.254 13.049 24.132 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.402 10.869 24.873 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.077 11.043 25.358 1.00 0.00 H new ATOM 37 N SER A 5 -2.970 9.661 23.509 1.00 0.00 N ATOM 38 CA SER A 5 -3.486 8.779 22.468 1.00 0.00 C ATOM 39 C SER A 5 -4.896 9.193 22.055 1.00 0.00 C ATOM 40 O SER A 5 -5.462 8.648 21.108 1.00 0.00 O ATOM 41 CB SER A 5 -3.491 7.329 22.956 1.00 0.00 C ATOM 42 OG SER A 5 -3.220 6.433 21.892 1.00 0.00 O ATOM 0 H SER A 5 -3.567 9.737 24.332 1.00 0.00 H new ATOM 0 HA SER A 5 -2.833 8.861 21.599 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.745 7.203 23.741 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.460 7.093 23.397 1.00 0.00 H new ATOM 0 HG SER A 5 -3.227 5.513 22.229 1.00 0.00 H new ATOM 48 N SER A 6 -5.455 10.162 22.774 1.00 0.00 N ATOM 49 CA SER A 6 -6.800 10.647 22.485 1.00 0.00 C ATOM 50 C SER A 6 -7.750 9.485 22.213 1.00 0.00 C ATOM 51 O SER A 6 -8.429 9.451 21.188 1.00 0.00 O ATOM 52 CB SER A 6 -6.776 11.594 21.284 1.00 0.00 C ATOM 53 OG SER A 6 -8.052 12.171 21.064 1.00 0.00 O ATOM 0 H SER A 6 -4.998 10.626 23.559 1.00 0.00 H new ATOM 0 HA SER A 6 -7.160 11.190 23.359 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.041 12.381 21.452 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.461 11.050 20.394 1.00 0.00 H new ATOM 0 HG SER A 6 -8.708 11.462 20.901 1.00 0.00 H new ATOM 59 N GLY A 7 -7.793 8.534 23.141 1.00 0.00 N ATOM 60 CA GLY A 7 -8.662 7.383 22.983 1.00 0.00 C ATOM 61 C GLY A 7 -9.376 7.015 24.269 1.00 0.00 C ATOM 62 O GLY A 7 -9.681 7.882 25.087 1.00 0.00 O ATOM 0 H GLY A 7 -7.242 8.540 23.999 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.400 7.592 22.208 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.074 6.531 22.641 1.00 0.00 H new ATOM 66 N MET A 8 -9.644 5.725 24.447 1.00 0.00 N ATOM 67 CA MET A 8 -10.327 5.245 25.643 1.00 0.00 C ATOM 68 C MET A 8 -9.336 5.016 26.780 1.00 0.00 C ATOM 69 O MET A 8 -8.168 4.694 26.562 1.00 0.00 O ATOM 70 CB MET A 8 -11.082 3.950 25.340 1.00 0.00 C ATOM 71 CG MET A 8 -12.464 4.176 24.749 1.00 0.00 C ATOM 72 SD MET A 8 -13.270 2.639 24.260 1.00 0.00 S ATOM 73 CE MET A 8 -13.346 2.847 22.483 1.00 0.00 C ATOM 0 H MET A 8 -9.399 4.994 23.779 1.00 0.00 H new ATOM 0 HA MET A 8 -11.040 6.008 25.955 1.00 0.00 H new ATOM 0 HB2 MET A 8 -10.493 3.350 24.647 1.00 0.00 H new ATOM 0 HB3 MET A 8 -11.179 3.372 26.259 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.087 4.692 25.479 1.00 0.00 H new ATOM 0 HG3 MET A 8 -12.381 4.830 23.881 1.00 0.00 H new ATOM 0 HE1 MET A 8 -13.821 1.974 22.035 1.00 0.00 H new ATOM 0 HE2 MET A 8 -13.927 3.738 22.246 1.00 0.00 H new ATOM 0 HE3 MET A 8 -12.337 2.955 22.086 1.00 0.00 H new ATOM 83 N PRO A 9 -9.811 5.185 28.023 1.00 0.00 N ATOM 84 CA PRO A 9 -8.983 5.001 29.218 1.00 0.00 C ATOM 85 C PRO A 9 -8.618 3.539 29.452 1.00 0.00 C ATOM 86 O PRO A 9 -9.227 2.637 28.877 1.00 0.00 O ATOM 87 CB PRO A 9 -9.875 5.517 30.351 1.00 0.00 C ATOM 88 CG PRO A 9 -11.265 5.350 29.843 1.00 0.00 C ATOM 89 CD PRO A 9 -11.193 5.569 28.357 1.00 0.00 C ATOM 0 HA PRO A 9 -8.029 5.522 29.136 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.718 4.950 31.268 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.660 6.561 30.581 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.647 4.355 30.073 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.940 6.067 30.311 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.920 4.956 27.825 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -11.397 6.607 28.093 1.00 0.00 H new ATOM 97 N THR A 10 -7.619 3.311 30.299 1.00 0.00 N ATOM 98 CA THR A 10 -7.173 1.959 30.608 1.00 0.00 C ATOM 99 C THR A 10 -7.392 1.630 32.080 1.00 0.00 C ATOM 100 O THR A 10 -8.176 2.287 32.763 1.00 0.00 O ATOM 101 CB THR A 10 -5.683 1.768 30.267 1.00 0.00 C ATOM 102 OG1 THR A 10 -4.868 2.253 31.340 1.00 0.00 O ATOM 103 CG2 THR A 10 -5.324 2.497 28.981 1.00 0.00 C ATOM 0 H THR A 10 -7.104 4.046 30.783 1.00 0.00 H new ATOM 0 HA THR A 10 -7.768 1.282 29.995 1.00 0.00 H new ATOM 0 HB THR A 10 -5.500 0.703 30.125 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.922 2.126 31.116 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.267 2.347 28.761 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.925 2.104 28.160 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.523 3.562 29.099 1.00 0.00 H new ATOM 111 N ASN A 11 -6.692 0.609 32.564 1.00 0.00 N ATOM 112 CA ASN A 11 -6.811 0.193 33.957 1.00 0.00 C ATOM 113 C ASN A 11 -5.560 -0.555 34.410 1.00 0.00 C ATOM 114 O ASN A 11 -5.132 -1.515 33.770 1.00 0.00 O ATOM 115 CB ASN A 11 -8.044 -0.693 34.143 1.00 0.00 C ATOM 116 CG ASN A 11 -8.679 -1.086 32.823 1.00 0.00 C ATOM 117 OD1 ASN A 11 -8.074 -1.793 32.017 1.00 0.00 O ATOM 118 ND2 ASN A 11 -9.904 -0.626 32.596 1.00 0.00 N ATOM 0 H ASN A 11 -6.037 0.055 32.013 1.00 0.00 H new ATOM 0 HA ASN A 11 -6.920 1.088 34.570 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.762 -1.593 34.689 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.778 -0.166 34.753 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.382 -0.856 31.725 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.367 -0.043 33.293 1.00 0.00 H new ATOM 125 N CYS A 12 -4.979 -0.108 35.518 1.00 0.00 N ATOM 126 CA CYS A 12 -3.778 -0.733 36.058 1.00 0.00 C ATOM 127 C CYS A 12 -3.945 -2.248 36.145 1.00 0.00 C ATOM 128 O CYS A 12 -4.690 -2.753 36.984 1.00 0.00 O ATOM 129 CB CYS A 12 -3.459 -0.164 37.442 1.00 0.00 C ATOM 130 SG CYS A 12 -2.083 -1.003 38.292 1.00 0.00 S ATOM 0 H CYS A 12 -5.321 0.686 36.060 1.00 0.00 H new ATOM 0 HA CYS A 12 -2.950 -0.514 35.383 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.218 0.894 37.341 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.351 -0.230 38.065 1.00 0.00 H new ATOM 135 N ALA A 13 -3.247 -2.966 35.271 1.00 0.00 N ATOM 136 CA ALA A 13 -3.316 -4.421 35.250 1.00 0.00 C ATOM 137 C ALA A 13 -3.487 -4.983 36.657 1.00 0.00 C ATOM 138 O ALA A 13 -4.281 -5.897 36.879 1.00 0.00 O ATOM 139 CB ALA A 13 -2.070 -5.000 34.596 1.00 0.00 C ATOM 0 H ALA A 13 -2.627 -2.563 34.568 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.188 -4.710 34.663 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.136 -6.088 34.587 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.992 -4.633 33.573 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.188 -4.694 35.159 1.00 0.00 H new ATOM 145 N ALA A 14 -2.735 -4.432 37.605 1.00 0.00 N ATOM 146 CA ALA A 14 -2.805 -4.877 38.991 1.00 0.00 C ATOM 147 C ALA A 14 -4.252 -5.017 39.451 1.00 0.00 C ATOM 148 O ALA A 14 -5.114 -4.228 39.066 1.00 0.00 O ATOM 149 CB ALA A 14 -2.052 -3.912 39.894 1.00 0.00 C ATOM 0 H ALA A 14 -2.070 -3.677 37.438 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.335 -5.858 39.055 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.113 -4.257 40.926 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.007 -3.867 39.587 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.496 -2.920 39.816 1.00 0.00 H new ATOM 155 N ALA A 15 -4.511 -6.025 40.277 1.00 0.00 N ATOM 156 CA ALA A 15 -5.853 -6.267 40.790 1.00 0.00 C ATOM 157 C ALA A 15 -6.179 -5.321 41.941 1.00 0.00 C ATOM 158 O ALA A 15 -7.162 -4.582 41.892 1.00 0.00 O ATOM 159 CB ALA A 15 -5.995 -7.714 41.237 1.00 0.00 C ATOM 0 H ALA A 15 -3.808 -6.688 40.605 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.563 -6.076 39.985 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.003 -7.880 41.618 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.814 -8.376 40.390 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.271 -7.925 42.024 1.00 0.00 H new ATOM 165 N GLY A 16 -5.348 -5.350 42.978 1.00 0.00 N ATOM 166 CA GLY A 16 -5.565 -4.491 44.128 1.00 0.00 C ATOM 167 C GLY A 16 -5.091 -3.072 43.889 1.00 0.00 C ATOM 168 O GLY A 16 -4.193 -2.585 44.577 1.00 0.00 O ATOM 0 H GLY A 16 -4.528 -5.953 43.043 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.627 -4.480 44.374 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.043 -4.905 44.991 1.00 0.00 H new ATOM 172 N CYS A 17 -5.693 -2.405 42.910 1.00 0.00 N ATOM 173 CA CYS A 17 -5.326 -1.033 42.580 1.00 0.00 C ATOM 174 C CYS A 17 -6.482 -0.310 41.895 1.00 0.00 C ATOM 175 O CYS A 17 -7.332 -0.937 41.263 1.00 0.00 O ATOM 176 CB CYS A 17 -4.092 -1.017 41.676 1.00 0.00 C ATOM 177 SG CYS A 17 -3.355 0.634 41.453 1.00 0.00 S ATOM 0 H CYS A 17 -6.438 -2.793 42.331 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.095 -0.512 43.509 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.340 -1.685 42.094 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.365 -1.416 40.699 1.00 0.00 H new ATOM 182 N ALA A 18 -6.506 1.012 42.025 1.00 0.00 N ATOM 183 CA ALA A 18 -7.556 1.820 41.417 1.00 0.00 C ATOM 184 C ALA A 18 -6.972 3.043 40.718 1.00 0.00 C ATOM 185 O ALA A 18 -7.580 4.114 40.706 1.00 0.00 O ATOM 186 CB ALA A 18 -8.571 2.245 42.468 1.00 0.00 C ATOM 0 H ALA A 18 -5.811 1.546 42.546 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.060 1.211 40.667 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.349 2.848 42.000 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.020 1.360 42.919 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.072 2.832 43.239 1.00 0.00 H new ATOM 192 N THR A 19 -5.787 2.878 40.137 1.00 0.00 N ATOM 193 CA THR A 19 -5.120 3.969 39.438 1.00 0.00 C ATOM 194 C THR A 19 -5.458 3.958 37.952 1.00 0.00 C ATOM 195 O THR A 19 -5.094 3.031 37.228 1.00 0.00 O ATOM 196 CB THR A 19 -3.591 3.891 39.606 1.00 0.00 C ATOM 197 OG1 THR A 19 -3.215 4.369 40.902 1.00 0.00 O ATOM 198 CG2 THR A 19 -2.887 4.710 38.534 1.00 0.00 C ATOM 0 H THR A 19 -5.270 1.999 40.137 1.00 0.00 H new ATOM 0 HA THR A 19 -5.480 4.897 39.882 1.00 0.00 H new ATOM 0 HB THR A 19 -3.289 2.849 39.502 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.242 4.314 41.001 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.808 4.640 38.673 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.152 4.325 37.549 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.196 5.752 38.611 1.00 0.00 H new ATOM 206 N THR A 20 -6.157 4.995 37.501 1.00 0.00 N ATOM 207 CA THR A 20 -6.545 5.104 36.100 1.00 0.00 C ATOM 208 C THR A 20 -6.344 6.524 35.583 1.00 0.00 C ATOM 209 O THR A 20 -5.444 6.782 34.784 1.00 0.00 O ATOM 210 CB THR A 20 -8.016 4.698 35.892 1.00 0.00 C ATOM 211 OG1 THR A 20 -8.879 5.607 36.584 1.00 0.00 O ATOM 212 CG2 THR A 20 -8.262 3.281 36.387 1.00 0.00 C ATOM 0 H THR A 20 -6.466 5.771 38.086 1.00 0.00 H new ATOM 0 HA THR A 20 -5.905 4.422 35.540 1.00 0.00 H new ATOM 0 HB THR A 20 -8.232 4.735 34.824 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.812 5.342 36.445 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.308 3.017 36.229 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.626 2.588 35.837 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.029 3.221 37.450 1.00 0.00 H new ATOM 220 N TYR A 21 -7.186 7.441 36.045 1.00 0.00 N ATOM 221 CA TYR A 21 -7.101 8.836 35.627 1.00 0.00 C ATOM 222 C TYR A 21 -6.318 9.662 36.643 1.00 0.00 C ATOM 223 O TYR A 21 -5.151 9.986 36.428 1.00 0.00 O ATOM 224 CB TYR A 21 -8.502 9.422 35.447 1.00 0.00 C ATOM 225 CG TYR A 21 -8.774 9.924 34.047 1.00 0.00 C ATOM 226 CD1 TYR A 21 -8.260 11.139 33.611 1.00 0.00 C ATOM 227 CD2 TYR A 21 -9.544 9.182 33.159 1.00 0.00 C ATOM 228 CE1 TYR A 21 -8.506 11.602 32.333 1.00 0.00 C ATOM 229 CE2 TYR A 21 -9.793 9.636 31.879 1.00 0.00 C ATOM 230 CZ TYR A 21 -9.273 10.846 31.470 1.00 0.00 C ATOM 231 OH TYR A 21 -9.521 11.302 30.196 1.00 0.00 O ATOM 0 H TYR A 21 -7.935 7.244 36.709 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.574 8.872 34.673 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.240 8.661 35.701 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.636 10.243 36.151 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.657 11.732 34.283 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.954 8.234 33.476 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.101 12.550 32.011 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -10.392 9.046 31.201 1.00 0.00 H new ATOM 0 HH TYR A 21 -10.075 10.651 29.718 1.00 0.00 H new ATOM 241 N ASN A 22 -6.970 9.999 37.751 1.00 0.00 N ATOM 242 CA ASN A 22 -6.337 10.787 38.801 1.00 0.00 C ATOM 243 C ASN A 22 -6.293 12.264 38.422 1.00 0.00 C ATOM 244 O ASN A 22 -6.636 13.133 39.223 1.00 0.00 O ATOM 245 CB ASN A 22 -4.919 10.276 39.067 1.00 0.00 C ATOM 246 CG ASN A 22 -4.792 8.782 38.839 1.00 0.00 C ATOM 247 OD1 ASN A 22 -3.721 8.376 38.166 1.00 0.00 O flip ATOM 248 ND2 ASN A 22 -5.645 8.003 39.262 1.00 0.00 N flip ATOM 0 H ASN A 22 -7.937 9.738 37.945 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.932 10.680 39.708 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.218 10.801 38.418 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.638 10.510 40.094 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.452 8.359 39.774 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.545 7.001 39.101 1.00 0.00 H new ATOM 255 N LYS A 23 -5.870 12.542 37.193 1.00 0.00 N ATOM 256 CA LYS A 23 -5.783 13.913 36.705 1.00 0.00 C ATOM 257 C LYS A 23 -4.510 14.588 37.204 1.00 0.00 C ATOM 258 O LYS A 23 -4.169 15.690 36.772 1.00 0.00 O ATOM 259 CB LYS A 23 -7.007 14.714 37.152 1.00 0.00 C ATOM 260 CG LYS A 23 -7.488 15.718 36.119 1.00 0.00 C ATOM 261 CD LYS A 23 -7.983 15.029 34.859 1.00 0.00 C ATOM 262 CE LYS A 23 -9.040 15.860 34.148 1.00 0.00 C ATOM 263 NZ LYS A 23 -8.693 17.308 34.136 1.00 0.00 N ATOM 0 H LYS A 23 -5.582 11.835 36.517 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.754 13.883 35.616 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.819 14.023 37.381 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.768 15.242 38.075 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.290 16.322 36.543 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.675 16.399 35.867 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.144 14.853 34.186 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.397 14.054 35.115 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.152 15.505 33.124 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.002 15.721 34.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.200 17.780 33.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.968 17.738 35.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.668 17.418 33.997 1.00 0.00 H new ATOM 277 N HIS A 24 -3.809 13.921 38.115 1.00 0.00 N ATOM 278 CA HIS A 24 -2.572 14.457 38.671 1.00 0.00 C ATOM 279 C HIS A 24 -1.636 13.330 39.101 1.00 0.00 C ATOM 280 O HIS A 24 -1.665 12.237 38.534 1.00 0.00 O ATOM 281 CB HIS A 24 -2.875 15.366 39.862 1.00 0.00 C ATOM 282 CG HIS A 24 -4.006 16.316 39.618 1.00 0.00 C ATOM 283 ND1 HIS A 24 -5.331 15.962 39.764 1.00 0.00 N ATOM 284 CD2 HIS A 24 -4.005 17.615 39.236 1.00 0.00 C ATOM 285 CE1 HIS A 24 -6.096 17.002 39.481 1.00 0.00 C ATOM 286 NE2 HIS A 24 -5.316 18.018 39.159 1.00 0.00 N ATOM 0 H HIS A 24 -4.076 13.008 38.484 1.00 0.00 H new ATOM 0 HA HIS A 24 -2.077 15.041 37.895 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.111 14.749 40.729 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -1.980 15.936 40.110 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -5.668 15.042 40.046 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.135 18.221 39.030 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.176 17.018 39.508 1.00 0.00 H new ATOM 294 N ILE A 25 -0.809 13.605 40.104 1.00 0.00 N ATOM 295 CA ILE A 25 0.133 12.614 40.609 1.00 0.00 C ATOM 296 C ILE A 25 1.344 12.489 39.690 1.00 0.00 C ATOM 297 O ILE A 25 1.277 12.828 38.509 1.00 0.00 O ATOM 298 CB ILE A 25 -0.529 11.232 40.758 1.00 0.00 C ATOM 299 CG1 ILE A 25 -1.987 11.385 41.193 1.00 0.00 C ATOM 300 CG2 ILE A 25 0.241 10.381 41.757 1.00 0.00 C ATOM 301 CD1 ILE A 25 -2.418 10.372 42.231 1.00 0.00 C ATOM 0 H ILE A 25 -0.772 14.505 40.583 1.00 0.00 H new ATOM 0 HA ILE A 25 0.458 12.959 41.590 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.509 10.730 39.791 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.135 12.388 41.593 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.630 11.293 40.318 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.239 9.407 41.852 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.265 10.248 41.409 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.249 10.877 42.727 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.463 10.541 42.492 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.303 9.366 41.828 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.800 10.479 43.122 1.00 0.00 H new ATOM 313 N ASN A 26 2.450 11.998 40.240 1.00 0.00 N ATOM 314 CA ASN A 26 3.676 11.826 39.470 1.00 0.00 C ATOM 315 C ASN A 26 3.799 10.396 38.954 1.00 0.00 C ATOM 316 O ASN A 26 4.823 10.016 38.385 1.00 0.00 O ATOM 317 CB ASN A 26 4.894 12.178 40.326 1.00 0.00 C ATOM 318 CG ASN A 26 5.592 10.947 40.872 1.00 0.00 C ATOM 319 OD1 ASN A 26 6.534 10.434 40.268 1.00 0.00 O ATOM 320 ND2 ASN A 26 5.130 10.467 42.021 1.00 0.00 N ATOM 0 H ASN A 26 2.522 11.712 41.216 1.00 0.00 H new ATOM 0 HA ASN A 26 3.635 12.499 38.614 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.599 12.757 39.730 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.581 12.813 41.155 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.559 9.640 42.438 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.347 10.925 42.487 1.00 0.00 H new ATOM 327 N ILE A 27 2.748 9.608 39.156 1.00 0.00 N ATOM 328 CA ILE A 27 2.738 8.220 38.710 1.00 0.00 C ATOM 329 C ILE A 27 2.947 8.126 37.202 1.00 0.00 C ATOM 330 O ILE A 27 2.328 8.860 36.432 1.00 0.00 O ATOM 331 CB ILE A 27 1.416 7.521 39.078 1.00 0.00 C ATOM 332 CG1 ILE A 27 1.369 7.229 40.579 1.00 0.00 C ATOM 333 CG2 ILE A 27 1.256 6.237 38.278 1.00 0.00 C ATOM 334 CD1 ILE A 27 0.303 6.228 40.967 1.00 0.00 C ATOM 0 H ILE A 27 1.893 9.907 39.625 1.00 0.00 H new ATOM 0 HA ILE A 27 3.560 7.718 39.220 1.00 0.00 H new ATOM 0 HB ILE A 27 0.589 8.186 38.830 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.341 6.854 40.899 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.194 8.161 41.117 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.317 5.754 38.549 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.250 6.470 37.213 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.086 5.566 38.498 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.328 6.070 42.045 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.677 6.609 40.679 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.489 5.283 40.457 1.00 0.00 H new ATOM 346 N SER A 28 3.822 7.216 36.787 1.00 0.00 N ATOM 347 CA SER A 28 4.115 7.026 35.372 1.00 0.00 C ATOM 348 C SER A 28 3.474 5.743 34.851 1.00 0.00 C ATOM 349 O SER A 28 2.845 5.000 35.605 1.00 0.00 O ATOM 350 CB SER A 28 5.627 6.982 35.143 1.00 0.00 C ATOM 351 OG SER A 28 6.255 8.143 35.660 1.00 0.00 O ATOM 0 H SER A 28 4.341 6.598 37.411 1.00 0.00 H new ATOM 0 HA SER A 28 3.696 7.870 34.824 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.045 6.096 35.620 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.834 6.897 34.076 1.00 0.00 H new ATOM 0 HG SER A 28 7.221 8.090 35.503 1.00 0.00 H new ATOM 357 N PHE A 29 3.637 5.491 33.557 1.00 0.00 N ATOM 358 CA PHE A 29 3.074 4.299 32.934 1.00 0.00 C ATOM 359 C PHE A 29 4.174 3.422 32.342 1.00 0.00 C ATOM 360 O PHE A 29 4.746 3.744 31.300 1.00 0.00 O ATOM 361 CB PHE A 29 2.076 4.691 31.842 1.00 0.00 C ATOM 362 CG PHE A 29 0.833 5.345 32.373 1.00 0.00 C ATOM 363 CD1 PHE A 29 0.912 6.503 33.130 1.00 0.00 C ATOM 364 CD2 PHE A 29 -0.416 4.802 32.115 1.00 0.00 C ATOM 365 CE1 PHE A 29 -0.231 7.106 33.620 1.00 0.00 C ATOM 366 CE2 PHE A 29 -1.562 5.401 32.603 1.00 0.00 C ATOM 367 CZ PHE A 29 -1.469 6.555 33.355 1.00 0.00 C ATOM 0 H PHE A 29 4.154 6.096 32.919 1.00 0.00 H new ATOM 0 HA PHE A 29 2.555 3.729 33.704 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.563 5.370 31.142 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.796 3.800 31.280 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.878 6.939 33.339 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.495 3.900 31.526 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.156 8.008 34.210 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.529 4.967 32.396 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.363 7.026 33.735 1.00 0.00 H new ATOM 377 N HIS A 30 4.465 2.314 33.015 1.00 0.00 N ATOM 378 CA HIS A 30 5.497 1.390 32.556 1.00 0.00 C ATOM 379 C HIS A 30 4.889 0.045 32.170 1.00 0.00 C ATOM 380 O HIS A 30 4.563 -0.770 33.034 1.00 0.00 O ATOM 381 CB HIS A 30 6.554 1.192 33.643 1.00 0.00 C ATOM 382 CG HIS A 30 7.610 2.254 33.651 1.00 0.00 C ATOM 383 ND1 HIS A 30 7.817 3.103 34.718 1.00 0.00 N ATOM 384 CD2 HIS A 30 8.524 2.600 32.715 1.00 0.00 C ATOM 385 CE1 HIS A 30 8.810 3.927 34.437 1.00 0.00 C ATOM 386 NE2 HIS A 30 9.257 3.642 33.227 1.00 0.00 N ATOM 0 H HIS A 30 4.002 2.034 33.879 1.00 0.00 H new ATOM 0 HA HIS A 30 5.970 1.821 31.674 1.00 0.00 H new ATOM 0 HB2 HIS A 30 6.063 1.172 34.616 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.028 0.220 33.505 1.00 0.00 H new ATOM 0 HD1 HIS A 30 7.286 3.096 35.589 1.00 0.00 H new ATOM 0 HD2 HIS A 30 8.653 2.142 31.746 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.192 4.702 35.086 1.00 0.00 H new ATOM 394 N ARG A 31 4.739 -0.180 30.869 1.00 0.00 N ATOM 395 CA ARG A 31 4.169 -1.425 30.370 1.00 0.00 C ATOM 396 C ARG A 31 4.990 -2.624 30.835 1.00 0.00 C ATOM 397 O ARG A 31 5.991 -2.471 31.535 1.00 0.00 O ATOM 398 CB ARG A 31 4.100 -1.403 28.842 1.00 0.00 C ATOM 399 CG ARG A 31 5.340 -1.967 28.168 1.00 0.00 C ATOM 400 CD ARG A 31 5.631 -1.259 26.853 1.00 0.00 C ATOM 401 NE ARG A 31 7.015 -1.445 26.426 1.00 0.00 N ATOM 402 CZ ARG A 31 7.473 -1.073 25.236 1.00 0.00 C ATOM 403 NH1 ARG A 31 6.661 -0.498 24.360 1.00 0.00 N ATOM 404 NH2 ARG A 31 8.745 -1.276 24.920 1.00 0.00 N ATOM 0 H ARG A 31 5.004 0.484 30.142 1.00 0.00 H new ATOM 0 HA ARG A 31 3.160 -1.520 30.771 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.229 -1.973 28.518 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.951 -0.376 28.508 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.196 -1.865 28.835 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.203 -3.033 27.986 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.960 -1.637 26.082 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.425 -0.194 26.961 1.00 0.00 H new ATOM 0 HE ARG A 31 7.666 -1.885 27.077 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.682 -0.340 24.599 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.015 -0.213 23.447 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.373 -1.718 25.591 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.095 -0.990 24.006 1.00 0.00 H new ATOM 418 N PHE A 32 4.560 -3.818 30.441 1.00 0.00 N ATOM 419 CA PHE A 32 5.254 -5.044 30.819 1.00 0.00 C ATOM 420 C PHE A 32 6.530 -5.220 30.001 1.00 0.00 C ATOM 421 O PHE A 32 6.668 -4.694 28.897 1.00 0.00 O ATOM 422 CB PHE A 32 4.338 -6.254 30.623 1.00 0.00 C ATOM 423 CG PHE A 32 3.252 -6.358 31.656 1.00 0.00 C ATOM 424 CD1 PHE A 32 2.432 -5.275 31.928 1.00 0.00 C ATOM 425 CD2 PHE A 32 3.051 -7.537 32.354 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.432 -5.367 32.878 1.00 0.00 C ATOM 427 CE2 PHE A 32 2.053 -7.636 33.305 1.00 0.00 C ATOM 428 CZ PHE A 32 1.242 -6.549 33.566 1.00 0.00 C ATOM 0 H PHE A 32 3.734 -3.963 29.860 1.00 0.00 H new ATOM 0 HA PHE A 32 5.526 -4.969 31.872 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.883 -6.199 29.634 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.940 -7.163 30.647 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.576 -4.349 31.392 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.682 -8.390 32.153 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.800 -4.515 33.082 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.908 -8.561 33.843 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.460 -6.623 34.307 1.00 0.00 H new ATOM 438 N PRO A 33 7.487 -5.978 30.556 1.00 0.00 N ATOM 439 CA PRO A 33 8.770 -6.242 29.896 1.00 0.00 C ATOM 440 C PRO A 33 8.620 -7.149 28.679 1.00 0.00 C ATOM 441 O PRO A 33 7.706 -7.972 28.614 1.00 0.00 O ATOM 442 CB PRO A 33 9.591 -6.938 30.984 1.00 0.00 C ATOM 443 CG PRO A 33 8.579 -7.559 31.884 1.00 0.00 C ATOM 444 CD PRO A 33 7.391 -6.637 31.869 1.00 0.00 C ATOM 0 HA PRO A 33 9.228 -5.329 29.515 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.256 -7.689 30.558 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.217 -6.227 31.523 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.305 -8.555 31.535 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.972 -7.672 32.894 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.455 -7.186 31.976 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.432 -5.915 32.685 1.00 0.00 H new ATOM 452 N LEU A 34 9.522 -6.992 27.717 1.00 0.00 N ATOM 453 CA LEU A 34 9.491 -7.798 26.501 1.00 0.00 C ATOM 454 C LEU A 34 10.176 -9.143 26.721 1.00 0.00 C ATOM 455 O LEU A 34 9.913 -10.109 26.005 1.00 0.00 O ATOM 456 CB LEU A 34 10.169 -7.049 25.352 1.00 0.00 C ATOM 457 CG LEU A 34 9.605 -5.666 25.027 1.00 0.00 C ATOM 458 CD1 LEU A 34 8.176 -5.540 25.531 1.00 0.00 C ATOM 459 CD2 LEU A 34 10.482 -4.577 25.628 1.00 0.00 C ATOM 0 H LEU A 34 10.284 -6.315 27.755 1.00 0.00 H new ATOM 0 HA LEU A 34 8.448 -7.981 26.242 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.227 -6.941 25.590 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.105 -7.665 24.455 1.00 0.00 H new ATOM 0 HG LEU A 34 9.599 -5.543 23.944 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.791 -4.549 25.291 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.554 -6.297 25.053 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.157 -5.684 26.611 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.065 -3.599 25.386 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.521 -4.697 26.711 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.489 -4.653 25.218 1.00 0.00 H new ATOM 471 N ASP A 35 11.054 -9.198 27.717 1.00 0.00 N ATOM 472 CA ASP A 35 11.774 -10.426 28.034 1.00 0.00 C ATOM 473 C ASP A 35 10.855 -11.435 28.715 1.00 0.00 C ATOM 474 O ASP A 35 9.924 -11.075 29.436 1.00 0.00 O ATOM 475 CB ASP A 35 12.973 -10.121 28.933 1.00 0.00 C ATOM 476 CG ASP A 35 14.256 -10.742 28.417 1.00 0.00 C ATOM 477 OD1 ASP A 35 14.349 -10.984 27.196 1.00 0.00 O ATOM 478 OD2 ASP A 35 15.168 -10.987 29.235 1.00 0.00 O ATOM 0 H ASP A 35 11.284 -8.407 28.318 1.00 0.00 H new ATOM 0 HA ASP A 35 12.131 -10.860 27.100 1.00 0.00 H new ATOM 0 HB2 ASP A 35 13.101 -9.041 29.010 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.773 -10.491 29.939 1.00 0.00 H new ATOM 483 N PRO A 36 11.120 -12.728 28.482 1.00 0.00 N ATOM 484 CA PRO A 36 10.328 -13.816 29.064 1.00 0.00 C ATOM 485 C PRO A 36 10.536 -13.943 30.569 1.00 0.00 C ATOM 486 O PRO A 36 9.591 -14.194 31.318 1.00 0.00 O ATOM 487 CB PRO A 36 10.853 -15.061 28.345 1.00 0.00 C ATOM 488 CG PRO A 36 12.238 -14.704 27.930 1.00 0.00 C ATOM 489 CD PRO A 36 12.214 -13.230 27.633 1.00 0.00 C ATOM 0 HA PRO A 36 9.258 -13.654 28.938 1.00 0.00 H new ATOM 0 HB2 PRO A 36 10.849 -15.930 29.004 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.234 -15.311 27.484 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.953 -14.931 28.721 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.542 -15.274 27.052 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.164 -12.755 27.879 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.025 -13.036 26.577 1.00 0.00 H new ATOM 497 N LYS A 37 11.778 -13.768 31.007 1.00 0.00 N ATOM 498 CA LYS A 37 12.110 -13.861 32.424 1.00 0.00 C ATOM 499 C LYS A 37 11.234 -12.926 33.251 1.00 0.00 C ATOM 500 O LYS A 37 10.690 -13.321 34.283 1.00 0.00 O ATOM 501 CB LYS A 37 13.586 -13.524 32.646 1.00 0.00 C ATOM 502 CG LYS A 37 14.541 -14.501 31.982 1.00 0.00 C ATOM 503 CD LYS A 37 15.192 -13.895 30.750 1.00 0.00 C ATOM 504 CE LYS A 37 15.890 -14.954 29.911 1.00 0.00 C ATOM 505 NZ LYS A 37 17.004 -15.606 30.654 1.00 0.00 N ATOM 0 H LYS A 37 12.572 -13.561 30.401 1.00 0.00 H new ATOM 0 HA LYS A 37 11.925 -14.885 32.748 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.782 -12.522 32.265 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.788 -13.503 33.717 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.312 -14.798 32.693 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.001 -15.405 31.702 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.436 -13.392 30.147 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.913 -13.136 31.054 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.167 -15.710 29.605 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.279 -14.498 29.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.497 -16.273 30.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.673 -14.881 30.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.621 -16.121 31.473 1.00 0.00 H new ATOM 519 N ARG A 38 11.101 -11.686 32.792 1.00 0.00 N ATOM 520 CA ARG A 38 10.291 -10.696 33.490 1.00 0.00 C ATOM 521 C ARG A 38 8.827 -10.799 33.072 1.00 0.00 C ATOM 522 O ARG A 38 7.934 -10.875 33.917 1.00 0.00 O ATOM 523 CB ARG A 38 10.814 -9.286 33.207 1.00 0.00 C ATOM 524 CG ARG A 38 12.329 -9.177 33.259 1.00 0.00 C ATOM 525 CD ARG A 38 12.840 -9.188 34.691 1.00 0.00 C ATOM 526 NE ARG A 38 12.598 -10.469 35.349 1.00 0.00 N ATOM 527 CZ ARG A 38 13.407 -11.516 35.240 1.00 0.00 C ATOM 528 NH1 ARG A 38 14.506 -11.434 34.502 1.00 0.00 N ATOM 529 NH2 ARG A 38 13.119 -12.648 35.869 1.00 0.00 N ATOM 0 H ARG A 38 11.544 -11.343 31.940 1.00 0.00 H new ATOM 0 HA ARG A 38 10.361 -10.895 34.559 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.469 -8.970 32.222 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.383 -8.595 33.932 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.773 -10.005 32.707 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.646 -8.258 32.766 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.909 -8.974 34.696 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.353 -8.393 35.256 1.00 0.00 H new ATOM 0 HE ARG A 38 11.761 -10.565 35.924 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.731 -10.565 34.017 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.126 -12.240 34.420 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.275 -12.715 36.438 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.742 -13.451 35.784 1.00 0.00 H new ATOM 543 N ARG A 39 8.588 -10.802 31.765 1.00 0.00 N ATOM 544 CA ARG A 39 7.233 -10.895 31.235 1.00 0.00 C ATOM 545 C ARG A 39 6.380 -11.832 32.085 1.00 0.00 C ATOM 546 O ARG A 39 5.296 -11.464 32.538 1.00 0.00 O ATOM 547 CB ARG A 39 7.261 -11.386 29.787 1.00 0.00 C ATOM 548 CG ARG A 39 5.880 -11.630 29.200 1.00 0.00 C ATOM 549 CD ARG A 39 5.860 -12.873 28.324 1.00 0.00 C ATOM 550 NE ARG A 39 4.519 -13.442 28.213 1.00 0.00 N ATOM 551 CZ ARG A 39 3.889 -14.040 29.218 1.00 0.00 C ATOM 552 NH1 ARG A 39 4.475 -14.145 30.403 1.00 0.00 N ATOM 553 NH2 ARG A 39 2.670 -14.533 29.039 1.00 0.00 N ATOM 0 H ARG A 39 9.316 -10.741 31.053 1.00 0.00 H new ATOM 0 HA ARG A 39 6.789 -9.900 31.265 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.783 -10.652 29.173 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.836 -12.310 29.737 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.155 -11.740 30.006 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.575 -10.764 28.612 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.231 -12.622 27.330 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.538 -13.620 28.738 1.00 0.00 H new ATOM 0 HE ARG A 39 4.040 -13.376 27.315 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.411 -13.766 30.544 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.989 -14.605 31.173 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.216 -14.453 28.129 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.187 -14.992 29.811 1.00 0.00 H new ATOM 567 N LYS A 40 6.877 -13.046 32.298 1.00 0.00 N ATOM 568 CA LYS A 40 6.163 -14.037 33.093 1.00 0.00 C ATOM 569 C LYS A 40 6.079 -13.605 34.554 1.00 0.00 C ATOM 570 O LYS A 40 5.076 -13.847 35.225 1.00 0.00 O ATOM 571 CB LYS A 40 6.856 -15.398 32.993 1.00 0.00 C ATOM 572 CG LYS A 40 7.062 -15.872 31.564 1.00 0.00 C ATOM 573 CD LYS A 40 8.400 -16.572 31.396 1.00 0.00 C ATOM 574 CE LYS A 40 8.260 -18.081 31.529 1.00 0.00 C ATOM 575 NZ LYS A 40 9.584 -18.762 31.544 1.00 0.00 N ATOM 0 H LYS A 40 7.773 -13.367 31.930 1.00 0.00 H new ATOM 0 HA LYS A 40 5.151 -14.121 32.698 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.824 -15.341 33.491 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.264 -16.138 33.531 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.257 -16.552 31.286 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.008 -15.020 30.886 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.819 -16.329 30.419 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.101 -16.203 32.144 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.720 -18.316 32.446 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.664 -18.465 30.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.445 -19.789 31.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.089 -18.559 30.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.144 -18.415 32.349 1.00 0.00 H new ATOM 589 N GLU A 41 7.137 -12.962 35.038 1.00 0.00 N ATOM 590 CA GLU A 41 7.180 -12.495 36.419 1.00 0.00 C ATOM 591 C GLU A 41 6.116 -11.431 36.667 1.00 0.00 C ATOM 592 O GLU A 41 5.220 -11.614 37.492 1.00 0.00 O ATOM 593 CB GLU A 41 8.565 -11.934 36.747 1.00 0.00 C ATOM 594 CG GLU A 41 9.374 -12.817 37.683 1.00 0.00 C ATOM 595 CD GLU A 41 8.847 -12.796 39.105 1.00 0.00 C ATOM 596 OE1 GLU A 41 7.890 -13.544 39.393 1.00 0.00 O ATOM 597 OE2 GLU A 41 9.393 -12.033 39.929 1.00 0.00 O ATOM 0 H GLU A 41 7.975 -12.753 34.495 1.00 0.00 H new ATOM 0 HA GLU A 41 6.977 -13.345 37.070 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.121 -11.797 35.820 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.451 -10.949 37.199 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.363 -13.841 37.310 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.413 -12.488 37.680 1.00 0.00 H new ATOM 604 N TRP A 42 6.221 -10.319 35.948 1.00 0.00 N ATOM 605 CA TRP A 42 5.268 -9.224 36.091 1.00 0.00 C ATOM 606 C TRP A 42 3.845 -9.755 36.224 1.00 0.00 C ATOM 607 O TRP A 42 3.022 -9.182 36.939 1.00 0.00 O ATOM 608 CB TRP A 42 5.362 -8.279 34.892 1.00 0.00 C ATOM 609 CG TRP A 42 6.537 -7.350 34.959 1.00 0.00 C ATOM 610 CD1 TRP A 42 7.852 -7.700 35.080 1.00 0.00 C ATOM 611 CD2 TRP A 42 6.503 -5.920 34.910 1.00 0.00 C ATOM 612 NE1 TRP A 42 8.637 -6.572 35.109 1.00 0.00 N ATOM 613 CE2 TRP A 42 7.833 -5.468 35.006 1.00 0.00 C ATOM 614 CE3 TRP A 42 5.478 -4.977 34.793 1.00 0.00 C ATOM 615 CZ2 TRP A 42 8.162 -4.115 34.990 1.00 0.00 C ATOM 616 CZ3 TRP A 42 5.806 -3.635 34.778 1.00 0.00 C ATOM 617 CH2 TRP A 42 7.139 -3.214 34.875 1.00 0.00 C ATOM 0 H TRP A 42 6.956 -10.152 35.261 1.00 0.00 H new ATOM 0 HA TRP A 42 5.518 -8.674 36.999 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.426 -8.869 33.978 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.446 -7.691 34.829 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.220 -8.713 35.143 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.653 -6.559 35.194 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.448 -5.292 34.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.189 -3.788 35.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 5.022 -2.898 34.690 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.363 -2.158 34.859 1.00 0.00 H new ATOM 628 N VAL A 43 3.560 -10.853 35.531 1.00 0.00 N ATOM 629 CA VAL A 43 2.236 -11.462 35.573 1.00 0.00 C ATOM 630 C VAL A 43 2.100 -12.400 36.768 1.00 0.00 C ATOM 631 O VAL A 43 1.011 -12.569 37.317 1.00 0.00 O ATOM 632 CB VAL A 43 1.937 -12.246 34.282 1.00 0.00 C ATOM 633 CG1 VAL A 43 0.469 -12.642 34.225 1.00 0.00 C ATOM 634 CG2 VAL A 43 2.325 -11.427 33.060 1.00 0.00 C ATOM 0 H VAL A 43 4.229 -11.339 34.934 1.00 0.00 H new ATOM 0 HA VAL A 43 1.517 -10.649 35.669 1.00 0.00 H new ATOM 0 HB VAL A 43 2.534 -13.158 34.285 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.277 -13.195 33.306 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.228 -13.269 35.083 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.151 -11.746 34.245 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.107 -11.996 32.156 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.756 -10.497 33.049 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.390 -11.200 33.098 1.00 0.00 H new ATOM 644 N ARG A 44 3.213 -13.007 37.165 1.00 0.00 N ATOM 645 CA ARG A 44 3.219 -13.929 38.295 1.00 0.00 C ATOM 646 C ARG A 44 3.126 -13.171 39.616 1.00 0.00 C ATOM 647 O ARG A 44 2.646 -13.703 40.617 1.00 0.00 O ATOM 648 CB ARG A 44 4.485 -14.787 38.274 1.00 0.00 C ATOM 649 CG ARG A 44 5.063 -15.053 39.655 1.00 0.00 C ATOM 650 CD ARG A 44 6.111 -16.154 39.617 1.00 0.00 C ATOM 651 NE ARG A 44 5.509 -17.484 39.647 1.00 0.00 N ATOM 652 CZ ARG A 44 5.121 -18.090 40.764 1.00 0.00 C ATOM 653 NH1 ARG A 44 5.271 -17.488 41.935 1.00 0.00 N ATOM 654 NH2 ARG A 44 4.582 -19.301 40.710 1.00 0.00 N ATOM 0 H ARG A 44 4.122 -12.877 36.721 1.00 0.00 H new ATOM 0 HA ARG A 44 2.348 -14.578 38.207 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.260 -15.739 37.794 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.239 -14.292 37.663 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.508 -14.138 40.047 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.262 -15.335 40.338 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.714 -16.049 38.715 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.785 -16.042 40.466 1.00 0.00 H new ATOM 0 HE ARG A 44 5.379 -17.975 38.762 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.685 -16.557 41.980 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.972 -17.956 42.791 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.465 -19.768 39.811 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.284 -19.766 41.568 1.00 0.00 H new ATOM 668 N LEU A 45 3.590 -11.926 39.611 1.00 0.00 N ATOM 669 CA LEU A 45 3.560 -11.094 40.809 1.00 0.00 C ATOM 670 C LEU A 45 2.190 -10.450 40.991 1.00 0.00 C ATOM 671 O LEU A 45 1.601 -10.511 42.071 1.00 0.00 O ATOM 672 CB LEU A 45 4.638 -10.012 40.729 1.00 0.00 C ATOM 673 CG LEU A 45 6.086 -10.505 40.722 1.00 0.00 C ATOM 674 CD1 LEU A 45 6.898 -9.762 39.674 1.00 0.00 C ATOM 675 CD2 LEU A 45 6.712 -10.342 42.099 1.00 0.00 C ATOM 0 H LEU A 45 3.991 -11.471 38.791 1.00 0.00 H new ATOM 0 HA LEU A 45 3.758 -11.733 41.670 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.470 -9.427 39.825 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.510 -9.336 41.575 1.00 0.00 H new ATOM 0 HG LEU A 45 6.087 -11.565 40.468 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.925 -10.126 39.684 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.463 -9.931 38.689 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.889 -8.695 39.896 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.742 -10.698 42.075 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.698 -9.290 42.383 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.145 -10.922 42.827 1.00 0.00 H new ATOM 687 N VAL A 46 1.685 -9.834 39.927 1.00 0.00 N ATOM 688 CA VAL A 46 0.382 -9.181 39.968 1.00 0.00 C ATOM 689 C VAL A 46 -0.683 -10.115 40.533 1.00 0.00 C ATOM 690 O VAL A 46 -1.747 -9.670 40.963 1.00 0.00 O ATOM 691 CB VAL A 46 -0.054 -8.710 38.567 1.00 0.00 C ATOM 692 CG1 VAL A 46 0.101 -9.834 37.554 1.00 0.00 C ATOM 693 CG2 VAL A 46 -1.488 -8.204 38.599 1.00 0.00 C ATOM 0 H VAL A 46 2.159 -9.773 39.026 1.00 0.00 H new ATOM 0 HA VAL A 46 0.483 -8.313 40.620 1.00 0.00 H new ATOM 0 HB VAL A 46 0.591 -7.886 38.261 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.212 -9.483 36.571 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.145 -10.146 37.513 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.519 -10.680 37.851 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.780 -7.875 37.602 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.150 -9.006 38.925 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.563 -7.367 39.293 1.00 0.00 H new ATOM 703 N ARG A 47 -0.388 -11.410 40.528 1.00 0.00 N ATOM 704 CA ARG A 47 -1.321 -12.408 41.040 1.00 0.00 C ATOM 705 C ARG A 47 -2.437 -12.675 40.034 1.00 0.00 C ATOM 706 O ARG A 47 -3.600 -12.823 40.407 1.00 0.00 O ATOM 707 CB ARG A 47 -1.919 -11.943 42.369 1.00 0.00 C ATOM 708 CG ARG A 47 -0.918 -11.246 43.276 1.00 0.00 C ATOM 709 CD ARG A 47 -1.440 -11.137 44.701 1.00 0.00 C ATOM 710 NE ARG A 47 -0.384 -10.777 45.644 1.00 0.00 N ATOM 711 CZ ARG A 47 -0.539 -10.798 46.963 1.00 0.00 C ATOM 712 NH1 ARG A 47 -1.699 -11.159 47.492 1.00 0.00 N ATOM 713 NH2 ARG A 47 0.469 -10.456 47.756 1.00 0.00 N ATOM 0 H ARG A 47 0.489 -11.794 40.176 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.771 -13.335 41.201 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.748 -11.264 42.167 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.333 -12.805 42.893 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.023 -11.797 43.273 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.705 -10.250 42.888 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.232 -10.389 44.741 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.883 -12.087 44.998 1.00 0.00 H new ATOM 0 HE ARG A 47 0.521 -10.494 45.269 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.476 -11.422 46.886 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.815 -11.174 48.505 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.363 -10.177 47.353 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.349 -10.472 48.769 1.00 0.00 H new ATOM 727 N ARG A 48 -2.073 -12.736 38.757 1.00 0.00 N ATOM 728 CA ARG A 48 -3.043 -12.983 37.697 1.00 0.00 C ATOM 729 C ARG A 48 -2.913 -14.407 37.163 1.00 0.00 C ATOM 730 O ARG A 48 -3.745 -15.268 37.449 1.00 0.00 O ATOM 731 CB ARG A 48 -2.854 -11.980 36.558 1.00 0.00 C ATOM 732 CG ARG A 48 -3.769 -10.770 36.654 1.00 0.00 C ATOM 733 CD ARG A 48 -4.119 -10.449 38.098 1.00 0.00 C ATOM 734 NE ARG A 48 -5.387 -11.052 38.501 1.00 0.00 N ATOM 735 CZ ARG A 48 -5.778 -11.166 39.765 1.00 0.00 C ATOM 736 NH1 ARG A 48 -5.003 -10.720 40.745 1.00 0.00 N ATOM 737 NH2 ARG A 48 -6.946 -11.726 40.052 1.00 0.00 N ATOM 0 H ARG A 48 -1.114 -12.618 38.432 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.041 -12.860 38.117 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.818 -11.642 36.551 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.031 -12.484 35.608 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.283 -9.908 36.196 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.683 -10.958 36.090 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.324 -10.807 38.752 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.175 -9.368 38.226 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.006 -11.405 37.771 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.105 -10.288 40.528 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.306 -10.809 41.715 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.545 -12.070 39.301 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.245 -11.813 41.023 1.00 0.00 H new ATOM 751 N LYS A 49 -1.863 -14.647 36.384 1.00 0.00 N ATOM 752 CA LYS A 49 -1.622 -15.965 35.809 1.00 0.00 C ATOM 753 C LYS A 49 -2.542 -16.216 34.619 1.00 0.00 C ATOM 754 O LYS A 49 -2.086 -16.577 33.535 1.00 0.00 O ATOM 755 CB LYS A 49 -1.830 -17.051 36.867 1.00 0.00 C ATOM 756 CG LYS A 49 -0.643 -17.987 37.019 1.00 0.00 C ATOM 757 CD LYS A 49 -1.071 -19.444 36.966 1.00 0.00 C ATOM 758 CE LYS A 49 -2.226 -19.720 37.916 1.00 0.00 C ATOM 759 NZ LYS A 49 -2.227 -21.131 38.392 1.00 0.00 N ATOM 0 H LYS A 49 -1.165 -13.945 36.137 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.590 -15.999 35.461 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.034 -16.577 37.827 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.712 -17.636 36.607 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.080 -17.790 36.228 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.141 -17.789 37.966 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.366 -19.701 35.949 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.226 -20.082 37.224 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.161 -19.048 38.772 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.169 -19.506 37.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.029 -21.279 39.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.315 -21.772 37.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.338 -21.329 38.894 1.00 0.00 H new ATOM 773 N ASN A 50 -3.840 -16.022 34.830 1.00 0.00 N ATOM 774 CA ASN A 50 -4.825 -16.227 33.773 1.00 0.00 C ATOM 775 C ASN A 50 -4.996 -14.963 32.936 1.00 0.00 C ATOM 776 O ASN A 50 -6.028 -14.765 32.294 1.00 0.00 O ATOM 777 CB ASN A 50 -6.170 -16.640 34.374 1.00 0.00 C ATOM 778 CG ASN A 50 -6.445 -18.123 34.211 1.00 0.00 C ATOM 779 OD1 ASN A 50 -5.542 -18.904 33.912 1.00 0.00 O ATOM 780 ND2 ASN A 50 -7.698 -18.516 34.406 1.00 0.00 N ATOM 0 H ASN A 50 -4.234 -15.723 35.722 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.464 -17.025 33.124 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.185 -16.385 35.434 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.968 -16.071 33.897 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.944 -19.501 34.309 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.414 -17.833 34.653 1.00 0.00 H new ATOM 787 N PHE A 51 -3.977 -14.110 32.948 1.00 0.00 N ATOM 788 CA PHE A 51 -4.014 -12.864 32.191 1.00 0.00 C ATOM 789 C PHE A 51 -2.683 -12.614 31.489 1.00 0.00 C ATOM 790 O PHE A 51 -1.628 -13.035 31.965 1.00 0.00 O ATOM 791 CB PHE A 51 -4.345 -11.690 33.115 1.00 0.00 C ATOM 792 CG PHE A 51 -3.381 -10.544 32.996 1.00 0.00 C ATOM 793 CD1 PHE A 51 -2.190 -10.547 33.706 1.00 0.00 C ATOM 794 CD2 PHE A 51 -3.664 -9.465 32.175 1.00 0.00 C ATOM 795 CE1 PHE A 51 -1.302 -9.494 33.599 1.00 0.00 C ATOM 796 CE2 PHE A 51 -2.779 -8.409 32.064 1.00 0.00 C ATOM 797 CZ PHE A 51 -1.596 -8.424 32.777 1.00 0.00 C ATOM 0 H PHE A 51 -3.116 -14.259 33.474 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.793 -12.952 31.434 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.350 -11.334 32.891 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.354 -12.041 34.147 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.954 -11.382 34.350 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.587 -9.449 31.615 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.378 -9.508 34.158 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.012 -7.573 31.421 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.902 -7.601 32.692 1.00 0.00 H new ATOM 807 N VAL A 52 -2.740 -11.927 30.352 1.00 0.00 N ATOM 808 CA VAL A 52 -1.539 -11.620 29.584 1.00 0.00 C ATOM 809 C VAL A 52 -1.588 -10.200 29.031 1.00 0.00 C ATOM 810 O VAL A 52 -2.646 -9.684 28.670 1.00 0.00 O ATOM 811 CB VAL A 52 -1.353 -12.607 28.416 1.00 0.00 C ATOM 812 CG1 VAL A 52 -1.090 -11.857 27.119 1.00 0.00 C ATOM 813 CG2 VAL A 52 -0.223 -13.581 28.717 1.00 0.00 C ATOM 0 H VAL A 52 -3.605 -11.573 29.943 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.694 -11.712 30.267 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.273 -13.179 28.296 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.961 -12.571 26.306 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.935 -11.204 26.899 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.185 -11.258 27.222 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.105 -14.271 27.882 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.705 -13.028 28.864 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.458 -14.143 29.621 1.00 0.00 H new ATOM 823 N PRO A 53 -0.417 -9.551 28.963 1.00 0.00 N ATOM 824 CA PRO A 53 -0.299 -8.181 28.455 1.00 0.00 C ATOM 825 C PRO A 53 -0.544 -8.097 26.952 1.00 0.00 C ATOM 826 O PRO A 53 0.208 -8.661 26.158 1.00 0.00 O ATOM 827 CB PRO A 53 1.148 -7.804 28.782 1.00 0.00 C ATOM 828 CG PRO A 53 1.873 -9.104 28.846 1.00 0.00 C ATOM 829 CD PRO A 53 0.884 -10.105 29.377 1.00 0.00 C ATOM 0 HA PRO A 53 -1.038 -7.516 28.902 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.570 -7.153 28.017 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.213 -7.267 29.729 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.235 -9.398 27.861 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.744 -9.033 29.497 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.051 -11.097 28.957 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.953 -10.202 30.460 1.00 0.00 H new ATOM 837 N GLY A 54 -1.602 -7.389 26.568 1.00 0.00 N ATOM 838 CA GLY A 54 -1.927 -7.245 25.161 1.00 0.00 C ATOM 839 C GLY A 54 -1.852 -5.805 24.694 1.00 0.00 C ATOM 840 O GLY A 54 -2.809 -5.277 24.128 1.00 0.00 O ATOM 0 H GLY A 54 -2.240 -6.913 27.206 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.242 -7.852 24.569 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.931 -7.630 24.982 1.00 0.00 H new ATOM 844 N LYS A 55 -0.712 -5.165 24.933 1.00 0.00 N ATOM 845 CA LYS A 55 -0.514 -3.777 24.533 1.00 0.00 C ATOM 846 C LYS A 55 -1.171 -2.826 25.528 1.00 0.00 C ATOM 847 O LYS A 55 -0.527 -1.915 26.049 1.00 0.00 O ATOM 848 CB LYS A 55 -1.086 -3.542 23.133 1.00 0.00 C ATOM 849 CG LYS A 55 -0.295 -2.535 22.315 1.00 0.00 C ATOM 850 CD LYS A 55 -0.556 -1.112 22.780 1.00 0.00 C ATOM 851 CE LYS A 55 -1.920 -0.617 22.322 1.00 0.00 C ATOM 852 NZ LYS A 55 -1.830 0.164 21.057 1.00 0.00 N ATOM 0 H LYS A 55 0.090 -5.586 25.402 1.00 0.00 H new ATOM 0 HA LYS A 55 0.558 -3.578 24.519 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.115 -4.491 22.597 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.116 -3.196 23.223 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.769 -2.756 22.395 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.562 -2.630 21.262 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.498 -1.067 23.868 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.221 -0.453 22.392 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.585 -1.468 22.177 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.362 0.004 23.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.780 0.484 20.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.215 0.990 21.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.432 -0.436 20.306 1.00 0.00 H new ATOM 866 N HIS A 56 -2.456 -3.044 25.789 1.00 0.00 N ATOM 867 CA HIS A 56 -3.200 -2.207 26.724 1.00 0.00 C ATOM 868 C HIS A 56 -2.920 -2.622 28.166 1.00 0.00 C ATOM 869 O HIS A 56 -3.837 -2.728 28.981 1.00 0.00 O ATOM 870 CB HIS A 56 -4.699 -2.293 26.438 1.00 0.00 C ATOM 871 CG HIS A 56 -5.074 -1.830 25.063 1.00 0.00 C ATOM 872 ND1 HIS A 56 -4.870 -2.591 23.931 1.00 0.00 N ATOM 873 CD2 HIS A 56 -5.644 -0.677 24.642 1.00 0.00 C ATOM 874 CE1 HIS A 56 -5.297 -1.925 22.873 1.00 0.00 C ATOM 875 NE2 HIS A 56 -5.772 -0.761 23.278 1.00 0.00 N ATOM 0 H HIS A 56 -3.004 -3.793 25.366 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.872 -1.176 26.591 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -5.027 -3.325 26.567 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -5.236 -1.694 27.173 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.943 0.154 25.263 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.263 -2.273 21.851 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -6.170 -0.041 22.675 1.00 0.00 H new ATOM 883 N THR A 57 -1.648 -2.857 28.473 1.00 0.00 N ATOM 884 CA THR A 57 -1.249 -3.262 29.815 1.00 0.00 C ATOM 885 C THR A 57 -0.164 -2.344 30.366 1.00 0.00 C ATOM 886 O THR A 57 0.891 -2.176 29.755 1.00 0.00 O ATOM 887 CB THR A 57 -0.734 -4.714 29.833 1.00 0.00 C ATOM 888 OG1 THR A 57 -0.826 -5.283 28.522 1.00 0.00 O ATOM 889 CG2 THR A 57 -1.533 -5.559 30.814 1.00 0.00 C ATOM 0 H THR A 57 -0.877 -2.774 27.811 1.00 0.00 H new ATOM 0 HA THR A 57 -2.136 -3.190 30.444 1.00 0.00 H new ATOM 0 HB THR A 57 0.308 -4.702 30.152 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.074 -5.401 28.153 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.151 -6.580 30.810 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.438 -5.141 31.816 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.583 -5.563 30.520 1.00 0.00 H new ATOM 897 N PHE A 58 -0.431 -1.751 31.526 1.00 0.00 N ATOM 898 CA PHE A 58 0.523 -0.849 32.160 1.00 0.00 C ATOM 899 C PHE A 58 0.429 -0.940 33.680 1.00 0.00 C ATOM 900 O PHE A 58 -0.634 -1.227 34.232 1.00 0.00 O ATOM 901 CB PHE A 58 0.274 0.591 31.707 1.00 0.00 C ATOM 902 CG PHE A 58 -0.070 1.523 32.834 1.00 0.00 C ATOM 903 CD1 PHE A 58 0.916 1.994 33.687 1.00 0.00 C ATOM 904 CD2 PHE A 58 -1.379 1.928 33.041 1.00 0.00 C ATOM 905 CE1 PHE A 58 0.601 2.850 34.725 1.00 0.00 C ATOM 906 CE2 PHE A 58 -1.699 2.784 34.077 1.00 0.00 C ATOM 907 CZ PHE A 58 -0.707 3.247 34.919 1.00 0.00 C ATOM 0 H PHE A 58 -1.300 -1.879 32.045 1.00 0.00 H new ATOM 0 HA PHE A 58 1.526 -1.149 31.857 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.163 0.962 31.198 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.537 0.599 30.979 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.941 1.689 33.539 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.158 1.570 32.385 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.378 3.208 35.384 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.723 3.091 34.228 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.954 3.919 35.728 1.00 0.00 H new ATOM 917 N LEU A 59 1.549 -0.693 34.352 1.00 0.00 N ATOM 918 CA LEU A 59 1.595 -0.747 35.809 1.00 0.00 C ATOM 919 C LEU A 59 2.125 0.562 36.386 1.00 0.00 C ATOM 920 O LEU A 59 3.073 1.145 35.860 1.00 0.00 O ATOM 921 CB LEU A 59 2.472 -1.913 36.268 1.00 0.00 C ATOM 922 CG LEU A 59 1.870 -3.309 36.110 1.00 0.00 C ATOM 923 CD1 LEU A 59 2.648 -4.323 36.935 1.00 0.00 C ATOM 924 CD2 LEU A 59 0.402 -3.306 36.513 1.00 0.00 C ATOM 0 H LEU A 59 2.437 -0.453 33.911 1.00 0.00 H new ATOM 0 HA LEU A 59 0.580 -0.899 36.175 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.408 -1.878 35.711 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.720 -1.763 37.319 1.00 0.00 H new ATOM 0 HG LEU A 59 1.938 -3.596 35.061 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.205 -5.311 36.810 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.685 -4.346 36.600 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.613 -4.040 37.987 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.010 -4.308 36.394 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.311 -2.998 37.555 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.148 -2.610 35.879 1.00 0.00 H new ATOM 936 N CYS A 60 1.508 1.017 37.471 1.00 0.00 N ATOM 937 CA CYS A 60 1.918 2.256 38.122 1.00 0.00 C ATOM 938 C CYS A 60 3.388 2.196 38.528 1.00 0.00 C ATOM 939 O CYS A 60 4.022 1.144 38.447 1.00 0.00 O ATOM 940 CB CYS A 60 1.048 2.523 39.351 1.00 0.00 C ATOM 941 SG CYS A 60 -0.737 2.305 39.060 1.00 0.00 S ATOM 0 H CYS A 60 0.722 0.546 37.919 1.00 0.00 H new ATOM 0 HA CYS A 60 1.789 3.071 37.410 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.358 1.855 40.155 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.227 3.541 39.696 1.00 0.00 H new ATOM 946 N SER A 61 3.921 3.332 38.965 1.00 0.00 N ATOM 947 CA SER A 61 5.317 3.410 39.381 1.00 0.00 C ATOM 948 C SER A 61 5.440 3.281 40.897 1.00 0.00 C ATOM 949 O SER A 61 6.483 2.881 41.415 1.00 0.00 O ATOM 950 CB SER A 61 5.936 4.730 38.918 1.00 0.00 C ATOM 951 OG SER A 61 6.093 4.754 37.510 1.00 0.00 O ATOM 0 H SER A 61 3.408 4.211 39.040 1.00 0.00 H new ATOM 0 HA SER A 61 5.855 2.583 38.918 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.304 5.561 39.231 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.905 4.869 39.397 1.00 0.00 H new ATOM 0 HG SER A 61 7.008 5.027 37.287 1.00 0.00 H new ATOM 957 N LYS A 62 4.368 3.624 41.602 1.00 0.00 N ATOM 958 CA LYS A 62 4.352 3.546 43.058 1.00 0.00 C ATOM 959 C LYS A 62 4.718 2.143 43.532 1.00 0.00 C ATOM 960 O LYS A 62 5.413 1.978 44.535 1.00 0.00 O ATOM 961 CB LYS A 62 2.973 3.935 43.596 1.00 0.00 C ATOM 962 CG LYS A 62 2.009 2.765 43.699 1.00 0.00 C ATOM 963 CD LYS A 62 0.565 3.235 43.749 1.00 0.00 C ATOM 964 CE LYS A 62 0.102 3.462 45.180 1.00 0.00 C ATOM 965 NZ LYS A 62 -0.700 2.316 45.692 1.00 0.00 N ATOM 0 H LYS A 62 3.498 3.959 41.188 1.00 0.00 H new ATOM 0 HA LYS A 62 5.095 4.245 43.442 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.090 4.386 44.581 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.540 4.696 42.947 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.147 2.102 42.845 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.235 2.184 44.593 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.462 4.160 43.181 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.076 2.495 43.271 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.969 3.614 45.822 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.494 4.373 45.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.997 2.509 46.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.541 2.186 45.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.123 1.451 45.670 1.00 0.00 H new ATOM 979 N HIS A 63 4.247 1.136 42.804 1.00 0.00 N ATOM 980 CA HIS A 63 4.526 -0.253 43.150 1.00 0.00 C ATOM 981 C HIS A 63 6.030 -0.504 43.217 1.00 0.00 C ATOM 982 O HIS A 63 6.542 -1.005 44.219 1.00 0.00 O ATOM 983 CB HIS A 63 3.886 -1.194 42.129 1.00 0.00 C ATOM 984 CG HIS A 63 2.410 -0.993 41.973 1.00 0.00 C ATOM 985 ND1 HIS A 63 1.510 -1.198 42.997 1.00 0.00 N ATOM 986 CD2 HIS A 63 1.678 -0.602 40.904 1.00 0.00 C ATOM 987 CE1 HIS A 63 0.288 -0.943 42.565 1.00 0.00 C ATOM 988 NE2 HIS A 63 0.362 -0.579 41.297 1.00 0.00 N ATOM 0 H HIS A 63 3.671 1.256 41.971 1.00 0.00 H new ATOM 0 HA HIS A 63 4.097 -0.450 44.133 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.368 -1.050 41.162 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.074 -2.225 42.429 1.00 0.00 H new ATOM 0 HD1 HIS A 63 1.750 -1.500 43.941 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.058 -0.354 39.924 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.617 -1.019 43.149 1.00 0.00 H new ATOM 996 N PHE A 64 6.732 -0.154 42.145 1.00 0.00 N ATOM 997 CA PHE A 64 8.177 -0.343 42.082 1.00 0.00 C ATOM 998 C PHE A 64 8.893 0.622 43.022 1.00 0.00 C ATOM 999 O PHE A 64 8.642 1.826 43.001 1.00 0.00 O ATOM 1000 CB PHE A 64 8.677 -0.143 40.650 1.00 0.00 C ATOM 1001 CG PHE A 64 8.098 -1.124 39.670 1.00 0.00 C ATOM 1002 CD1 PHE A 64 6.885 -0.871 39.051 1.00 0.00 C ATOM 1003 CD2 PHE A 64 8.769 -2.298 39.368 1.00 0.00 C ATOM 1004 CE1 PHE A 64 6.350 -1.773 38.150 1.00 0.00 C ATOM 1005 CE2 PHE A 64 8.240 -3.203 38.467 1.00 0.00 C ATOM 1006 CZ PHE A 64 7.029 -2.939 37.857 1.00 0.00 C ATOM 0 H PHE A 64 6.324 0.262 41.308 1.00 0.00 H new ATOM 0 HA PHE A 64 8.399 -1.362 42.398 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.433 0.869 40.326 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.764 -0.228 40.638 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.351 0.041 39.275 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.716 -2.508 39.842 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.402 -1.566 37.676 1.00 0.00 H new ATOM 0 HE2 PHE A 64 8.772 -4.115 38.240 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.614 -3.644 37.152 1.00 0.00 H new ATOM 1016 N GLU A 65 9.785 0.082 43.847 1.00 0.00 N ATOM 1017 CA GLU A 65 10.536 0.895 44.796 1.00 0.00 C ATOM 1018 C GLU A 65 11.375 1.943 44.071 1.00 0.00 C ATOM 1019 O GLU A 65 10.876 3.008 43.706 1.00 0.00 O ATOM 1020 CB GLU A 65 11.441 0.009 45.656 1.00 0.00 C ATOM 1021 CG GLU A 65 10.697 -0.738 46.751 1.00 0.00 C ATOM 1022 CD GLU A 65 11.324 -0.544 48.118 1.00 0.00 C ATOM 1023 OE1 GLU A 65 10.991 0.457 48.787 1.00 0.00 O ATOM 1024 OE2 GLU A 65 12.146 -1.394 48.520 1.00 0.00 O ATOM 0 H GLU A 65 10.005 -0.914 43.877 1.00 0.00 H new ATOM 0 HA GLU A 65 9.822 1.408 45.440 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.946 -0.713 45.014 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.215 0.627 46.111 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.662 -0.398 46.779 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.677 -1.801 46.512 1.00 0.00 H new ATOM 1031 N ALA A 66 12.651 1.634 43.865 1.00 0.00 N ATOM 1032 CA ALA A 66 13.558 2.547 43.182 1.00 0.00 C ATOM 1033 C ALA A 66 14.630 1.783 42.412 1.00 0.00 C ATOM 1034 O ALA A 66 15.000 2.164 41.302 1.00 0.00 O ATOM 1035 CB ALA A 66 14.200 3.498 44.181 1.00 0.00 C ATOM 0 H ALA A 66 13.080 0.757 44.162 1.00 0.00 H new ATOM 0 HA ALA A 66 12.978 3.128 42.465 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.875 4.175 43.657 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.424 4.076 44.683 1.00 0.00 H new ATOM 0 HB3 ALA A 66 14.761 2.925 44.920 1.00 0.00 H new ATOM 1041 N SER A 67 15.124 0.704 43.009 1.00 0.00 N ATOM 1042 CA SER A 67 16.157 -0.112 42.381 1.00 0.00 C ATOM 1043 C SER A 67 15.672 -0.669 41.046 1.00 0.00 C ATOM 1044 O SER A 67 16.454 -1.220 40.270 1.00 0.00 O ATOM 1045 CB SER A 67 16.566 -1.258 43.307 1.00 0.00 C ATOM 1046 OG SER A 67 15.714 -2.378 43.140 1.00 0.00 O ATOM 0 H SER A 67 14.826 0.374 43.927 1.00 0.00 H new ATOM 0 HA SER A 67 17.024 0.522 42.197 1.00 0.00 H new ATOM 0 HB2 SER A 67 17.596 -1.547 43.100 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.531 -0.922 44.343 1.00 0.00 H new ATOM 0 HG SER A 67 15.998 -3.097 43.742 1.00 0.00 H new ATOM 1052 N CYS A 68 14.378 -0.523 40.787 1.00 0.00 N ATOM 1053 CA CYS A 68 13.786 -1.013 39.546 1.00 0.00 C ATOM 1054 C CYS A 68 13.924 0.021 38.433 1.00 0.00 C ATOM 1055 O CYS A 68 13.750 -0.293 37.255 1.00 0.00 O ATOM 1056 CB CYS A 68 12.311 -1.355 39.761 1.00 0.00 C ATOM 1057 SG CYS A 68 11.868 -1.660 41.487 1.00 0.00 S ATOM 0 H CYS A 68 13.718 -0.070 41.419 1.00 0.00 H new ATOM 0 HA CYS A 68 14.321 -1.915 39.248 1.00 0.00 H new ATOM 0 HB2 CYS A 68 11.700 -0.537 39.379 1.00 0.00 H new ATOM 0 HB3 CYS A 68 12.064 -2.239 39.172 1.00 0.00 H new ATOM 0 HG CYS A 68 10.757 -2.333 41.537 1.00 0.00 H new ATOM 1063 N PHE A 69 14.236 1.255 38.814 1.00 0.00 N ATOM 1064 CA PHE A 69 14.395 2.336 37.849 1.00 0.00 C ATOM 1065 C PHE A 69 15.867 2.699 37.675 1.00 0.00 C ATOM 1066 O PHE A 69 16.691 2.429 38.549 1.00 0.00 O ATOM 1067 CB PHE A 69 13.604 3.568 38.295 1.00 0.00 C ATOM 1068 CG PHE A 69 12.128 3.320 38.418 1.00 0.00 C ATOM 1069 CD1 PHE A 69 11.334 3.208 37.288 1.00 0.00 C ATOM 1070 CD2 PHE A 69 11.533 3.200 39.664 1.00 0.00 C ATOM 1071 CE1 PHE A 69 9.976 2.980 37.397 1.00 0.00 C ATOM 1072 CE2 PHE A 69 10.175 2.971 39.779 1.00 0.00 C ATOM 1073 CZ PHE A 69 9.395 2.862 38.644 1.00 0.00 C ATOM 0 H PHE A 69 14.384 1.531 39.785 1.00 0.00 H new ATOM 0 HA PHE A 69 14.008 1.992 36.890 1.00 0.00 H new ATOM 0 HB2 PHE A 69 13.989 3.908 39.256 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.771 4.375 37.581 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.782 3.300 36.310 1.00 0.00 H new ATOM 0 HD2 PHE A 69 12.137 3.286 40.555 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.369 2.894 36.508 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.724 2.877 40.756 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.333 2.685 38.732 1.00 0.00 H new ATOM 1083 N ASP A 70 16.189 3.311 36.541 1.00 0.00 N ATOM 1084 CA ASP A 70 17.561 3.712 36.251 1.00 0.00 C ATOM 1085 C ASP A 70 17.824 5.136 36.729 1.00 0.00 C ATOM 1086 O ASP A 70 17.412 6.104 36.087 1.00 0.00 O ATOM 1087 CB ASP A 70 17.840 3.604 34.751 1.00 0.00 C ATOM 1088 CG ASP A 70 19.097 2.811 34.452 1.00 0.00 C ATOM 1089 OD1 ASP A 70 19.036 1.564 34.493 1.00 0.00 O ATOM 1090 OD2 ASP A 70 20.143 3.437 34.179 1.00 0.00 O ATOM 0 H ASP A 70 15.519 3.540 35.807 1.00 0.00 H new ATOM 0 HA ASP A 70 18.231 3.039 36.787 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.990 3.131 34.259 1.00 0.00 H new ATOM 0 HB3 ASP A 70 17.936 4.604 34.329 1.00 0.00 H new ATOM 1095 N LEU A 71 18.510 5.258 37.860 1.00 0.00 N ATOM 1096 CA LEU A 71 18.827 6.565 38.425 1.00 0.00 C ATOM 1097 C LEU A 71 19.929 7.252 37.624 1.00 0.00 C ATOM 1098 O LEU A 71 19.733 8.342 37.084 1.00 0.00 O ATOM 1099 CB LEU A 71 19.258 6.420 39.885 1.00 0.00 C ATOM 1100 CG LEU A 71 18.383 5.519 40.757 1.00 0.00 C ATOM 1101 CD1 LEU A 71 16.917 5.672 40.380 1.00 0.00 C ATOM 1102 CD2 LEU A 71 18.819 4.067 40.629 1.00 0.00 C ATOM 0 H LEU A 71 18.857 4.468 38.404 1.00 0.00 H new ATOM 0 HA LEU A 71 17.929 7.182 38.377 1.00 0.00 H new ATOM 0 HB2 LEU A 71 20.277 6.033 39.905 1.00 0.00 H new ATOM 0 HB3 LEU A 71 19.285 7.412 40.335 1.00 0.00 H new ATOM 0 HG LEU A 71 18.504 5.824 41.797 1.00 0.00 H new ATOM 0 HD11 LEU A 71 16.309 5.023 41.011 1.00 0.00 H new ATOM 0 HD12 LEU A 71 16.611 6.708 40.523 1.00 0.00 H new ATOM 0 HD13 LEU A 71 16.779 5.394 39.335 1.00 0.00 H new ATOM 0 HD21 LEU A 71 18.185 3.440 41.256 1.00 0.00 H new ATOM 0 HD22 LEU A 71 18.728 3.750 39.590 1.00 0.00 H new ATOM 0 HD23 LEU A 71 19.856 3.969 40.949 1.00 0.00 H new ATOM 1114 N THR A 72 21.089 6.607 37.548 1.00 0.00 N ATOM 1115 CA THR A 72 22.221 7.155 36.813 1.00 0.00 C ATOM 1116 C THR A 72 21.822 7.536 35.392 1.00 0.00 C ATOM 1117 O THR A 72 20.784 7.104 34.891 1.00 0.00 O ATOM 1118 CB THR A 72 23.390 6.153 36.753 1.00 0.00 C ATOM 1119 OG1 THR A 72 24.619 6.848 36.512 1.00 0.00 O ATOM 1120 CG2 THR A 72 23.163 5.121 35.660 1.00 0.00 C ATOM 0 H THR A 72 21.269 5.704 37.987 1.00 0.00 H new ATOM 0 HA THR A 72 22.543 8.048 37.349 1.00 0.00 H new ATOM 0 HB THR A 72 23.446 5.637 37.711 1.00 0.00 H new ATOM 0 HG1 THR A 72 25.357 6.204 36.477 1.00 0.00 H new ATOM 0 HG21 THR A 72 24.001 4.425 35.637 1.00 0.00 H new ATOM 0 HG22 THR A 72 22.242 4.574 35.862 1.00 0.00 H new ATOM 0 HG23 THR A 72 23.082 5.624 34.696 1.00 0.00 H new ATOM 1128 N GLY A 73 22.653 8.349 34.746 1.00 0.00 N ATOM 1129 CA GLY A 73 22.368 8.774 33.388 1.00 0.00 C ATOM 1130 C GLY A 73 21.315 9.863 33.330 1.00 0.00 C ATOM 1131 O GLY A 73 21.638 11.050 33.377 1.00 0.00 O ATOM 0 H GLY A 73 23.518 8.721 35.139 1.00 0.00 H new ATOM 0 HA2 GLY A 73 23.286 9.135 32.924 1.00 0.00 H new ATOM 0 HA3 GLY A 73 22.032 7.916 32.805 1.00 0.00 H new ATOM 1135 N GLN A 74 20.053 9.459 33.226 1.00 0.00 N ATOM 1136 CA GLN A 74 18.950 10.410 33.159 1.00 0.00 C ATOM 1137 C GLN A 74 17.859 10.050 34.162 1.00 0.00 C ATOM 1138 O GLN A 74 18.017 9.130 34.965 1.00 0.00 O ATOM 1139 CB GLN A 74 18.367 10.449 31.745 1.00 0.00 C ATOM 1140 CG GLN A 74 18.852 11.630 30.920 1.00 0.00 C ATOM 1141 CD GLN A 74 17.712 12.435 30.327 1.00 0.00 C ATOM 1142 OE1 GLN A 74 17.159 12.077 29.287 1.00 0.00 O ATOM 1143 NE2 GLN A 74 17.354 13.529 30.989 1.00 0.00 N ATOM 0 H GLN A 74 19.769 8.480 33.186 1.00 0.00 H new ATOM 0 HA GLN A 74 19.339 11.397 33.411 1.00 0.00 H new ATOM 0 HB2 GLN A 74 18.626 9.525 31.228 1.00 0.00 H new ATOM 0 HB3 GLN A 74 17.280 10.484 31.810 1.00 0.00 H new ATOM 0 HG2 GLN A 74 19.463 12.280 31.547 1.00 0.00 H new ATOM 0 HG3 GLN A 74 19.493 11.268 30.116 1.00 0.00 H new ATOM 0 HE21 GLN A 74 17.840 13.788 31.847 1.00 0.00 H new ATOM 0 HE22 GLN A 74 16.593 14.111 30.639 1.00 0.00 H new ATOM 1152 N THR A 75 16.750 10.782 34.111 1.00 0.00 N ATOM 1153 CA THR A 75 15.633 10.540 35.015 1.00 0.00 C ATOM 1154 C THR A 75 15.404 9.047 35.221 1.00 0.00 C ATOM 1155 O THR A 75 15.849 8.226 34.419 1.00 0.00 O ATOM 1156 CB THR A 75 14.335 11.179 34.487 1.00 0.00 C ATOM 1157 OG1 THR A 75 13.216 10.724 35.258 1.00 0.00 O ATOM 1158 CG2 THR A 75 14.120 10.836 33.021 1.00 0.00 C ATOM 0 H THR A 75 16.602 11.547 33.453 1.00 0.00 H new ATOM 0 HA THR A 75 15.894 10.999 35.969 1.00 0.00 H new ATOM 0 HB THR A 75 14.425 12.261 34.581 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.395 11.136 34.917 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.197 11.298 32.671 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.959 11.209 32.433 1.00 0.00 H new ATOM 0 HG23 THR A 75 14.050 9.754 32.907 1.00 0.00 H new ATOM 1166 N ARG A 76 14.708 8.703 36.299 1.00 0.00 N ATOM 1167 CA ARG A 76 14.421 7.308 36.609 1.00 0.00 C ATOM 1168 C ARG A 76 13.685 6.634 35.455 1.00 0.00 C ATOM 1169 O ARG A 76 12.646 7.115 35.003 1.00 0.00 O ATOM 1170 CB ARG A 76 13.585 7.209 37.887 1.00 0.00 C ATOM 1171 CG ARG A 76 14.408 6.920 39.132 1.00 0.00 C ATOM 1172 CD ARG A 76 13.645 7.274 40.399 1.00 0.00 C ATOM 1173 NE ARG A 76 12.200 7.157 40.218 1.00 0.00 N ATOM 1174 CZ ARG A 76 11.312 7.800 40.967 1.00 0.00 C ATOM 1175 NH1 ARG A 76 11.718 8.602 41.942 1.00 0.00 N ATOM 1176 NH2 ARG A 76 10.014 7.642 40.742 1.00 0.00 N ATOM 0 H ARG A 76 14.332 9.371 36.972 1.00 0.00 H new ATOM 0 HA ARG A 76 15.370 6.794 36.762 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.042 8.143 38.029 1.00 0.00 H new ATOM 0 HB3 ARG A 76 12.840 6.423 37.764 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.680 5.865 39.153 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.337 7.488 39.095 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.963 6.618 41.209 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.892 8.293 40.698 1.00 0.00 H new ATOM 0 HE ARG A 76 11.855 6.548 39.476 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.715 8.726 42.118 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.033 9.095 42.516 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.697 7.026 39.993 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.333 8.136 41.318 1.00 0.00 H new ATOM 1190 N ARG A 77 14.232 5.519 34.982 1.00 0.00 N ATOM 1191 CA ARG A 77 13.629 4.780 33.879 1.00 0.00 C ATOM 1192 C ARG A 77 13.472 3.305 34.234 1.00 0.00 C ATOM 1193 O ARG A 77 14.423 2.655 34.669 1.00 0.00 O ATOM 1194 CB ARG A 77 14.479 4.924 32.615 1.00 0.00 C ATOM 1195 CG ARG A 77 14.548 6.347 32.086 1.00 0.00 C ATOM 1196 CD ARG A 77 15.598 6.485 30.995 1.00 0.00 C ATOM 1197 NE ARG A 77 15.107 6.021 29.700 1.00 0.00 N ATOM 1198 CZ ARG A 77 15.887 5.845 28.639 1.00 0.00 C ATOM 1199 NH1 ARG A 77 17.186 6.094 28.718 1.00 0.00 N ATOM 1200 NH2 ARG A 77 15.366 5.420 27.495 1.00 0.00 N ATOM 0 H ARG A 77 15.092 5.107 35.345 1.00 0.00 H new ATOM 0 HA ARG A 77 12.640 5.198 33.693 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.490 4.574 32.825 1.00 0.00 H new ATOM 0 HB3 ARG A 77 14.073 4.276 31.838 1.00 0.00 H new ATOM 0 HG2 ARG A 77 13.574 6.638 31.694 1.00 0.00 H new ATOM 0 HG3 ARG A 77 14.779 7.030 32.904 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.902 7.529 30.915 1.00 0.00 H new ATOM 0 HD3 ARG A 77 16.485 5.915 31.272 1.00 0.00 H new ATOM 0 HE ARG A 77 14.111 5.821 29.605 1.00 0.00 H new ATOM 0 HH11 ARG A 77 17.590 6.422 29.595 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.782 5.958 27.902 1.00 0.00 H new ATOM 0 HH21 ARG A 77 14.366 5.228 27.430 1.00 0.00 H new ATOM 0 HH22 ARG A 77 15.965 5.285 26.681 1.00 0.00 H new ATOM 1214 N LEU A 78 12.265 2.782 34.047 1.00 0.00 N ATOM 1215 CA LEU A 78 11.982 1.383 34.348 1.00 0.00 C ATOM 1216 C LEU A 78 12.864 0.458 33.516 1.00 0.00 C ATOM 1217 O LEU A 78 12.699 0.351 32.301 1.00 0.00 O ATOM 1218 CB LEU A 78 10.507 1.072 34.085 1.00 0.00 C ATOM 1219 CG LEU A 78 9.996 -0.264 34.626 1.00 0.00 C ATOM 1220 CD1 LEU A 78 10.954 -1.388 34.264 1.00 0.00 C ATOM 1221 CD2 LEU A 78 9.804 -0.190 36.134 1.00 0.00 C ATOM 0 H LEU A 78 11.467 3.306 33.688 1.00 0.00 H new ATOM 0 HA LEU A 78 12.201 1.213 35.402 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.905 1.871 34.518 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.338 1.094 33.008 1.00 0.00 H new ATOM 0 HG LEU A 78 9.030 -0.475 34.166 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.574 -2.331 34.657 1.00 0.00 H new ATOM 0 HD12 LEU A 78 11.042 -1.456 33.180 1.00 0.00 H new ATOM 0 HD13 LEU A 78 11.934 -1.184 34.695 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.440 -1.149 36.502 1.00 0.00 H new ATOM 0 HD22 LEU A 78 10.756 0.044 36.611 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.078 0.588 36.371 1.00 0.00 H new ATOM 1233 N LYS A 79 13.802 -0.211 34.179 1.00 0.00 N ATOM 1234 CA LYS A 79 14.709 -1.131 33.502 1.00 0.00 C ATOM 1235 C LYS A 79 13.957 -2.353 32.982 1.00 0.00 C ATOM 1236 O LYS A 79 13.119 -2.921 33.681 1.00 0.00 O ATOM 1237 CB LYS A 79 15.824 -1.572 34.453 1.00 0.00 C ATOM 1238 CG LYS A 79 16.711 -0.431 34.921 1.00 0.00 C ATOM 1239 CD LYS A 79 17.082 -0.578 36.387 1.00 0.00 C ATOM 1240 CE LYS A 79 17.429 -2.018 36.733 1.00 0.00 C ATOM 1241 NZ LYS A 79 16.283 -2.727 37.367 1.00 0.00 N ATOM 0 H LYS A 79 13.954 -0.133 35.185 1.00 0.00 H new ATOM 0 HA LYS A 79 15.149 -0.609 32.653 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.378 -2.055 35.323 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.441 -2.320 33.954 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.618 -0.402 34.317 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.196 0.517 34.768 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.931 0.067 36.615 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.252 -0.243 37.009 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.728 -2.547 35.828 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.284 -2.033 37.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.596 -3.166 38.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.521 -2.047 37.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.931 -3.463 36.722 1.00 0.00 H new ATOM 1255 N MET A 80 14.265 -2.752 31.753 1.00 0.00 N ATOM 1256 CA MET A 80 13.620 -3.908 31.141 1.00 0.00 C ATOM 1257 C MET A 80 13.797 -5.151 32.008 1.00 0.00 C ATOM 1258 O MET A 80 13.002 -6.088 31.934 1.00 0.00 O ATOM 1259 CB MET A 80 14.193 -4.159 29.745 1.00 0.00 C ATOM 1260 CG MET A 80 15.410 -5.071 29.743 1.00 0.00 C ATOM 1261 SD MET A 80 16.525 -4.738 28.366 1.00 0.00 S ATOM 1262 CE MET A 80 17.310 -3.228 28.923 1.00 0.00 C ATOM 0 H MET A 80 14.957 -2.292 31.161 1.00 0.00 H new ATOM 0 HA MET A 80 12.554 -3.695 31.055 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.418 -4.599 29.117 1.00 0.00 H new ATOM 0 HB3 MET A 80 14.464 -3.204 29.295 1.00 0.00 H new ATOM 0 HG2 MET A 80 15.951 -4.950 30.681 1.00 0.00 H new ATOM 0 HG3 MET A 80 15.081 -6.109 29.696 1.00 0.00 H new ATOM 0 HE1 MET A 80 18.181 -3.020 28.301 1.00 0.00 H new ATOM 0 HE2 MET A 80 16.604 -2.401 28.847 1.00 0.00 H new ATOM 0 HE3 MET A 80 17.624 -3.343 29.960 1.00 0.00 H new ATOM 1272 N ASP A 81 14.842 -5.151 32.827 1.00 0.00 N ATOM 1273 CA ASP A 81 15.122 -6.278 33.709 1.00 0.00 C ATOM 1274 C ASP A 81 14.598 -6.011 35.116 1.00 0.00 C ATOM 1275 O ASP A 81 15.042 -6.630 36.082 1.00 0.00 O ATOM 1276 CB ASP A 81 16.626 -6.555 33.755 1.00 0.00 C ATOM 1277 CG ASP A 81 17.054 -7.599 32.742 1.00 0.00 C ATOM 1278 OD1 ASP A 81 16.830 -8.801 32.997 1.00 0.00 O ATOM 1279 OD2 ASP A 81 17.612 -7.213 31.694 1.00 0.00 O ATOM 0 H ASP A 81 15.510 -4.383 32.899 1.00 0.00 H new ATOM 0 HA ASP A 81 14.611 -7.155 33.311 1.00 0.00 H new ATOM 0 HB2 ASP A 81 17.169 -5.628 33.569 1.00 0.00 H new ATOM 0 HB3 ASP A 81 16.900 -6.890 34.755 1.00 0.00 H new ATOM 1284 N ALA A 82 13.651 -5.085 35.224 1.00 0.00 N ATOM 1285 CA ALA A 82 13.066 -4.737 36.512 1.00 0.00 C ATOM 1286 C ALA A 82 11.678 -5.350 36.669 1.00 0.00 C ATOM 1287 O ALA A 82 10.840 -5.251 35.772 1.00 0.00 O ATOM 1288 CB ALA A 82 12.997 -3.225 36.669 1.00 0.00 C ATOM 0 H ALA A 82 13.273 -4.562 34.434 1.00 0.00 H new ATOM 0 HA ALA A 82 13.705 -5.145 37.295 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.558 -2.979 37.636 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.002 -2.807 36.610 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.382 -2.804 35.874 1.00 0.00 H new ATOM 1294 N VAL A 83 11.442 -5.984 37.813 1.00 0.00 N ATOM 1295 CA VAL A 83 10.156 -6.613 38.087 1.00 0.00 C ATOM 1296 C VAL A 83 9.533 -6.058 39.362 1.00 0.00 C ATOM 1297 O VAL A 83 10.225 -5.620 40.281 1.00 0.00 O ATOM 1298 CB VAL A 83 10.296 -8.141 38.220 1.00 0.00 C ATOM 1299 CG1 VAL A 83 9.759 -8.837 36.979 1.00 0.00 C ATOM 1300 CG2 VAL A 83 11.747 -8.523 38.471 1.00 0.00 C ATOM 0 H VAL A 83 12.125 -6.076 38.565 1.00 0.00 H new ATOM 0 HA VAL A 83 9.507 -6.387 37.241 1.00 0.00 H new ATOM 0 HB VAL A 83 9.705 -8.470 39.075 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.867 -9.916 37.092 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.706 -8.589 36.850 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.320 -8.506 36.105 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.827 -9.606 38.562 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.362 -8.182 37.638 1.00 0.00 H new ATOM 0 HG23 VAL A 83 12.092 -8.054 39.393 1.00 0.00 H new ATOM 1310 N PRO A 84 8.193 -6.075 39.423 1.00 0.00 N ATOM 1311 CA PRO A 84 7.446 -5.577 40.582 1.00 0.00 C ATOM 1312 C PRO A 84 7.610 -6.472 41.805 1.00 0.00 C ATOM 1313 O PRO A 84 6.801 -7.369 42.045 1.00 0.00 O ATOM 1314 CB PRO A 84 5.993 -5.591 40.100 1.00 0.00 C ATOM 1315 CG PRO A 84 5.958 -6.630 39.033 1.00 0.00 C ATOM 1316 CD PRO A 84 7.304 -6.583 38.364 1.00 0.00 C ATOM 0 HA PRO A 84 7.795 -4.594 40.900 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.309 -5.835 40.913 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.695 -4.616 39.714 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.766 -7.616 39.455 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.160 -6.429 38.318 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.615 -7.568 38.017 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.298 -5.926 37.495 1.00 0.00 H new ATOM 1324 N THR A 85 8.663 -6.224 42.578 1.00 0.00 N ATOM 1325 CA THR A 85 8.934 -7.007 43.776 1.00 0.00 C ATOM 1326 C THR A 85 8.041 -6.571 44.932 1.00 0.00 C ATOM 1327 O THR A 85 8.220 -7.012 46.068 1.00 0.00 O ATOM 1328 CB THR A 85 10.408 -6.884 44.207 1.00 0.00 C ATOM 1329 OG1 THR A 85 10.695 -5.535 44.592 1.00 0.00 O ATOM 1330 CG2 THR A 85 11.338 -7.304 43.079 1.00 0.00 C ATOM 0 H THR A 85 9.343 -5.486 42.395 1.00 0.00 H new ATOM 0 HA THR A 85 8.721 -8.047 43.528 1.00 0.00 H new ATOM 0 HB THR A 85 10.572 -7.546 45.057 1.00 0.00 H new ATOM 0 HG1 THR A 85 11.633 -5.466 44.866 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.373 -7.209 43.406 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.137 -8.341 42.808 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.171 -6.664 42.213 1.00 0.00 H new ATOM 1338 N ILE A 86 7.079 -5.705 44.635 1.00 0.00 N ATOM 1339 CA ILE A 86 6.156 -5.211 45.650 1.00 0.00 C ATOM 1340 C ILE A 86 4.721 -5.210 45.135 1.00 0.00 C ATOM 1341 O ILE A 86 4.481 -5.079 43.934 1.00 0.00 O ATOM 1342 CB ILE A 86 6.528 -3.787 46.103 1.00 0.00 C ATOM 1343 CG1 ILE A 86 8.048 -3.626 46.159 1.00 0.00 C ATOM 1344 CG2 ILE A 86 5.908 -3.485 47.460 1.00 0.00 C ATOM 1345 CD1 ILE A 86 8.615 -2.840 44.998 1.00 0.00 C ATOM 0 H ILE A 86 6.918 -5.331 43.700 1.00 0.00 H new ATOM 0 HA ILE A 86 6.233 -5.887 46.502 1.00 0.00 H new ATOM 0 HB ILE A 86 6.133 -3.076 45.377 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.319 -3.129 47.091 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.509 -4.613 46.179 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.180 -2.475 47.767 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.823 -3.564 47.390 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.277 -4.200 48.196 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.697 -2.765 45.103 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.375 -3.347 44.064 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.182 -1.840 44.989 1.00 0.00 H new ATOM 1357 N PHE A 87 3.769 -5.357 46.051 1.00 0.00 N ATOM 1358 CA PHE A 87 2.356 -5.372 45.689 1.00 0.00 C ATOM 1359 C PHE A 87 1.476 -5.282 46.932 1.00 0.00 C ATOM 1360 O PHE A 87 0.750 -4.306 47.123 1.00 0.00 O ATOM 1361 CB PHE A 87 2.023 -6.642 44.905 1.00 0.00 C ATOM 1362 CG PHE A 87 1.894 -6.417 43.425 1.00 0.00 C ATOM 1363 CD1 PHE A 87 1.025 -5.458 42.930 1.00 0.00 C ATOM 1364 CD2 PHE A 87 2.642 -7.163 42.529 1.00 0.00 C ATOM 1365 CE1 PHE A 87 0.904 -5.249 41.570 1.00 0.00 C ATOM 1366 CE2 PHE A 87 2.526 -6.958 41.167 1.00 0.00 C ATOM 1367 CZ PHE A 87 1.656 -5.999 40.687 1.00 0.00 C ATOM 0 H PHE A 87 3.950 -5.467 47.049 1.00 0.00 H new ATOM 0 HA PHE A 87 2.157 -4.503 45.061 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.800 -7.385 45.085 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.090 -7.059 45.284 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.436 -4.867 43.615 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.324 -7.914 42.899 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.222 -4.499 41.197 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.115 -7.547 40.479 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.564 -5.836 39.623 1.00 0.00 H new ATOM 1377 N ASP A 88 1.546 -6.308 47.774 1.00 0.00 N ATOM 1378 CA ASP A 88 0.756 -6.346 49.000 1.00 0.00 C ATOM 1379 C ASP A 88 1.639 -6.655 50.205 1.00 0.00 C ATOM 1380 O ASP A 88 2.607 -7.408 50.102 1.00 0.00 O ATOM 1381 CB ASP A 88 -0.354 -7.391 48.884 1.00 0.00 C ATOM 1382 CG ASP A 88 -1.648 -6.806 48.352 1.00 0.00 C ATOM 1383 OD1 ASP A 88 -2.346 -6.115 49.123 1.00 0.00 O ATOM 1384 OD2 ASP A 88 -1.962 -7.038 47.166 1.00 0.00 O ATOM 0 H ASP A 88 2.141 -7.124 47.630 1.00 0.00 H new ATOM 0 HA ASP A 88 0.306 -5.364 49.144 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.025 -8.195 48.226 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.535 -7.835 49.863 1.00 0.00 H new ATOM 1389 N PHE A 89 1.298 -6.066 51.347 1.00 0.00 N ATOM 1390 CA PHE A 89 2.061 -6.277 52.572 1.00 0.00 C ATOM 1391 C PHE A 89 3.449 -5.653 52.462 1.00 0.00 C ATOM 1392 O PHE A 89 4.285 -6.108 51.680 1.00 0.00 O ATOM 1393 CB PHE A 89 2.183 -7.772 52.872 1.00 0.00 C ATOM 1394 CG PHE A 89 1.537 -8.179 54.166 1.00 0.00 C ATOM 1395 CD1 PHE A 89 1.927 -7.599 55.362 1.00 0.00 C ATOM 1396 CD2 PHE A 89 0.540 -9.141 54.185 1.00 0.00 C ATOM 1397 CE1 PHE A 89 1.334 -7.971 56.554 1.00 0.00 C ATOM 1398 CE2 PHE A 89 -0.056 -9.517 55.374 1.00 0.00 C ATOM 1399 CZ PHE A 89 0.342 -8.932 56.560 1.00 0.00 C ATOM 0 H PHE A 89 0.499 -5.440 51.449 1.00 0.00 H new ATOM 0 HA PHE A 89 1.528 -5.793 53.390 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.731 -8.336 52.056 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.238 -8.044 52.901 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.703 -6.848 55.363 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.225 -9.602 53.261 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.646 -7.511 57.480 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.832 -10.268 55.376 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.122 -9.225 57.490 1.00 0.00 H new ATOM 1409 N CYS A 90 3.687 -4.611 53.251 1.00 0.00 N ATOM 1410 CA CYS A 90 4.974 -3.924 53.242 1.00 0.00 C ATOM 1411 C CYS A 90 5.272 -3.311 54.606 1.00 0.00 C ATOM 1412 O CYS A 90 6.130 -3.797 55.344 1.00 0.00 O ATOM 1413 CB CYS A 90 4.987 -2.837 52.167 1.00 0.00 C ATOM 1414 SG CYS A 90 6.540 -2.728 51.246 1.00 0.00 S ATOM 0 H CYS A 90 3.006 -4.224 53.905 1.00 0.00 H new ATOM 0 HA CYS A 90 5.748 -4.657 53.016 1.00 0.00 H new ATOM 0 HB2 CYS A 90 4.174 -3.025 51.466 1.00 0.00 H new ATOM 0 HB3 CYS A 90 4.787 -1.874 52.637 1.00 0.00 H new ATOM 0 HG CYS A 90 6.453 -1.782 50.359 1.00 0.00 H new ATOM 1420 N THR A 91 4.559 -2.238 54.936 1.00 0.00 N ATOM 1421 CA THR A 91 4.749 -1.556 56.210 1.00 0.00 C ATOM 1422 C THR A 91 3.449 -1.501 57.003 1.00 0.00 C ATOM 1423 O THR A 91 2.387 -1.872 56.501 1.00 0.00 O ATOM 1424 CB THR A 91 5.274 -0.122 56.007 1.00 0.00 C ATOM 1425 OG1 THR A 91 5.834 0.013 54.696 1.00 0.00 O ATOM 1426 CG2 THR A 91 6.325 0.223 57.051 1.00 0.00 C ATOM 0 H THR A 91 3.845 -1.823 54.338 1.00 0.00 H new ATOM 0 HA THR A 91 5.488 -2.130 56.768 1.00 0.00 H new ATOM 0 HB THR A 91 4.437 0.567 56.117 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.164 0.928 54.574 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.681 1.240 56.887 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.887 0.148 58.046 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.161 -0.471 56.969 1.00 0.00 H new ATOM 1434 N HIS A 92 3.538 -1.037 58.245 1.00 0.00 N ATOM 1435 CA HIS A 92 2.367 -0.932 59.109 1.00 0.00 C ATOM 1436 C HIS A 92 1.675 -2.285 59.252 1.00 0.00 C ATOM 1437 O HIS A 92 2.114 -3.281 58.676 1.00 0.00 O ATOM 1438 CB HIS A 92 1.385 0.098 58.550 1.00 0.00 C ATOM 1439 CG HIS A 92 1.815 1.516 58.770 1.00 0.00 C ATOM 1440 ND1 HIS A 92 1.144 2.597 58.240 1.00 0.00 N ATOM 1441 CD2 HIS A 92 2.856 2.027 59.469 1.00 0.00 C ATOM 1442 CE1 HIS A 92 1.753 3.712 58.602 1.00 0.00 C ATOM 1443 NE2 HIS A 92 2.795 3.394 59.349 1.00 0.00 N ATOM 0 H HIS A 92 4.409 -0.727 58.676 1.00 0.00 H new ATOM 0 HA HIS A 92 2.701 -0.607 60.094 1.00 0.00 H new ATOM 0 HB2 HIS A 92 1.261 -0.074 57.481 1.00 0.00 H new ATOM 0 HB3 HIS A 92 0.410 -0.053 59.013 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.596 1.465 60.019 1.00 0.00 H new ATOM 0 HE1 HIS A 92 1.450 4.713 58.333 1.00 0.00 H new ATOM 0 HE2 HIS A 92 3.448 4.056 59.768 1.00 0.00 H new ATOM 1451 N ILE A 93 0.594 -2.312 60.024 1.00 0.00 N ATOM 1452 CA ILE A 93 -0.157 -3.542 60.242 1.00 0.00 C ATOM 1453 C ILE A 93 -1.376 -3.611 59.329 1.00 0.00 C ATOM 1454 O ILE A 93 -2.342 -2.871 59.509 1.00 0.00 O ATOM 1455 CB ILE A 93 -0.619 -3.667 61.706 1.00 0.00 C ATOM 1456 CG1 ILE A 93 -1.049 -2.302 62.247 1.00 0.00 C ATOM 1457 CG2 ILE A 93 0.492 -4.256 62.563 1.00 0.00 C ATOM 1458 CD1 ILE A 93 -2.178 -2.378 63.251 1.00 0.00 C ATOM 0 H ILE A 93 0.219 -1.497 60.509 1.00 0.00 H new ATOM 0 HA ILE A 93 0.515 -4.368 60.009 1.00 0.00 H new ATOM 0 HB ILE A 93 -1.477 -4.338 61.745 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.191 -1.818 62.714 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.357 -1.670 61.414 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.151 -4.338 63.595 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.755 -5.245 62.188 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.367 -3.607 62.521 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.430 -1.374 63.592 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.051 -2.832 62.783 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -1.867 -2.983 64.103 1.00 0.00 H new ATOM 1470 N SER A 94 -1.324 -4.508 58.349 1.00 0.00 N ATOM 1471 CA SER A 94 -2.423 -4.673 57.405 1.00 0.00 C ATOM 1472 C SER A 94 -3.536 -5.524 58.010 1.00 0.00 C ATOM 1473 O SER A 94 -3.276 -6.452 58.775 1.00 0.00 O ATOM 1474 CB SER A 94 -1.920 -5.317 56.111 1.00 0.00 C ATOM 1475 OG SER A 94 -1.546 -4.332 55.164 1.00 0.00 O ATOM 0 H SER A 94 -0.533 -5.131 58.188 1.00 0.00 H new ATOM 0 HA SER A 94 -2.826 -3.686 57.179 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.067 -5.960 56.328 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.699 -5.953 55.691 1.00 0.00 H new ATOM 0 HG SER A 94 -1.227 -4.768 54.347 1.00 0.00 H new ATOM 1481 N GLY A 95 -4.777 -5.198 57.662 1.00 0.00 N ATOM 1482 CA GLY A 95 -5.911 -5.941 58.180 1.00 0.00 C ATOM 1483 C GLY A 95 -7.104 -5.905 57.245 1.00 0.00 C ATOM 1484 O GLY A 95 -7.108 -5.198 56.237 1.00 0.00 O ATOM 0 H GLY A 95 -5.017 -4.433 57.031 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -5.616 -6.977 58.348 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.199 -5.530 59.148 1.00 0.00 H new ATOM 1488 N PRO A 96 -8.145 -6.683 57.576 1.00 0.00 N ATOM 1489 CA PRO A 96 -9.367 -6.756 56.771 1.00 0.00 C ATOM 1490 C PRO A 96 -10.182 -5.469 56.837 1.00 0.00 C ATOM 1491 O PRO A 96 -10.530 -4.999 57.920 1.00 0.00 O ATOM 1492 CB PRO A 96 -10.142 -7.914 57.405 1.00 0.00 C ATOM 1493 CG PRO A 96 -9.651 -7.972 58.810 1.00 0.00 C ATOM 1494 CD PRO A 96 -8.208 -7.552 58.763 1.00 0.00 C ATOM 0 HA PRO A 96 -9.150 -6.900 55.713 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -11.217 -7.738 57.368 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -9.954 -8.851 56.881 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -10.230 -7.309 59.453 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -9.751 -8.978 59.217 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -7.915 -7.019 59.667 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -7.542 -8.410 58.669 1.00 0.00 H new ATOM 1502 N SER A 97 -10.484 -4.904 55.672 1.00 0.00 N ATOM 1503 CA SER A 97 -11.257 -3.670 55.599 1.00 0.00 C ATOM 1504 C SER A 97 -11.885 -3.503 54.219 1.00 0.00 C ATOM 1505 O SER A 97 -12.186 -2.388 53.792 1.00 0.00 O ATOM 1506 CB SER A 97 -10.366 -2.467 55.915 1.00 0.00 C ATOM 1507 OG SER A 97 -9.178 -2.495 55.143 1.00 0.00 O ATOM 0 H SER A 97 -10.205 -5.281 54.766 1.00 0.00 H new ATOM 0 HA SER A 97 -12.056 -3.726 56.338 1.00 0.00 H new ATOM 0 HB2 SER A 97 -10.911 -1.544 55.716 1.00 0.00 H new ATOM 0 HB3 SER A 97 -10.114 -2.466 56.976 1.00 0.00 H new ATOM 0 HG SER A 97 -8.627 -1.715 55.362 1.00 0.00 H new ATOM 1513 N SER A 98 -12.079 -4.620 53.525 1.00 0.00 N ATOM 1514 CA SER A 98 -12.667 -4.599 52.191 1.00 0.00 C ATOM 1515 C SER A 98 -13.968 -5.396 52.158 1.00 0.00 C ATOM 1516 O SER A 98 -14.168 -6.312 52.955 1.00 0.00 O ATOM 1517 CB SER A 98 -11.682 -5.165 51.167 1.00 0.00 C ATOM 1518 OG SER A 98 -10.478 -4.419 51.150 1.00 0.00 O ATOM 0 H SER A 98 -11.837 -5.551 53.865 1.00 0.00 H new ATOM 0 HA SER A 98 -12.890 -3.563 51.935 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.465 -6.206 51.404 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.135 -5.152 50.176 1.00 0.00 H new ATOM 0 HG SER A 98 -9.865 -4.802 50.488 1.00 0.00 H new ATOM 1524 N GLY A 99 -14.850 -5.041 51.229 1.00 0.00 N ATOM 1525 CA GLY A 99 -16.120 -5.732 51.108 1.00 0.00 C ATOM 1526 C GLY A 99 -16.423 -6.142 49.681 1.00 0.00 C ATOM 1527 O GLY A 99 -15.491 -6.346 48.905 1.00 0.00 O ATOM 0 H GLY A 99 -14.707 -4.287 50.558 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.110 -6.618 51.743 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.918 -5.086 51.474 1.00 0.00 H new TER 1531 GLY A 99 HETATM 1532 ZN ZN A 401 -1.451 0.355 40.121 1.00 0.00 ZN