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 28 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 30 HIS : no HE2:sc= -5.16! C(o=-5.2!,f=-7.2!) USER MOD Set 1.3: A 61 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 5 SER OG : rot 180:sc= 0.143 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 153:sc= -0.0601 (180deg=-0.837) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.532 USER MOD Single : A 11 ASN :FLIP amide:sc= -1.66! C(o=-2.6!,f=-1.7!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.166 K(o=-0.17,f=-1.1) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= -0.319 X(o=-0.32,f=-0.21) USER MOD Single : A 26 ASN : amide:sc= -0.0773 X(o=-0.077,f=-0.077) USER MOD Single : A 37 LYS NZ :NH3+ -121:sc= 0.502 (180deg=0) 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= -0.322 K(o=-0.32,f=-3.2!) USER MOD Single : A 55 LYS NZ :NH3+ -156:sc= -0.0382 (180deg=-0.295) USER MOD Single : A 56 HIS :FLIP no HE2:sc= -4.19! C(o=-5.4!,f=-4.2!) USER MOD Single : A 57 THR OG1 : rot -150:sc= 0.0673 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 -144:sc= 0.224 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.327 USER MOD Single : A 79 LYS NZ :NH3+ -105:sc= -0.123 (180deg=-1.85!) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) 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= 0.00271 USER MOD Single : A 92 HIS :FLIP no HD1:sc= -0.0901 F(o=-0.63,f=-0.09) USER MOD Single : A 94 SER OG : rot 87:sc= -0.593! 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 6.703 15.318 20.368 1.00 0.00 N ATOM 2 CA GLY A 1 5.845 14.197 20.030 1.00 0.00 C ATOM 3 C GLY A 1 6.533 12.861 20.226 1.00 0.00 C ATOM 4 O GLY A 1 7.550 12.580 19.591 1.00 0.00 O ATOM 0 H1 GLY A 1 6.187 16.208 20.217 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.989 15.248 21.366 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.549 15.302 19.764 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.946 14.233 20.645 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.525 14.289 18.992 1.00 0.00 H new ATOM 8 N SER A 2 5.978 12.035 21.107 1.00 0.00 N ATOM 9 CA SER A 2 6.548 10.723 21.389 1.00 0.00 C ATOM 10 C SER A 2 5.619 9.612 20.909 1.00 0.00 C ATOM 11 O SER A 2 5.800 9.062 19.823 1.00 0.00 O ATOM 12 CB SER A 2 6.813 10.569 22.888 1.00 0.00 C ATOM 13 OG SER A 2 8.199 10.655 23.172 1.00 0.00 O ATOM 0 H SER A 2 5.134 12.251 21.638 1.00 0.00 H new ATOM 0 HA SER A 2 7.492 10.642 20.850 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.277 11.344 23.437 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.427 9.610 23.232 1.00 0.00 H new ATOM 0 HG SER A 2 8.342 10.555 24.136 1.00 0.00 H new ATOM 19 N SER A 3 4.622 9.289 21.727 1.00 0.00 N ATOM 20 CA SER A 3 3.665 8.242 21.388 1.00 0.00 C ATOM 21 C SER A 3 2.701 8.716 20.305 1.00 0.00 C ATOM 22 O SER A 3 1.850 9.571 20.547 1.00 0.00 O ATOM 23 CB SER A 3 2.883 7.816 22.632 1.00 0.00 C ATOM 24 OG SER A 3 1.897 6.850 22.309 1.00 0.00 O ATOM 0 H SER A 3 4.456 9.737 22.628 1.00 0.00 H new ATOM 0 HA SER A 3 4.221 7.386 21.005 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.569 7.406 23.374 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.409 8.687 23.083 1.00 0.00 H new ATOM 0 HG SER A 3 1.412 6.593 23.121 1.00 0.00 H new ATOM 30 N GLY A 4 2.842 8.154 19.109 1.00 0.00 N ATOM 31 CA GLY A 4 1.978 8.531 18.005 1.00 0.00 C ATOM 32 C GLY A 4 1.067 7.400 17.570 1.00 0.00 C ATOM 33 O GLY A 4 0.603 7.371 16.430 1.00 0.00 O ATOM 0 H GLY A 4 3.539 7.444 18.884 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.373 9.389 18.298 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.590 8.846 17.160 1.00 0.00 H new ATOM 37 N SER A 5 0.810 6.465 18.479 1.00 0.00 N ATOM 38 CA SER A 5 -0.047 5.324 18.181 1.00 0.00 C ATOM 39 C SER A 5 -1.499 5.764 18.015 1.00 0.00 C ATOM 40 O SER A 5 -1.797 6.957 17.973 1.00 0.00 O ATOM 41 CB SER A 5 0.056 4.277 19.292 1.00 0.00 C ATOM 42 OG SER A 5 0.862 4.745 20.360 1.00 0.00 O ATOM 0 H SER A 5 1.183 6.475 19.428 1.00 0.00 H new ATOM 0 HA SER A 5 0.291 4.883 17.243 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.940 4.036 19.663 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.478 3.356 18.890 1.00 0.00 H new ATOM 0 HG SER A 5 0.911 4.059 21.058 1.00 0.00 H new ATOM 48 N SER A 6 -2.398 4.790 17.920 1.00 0.00 N ATOM 49 CA SER A 6 -3.819 5.075 17.754 1.00 0.00 C ATOM 50 C SER A 6 -4.435 5.547 19.068 1.00 0.00 C ATOM 51 O SER A 6 -4.814 6.709 19.206 1.00 0.00 O ATOM 52 CB SER A 6 -4.555 3.831 17.251 1.00 0.00 C ATOM 53 OG SER A 6 -5.874 4.150 16.843 1.00 0.00 O ATOM 0 H SER A 6 -2.168 3.797 17.955 1.00 0.00 H new ATOM 0 HA SER A 6 -3.921 5.872 17.017 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.008 3.394 16.416 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.587 3.079 18.040 1.00 0.00 H new ATOM 0 HG SER A 6 -6.323 3.339 16.524 1.00 0.00 H new ATOM 59 N GLY A 7 -4.532 4.635 20.031 1.00 0.00 N ATOM 60 CA GLY A 7 -5.103 4.976 21.321 1.00 0.00 C ATOM 61 C GLY A 7 -4.053 5.082 22.409 1.00 0.00 C ATOM 62 O GLY A 7 -2.866 4.874 22.159 1.00 0.00 O ATOM 0 H GLY A 7 -4.225 3.666 19.941 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.635 5.924 21.240 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.837 4.221 21.601 1.00 0.00 H new ATOM 66 N MET A 8 -4.491 5.406 23.621 1.00 0.00 N ATOM 67 CA MET A 8 -3.580 5.539 24.752 1.00 0.00 C ATOM 68 C MET A 8 -3.940 4.555 25.860 1.00 0.00 C ATOM 69 O MET A 8 -5.076 4.090 25.965 1.00 0.00 O ATOM 70 CB MET A 8 -3.612 6.969 25.295 1.00 0.00 C ATOM 71 CG MET A 8 -2.480 7.842 24.776 1.00 0.00 C ATOM 72 SD MET A 8 -3.030 9.501 24.334 1.00 0.00 S ATOM 73 CE MET A 8 -3.970 9.946 25.792 1.00 0.00 C ATOM 0 H MET A 8 -5.471 5.581 23.845 1.00 0.00 H new ATOM 0 HA MET A 8 -2.573 5.313 24.402 1.00 0.00 H new ATOM 0 HB2 MET A 8 -4.565 7.428 25.030 1.00 0.00 H new ATOM 0 HB3 MET A 8 -3.565 6.937 26.384 1.00 0.00 H new ATOM 0 HG2 MET A 8 -1.702 7.912 25.536 1.00 0.00 H new ATOM 0 HG3 MET A 8 -2.031 7.368 23.903 1.00 0.00 H new ATOM 0 HE1 MET A 8 -3.968 11.030 25.909 1.00 0.00 H new ATOM 0 HE2 MET A 8 -4.996 9.595 25.685 1.00 0.00 H new ATOM 0 HE3 MET A 8 -3.519 9.485 26.671 1.00 0.00 H new ATOM 83 N PRO A 9 -2.953 4.227 26.706 1.00 0.00 N ATOM 84 CA PRO A 9 -3.143 3.294 27.821 1.00 0.00 C ATOM 85 C PRO A 9 -4.024 3.877 28.921 1.00 0.00 C ATOM 86 O PRO A 9 -4.081 5.093 29.107 1.00 0.00 O ATOM 87 CB PRO A 9 -1.721 3.067 28.340 1.00 0.00 C ATOM 88 CG PRO A 9 -0.972 4.293 27.943 1.00 0.00 C ATOM 89 CD PRO A 9 -1.575 4.742 26.641 1.00 0.00 C ATOM 0 HA PRO A 9 -3.648 2.381 27.506 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.711 2.930 29.421 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.278 2.173 27.902 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.062 5.069 28.703 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.091 4.081 27.828 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.556 5.827 26.543 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.034 4.335 25.787 1.00 0.00 H new ATOM 97 N THR A 10 -4.711 3.001 29.648 1.00 0.00 N ATOM 98 CA THR A 10 -5.590 3.429 30.729 1.00 0.00 C ATOM 99 C THR A 10 -5.830 2.298 31.723 1.00 0.00 C ATOM 100 O THR A 10 -5.778 1.122 31.364 1.00 0.00 O ATOM 101 CB THR A 10 -6.947 3.919 30.189 1.00 0.00 C ATOM 102 OG1 THR A 10 -6.756 4.638 28.966 1.00 0.00 O ATOM 103 CG2 THR A 10 -7.644 4.811 31.205 1.00 0.00 C ATOM 0 H THR A 10 -4.675 1.991 29.508 1.00 0.00 H new ATOM 0 HA THR A 10 -5.089 4.254 31.235 1.00 0.00 H new ATOM 0 HB THR A 10 -7.576 3.048 30.003 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.623 4.945 28.628 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.600 5.145 30.801 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.814 4.251 32.125 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.018 5.677 31.418 1.00 0.00 H new ATOM 111 N ASN A 11 -6.093 2.662 32.974 1.00 0.00 N ATOM 112 CA ASN A 11 -6.342 1.676 34.020 1.00 0.00 C ATOM 113 C ASN A 11 -5.071 0.899 34.348 1.00 0.00 C ATOM 114 O ASN A 11 -4.182 0.757 33.507 1.00 0.00 O ATOM 115 CB ASN A 11 -7.447 0.710 33.588 1.00 0.00 C ATOM 116 CG ASN A 11 -8.437 1.353 32.636 1.00 0.00 C ATOM 117 OD1 ASN A 11 -9.016 2.473 33.053 1.00 0.00 O flip ATOM 118 ND2 ASN A 11 -8.678 0.849 31.539 1.00 0.00 N flip ATOM 0 H ASN A 11 -6.139 3.631 33.288 1.00 0.00 H new ATOM 0 HA ASN A 11 -6.664 2.207 34.916 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -6.998 -0.160 33.108 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.977 0.350 34.470 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.209 -0.013 31.260 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.346 1.293 30.909 1.00 0.00 H new ATOM 125 N CYS A 12 -4.991 0.396 35.575 1.00 0.00 N ATOM 126 CA CYS A 12 -3.830 -0.368 36.015 1.00 0.00 C ATOM 127 C CYS A 12 -4.157 -1.856 36.098 1.00 0.00 C ATOM 128 O CYS A 12 -5.110 -2.257 36.766 1.00 0.00 O ATOM 129 CB CYS A 12 -3.348 0.136 37.377 1.00 0.00 C ATOM 130 SG CYS A 12 -2.126 -0.949 38.181 1.00 0.00 S ATOM 0 H CYS A 12 -5.717 0.504 36.283 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.036 -0.229 35.281 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -2.912 1.127 37.252 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.209 0.248 38.037 1.00 0.00 H new ATOM 135 N ALA A 13 -3.360 -2.671 35.414 1.00 0.00 N ATOM 136 CA ALA A 13 -3.563 -4.114 35.412 1.00 0.00 C ATOM 137 C ALA A 13 -3.567 -4.670 36.832 1.00 0.00 C ATOM 138 O ALA A 13 -4.348 -5.564 37.157 1.00 0.00 O ATOM 139 CB ALA A 13 -2.488 -4.797 34.579 1.00 0.00 C ATOM 0 H ALA A 13 -2.568 -2.356 34.854 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.537 -4.318 34.967 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.652 -5.875 34.586 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.534 -4.430 33.554 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.507 -4.576 35.000 1.00 0.00 H new ATOM 145 N ALA A 14 -2.689 -4.136 37.675 1.00 0.00 N ATOM 146 CA ALA A 14 -2.593 -4.578 39.060 1.00 0.00 C ATOM 147 C ALA A 14 -3.973 -4.669 39.704 1.00 0.00 C ATOM 148 O ALA A 14 -4.826 -3.809 39.490 1.00 0.00 O ATOM 149 CB ALA A 14 -1.700 -3.636 39.854 1.00 0.00 C ATOM 0 H ALA A 14 -2.034 -3.396 37.422 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.150 -5.574 39.068 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.637 -3.978 40.887 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.703 -3.624 39.415 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.120 -2.630 39.830 1.00 0.00 H new ATOM 155 N ALA A 15 -4.184 -5.717 40.494 1.00 0.00 N ATOM 156 CA ALA A 15 -5.459 -5.920 41.169 1.00 0.00 C ATOM 157 C ALA A 15 -5.484 -5.209 42.519 1.00 0.00 C ATOM 158 O ALA A 15 -4.582 -5.378 43.337 1.00 0.00 O ATOM 159 CB ALA A 15 -5.732 -7.406 41.348 1.00 0.00 C ATOM 0 H ALA A 15 -3.488 -6.438 40.682 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.244 -5.491 40.546 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.688 -7.542 41.854 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.766 -7.890 40.372 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.938 -7.852 41.947 1.00 0.00 H new ATOM 165 N GLY A 16 -6.525 -4.412 42.743 1.00 0.00 N ATOM 166 CA GLY A 16 -6.647 -3.688 43.995 1.00 0.00 C ATOM 167 C GLY A 16 -5.904 -2.367 43.974 1.00 0.00 C ATOM 168 O GLY A 16 -5.481 -1.868 45.018 1.00 0.00 O ATOM 0 H GLY A 16 -7.285 -4.255 42.081 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.701 -3.506 44.205 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.263 -4.305 44.807 1.00 0.00 H new ATOM 172 N CYS A 17 -5.743 -1.798 42.784 1.00 0.00 N ATOM 173 CA CYS A 17 -5.044 -0.528 42.631 1.00 0.00 C ATOM 174 C CYS A 17 -5.953 0.519 41.994 1.00 0.00 C ATOM 175 O CYS A 17 -6.352 1.486 42.642 1.00 0.00 O ATOM 176 CB CYS A 17 -3.786 -0.714 41.780 1.00 0.00 C ATOM 177 SG CYS A 17 -2.818 0.811 41.542 1.00 0.00 S ATOM 0 H CYS A 17 -6.088 -2.197 41.911 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.755 -0.178 43.622 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.151 -1.466 42.249 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.075 -1.105 40.804 1.00 0.00 H new ATOM 182 N ALA A 18 -6.275 0.319 40.720 1.00 0.00 N ATOM 183 CA ALA A 18 -7.138 1.244 39.995 1.00 0.00 C ATOM 184 C ALA A 18 -6.520 2.637 39.934 1.00 0.00 C ATOM 185 O ALA A 18 -6.852 3.511 40.735 1.00 0.00 O ATOM 186 CB ALA A 18 -8.512 1.302 40.645 1.00 0.00 C ATOM 0 H ALA A 18 -5.951 -0.476 40.169 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.246 0.878 38.974 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.146 1.996 40.094 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.963 0.310 40.632 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.413 1.642 41.676 1.00 0.00 H new ATOM 192 N THR A 19 -5.619 2.838 38.977 1.00 0.00 N ATOM 193 CA THR A 19 -4.953 4.124 38.812 1.00 0.00 C ATOM 194 C THR A 19 -5.013 4.592 37.363 1.00 0.00 C ATOM 195 O THR A 19 -4.777 3.814 36.437 1.00 0.00 O ATOM 196 CB THR A 19 -3.480 4.055 39.257 1.00 0.00 C ATOM 197 OG1 THR A 19 -3.346 4.564 40.589 1.00 0.00 O ATOM 198 CG2 THR A 19 -2.592 4.851 38.313 1.00 0.00 C ATOM 0 H THR A 19 -5.334 2.126 38.304 1.00 0.00 H new ATOM 0 HA THR A 19 -5.482 4.837 39.444 1.00 0.00 H new ATOM 0 HB THR A 19 -3.165 3.012 39.234 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.407 4.515 40.865 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.557 4.788 38.647 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.674 4.443 37.306 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.909 5.894 38.308 1.00 0.00 H new ATOM 206 N THR A 20 -5.330 5.869 37.171 1.00 0.00 N ATOM 207 CA THR A 20 -5.421 6.441 35.834 1.00 0.00 C ATOM 208 C THR A 20 -4.866 7.860 35.803 1.00 0.00 C ATOM 209 O THR A 20 -4.067 8.243 36.659 1.00 0.00 O ATOM 210 CB THR A 20 -6.877 6.461 35.329 1.00 0.00 C ATOM 211 OG1 THR A 20 -7.569 7.590 35.875 1.00 0.00 O ATOM 212 CG2 THR A 20 -7.601 5.180 35.716 1.00 0.00 C ATOM 0 H THR A 20 -5.528 6.526 37.925 1.00 0.00 H new ATOM 0 HA THR A 20 -4.825 5.806 35.178 1.00 0.00 H new ATOM 0 HB THR A 20 -6.861 6.536 34.242 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.493 7.597 35.548 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.627 5.217 35.349 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.088 4.325 35.275 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.607 5.079 36.801 1.00 0.00 H new ATOM 220 N TYR A 21 -5.292 8.636 34.814 1.00 0.00 N ATOM 221 CA TYR A 21 -4.835 10.014 34.671 1.00 0.00 C ATOM 222 C TYR A 21 -5.217 10.843 35.893 1.00 0.00 C ATOM 223 O TYR A 21 -4.497 11.760 36.284 1.00 0.00 O ATOM 224 CB TYR A 21 -5.429 10.642 33.409 1.00 0.00 C ATOM 225 CG TYR A 21 -4.553 11.711 32.796 1.00 0.00 C ATOM 226 CD1 TYR A 21 -3.453 11.373 32.017 1.00 0.00 C ATOM 227 CD2 TYR A 21 -4.825 13.059 32.996 1.00 0.00 C ATOM 228 CE1 TYR A 21 -2.649 12.347 31.456 1.00 0.00 C ATOM 229 CE2 TYR A 21 -4.028 14.039 32.437 1.00 0.00 C ATOM 230 CZ TYR A 21 -2.941 13.678 31.668 1.00 0.00 C ATOM 231 OH TYR A 21 -2.144 14.651 31.111 1.00 0.00 O ATOM 0 H TYR A 21 -5.954 8.335 34.098 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.748 10.003 34.586 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.603 9.859 32.671 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.400 11.074 33.651 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.223 10.332 31.847 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.674 13.345 33.599 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.797 12.067 30.855 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.255 15.082 32.601 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.488 15.535 31.356 1.00 0.00 H new ATOM 241 N ASN A 22 -6.356 10.512 36.493 1.00 0.00 N ATOM 242 CA ASN A 22 -6.835 11.226 37.671 1.00 0.00 C ATOM 243 C ASN A 22 -6.577 12.724 37.542 1.00 0.00 C ATOM 244 O ASN A 22 -6.093 13.365 38.475 1.00 0.00 O ATOM 245 CB ASN A 22 -6.156 10.686 38.931 1.00 0.00 C ATOM 246 CG ASN A 22 -6.871 11.109 40.200 1.00 0.00 C ATOM 247 OD1 ASN A 22 -8.095 11.237 40.222 1.00 0.00 O ATOM 248 ND2 ASN A 22 -6.107 11.328 41.264 1.00 0.00 N ATOM 0 H ASN A 22 -6.964 9.754 36.183 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.910 11.067 37.749 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.120 9.598 38.883 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.125 11.038 38.964 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.531 11.615 42.146 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.096 11.209 41.199 1.00 0.00 H new ATOM 255 N LYS A 23 -6.904 13.277 36.379 1.00 0.00 N ATOM 256 CA LYS A 23 -6.711 14.700 36.127 1.00 0.00 C ATOM 257 C LYS A 23 -5.229 15.062 36.161 1.00 0.00 C ATOM 258 O LYS A 23 -4.552 15.046 35.132 1.00 0.00 O ATOM 259 CB LYS A 23 -7.473 15.531 37.161 1.00 0.00 C ATOM 260 CG LYS A 23 -8.838 15.995 36.682 1.00 0.00 C ATOM 261 CD LYS A 23 -8.765 17.369 36.035 1.00 0.00 C ATOM 262 CE LYS A 23 -9.326 18.446 36.951 1.00 0.00 C ATOM 263 NZ LYS A 23 -8.581 19.729 36.819 1.00 0.00 N ATOM 0 H LYS A 23 -7.304 12.761 35.596 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.100 14.923 35.133 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.597 14.941 38.069 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.875 16.403 37.427 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.237 15.276 35.967 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.529 16.025 37.524 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.729 17.602 35.789 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.321 17.361 35.098 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.378 18.611 36.716 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.280 18.104 37.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.993 20.437 37.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.582 19.578 37.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.646 20.069 35.838 1.00 0.00 H new ATOM 277 N HIS A 24 -4.731 15.386 37.350 1.00 0.00 N ATOM 278 CA HIS A 24 -3.328 15.750 37.518 1.00 0.00 C ATOM 279 C HIS A 24 -2.559 14.636 38.222 1.00 0.00 C ATOM 280 O HIS A 24 -2.665 14.468 39.437 1.00 0.00 O ATOM 281 CB HIS A 24 -3.208 17.050 38.313 1.00 0.00 C ATOM 282 CG HIS A 24 -2.820 18.230 37.477 1.00 0.00 C ATOM 283 ND1 HIS A 24 -2.498 19.459 38.012 1.00 0.00 N ATOM 284 CD2 HIS A 24 -2.701 18.363 36.135 1.00 0.00 C ATOM 285 CE1 HIS A 24 -2.200 20.298 37.036 1.00 0.00 C ATOM 286 NE2 HIS A 24 -2.315 19.658 35.887 1.00 0.00 N ATOM 0 H HIS A 24 -5.277 15.404 38.211 1.00 0.00 H new ATOM 0 HA HIS A 24 -2.895 15.897 36.529 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -4.161 17.258 38.800 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -2.469 16.916 39.103 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -2.877 17.594 35.397 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.911 21.332 37.157 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -2.145 20.060 34.965 1.00 0.00 H new ATOM 294 N ILE A 25 -1.786 13.878 37.451 1.00 0.00 N ATOM 295 CA ILE A 25 -1.000 12.782 38.002 1.00 0.00 C ATOM 296 C ILE A 25 0.448 12.851 37.527 1.00 0.00 C ATOM 297 O ILE A 25 0.743 13.435 36.485 1.00 0.00 O ATOM 298 CB ILE A 25 -1.591 11.414 37.612 1.00 0.00 C ATOM 299 CG1 ILE A 25 -2.601 10.952 38.665 1.00 0.00 C ATOM 300 CG2 ILE A 25 -0.482 10.386 37.446 1.00 0.00 C ATOM 301 CD1 ILE A 25 -1.958 10.360 39.899 1.00 0.00 C ATOM 0 H ILE A 25 -1.688 14.003 36.443 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.030 12.886 39.087 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.110 11.517 36.659 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.221 11.799 38.959 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.265 10.211 38.220 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.915 9.425 37.170 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.203 10.713 36.664 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.062 10.283 38.385 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.733 10.054 40.602 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.361 9.493 39.618 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.316 11.106 40.368 1.00 0.00 H new ATOM 313 N ASN A 26 1.347 12.249 38.298 1.00 0.00 N ATOM 314 CA ASN A 26 2.765 12.241 37.956 1.00 0.00 C ATOM 315 C ASN A 26 3.241 10.826 37.645 1.00 0.00 C ATOM 316 O ASN A 26 4.119 10.626 36.804 1.00 0.00 O ATOM 317 CB ASN A 26 3.591 12.829 39.102 1.00 0.00 C ATOM 318 CG ASN A 26 2.891 12.704 40.442 1.00 0.00 C ATOM 319 OD1 ASN A 26 2.928 11.651 41.079 1.00 0.00 O ATOM 320 ND2 ASN A 26 2.248 13.782 40.876 1.00 0.00 N ATOM 0 H ASN A 26 1.119 11.760 39.164 1.00 0.00 H new ATOM 0 HA ASN A 26 2.902 12.855 37.066 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.554 12.321 39.150 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.794 13.880 38.898 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.758 13.758 41.771 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.244 14.634 40.315 1.00 0.00 H new ATOM 327 N ILE A 27 2.657 9.847 38.327 1.00 0.00 N ATOM 328 CA ILE A 27 3.020 8.450 38.122 1.00 0.00 C ATOM 329 C ILE A 27 3.318 8.170 36.653 1.00 0.00 C ATOM 330 O ILE A 27 2.667 8.716 35.762 1.00 0.00 O ATOM 331 CB ILE A 27 1.904 7.502 38.598 1.00 0.00 C ATOM 332 CG1 ILE A 27 2.021 7.257 40.104 1.00 0.00 C ATOM 333 CG2 ILE A 27 1.965 6.187 37.835 1.00 0.00 C ATOM 334 CD1 ILE A 27 0.840 6.515 40.689 1.00 0.00 C ATOM 0 H ILE A 27 1.930 9.995 39.027 1.00 0.00 H new ATOM 0 HA ILE A 27 3.917 8.267 38.714 1.00 0.00 H new ATOM 0 HB ILE A 27 0.940 7.970 38.399 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.930 6.690 40.302 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.126 8.215 40.613 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.170 5.527 38.183 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.838 6.378 36.769 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.931 5.712 38.006 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.991 6.377 41.760 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.070 7.091 40.523 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.747 5.542 40.207 1.00 0.00 H new ATOM 346 N SER A 28 4.304 7.313 36.407 1.00 0.00 N ATOM 347 CA SER A 28 4.689 6.960 35.046 1.00 0.00 C ATOM 348 C SER A 28 4.079 5.623 34.638 1.00 0.00 C ATOM 349 O SER A 28 3.730 4.802 35.486 1.00 0.00 O ATOM 350 CB SER A 28 6.213 6.897 34.925 1.00 0.00 C ATOM 351 OG SER A 28 6.834 7.794 35.830 1.00 0.00 O ATOM 0 H SER A 28 4.851 6.850 37.133 1.00 0.00 H new ATOM 0 HA SER A 28 4.310 7.731 34.376 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.555 5.881 35.123 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.510 7.141 33.905 1.00 0.00 H new ATOM 0 HG SER A 28 7.807 7.734 35.734 1.00 0.00 H new ATOM 357 N PHE A 29 3.954 5.411 33.332 1.00 0.00 N ATOM 358 CA PHE A 29 3.386 4.174 32.809 1.00 0.00 C ATOM 359 C PHE A 29 4.481 3.251 32.284 1.00 0.00 C ATOM 360 O PHE A 29 5.117 3.538 31.269 1.00 0.00 O ATOM 361 CB PHE A 29 2.383 4.480 31.694 1.00 0.00 C ATOM 362 CG PHE A 29 1.633 5.765 31.899 1.00 0.00 C ATOM 363 CD1 PHE A 29 2.157 6.967 31.452 1.00 0.00 C ATOM 364 CD2 PHE A 29 0.403 5.770 32.538 1.00 0.00 C ATOM 365 CE1 PHE A 29 1.468 8.151 31.638 1.00 0.00 C ATOM 366 CE2 PHE A 29 -0.290 6.951 32.727 1.00 0.00 C ATOM 367 CZ PHE A 29 0.244 8.143 32.277 1.00 0.00 C ATOM 0 H PHE A 29 4.238 6.080 32.616 1.00 0.00 H new ATOM 0 HA PHE A 29 2.870 3.668 33.625 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.912 4.525 30.742 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.669 3.659 31.623 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.115 6.979 30.953 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.019 4.841 32.892 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.887 9.081 31.284 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.248 6.942 33.226 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.295 9.067 32.425 1.00 0.00 H new ATOM 377 N HIS A 30 4.697 2.141 32.983 1.00 0.00 N ATOM 378 CA HIS A 30 5.716 1.175 32.588 1.00 0.00 C ATOM 379 C HIS A 30 5.082 -0.163 32.219 1.00 0.00 C ATOM 380 O HIS A 30 4.784 -0.981 33.090 1.00 0.00 O ATOM 381 CB HIS A 30 6.728 0.979 33.717 1.00 0.00 C ATOM 382 CG HIS A 30 7.432 2.239 34.116 1.00 0.00 C ATOM 383 ND1 HIS A 30 8.557 2.709 33.471 1.00 0.00 N ATOM 384 CD2 HIS A 30 7.164 3.130 35.099 1.00 0.00 C ATOM 385 CE1 HIS A 30 8.951 3.833 34.042 1.00 0.00 C ATOM 386 NE2 HIS A 30 8.123 4.111 35.032 1.00 0.00 N ATOM 0 H HIS A 30 4.180 1.888 33.825 1.00 0.00 H new ATOM 0 HA HIS A 30 6.232 1.566 31.712 1.00 0.00 H new ATOM 0 HB2 HIS A 30 6.215 0.568 34.587 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.468 0.242 33.406 1.00 0.00 H new ATOM 0 HD1 HIS A 30 9.013 2.259 32.677 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.348 3.079 35.805 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.806 4.424 33.749 1.00 0.00 H new ATOM 394 N ARG A 31 4.878 -0.379 30.924 1.00 0.00 N ATOM 395 CA ARG A 31 4.278 -1.616 30.440 1.00 0.00 C ATOM 396 C ARG A 31 5.101 -2.825 30.874 1.00 0.00 C ATOM 397 O ARG A 31 6.111 -2.687 31.565 1.00 0.00 O ATOM 398 CB ARG A 31 4.158 -1.588 28.916 1.00 0.00 C ATOM 399 CG ARG A 31 5.468 -1.863 28.196 1.00 0.00 C ATOM 400 CD ARG A 31 5.915 -0.664 27.374 1.00 0.00 C ATOM 401 NE ARG A 31 4.909 -0.268 26.392 1.00 0.00 N ATOM 402 CZ ARG A 31 5.122 0.642 25.448 1.00 0.00 C ATOM 403 NH1 ARG A 31 6.299 1.246 25.359 1.00 0.00 N ATOM 404 NH2 ARG A 31 4.157 0.948 24.591 1.00 0.00 N ATOM 0 H ARG A 31 5.120 0.287 30.191 1.00 0.00 H new ATOM 0 HA ARG A 31 3.282 -1.701 30.874 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.420 -2.327 28.605 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.782 -0.613 28.608 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.239 -2.114 28.925 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.351 -2.729 27.544 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.122 0.174 28.039 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.847 -0.903 26.862 1.00 0.00 H new ATOM 0 HE ARG A 31 3.993 -0.715 26.433 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.043 1.012 26.016 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.460 1.944 24.633 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.251 0.485 24.657 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.321 1.647 23.866 1.00 0.00 H new ATOM 418 N PHE A 32 4.663 -4.011 30.465 1.00 0.00 N ATOM 419 CA PHE A 32 5.358 -5.245 30.812 1.00 0.00 C ATOM 420 C PHE A 32 6.670 -5.365 30.043 1.00 0.00 C ATOM 421 O PHE A 32 6.850 -4.776 28.977 1.00 0.00 O ATOM 422 CB PHE A 32 4.469 -6.456 30.520 1.00 0.00 C ATOM 423 CG PHE A 32 3.365 -6.644 31.520 1.00 0.00 C ATOM 424 CD1 PHE A 32 2.379 -5.683 31.674 1.00 0.00 C ATOM 425 CD2 PHE A 32 3.312 -7.784 32.307 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.362 -5.854 32.594 1.00 0.00 C ATOM 427 CE2 PHE A 32 2.297 -7.961 33.228 1.00 0.00 C ATOM 428 CZ PHE A 32 1.320 -6.994 33.371 1.00 0.00 C ATOM 0 H PHE A 32 3.829 -4.144 29.892 1.00 0.00 H new ATOM 0 HA PHE A 32 5.584 -5.218 31.878 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.034 -6.346 29.527 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.087 -7.354 30.500 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.405 -4.790 31.068 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.073 -8.543 32.199 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.601 -5.096 32.705 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.267 -8.854 33.835 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.525 -7.130 34.089 1.00 0.00 H new ATOM 438 N PRO A 33 7.609 -6.147 30.595 1.00 0.00 N ATOM 439 CA PRO A 33 8.922 -6.364 29.979 1.00 0.00 C ATOM 440 C PRO A 33 8.834 -7.201 28.707 1.00 0.00 C ATOM 441 O PRO A 33 7.979 -8.080 28.588 1.00 0.00 O ATOM 442 CB PRO A 33 9.702 -7.115 31.061 1.00 0.00 C ATOM 443 CG PRO A 33 8.658 -7.793 31.879 1.00 0.00 C ATOM 444 CD PRO A 33 7.463 -6.880 31.864 1.00 0.00 C ATOM 0 HA PRO A 33 9.388 -5.428 29.671 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.392 -7.836 30.623 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.297 -6.431 31.666 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.409 -8.769 31.463 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.008 -7.961 32.897 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.529 -7.440 31.899 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.462 -6.205 32.720 1.00 0.00 H new ATOM 452 N LEU A 34 9.722 -6.923 27.759 1.00 0.00 N ATOM 453 CA LEU A 34 9.745 -7.651 26.495 1.00 0.00 C ATOM 454 C LEU A 34 10.472 -8.983 26.647 1.00 0.00 C ATOM 455 O LEU A 34 10.444 -9.823 25.748 1.00 0.00 O ATOM 456 CB LEU A 34 10.420 -6.809 25.411 1.00 0.00 C ATOM 457 CG LEU A 34 9.680 -5.539 24.990 1.00 0.00 C ATOM 458 CD1 LEU A 34 8.244 -5.567 25.490 1.00 0.00 C ATOM 459 CD2 LEU A 34 10.403 -4.304 25.506 1.00 0.00 C ATOM 0 H LEU A 34 10.436 -6.199 27.841 1.00 0.00 H new ATOM 0 HA LEU A 34 8.715 -7.852 26.201 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.412 -6.527 25.763 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.560 -7.433 24.529 1.00 0.00 H new ATOM 0 HG LEU A 34 9.663 -5.496 23.901 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.733 -4.655 25.181 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.729 -6.431 25.070 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.239 -5.635 26.578 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.862 -3.410 25.197 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.453 -4.340 26.594 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.413 -4.276 25.097 1.00 0.00 H new ATOM 471 N ASP A 35 11.121 -9.169 27.791 1.00 0.00 N ATOM 472 CA ASP A 35 11.853 -10.401 28.063 1.00 0.00 C ATOM 473 C ASP A 35 10.927 -11.468 28.639 1.00 0.00 C ATOM 474 O ASP A 35 9.999 -11.178 29.394 1.00 0.00 O ATOM 475 CB ASP A 35 13.005 -10.131 29.032 1.00 0.00 C ATOM 476 CG ASP A 35 14.296 -10.798 28.598 1.00 0.00 C ATOM 477 OD1 ASP A 35 14.577 -10.809 27.382 1.00 0.00 O ATOM 478 OD2 ASP A 35 15.024 -11.310 29.474 1.00 0.00 O ATOM 0 H ASP A 35 11.155 -8.483 28.545 1.00 0.00 H new ATOM 0 HA ASP A 35 12.259 -10.769 27.121 1.00 0.00 H new ATOM 0 HB2 ASP A 35 13.164 -9.056 29.112 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.731 -10.487 30.025 1.00 0.00 H new ATOM 483 N PRO A 36 11.183 -12.733 28.273 1.00 0.00 N ATOM 484 CA PRO A 36 10.383 -13.869 28.741 1.00 0.00 C ATOM 485 C PRO A 36 10.590 -14.152 30.225 1.00 0.00 C ATOM 486 O PRO A 36 9.671 -14.587 30.919 1.00 0.00 O ATOM 487 CB PRO A 36 10.898 -15.037 27.897 1.00 0.00 C ATOM 488 CG PRO A 36 12.286 -14.649 27.520 1.00 0.00 C ATOM 489 CD PRO A 36 12.273 -13.152 27.376 1.00 0.00 C ATOM 0 HA PRO A 36 9.314 -13.686 28.633 1.00 0.00 H new ATOM 0 HB2 PRO A 36 10.887 -15.969 28.462 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.277 -15.192 27.015 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.999 -14.961 28.283 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.586 -15.128 26.588 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.226 -12.712 27.669 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.085 -12.849 26.346 1.00 0.00 H new ATOM 497 N LYS A 37 11.803 -13.901 30.707 1.00 0.00 N ATOM 498 CA LYS A 37 12.132 -14.127 32.109 1.00 0.00 C ATOM 499 C LYS A 37 11.319 -13.206 33.014 1.00 0.00 C ATOM 500 O LYS A 37 10.843 -13.620 34.070 1.00 0.00 O ATOM 501 CB LYS A 37 13.627 -13.903 32.347 1.00 0.00 C ATOM 502 CG LYS A 37 14.511 -14.943 31.681 1.00 0.00 C ATOM 503 CD LYS A 37 15.615 -14.296 30.862 1.00 0.00 C ATOM 504 CE LYS A 37 16.728 -13.762 31.750 1.00 0.00 C ATOM 505 NZ LYS A 37 17.002 -12.321 31.491 1.00 0.00 N ATOM 0 H LYS A 37 12.575 -13.541 30.146 1.00 0.00 H new ATOM 0 HA LYS A 37 11.883 -15.160 32.352 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.901 -12.915 31.978 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.820 -13.907 33.420 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.951 -15.588 32.441 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.904 -15.579 31.037 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.024 -15.024 30.162 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.199 -13.482 30.268 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.454 -13.897 32.796 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.636 -14.340 31.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.994 -12.203 31.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.377 -11.979 30.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.827 -11.773 32.358 1.00 0.00 H new ATOM 519 N ARG A 38 11.163 -11.955 32.591 1.00 0.00 N ATOM 520 CA ARG A 38 10.408 -10.976 33.363 1.00 0.00 C ATOM 521 C ARG A 38 8.924 -11.035 33.012 1.00 0.00 C ATOM 522 O ARG A 38 8.070 -11.124 33.895 1.00 0.00 O ATOM 523 CB ARG A 38 10.948 -9.568 33.108 1.00 0.00 C ATOM 524 CG ARG A 38 12.459 -9.463 33.232 1.00 0.00 C ATOM 525 CD ARG A 38 12.916 -9.677 34.667 1.00 0.00 C ATOM 526 NE ARG A 38 13.729 -10.882 34.809 1.00 0.00 N ATOM 527 CZ ARG A 38 15.016 -10.943 34.485 1.00 0.00 C ATOM 528 NH1 ARG A 38 15.633 -9.873 34.004 1.00 0.00 N ATOM 529 NH2 ARG A 38 15.688 -12.076 34.642 1.00 0.00 N ATOM 0 H ARG A 38 11.550 -11.596 31.718 1.00 0.00 H new ATOM 0 HA ARG A 38 10.524 -11.216 34.420 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.651 -9.250 32.109 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.485 -8.877 33.813 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.931 -10.202 32.585 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.786 -8.482 32.887 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.490 -8.811 34.997 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.045 -9.749 35.318 1.00 0.00 H new ATOM 0 HE ARG A 38 13.284 -11.723 35.177 1.00 0.00 H new ATOM 0 HH11 ARG A 38 15.120 -9.000 33.882 1.00 0.00 H new ATOM 0 HH12 ARG A 38 16.621 -9.923 33.756 1.00 0.00 H new ATOM 0 HH21 ARG A 38 15.217 -12.901 35.012 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.676 -12.122 34.393 1.00 0.00 H new ATOM 543 N ARG A 39 8.625 -10.984 31.718 1.00 0.00 N ATOM 544 CA ARG A 39 7.245 -11.030 31.251 1.00 0.00 C ATOM 545 C ARG A 39 6.408 -11.967 32.117 1.00 0.00 C ATOM 546 O ARG A 39 5.357 -11.584 32.629 1.00 0.00 O ATOM 547 CB ARG A 39 7.193 -11.484 29.791 1.00 0.00 C ATOM 548 CG ARG A 39 5.781 -11.602 29.239 1.00 0.00 C ATOM 549 CD ARG A 39 5.540 -12.967 28.613 1.00 0.00 C ATOM 550 NE ARG A 39 5.967 -13.011 27.217 1.00 0.00 N ATOM 551 CZ ARG A 39 5.371 -12.330 26.244 1.00 0.00 C ATOM 552 NH1 ARG A 39 4.328 -11.556 26.515 1.00 0.00 N ATOM 553 NH2 ARG A 39 5.817 -12.422 24.998 1.00 0.00 N ATOM 0 H ARG A 39 9.320 -10.911 30.975 1.00 0.00 H new ATOM 0 HA ARG A 39 6.829 -10.025 31.327 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.755 -10.778 29.180 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.691 -12.450 29.702 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.061 -11.436 30.040 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.614 -10.824 28.494 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.078 -13.726 29.181 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.480 -13.213 28.676 1.00 0.00 H new ATOM 0 HE ARG A 39 6.767 -13.597 26.976 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.982 -11.483 27.472 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.872 -11.034 25.767 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.618 -13.016 24.786 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.358 -11.899 24.252 1.00 0.00 H new ATOM 567 N LYS A 40 6.882 -13.198 32.275 1.00 0.00 N ATOM 568 CA LYS A 40 6.180 -14.192 33.079 1.00 0.00 C ATOM 569 C LYS A 40 6.132 -13.771 34.544 1.00 0.00 C ATOM 570 O LYS A 40 5.133 -13.989 35.229 1.00 0.00 O ATOM 571 CB LYS A 40 6.862 -15.556 32.951 1.00 0.00 C ATOM 572 CG LYS A 40 7.091 -15.989 31.514 1.00 0.00 C ATOM 573 CD LYS A 40 8.026 -17.184 31.434 1.00 0.00 C ATOM 574 CE LYS A 40 7.577 -18.173 30.369 1.00 0.00 C ATOM 575 NZ LYS A 40 8.050 -19.555 30.661 1.00 0.00 N ATOM 0 H LYS A 40 7.750 -13.532 31.857 1.00 0.00 H new ATOM 0 HA LYS A 40 5.158 -14.268 32.707 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.821 -15.524 33.469 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.253 -16.306 33.455 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.136 -16.241 31.053 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.510 -15.159 30.945 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.037 -16.842 31.211 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.064 -17.683 32.402 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.489 -18.168 30.304 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.956 -17.857 29.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.724 -20.199 29.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.089 -19.566 30.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.668 -19.867 31.577 1.00 0.00 H new ATOM 589 N GLU A 41 7.217 -13.165 35.017 1.00 0.00 N ATOM 590 CA GLU A 41 7.296 -12.713 36.401 1.00 0.00 C ATOM 591 C GLU A 41 6.254 -11.634 36.682 1.00 0.00 C ATOM 592 O GLU A 41 5.431 -11.771 37.587 1.00 0.00 O ATOM 593 CB GLU A 41 8.696 -12.177 36.707 1.00 0.00 C ATOM 594 CG GLU A 41 9.609 -13.199 37.363 1.00 0.00 C ATOM 595 CD GLU A 41 9.041 -13.740 38.661 1.00 0.00 C ATOM 596 OE1 GLU A 41 8.212 -13.043 39.282 1.00 0.00 O ATOM 597 OE2 GLU A 41 9.428 -14.860 39.056 1.00 0.00 O ATOM 0 H GLU A 41 8.052 -12.976 34.463 1.00 0.00 H new ATOM 0 HA GLU A 41 7.092 -13.567 37.047 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.155 -11.834 35.780 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.609 -11.308 37.360 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.779 -14.025 36.673 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.579 -12.742 37.558 1.00 0.00 H new ATOM 604 N TRP A 42 6.298 -10.561 35.900 1.00 0.00 N ATOM 605 CA TRP A 42 5.359 -9.457 36.064 1.00 0.00 C ATOM 606 C TRP A 42 3.933 -9.974 36.222 1.00 0.00 C ATOM 607 O TRP A 42 3.204 -9.550 37.119 1.00 0.00 O ATOM 608 CB TRP A 42 5.441 -8.508 34.867 1.00 0.00 C ATOM 609 CG TRP A 42 6.595 -7.555 34.943 1.00 0.00 C ATOM 610 CD1 TRP A 42 7.918 -7.877 35.046 1.00 0.00 C ATOM 611 CD2 TRP A 42 6.528 -6.125 34.923 1.00 0.00 C ATOM 612 NE1 TRP A 42 8.678 -6.733 35.092 1.00 0.00 N ATOM 613 CE2 TRP A 42 7.849 -5.645 35.017 1.00 0.00 C ATOM 614 CE3 TRP A 42 5.481 -5.204 34.833 1.00 0.00 C ATOM 615 CZ2 TRP A 42 8.147 -4.285 35.024 1.00 0.00 C ATOM 616 CZ3 TRP A 42 5.779 -3.854 34.840 1.00 0.00 C ATOM 617 CH2 TRP A 42 7.103 -3.405 34.934 1.00 0.00 C ATOM 0 H TRP A 42 6.973 -10.432 35.147 1.00 0.00 H new ATOM 0 HA TRP A 42 5.631 -8.913 36.969 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.523 -9.095 33.952 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.513 -7.940 34.799 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.309 -8.883 35.086 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.695 -6.699 35.169 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.457 -5.541 34.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.167 -3.937 35.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.978 -3.133 34.772 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.303 -2.344 34.935 1.00 0.00 H new ATOM 628 N VAL A 43 3.541 -10.894 35.346 1.00 0.00 N ATOM 629 CA VAL A 43 2.203 -11.470 35.389 1.00 0.00 C ATOM 630 C VAL A 43 2.040 -12.392 36.592 1.00 0.00 C ATOM 631 O VAL A 43 0.924 -12.646 37.047 1.00 0.00 O ATOM 632 CB VAL A 43 1.890 -12.260 34.105 1.00 0.00 C ATOM 633 CG1 VAL A 43 0.457 -12.772 34.128 1.00 0.00 C ATOM 634 CG2 VAL A 43 2.137 -11.399 32.876 1.00 0.00 C ATOM 0 H VAL A 43 4.132 -11.256 34.598 1.00 0.00 H new ATOM 0 HA VAL A 43 1.504 -10.638 35.474 1.00 0.00 H new ATOM 0 HB VAL A 43 2.557 -13.121 34.058 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.254 -13.328 33.212 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.318 -13.427 34.988 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.230 -11.929 34.200 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.911 -11.974 31.978 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.496 -10.518 32.914 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.181 -11.088 32.854 1.00 0.00 H new ATOM 644 N ARG A 44 3.160 -12.890 37.105 1.00 0.00 N ATOM 645 CA ARG A 44 3.142 -13.785 38.256 1.00 0.00 C ATOM 646 C ARG A 44 3.180 -12.994 39.560 1.00 0.00 C ATOM 647 O ARG A 44 2.774 -13.490 40.612 1.00 0.00 O ATOM 648 CB ARG A 44 4.328 -14.750 38.197 1.00 0.00 C ATOM 649 CG ARG A 44 4.944 -15.041 39.556 1.00 0.00 C ATOM 650 CD ARG A 44 3.982 -15.804 40.452 1.00 0.00 C ATOM 651 NE ARG A 44 4.386 -17.196 40.630 1.00 0.00 N ATOM 652 CZ ARG A 44 3.852 -18.006 41.537 1.00 0.00 C ATOM 653 NH1 ARG A 44 2.898 -17.566 42.345 1.00 0.00 N ATOM 654 NH2 ARG A 44 4.274 -19.261 41.638 1.00 0.00 N ATOM 0 H ARG A 44 4.092 -12.689 36.742 1.00 0.00 H new ATOM 0 HA ARG A 44 2.215 -14.357 38.225 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.001 -15.688 37.747 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.093 -14.333 37.542 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.858 -15.620 39.426 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.226 -14.104 40.037 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.928 -15.315 41.425 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.981 -15.769 40.022 1.00 0.00 H new ATOM 0 HE ARG A 44 5.118 -17.567 40.025 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.572 -16.602 42.271 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.490 -18.191 43.040 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.009 -19.603 41.019 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.863 -19.883 42.335 1.00 0.00 H new ATOM 668 N LEU A 45 3.672 -11.762 39.485 1.00 0.00 N ATOM 669 CA LEU A 45 3.764 -10.902 40.659 1.00 0.00 C ATOM 670 C LEU A 45 2.473 -10.116 40.861 1.00 0.00 C ATOM 671 O LEU A 45 2.231 -9.564 41.935 1.00 0.00 O ATOM 672 CB LEU A 45 4.944 -9.938 40.519 1.00 0.00 C ATOM 673 CG LEU A 45 6.336 -10.562 40.623 1.00 0.00 C ATOM 674 CD1 LEU A 45 7.304 -9.869 39.677 1.00 0.00 C ATOM 675 CD2 LEU A 45 6.846 -10.493 42.055 1.00 0.00 C ATOM 0 H LEU A 45 4.013 -11.337 38.623 1.00 0.00 H new ATOM 0 HA LEU A 45 3.922 -11.536 41.531 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.864 -9.435 39.555 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.853 -9.170 41.288 1.00 0.00 H new ATOM 0 HG LEU A 45 6.265 -11.611 40.334 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.289 -10.327 39.765 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.947 -9.971 38.652 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.371 -8.812 39.935 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.838 -10.942 42.110 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.901 -9.452 42.372 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.165 -11.036 42.710 1.00 0.00 H new ATOM 687 N VAL A 46 1.644 -10.072 39.823 1.00 0.00 N ATOM 688 CA VAL A 46 0.375 -9.357 39.887 1.00 0.00 C ATOM 689 C VAL A 46 -0.776 -10.308 40.195 1.00 0.00 C ATOM 690 O VAL A 46 -1.885 -9.875 40.511 1.00 0.00 O ATOM 691 CB VAL A 46 0.078 -8.620 38.568 1.00 0.00 C ATOM 692 CG1 VAL A 46 0.077 -9.595 37.400 1.00 0.00 C ATOM 693 CG2 VAL A 46 -1.248 -7.881 38.657 1.00 0.00 C ATOM 0 H VAL A 46 1.829 -10.523 38.927 1.00 0.00 H new ATOM 0 HA VAL A 46 0.464 -8.626 40.690 1.00 0.00 H new ATOM 0 HB VAL A 46 0.866 -7.886 38.397 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.135 -9.056 36.476 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.053 -10.074 37.325 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.688 -10.354 37.561 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.441 -7.366 37.716 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.049 -8.594 38.852 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.205 -7.153 39.467 1.00 0.00 H new ATOM 703 N ARG A 47 -0.506 -11.606 40.102 1.00 0.00 N ATOM 704 CA ARG A 47 -1.520 -12.619 40.371 1.00 0.00 C ATOM 705 C ARG A 47 -2.866 -12.210 39.780 1.00 0.00 C ATOM 706 O ARG A 47 -3.743 -11.718 40.491 1.00 0.00 O ATOM 707 CB ARG A 47 -1.659 -12.845 41.877 1.00 0.00 C ATOM 708 CG ARG A 47 -1.850 -14.304 42.259 1.00 0.00 C ATOM 709 CD ARG A 47 -3.309 -14.617 42.548 1.00 0.00 C ATOM 710 NE ARG A 47 -3.567 -16.055 42.566 1.00 0.00 N ATOM 711 CZ ARG A 47 -4.648 -16.601 43.113 1.00 0.00 C ATOM 712 NH1 ARG A 47 -5.566 -15.833 43.683 1.00 0.00 N ATOM 713 NH2 ARG A 47 -4.811 -17.917 43.089 1.00 0.00 N ATOM 0 H ARG A 47 0.406 -11.981 39.842 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.203 -13.549 39.899 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.770 -12.461 42.377 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.507 -12.268 42.246 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.493 -14.943 41.451 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.247 -14.533 43.137 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.589 -14.186 43.510 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.938 -14.145 41.793 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.880 -16.674 42.135 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.443 -14.821 43.702 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.395 -16.255 44.102 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.107 -18.510 42.651 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.641 -18.336 43.509 1.00 0.00 H new ATOM 727 N ARG A 48 -3.022 -12.416 38.477 1.00 0.00 N ATOM 728 CA ARG A 48 -4.260 -12.068 37.791 1.00 0.00 C ATOM 729 C ARG A 48 -4.860 -13.288 37.099 1.00 0.00 C ATOM 730 O ARG A 48 -4.186 -13.973 36.329 1.00 0.00 O ATOM 731 CB ARG A 48 -4.007 -10.960 36.766 1.00 0.00 C ATOM 732 CG ARG A 48 -3.884 -9.577 37.383 1.00 0.00 C ATOM 733 CD ARG A 48 -5.125 -8.738 37.120 1.00 0.00 C ATOM 734 NE ARG A 48 -5.061 -8.056 35.830 1.00 0.00 N ATOM 735 CZ ARG A 48 -6.129 -7.587 35.193 1.00 0.00 C ATOM 736 NH1 ARG A 48 -7.335 -7.725 35.725 1.00 0.00 N ATOM 737 NH2 ARG A 48 -5.990 -6.978 34.023 1.00 0.00 N ATOM 0 H ARG A 48 -2.306 -12.822 37.875 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.970 -11.709 38.536 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.093 -11.186 36.217 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.821 -10.954 36.041 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.727 -9.669 38.458 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.009 -9.072 36.975 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.008 -9.377 37.149 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.239 -8.001 37.915 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.147 -7.933 35.394 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.445 -8.192 36.625 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.153 -7.364 35.234 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.063 -6.869 33.612 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.810 -6.618 33.535 1.00 0.00 H new ATOM 751 N LYS A 49 -6.132 -13.555 37.378 1.00 0.00 N ATOM 752 CA LYS A 49 -6.824 -14.692 36.783 1.00 0.00 C ATOM 753 C LYS A 49 -6.916 -14.540 35.268 1.00 0.00 C ATOM 754 O LYS A 49 -7.418 -13.537 34.764 1.00 0.00 O ATOM 755 CB LYS A 49 -8.227 -14.829 37.378 1.00 0.00 C ATOM 756 CG LYS A 49 -8.246 -15.492 38.745 1.00 0.00 C ATOM 757 CD LYS A 49 -9.663 -15.646 39.270 1.00 0.00 C ATOM 758 CE LYS A 49 -10.136 -17.089 39.184 1.00 0.00 C ATOM 759 NZ LYS A 49 -11.511 -17.189 38.622 1.00 0.00 N ATOM 0 H LYS A 49 -6.704 -12.999 38.013 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.251 -15.592 37.007 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.677 -13.839 37.457 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.848 -15.408 36.694 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.772 -16.471 38.682 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.660 -14.899 39.446 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.707 -15.309 40.306 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.336 -15.007 38.698 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.447 -17.661 38.562 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.116 -17.538 40.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.797 -18.188 38.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.173 -16.665 39.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.525 -16.784 37.664 1.00 0.00 H new ATOM 773 N ASN A 50 -6.428 -15.545 34.547 1.00 0.00 N ATOM 774 CA ASN A 50 -6.457 -15.523 33.089 1.00 0.00 C ATOM 775 C ASN A 50 -6.159 -14.123 32.560 1.00 0.00 C ATOM 776 O ASN A 50 -6.959 -13.542 31.826 1.00 0.00 O ATOM 777 CB ASN A 50 -7.819 -15.995 32.577 1.00 0.00 C ATOM 778 CG ASN A 50 -8.098 -17.444 32.927 1.00 0.00 C ATOM 779 OD1 ASN A 50 -7.747 -17.911 34.010 1.00 0.00 O ATOM 780 ND2 ASN A 50 -8.731 -18.163 32.007 1.00 0.00 N ATOM 0 H ASN A 50 -6.008 -16.384 34.948 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.685 -16.202 32.725 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.601 -15.365 33.000 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.860 -15.871 31.495 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.945 -19.144 32.185 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.003 -17.734 31.123 1.00 0.00 H new ATOM 787 N PHE A 51 -5.003 -13.588 32.936 1.00 0.00 N ATOM 788 CA PHE A 51 -4.599 -12.256 32.500 1.00 0.00 C ATOM 789 C PHE A 51 -3.339 -12.323 31.642 1.00 0.00 C ATOM 790 O PHE A 51 -2.610 -13.315 31.666 1.00 0.00 O ATOM 791 CB PHE A 51 -4.357 -11.352 33.711 1.00 0.00 C ATOM 792 CG PHE A 51 -3.488 -10.165 33.408 1.00 0.00 C ATOM 793 CD1 PHE A 51 -3.997 -9.073 32.723 1.00 0.00 C ATOM 794 CD2 PHE A 51 -2.162 -10.140 33.809 1.00 0.00 C ATOM 795 CE1 PHE A 51 -3.199 -7.980 32.442 1.00 0.00 C ATOM 796 CE2 PHE A 51 -1.359 -9.050 33.532 1.00 0.00 C ATOM 797 CZ PHE A 51 -1.879 -7.968 32.848 1.00 0.00 C ATOM 0 H PHE A 51 -4.329 -14.056 33.542 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.406 -11.838 31.898 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.317 -11.002 34.091 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.894 -11.938 34.505 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.029 -9.076 32.405 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.751 -10.983 34.345 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.607 -7.136 31.906 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.327 -9.044 33.850 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.254 -7.114 32.631 1.00 0.00 H new ATOM 807 N VAL A 52 -3.091 -11.261 30.882 1.00 0.00 N ATOM 808 CA VAL A 52 -1.920 -11.198 30.016 1.00 0.00 C ATOM 809 C VAL A 52 -1.732 -9.796 29.446 1.00 0.00 C ATOM 810 O VAL A 52 -2.694 -9.084 29.156 1.00 0.00 O ATOM 811 CB VAL A 52 -2.027 -12.203 28.853 1.00 0.00 C ATOM 812 CG1 VAL A 52 -1.690 -11.528 27.532 1.00 0.00 C ATOM 813 CG2 VAL A 52 -1.119 -13.398 29.098 1.00 0.00 C ATOM 0 H VAL A 52 -3.685 -10.433 30.849 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.058 -11.456 30.631 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.055 -12.562 28.798 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.771 -12.253 26.722 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.385 -10.707 27.355 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.672 -11.140 27.571 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.207 -14.098 28.267 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.086 -13.059 29.180 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.412 -13.894 30.023 1.00 0.00 H new ATOM 823 N PRO A 53 -0.465 -9.389 29.281 1.00 0.00 N ATOM 824 CA PRO A 53 -0.121 -8.069 28.744 1.00 0.00 C ATOM 825 C PRO A 53 -0.459 -7.941 27.262 1.00 0.00 C ATOM 826 O PRO A 53 -0.522 -8.936 26.542 1.00 0.00 O ATOM 827 CB PRO A 53 1.392 -7.983 28.957 1.00 0.00 C ATOM 828 CG PRO A 53 1.852 -9.399 28.987 1.00 0.00 C ATOM 829 CD PRO A 53 0.730 -10.186 29.606 1.00 0.00 C ATOM 0 HA PRO A 53 -0.680 -7.271 29.233 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.874 -7.427 28.153 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.632 -7.469 29.888 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.073 -9.759 27.982 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.767 -9.500 29.570 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.668 -11.192 29.190 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.861 -10.294 30.683 1.00 0.00 H new ATOM 837 N GLY A 54 -0.674 -6.708 26.814 1.00 0.00 N ATOM 838 CA GLY A 54 -1.002 -6.472 25.420 1.00 0.00 C ATOM 839 C GLY A 54 -1.430 -5.042 25.158 1.00 0.00 C ATOM 840 O GLY A 54 -0.676 -4.255 24.585 1.00 0.00 O ATOM 0 H GLY A 54 -0.627 -5.868 27.391 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.136 -6.708 24.802 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.802 -7.148 25.119 1.00 0.00 H new ATOM 844 N LYS A 55 -2.644 -4.702 25.578 1.00 0.00 N ATOM 845 CA LYS A 55 -3.172 -3.357 25.387 1.00 0.00 C ATOM 846 C LYS A 55 -3.722 -2.797 26.694 1.00 0.00 C ATOM 847 O LYS A 55 -4.255 -3.537 27.522 1.00 0.00 O ATOM 848 CB LYS A 55 -4.270 -3.365 24.321 1.00 0.00 C ATOM 849 CG LYS A 55 -4.002 -2.417 23.164 1.00 0.00 C ATOM 850 CD LYS A 55 -4.391 -0.990 23.511 1.00 0.00 C ATOM 851 CE LYS A 55 -5.606 -0.535 22.718 1.00 0.00 C ATOM 852 NZ LYS A 55 -5.319 -0.457 21.259 1.00 0.00 N ATOM 0 H LYS A 55 -3.281 -5.341 26.054 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.355 -2.717 25.054 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.380 -4.377 23.932 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.219 -3.098 24.787 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.945 -2.453 22.900 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.561 -2.744 22.287 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.604 -0.919 24.578 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.553 -0.324 23.308 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.431 -1.226 22.889 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.929 0.442 23.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.978 0.211 20.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.343 -0.129 21.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.435 -1.398 20.832 1.00 0.00 H new ATOM 866 N HIS A 56 -3.591 -1.486 26.874 1.00 0.00 N ATOM 867 CA HIS A 56 -4.077 -0.827 28.081 1.00 0.00 C ATOM 868 C HIS A 56 -3.544 -1.521 29.331 1.00 0.00 C ATOM 869 O HIS A 56 -4.087 -1.357 30.424 1.00 0.00 O ATOM 870 CB HIS A 56 -5.606 -0.818 28.101 1.00 0.00 C ATOM 871 CG HIS A 56 -6.218 -0.240 26.862 1.00 0.00 C ATOM 872 ND1 HIS A 56 -6.253 1.032 26.402 1.00 0.00 N flip ATOM 873 CD2 HIS A 56 -6.896 -1.001 25.932 1.00 0.00 C flip ATOM 874 CE1 HIS A 56 -6.943 1.018 25.215 1.00 0.00 C flip ATOM 875 NE2 HIS A 56 -7.320 -0.221 24.954 1.00 0.00 N flip ATOM 0 H HIS A 56 -3.152 -0.859 26.199 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.715 0.201 28.076 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -5.965 -1.839 28.232 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -5.946 -0.247 28.965 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -5.843 1.850 26.853 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -7.055 -2.067 25.994 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.145 1.879 24.596 1.00 0.00 H new ATOM 883 N THR A 57 -2.479 -2.298 29.162 1.00 0.00 N ATOM 884 CA THR A 57 -1.874 -3.018 30.275 1.00 0.00 C ATOM 885 C THR A 57 -0.590 -2.339 30.736 1.00 0.00 C ATOM 886 O THR A 57 0.453 -2.460 30.094 1.00 0.00 O ATOM 887 CB THR A 57 -1.562 -4.478 29.897 1.00 0.00 C ATOM 888 OG1 THR A 57 -2.091 -4.772 28.599 1.00 0.00 O ATOM 889 CG2 THR A 57 -2.150 -5.440 30.919 1.00 0.00 C ATOM 0 H THR A 57 -2.018 -2.445 28.264 1.00 0.00 H new ATOM 0 HA THR A 57 -2.599 -3.008 31.089 1.00 0.00 H new ATOM 0 HB THR A 57 -0.479 -4.603 29.885 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.328 -5.722 28.550 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.917 -6.465 30.630 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.724 -5.233 31.901 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.232 -5.312 30.959 1.00 0.00 H new ATOM 897 N PHE A 58 -0.672 -1.626 31.855 1.00 0.00 N ATOM 898 CA PHE A 58 0.485 -0.927 32.402 1.00 0.00 C ATOM 899 C PHE A 58 0.440 -0.911 33.927 1.00 0.00 C ATOM 900 O PHE A 58 -0.632 -0.995 34.528 1.00 0.00 O ATOM 901 CB PHE A 58 0.542 0.506 31.867 1.00 0.00 C ATOM 902 CG PHE A 58 0.212 1.545 32.900 1.00 0.00 C ATOM 903 CD1 PHE A 58 1.184 2.004 33.775 1.00 0.00 C ATOM 904 CD2 PHE A 58 -1.069 2.063 32.996 1.00 0.00 C ATOM 905 CE1 PHE A 58 0.883 2.960 34.727 1.00 0.00 C ATOM 906 CE2 PHE A 58 -1.375 3.020 33.945 1.00 0.00 C ATOM 907 CZ PHE A 58 -0.398 3.468 34.812 1.00 0.00 C ATOM 0 H PHE A 58 -1.527 -1.517 32.400 1.00 0.00 H new ATOM 0 HA PHE A 58 1.382 -1.461 32.088 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.540 0.699 31.475 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.152 0.602 31.032 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.188 1.610 33.712 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.837 1.715 32.322 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.649 3.309 35.404 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.377 3.417 34.008 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.636 4.215 35.555 1.00 0.00 H new ATOM 917 N LEU A 59 1.609 -0.802 34.547 1.00 0.00 N ATOM 918 CA LEU A 59 1.705 -0.775 36.002 1.00 0.00 C ATOM 919 C LEU A 59 2.206 0.581 36.490 1.00 0.00 C ATOM 920 O LEU A 59 3.031 1.221 35.838 1.00 0.00 O ATOM 921 CB LEU A 59 2.638 -1.883 36.492 1.00 0.00 C ATOM 922 CG LEU A 59 2.155 -3.316 36.267 1.00 0.00 C ATOM 923 CD1 LEU A 59 2.854 -4.272 37.221 1.00 0.00 C ATOM 924 CD2 LEU A 59 0.645 -3.402 36.435 1.00 0.00 C ATOM 0 H LEU A 59 2.505 -0.731 34.064 1.00 0.00 H new ATOM 0 HA LEU A 59 0.708 -0.941 36.410 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.602 -1.764 35.997 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.808 -1.742 37.559 1.00 0.00 H new ATOM 0 HG LEU A 59 2.405 -3.607 35.247 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.497 -5.287 37.046 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.930 -4.232 37.053 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.636 -3.984 38.249 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.319 -4.429 36.271 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.373 -3.091 37.444 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.160 -2.747 35.710 1.00 0.00 H new ATOM 936 N CYS A 60 1.704 1.012 37.642 1.00 0.00 N ATOM 937 CA CYS A 60 2.101 2.290 38.220 1.00 0.00 C ATOM 938 C CYS A 60 3.560 2.255 38.666 1.00 0.00 C ATOM 939 O CYS A 60 4.197 1.202 38.659 1.00 0.00 O ATOM 940 CB CYS A 60 1.202 2.639 39.407 1.00 0.00 C ATOM 941 SG CYS A 60 -0.575 2.386 39.093 1.00 0.00 S ATOM 0 H CYS A 60 1.021 0.494 38.194 1.00 0.00 H new ATOM 0 HA CYS A 60 1.992 3.057 37.453 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.498 2.034 40.264 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.367 3.681 39.680 1.00 0.00 H new ATOM 946 N SER A 61 4.082 3.415 39.053 1.00 0.00 N ATOM 947 CA SER A 61 5.467 3.519 39.499 1.00 0.00 C ATOM 948 C SER A 61 5.557 3.421 41.019 1.00 0.00 C ATOM 949 O SER A 61 6.644 3.478 41.593 1.00 0.00 O ATOM 950 CB SER A 61 6.080 4.837 39.023 1.00 0.00 C ATOM 951 OG SER A 61 6.427 4.773 37.651 1.00 0.00 O ATOM 0 H SER A 61 3.567 4.295 39.067 1.00 0.00 H new ATOM 0 HA SER A 61 6.026 2.690 39.066 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.372 5.650 39.185 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.967 5.064 39.615 1.00 0.00 H new ATOM 0 HG SER A 61 6.815 5.628 37.372 1.00 0.00 H new ATOM 957 N LYS A 62 4.405 3.275 41.665 1.00 0.00 N ATOM 958 CA LYS A 62 4.351 3.168 43.118 1.00 0.00 C ATOM 959 C LYS A 62 4.767 1.774 43.577 1.00 0.00 C ATOM 960 O LYS A 62 5.488 1.624 44.564 1.00 0.00 O ATOM 961 CB LYS A 62 2.940 3.482 43.621 1.00 0.00 C ATOM 962 CG LYS A 62 2.362 4.764 43.048 1.00 0.00 C ATOM 963 CD LYS A 62 3.427 5.836 42.893 1.00 0.00 C ATOM 964 CE LYS A 62 4.030 6.222 44.236 1.00 0.00 C ATOM 965 NZ LYS A 62 3.177 7.199 44.966 1.00 0.00 N ATOM 0 H LYS A 62 3.496 3.228 41.205 1.00 0.00 H new ATOM 0 HA LYS A 62 5.049 3.893 43.537 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.280 2.652 43.369 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.959 3.556 44.708 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.908 4.558 42.079 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.569 5.130 43.700 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.214 5.476 42.230 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.992 6.717 42.422 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.161 5.328 44.846 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.020 6.650 44.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.622 7.437 45.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.072 8.062 44.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.240 6.782 45.138 1.00 0.00 H new ATOM 979 N HIS A 63 4.310 0.757 42.854 1.00 0.00 N ATOM 980 CA HIS A 63 4.637 -0.625 43.187 1.00 0.00 C ATOM 981 C HIS A 63 6.147 -0.814 43.299 1.00 0.00 C ATOM 982 O HIS A 63 6.644 -1.340 44.295 1.00 0.00 O ATOM 983 CB HIS A 63 4.069 -1.574 42.131 1.00 0.00 C ATOM 984 CG HIS A 63 2.633 -1.308 41.797 1.00 0.00 C ATOM 985 ND1 HIS A 63 1.614 -1.412 42.720 1.00 0.00 N ATOM 986 CD2 HIS A 63 2.049 -0.940 40.633 1.00 0.00 C ATOM 987 CE1 HIS A 63 0.465 -1.120 42.138 1.00 0.00 C ATOM 988 NE2 HIS A 63 0.701 -0.830 40.871 1.00 0.00 N ATOM 0 H HIS A 63 3.713 0.863 42.034 1.00 0.00 H new ATOM 0 HA HIS A 63 4.187 -0.857 44.152 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.666 -1.493 41.223 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.167 -2.600 42.486 1.00 0.00 H new ATOM 0 HD1 HIS A 63 1.730 -1.674 43.699 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.550 -0.765 39.692 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.503 -1.119 42.617 1.00 0.00 H new ATOM 996 N PHE A 64 6.870 -0.384 42.271 1.00 0.00 N ATOM 997 CA PHE A 64 8.323 -0.507 42.253 1.00 0.00 C ATOM 998 C PHE A 64 8.966 0.509 43.191 1.00 0.00 C ATOM 999 O PHE A 64 8.449 1.610 43.380 1.00 0.00 O ATOM 1000 CB PHE A 64 8.855 -0.314 40.831 1.00 0.00 C ATOM 1001 CG PHE A 64 8.247 -1.255 39.831 1.00 0.00 C ATOM 1002 CD1 PHE A 64 7.067 -0.930 39.182 1.00 0.00 C ATOM 1003 CD2 PHE A 64 8.856 -2.465 39.540 1.00 0.00 C ATOM 1004 CE1 PHE A 64 6.506 -1.794 38.260 1.00 0.00 C ATOM 1005 CE2 PHE A 64 8.300 -3.333 38.619 1.00 0.00 C ATOM 1006 CZ PHE A 64 7.122 -2.997 37.979 1.00 0.00 C ATOM 0 H PHE A 64 6.474 0.053 41.439 1.00 0.00 H new ATOM 0 HA PHE A 64 8.582 -1.508 42.597 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.663 0.712 40.516 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.937 -0.450 40.835 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.580 0.009 39.399 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.776 -2.733 40.039 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.586 -1.528 37.760 1.00 0.00 H new ATOM 0 HE2 PHE A 64 8.785 -4.273 38.400 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.684 -3.674 37.261 1.00 0.00 H new ATOM 1016 N GLU A 65 10.098 0.131 43.778 1.00 0.00 N ATOM 1017 CA GLU A 65 10.812 1.008 44.698 1.00 0.00 C ATOM 1018 C GLU A 65 11.668 2.015 43.935 1.00 0.00 C ATOM 1019 O GLU A 65 11.177 3.051 43.488 1.00 0.00 O ATOM 1020 CB GLU A 65 11.691 0.187 45.643 1.00 0.00 C ATOM 1021 CG GLU A 65 10.902 -0.609 46.670 1.00 0.00 C ATOM 1022 CD GLU A 65 11.451 -0.454 48.075 1.00 0.00 C ATOM 1023 OE1 GLU A 65 12.540 -0.999 48.351 1.00 0.00 O ATOM 1024 OE2 GLU A 65 10.791 0.214 48.898 1.00 0.00 O ATOM 0 H GLU A 65 10.540 -0.777 43.632 1.00 0.00 H new ATOM 0 HA GLU A 65 10.074 1.555 45.285 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.301 -0.499 45.055 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.376 0.857 46.163 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.861 -0.286 46.653 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.913 -1.663 46.394 1.00 0.00 H new ATOM 1031 N ALA A 66 12.952 1.703 43.792 1.00 0.00 N ATOM 1032 CA ALA A 66 13.877 2.578 43.083 1.00 0.00 C ATOM 1033 C ALA A 66 14.925 1.771 42.325 1.00 0.00 C ATOM 1034 O ALA A 66 15.261 2.088 41.184 1.00 0.00 O ATOM 1035 CB ALA A 66 14.548 3.536 44.057 1.00 0.00 C ATOM 0 H ALA A 66 13.375 0.850 44.158 1.00 0.00 H new ATOM 0 HA ALA A 66 13.307 3.156 42.356 1.00 0.00 H new ATOM 0 HB1 ALA A 66 15.236 4.184 43.514 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.790 4.144 44.550 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.099 2.967 44.806 1.00 0.00 H new ATOM 1041 N SER A 67 15.438 0.725 42.966 1.00 0.00 N ATOM 1042 CA SER A 67 16.452 -0.125 42.353 1.00 0.00 C ATOM 1043 C SER A 67 15.943 -0.718 41.043 1.00 0.00 C ATOM 1044 O SER A 67 16.728 -1.157 40.202 1.00 0.00 O ATOM 1045 CB SER A 67 16.854 -1.247 43.312 1.00 0.00 C ATOM 1046 OG SER A 67 18.153 -1.029 43.836 1.00 0.00 O ATOM 0 H SER A 67 15.168 0.446 43.909 1.00 0.00 H new ATOM 0 HA SER A 67 17.326 0.490 42.138 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.134 -1.307 44.129 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.825 -2.204 42.790 1.00 0.00 H new ATOM 0 HG SER A 67 18.386 -1.759 44.447 1.00 0.00 H new ATOM 1052 N CYS A 68 14.625 -0.729 40.878 1.00 0.00 N ATOM 1053 CA CYS A 68 14.010 -1.269 39.671 1.00 0.00 C ATOM 1054 C CYS A 68 13.982 -0.223 38.561 1.00 0.00 C ATOM 1055 O CYS A 68 13.794 -0.552 37.389 1.00 0.00 O ATOM 1056 CB CYS A 68 12.590 -1.752 39.970 1.00 0.00 C ATOM 1057 SG CYS A 68 12.511 -3.401 40.706 1.00 0.00 S ATOM 0 H CYS A 68 13.962 -0.370 41.565 1.00 0.00 H new ATOM 0 HA CYS A 68 14.610 -2.114 39.334 1.00 0.00 H new ATOM 0 HB2 CYS A 68 12.110 -1.042 40.644 1.00 0.00 H new ATOM 0 HB3 CYS A 68 12.015 -1.751 39.044 1.00 0.00 H new ATOM 0 HG CYS A 68 11.457 -4.023 40.266 1.00 0.00 H new ATOM 1063 N PHE A 69 14.168 1.037 38.937 1.00 0.00 N ATOM 1064 CA PHE A 69 14.161 2.132 37.974 1.00 0.00 C ATOM 1065 C PHE A 69 15.584 2.549 37.614 1.00 0.00 C ATOM 1066 O PHE A 69 16.553 1.920 38.040 1.00 0.00 O ATOM 1067 CB PHE A 69 13.394 3.330 38.536 1.00 0.00 C ATOM 1068 CG PHE A 69 11.918 3.086 38.674 1.00 0.00 C ATOM 1069 CD1 PHE A 69 11.093 3.100 37.560 1.00 0.00 C ATOM 1070 CD2 PHE A 69 11.356 2.841 39.916 1.00 0.00 C ATOM 1071 CE1 PHE A 69 9.735 2.877 37.685 1.00 0.00 C ATOM 1072 CE2 PHE A 69 9.998 2.616 40.046 1.00 0.00 C ATOM 1073 CZ PHE A 69 9.187 2.633 38.929 1.00 0.00 C ATOM 0 H PHE A 69 14.326 1.326 39.902 1.00 0.00 H new ATOM 0 HA PHE A 69 13.663 1.783 37.069 1.00 0.00 H new ATOM 0 HB2 PHE A 69 13.804 3.588 39.512 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.553 4.190 37.886 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.516 3.287 36.584 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.986 2.826 40.793 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.102 2.894 36.810 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.572 2.427 41.020 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.126 2.456 39.028 1.00 0.00 H new ATOM 1083 N ASP A 70 15.702 3.612 36.827 1.00 0.00 N ATOM 1084 CA ASP A 70 17.006 4.114 36.409 1.00 0.00 C ATOM 1085 C ASP A 70 17.152 5.595 36.748 1.00 0.00 C ATOM 1086 O ASP A 70 17.808 6.346 36.025 1.00 0.00 O ATOM 1087 CB ASP A 70 17.201 3.901 34.908 1.00 0.00 C ATOM 1088 CG ASP A 70 18.517 3.220 34.586 1.00 0.00 C ATOM 1089 OD1 ASP A 70 19.416 3.226 35.453 1.00 0.00 O ATOM 1090 OD2 ASP A 70 18.648 2.680 33.468 1.00 0.00 O ATOM 0 H ASP A 70 14.910 4.143 36.465 1.00 0.00 H new ATOM 0 HA ASP A 70 17.772 3.558 36.949 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.379 3.299 34.520 1.00 0.00 H new ATOM 0 HB3 ASP A 70 17.159 4.864 34.399 1.00 0.00 H new ATOM 1095 N LEU A 71 16.537 6.007 37.851 1.00 0.00 N ATOM 1096 CA LEU A 71 16.597 7.398 38.286 1.00 0.00 C ATOM 1097 C LEU A 71 17.975 7.994 38.015 1.00 0.00 C ATOM 1098 O LEU A 71 18.104 9.186 37.733 1.00 0.00 O ATOM 1099 CB LEU A 71 16.268 7.502 39.776 1.00 0.00 C ATOM 1100 CG LEU A 71 15.199 6.540 40.296 1.00 0.00 C ATOM 1101 CD1 LEU A 71 15.844 5.361 41.009 1.00 0.00 C ATOM 1102 CD2 LEU A 71 14.236 7.265 41.224 1.00 0.00 C ATOM 0 H LEU A 71 15.991 5.398 38.460 1.00 0.00 H new ATOM 0 HA LEU A 71 15.859 7.963 37.717 1.00 0.00 H new ATOM 0 HB2 LEU A 71 17.184 7.336 40.342 1.00 0.00 H new ATOM 0 HB3 LEU A 71 15.944 8.521 39.986 1.00 0.00 H new ATOM 0 HG LEU A 71 14.634 6.159 39.445 1.00 0.00 H new ATOM 0 HD11 LEU A 71 15.068 4.687 41.372 1.00 0.00 H new ATOM 0 HD12 LEU A 71 16.493 4.827 40.315 1.00 0.00 H new ATOM 0 HD13 LEU A 71 16.433 5.723 41.851 1.00 0.00 H new ATOM 0 HD21 LEU A 71 13.482 6.565 41.585 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.786 7.674 42.071 1.00 0.00 H new ATOM 0 HD23 LEU A 71 13.749 8.076 40.682 1.00 0.00 H new ATOM 1114 N THR A 72 19.004 7.156 38.099 1.00 0.00 N ATOM 1115 CA THR A 72 20.372 7.599 37.862 1.00 0.00 C ATOM 1116 C THR A 72 20.534 8.153 36.451 1.00 0.00 C ATOM 1117 O THR A 72 20.924 7.433 35.533 1.00 0.00 O ATOM 1118 CB THR A 72 21.378 6.451 38.070 1.00 0.00 C ATOM 1119 OG1 THR A 72 22.716 6.941 37.927 1.00 0.00 O ATOM 1120 CG2 THR A 72 21.133 5.330 37.071 1.00 0.00 C ATOM 0 H THR A 72 18.915 6.166 38.330 1.00 0.00 H new ATOM 0 HA THR A 72 20.579 8.388 38.585 1.00 0.00 H new ATOM 0 HB THR A 72 21.242 6.055 39.076 1.00 0.00 H new ATOM 0 HG1 THR A 72 23.350 6.206 38.062 1.00 0.00 H new ATOM 0 HG21 THR A 72 21.855 4.531 37.237 1.00 0.00 H new ATOM 0 HG22 THR A 72 20.124 4.940 37.202 1.00 0.00 H new ATOM 0 HG23 THR A 72 21.245 5.715 36.057 1.00 0.00 H new ATOM 1128 N GLY A 73 20.232 9.437 36.286 1.00 0.00 N ATOM 1129 CA GLY A 73 20.351 10.065 34.983 1.00 0.00 C ATOM 1130 C GLY A 73 19.015 10.202 34.281 1.00 0.00 C ATOM 1131 O GLY A 73 18.487 9.229 33.743 1.00 0.00 O ATOM 0 H GLY A 73 19.907 10.053 37.031 1.00 0.00 H new ATOM 0 HA2 GLY A 73 20.800 11.051 35.098 1.00 0.00 H new ATOM 0 HA3 GLY A 73 21.026 9.478 34.361 1.00 0.00 H new ATOM 1135 N GLN A 74 18.466 11.413 34.286 1.00 0.00 N ATOM 1136 CA GLN A 74 17.182 11.672 33.647 1.00 0.00 C ATOM 1137 C GLN A 74 16.032 11.151 34.503 1.00 0.00 C ATOM 1138 O GLN A 74 16.237 10.351 35.417 1.00 0.00 O ATOM 1139 CB GLN A 74 17.137 11.023 32.262 1.00 0.00 C ATOM 1140 CG GLN A 74 16.406 11.857 31.223 1.00 0.00 C ATOM 1141 CD GLN A 74 17.262 12.159 30.009 1.00 0.00 C ATOM 1142 OE1 GLN A 74 17.869 11.261 29.424 1.00 0.00 O ATOM 1143 NE2 GLN A 74 17.316 13.428 29.623 1.00 0.00 N ATOM 0 H GLN A 74 18.891 12.230 34.726 1.00 0.00 H new ATOM 0 HA GLN A 74 17.070 12.751 33.539 1.00 0.00 H new ATOM 0 HB2 GLN A 74 18.157 10.844 31.920 1.00 0.00 H new ATOM 0 HB3 GLN A 74 16.652 10.050 32.341 1.00 0.00 H new ATOM 0 HG2 GLN A 74 15.507 11.329 30.906 1.00 0.00 H new ATOM 0 HG3 GLN A 74 16.083 12.794 31.677 1.00 0.00 H new ATOM 0 HE21 GLN A 74 16.797 14.140 30.137 1.00 0.00 H new ATOM 0 HE22 GLN A 74 17.876 13.691 28.812 1.00 0.00 H new ATOM 1152 N THR A 75 14.821 11.609 34.201 1.00 0.00 N ATOM 1153 CA THR A 75 13.639 11.190 34.944 1.00 0.00 C ATOM 1154 C THR A 75 13.670 9.693 35.228 1.00 0.00 C ATOM 1155 O THR A 75 14.433 8.950 34.611 1.00 0.00 O ATOM 1156 CB THR A 75 12.346 11.529 34.179 1.00 0.00 C ATOM 1157 OG1 THR A 75 11.348 10.536 34.439 1.00 0.00 O ATOM 1158 CG2 THR A 75 12.608 11.612 32.683 1.00 0.00 C ATOM 0 H THR A 75 14.633 12.270 33.447 1.00 0.00 H new ATOM 0 HA THR A 75 13.649 11.736 35.887 1.00 0.00 H new ATOM 0 HB THR A 75 11.990 12.500 34.524 1.00 0.00 H new ATOM 0 HG1 THR A 75 10.529 10.760 33.950 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.680 11.852 32.164 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.346 12.389 32.485 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.986 10.654 32.326 1.00 0.00 H new ATOM 1166 N ARG A 76 12.836 9.256 36.166 1.00 0.00 N ATOM 1167 CA ARG A 76 12.769 7.846 36.533 1.00 0.00 C ATOM 1168 C ARG A 76 12.451 6.983 35.315 1.00 0.00 C ATOM 1169 O ARG A 76 11.691 7.388 34.436 1.00 0.00 O ATOM 1170 CB ARG A 76 11.710 7.629 37.615 1.00 0.00 C ATOM 1171 CG ARG A 76 12.292 7.440 39.007 1.00 0.00 C ATOM 1172 CD ARG A 76 11.389 8.038 40.074 1.00 0.00 C ATOM 1173 NE ARG A 76 10.463 7.051 40.623 1.00 0.00 N ATOM 1174 CZ ARG A 76 9.780 7.230 41.749 1.00 0.00 C ATOM 1175 NH1 ARG A 76 9.918 8.353 42.440 1.00 0.00 N ATOM 1176 NH2 ARG A 76 8.956 6.285 42.184 1.00 0.00 N ATOM 0 H ARG A 76 12.197 9.858 36.686 1.00 0.00 H new ATOM 0 HA ARG A 76 13.743 7.550 36.923 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.033 8.484 37.626 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.114 6.754 37.358 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.433 6.377 39.202 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.276 7.907 39.058 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.000 8.448 40.878 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.824 8.867 39.648 1.00 0.00 H new ATOM 0 HE ARG A 76 10.333 6.176 40.114 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.549 9.082 42.108 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.393 8.488 43.304 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.846 5.420 41.654 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.432 6.423 43.048 1.00 0.00 H new ATOM 1190 N ARG A 77 13.040 5.792 35.271 1.00 0.00 N ATOM 1191 CA ARG A 77 12.821 4.872 34.161 1.00 0.00 C ATOM 1192 C ARG A 77 12.896 3.423 34.633 1.00 0.00 C ATOM 1193 O ARG A 77 13.876 3.011 35.256 1.00 0.00 O ATOM 1194 CB ARG A 77 13.854 5.115 33.059 1.00 0.00 C ATOM 1195 CG ARG A 77 13.790 6.511 32.461 1.00 0.00 C ATOM 1196 CD ARG A 77 14.873 6.719 31.414 1.00 0.00 C ATOM 1197 NE ARG A 77 14.444 7.627 30.355 1.00 0.00 N ATOM 1198 CZ ARG A 77 13.425 7.377 29.540 1.00 0.00 C ATOM 1199 NH1 ARG A 77 12.734 6.253 29.664 1.00 0.00 N ATOM 1200 NH2 ARG A 77 13.095 8.254 28.601 1.00 0.00 N ATOM 0 H ARG A 77 13.672 5.442 35.991 1.00 0.00 H new ATOM 0 HA ARG A 77 11.823 5.054 33.761 1.00 0.00 H new ATOM 0 HB2 ARG A 77 14.852 4.948 33.465 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.706 4.382 32.266 1.00 0.00 H new ATOM 0 HG2 ARG A 77 12.811 6.670 32.010 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.900 7.252 33.252 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.768 7.117 31.892 1.00 0.00 H new ATOM 0 HD3 ARG A 77 15.146 5.758 30.979 1.00 0.00 H new ATOM 0 HE ARG A 77 14.955 8.502 30.234 1.00 0.00 H new ATOM 0 HH11 ARG A 77 12.984 5.578 30.386 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.952 6.063 29.037 1.00 0.00 H new ATOM 0 HH21 ARG A 77 13.624 9.121 28.504 1.00 0.00 H new ATOM 0 HH22 ARG A 77 12.313 8.061 27.976 1.00 0.00 H new ATOM 1214 N LEU A 78 11.855 2.655 34.334 1.00 0.00 N ATOM 1215 CA LEU A 78 11.802 1.251 34.728 1.00 0.00 C ATOM 1216 C LEU A 78 12.622 0.387 33.775 1.00 0.00 C ATOM 1217 O LEU A 78 12.308 0.282 32.589 1.00 0.00 O ATOM 1218 CB LEU A 78 10.352 0.764 34.757 1.00 0.00 C ATOM 1219 CG LEU A 78 10.103 -0.558 35.485 1.00 0.00 C ATOM 1220 CD1 LEU A 78 11.089 -1.618 35.020 1.00 0.00 C ATOM 1221 CD2 LEU A 78 10.197 -0.363 36.991 1.00 0.00 C ATOM 0 H LEU A 78 11.036 2.980 33.820 1.00 0.00 H new ATOM 0 HA LEU A 78 12.229 1.163 35.727 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.740 1.535 35.226 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.003 0.661 33.729 1.00 0.00 H new ATOM 0 HG LEU A 78 9.096 -0.899 35.245 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.896 -2.551 35.549 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.973 -1.778 33.948 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.106 -1.286 35.229 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.017 -1.314 37.493 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.191 0.001 37.249 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.450 0.363 37.311 1.00 0.00 H new ATOM 1233 N LYS A 79 13.672 -0.233 34.302 1.00 0.00 N ATOM 1234 CA LYS A 79 14.536 -1.091 33.500 1.00 0.00 C ATOM 1235 C LYS A 79 13.783 -2.329 33.024 1.00 0.00 C ATOM 1236 O LYS A 79 13.028 -2.938 33.782 1.00 0.00 O ATOM 1237 CB LYS A 79 15.766 -1.510 34.310 1.00 0.00 C ATOM 1238 CG LYS A 79 16.650 -0.345 34.720 1.00 0.00 C ATOM 1239 CD LYS A 79 16.933 -0.359 36.213 1.00 0.00 C ATOM 1240 CE LYS A 79 17.522 -1.690 36.656 1.00 0.00 C ATOM 1241 NZ LYS A 79 16.602 -2.429 37.564 1.00 0.00 N ATOM 0 H LYS A 79 13.945 -0.157 35.282 1.00 0.00 H new ATOM 0 HA LYS A 79 14.858 -0.525 32.626 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.438 -2.039 35.205 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.356 -2.213 33.722 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.590 -0.389 34.170 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.166 0.593 34.449 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.624 0.447 36.461 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.011 -0.168 36.761 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.736 -2.302 35.780 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.471 -1.516 37.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.953 -2.365 38.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.651 -2.011 37.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.558 -3.427 37.276 1.00 0.00 H new ATOM 1255 N MET A 80 13.993 -2.695 31.764 1.00 0.00 N ATOM 1256 CA MET A 80 13.335 -3.862 31.188 1.00 0.00 C ATOM 1257 C MET A 80 13.633 -5.114 32.007 1.00 0.00 C ATOM 1258 O MET A 80 12.903 -6.103 31.935 1.00 0.00 O ATOM 1259 CB MET A 80 13.786 -4.066 29.740 1.00 0.00 C ATOM 1260 CG MET A 80 15.234 -3.676 29.495 1.00 0.00 C ATOM 1261 SD MET A 80 16.021 -4.688 28.226 1.00 0.00 S ATOM 1262 CE MET A 80 16.403 -6.167 29.161 1.00 0.00 C ATOM 0 H MET A 80 14.613 -2.201 31.123 1.00 0.00 H new ATOM 0 HA MET A 80 12.259 -3.686 31.204 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.649 -5.113 29.469 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.144 -3.480 29.082 1.00 0.00 H new ATOM 0 HG2 MET A 80 15.279 -2.628 29.198 1.00 0.00 H new ATOM 0 HG3 MET A 80 15.793 -3.768 30.426 1.00 0.00 H new ATOM 0 HE1 MET A 80 16.895 -6.891 28.512 1.00 0.00 H new ATOM 0 HE2 MET A 80 17.065 -5.913 29.989 1.00 0.00 H new ATOM 0 HE3 MET A 80 15.482 -6.598 29.553 1.00 0.00 H new ATOM 1272 N ASP A 81 14.709 -5.065 32.784 1.00 0.00 N ATOM 1273 CA ASP A 81 15.103 -6.195 33.617 1.00 0.00 C ATOM 1274 C ASP A 81 14.674 -5.978 35.065 1.00 0.00 C ATOM 1275 O ASP A 81 15.262 -6.540 35.988 1.00 0.00 O ATOM 1276 CB ASP A 81 16.617 -6.405 33.547 1.00 0.00 C ATOM 1277 CG ASP A 81 16.988 -7.739 32.931 1.00 0.00 C ATOM 1278 OD1 ASP A 81 16.190 -8.264 32.128 1.00 0.00 O ATOM 1279 OD2 ASP A 81 18.077 -8.259 33.254 1.00 0.00 O ATOM 0 H ASP A 81 15.324 -4.255 32.854 1.00 0.00 H new ATOM 0 HA ASP A 81 14.603 -7.086 33.238 1.00 0.00 H new ATOM 0 HB2 ASP A 81 17.066 -5.601 32.963 1.00 0.00 H new ATOM 0 HB3 ASP A 81 17.036 -6.342 34.551 1.00 0.00 H new ATOM 1284 N ALA A 82 13.644 -5.159 35.255 1.00 0.00 N ATOM 1285 CA ALA A 82 13.136 -4.869 36.590 1.00 0.00 C ATOM 1286 C ALA A 82 11.737 -5.447 36.782 1.00 0.00 C ATOM 1287 O ALA A 82 10.859 -5.267 35.938 1.00 0.00 O ATOM 1288 CB ALA A 82 13.127 -3.368 36.837 1.00 0.00 C ATOM 0 H ALA A 82 13.146 -4.685 34.502 1.00 0.00 H new ATOM 0 HA ALA A 82 13.799 -5.341 37.315 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.745 -3.166 37.838 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.141 -2.979 36.750 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.488 -2.882 36.100 1.00 0.00 H new ATOM 1294 N VAL A 83 11.537 -6.142 37.897 1.00 0.00 N ATOM 1295 CA VAL A 83 10.244 -6.745 38.200 1.00 0.00 C ATOM 1296 C VAL A 83 9.697 -6.234 39.528 1.00 0.00 C ATOM 1297 O VAL A 83 10.443 -5.860 40.433 1.00 0.00 O ATOM 1298 CB VAL A 83 10.341 -8.281 38.254 1.00 0.00 C ATOM 1299 CG1 VAL A 83 9.754 -8.898 36.994 1.00 0.00 C ATOM 1300 CG2 VAL A 83 11.786 -8.717 38.448 1.00 0.00 C ATOM 0 H VAL A 83 12.253 -6.302 38.605 1.00 0.00 H new ATOM 0 HA VAL A 83 9.565 -6.459 37.397 1.00 0.00 H new ATOM 0 HB VAL A 83 9.761 -8.634 39.107 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.832 -9.984 37.050 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.706 -8.613 36.904 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.303 -8.540 36.123 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.836 -9.805 38.484 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.390 -8.353 37.617 1.00 0.00 H new ATOM 0 HG23 VAL A 83 12.168 -8.305 39.382 1.00 0.00 H new ATOM 1310 N PRO A 84 8.361 -6.217 39.650 1.00 0.00 N ATOM 1311 CA PRO A 84 7.683 -5.755 40.864 1.00 0.00 C ATOM 1312 C PRO A 84 7.876 -6.712 42.036 1.00 0.00 C ATOM 1313 O PRO A 84 7.007 -7.533 42.331 1.00 0.00 O ATOM 1314 CB PRO A 84 6.210 -5.706 40.451 1.00 0.00 C ATOM 1315 CG PRO A 84 6.095 -6.691 39.339 1.00 0.00 C ATOM 1316 CD PRO A 84 7.410 -6.649 38.611 1.00 0.00 C ATOM 0 HA PRO A 84 8.075 -4.799 41.211 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.557 -5.970 41.283 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.923 -4.706 40.125 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.893 -7.691 39.723 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.272 -6.433 38.673 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.675 -7.625 38.204 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.384 -5.951 37.774 1.00 0.00 H new ATOM 1324 N THR A 85 9.021 -6.601 42.702 1.00 0.00 N ATOM 1325 CA THR A 85 9.329 -7.457 43.841 1.00 0.00 C ATOM 1326 C THR A 85 8.751 -6.884 45.131 1.00 0.00 C ATOM 1327 O THR A 85 9.194 -7.229 46.227 1.00 0.00 O ATOM 1328 CB THR A 85 10.848 -7.642 44.011 1.00 0.00 C ATOM 1329 OG1 THR A 85 11.400 -6.533 44.729 1.00 0.00 O ATOM 1330 CG2 THR A 85 11.532 -7.768 42.658 1.00 0.00 C ATOM 0 H THR A 85 9.751 -5.926 42.472 1.00 0.00 H new ATOM 0 HA THR A 85 8.873 -8.426 43.640 1.00 0.00 H new ATOM 0 HB THR A 85 11.019 -8.559 44.574 1.00 0.00 H new ATOM 0 HG1 THR A 85 12.366 -6.660 44.834 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.604 -7.898 42.803 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.131 -8.631 42.126 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.352 -6.866 42.074 1.00 0.00 H new ATOM 1338 N ILE A 86 7.761 -6.009 44.993 1.00 0.00 N ATOM 1339 CA ILE A 86 7.122 -5.391 46.148 1.00 0.00 C ATOM 1340 C ILE A 86 5.603 -5.463 46.040 1.00 0.00 C ATOM 1341 O ILE A 86 4.951 -6.196 46.785 1.00 0.00 O ATOM 1342 CB ILE A 86 7.545 -3.918 46.303 1.00 0.00 C ATOM 1343 CG1 ILE A 86 9.022 -3.748 45.943 1.00 0.00 C ATOM 1344 CG2 ILE A 86 7.281 -3.438 47.723 1.00 0.00 C ATOM 1345 CD1 ILE A 86 9.250 -2.906 44.707 1.00 0.00 C ATOM 0 H ILE A 86 7.384 -5.712 44.093 1.00 0.00 H new ATOM 0 HA ILE A 86 7.448 -5.949 47.026 1.00 0.00 H new ATOM 0 HB ILE A 86 6.952 -3.311 45.619 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.542 -3.291 46.785 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.466 -4.732 45.790 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.585 -2.395 47.817 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.218 -3.527 47.946 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.851 -4.047 48.425 1.00 0.00 H new ATOM 0 HD11 ILE A 86 10.320 -2.828 44.512 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.758 -3.372 43.853 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.836 -1.910 44.864 1.00 0.00 H new ATOM 1357 N PHE A 87 5.044 -4.699 45.108 1.00 0.00 N ATOM 1358 CA PHE A 87 3.600 -4.677 44.902 1.00 0.00 C ATOM 1359 C PHE A 87 2.874 -4.277 46.182 1.00 0.00 C ATOM 1360 O PHE A 87 2.329 -5.124 46.891 1.00 0.00 O ATOM 1361 CB PHE A 87 3.110 -6.048 44.431 1.00 0.00 C ATOM 1362 CG PHE A 87 2.728 -6.082 42.979 1.00 0.00 C ATOM 1363 CD1 PHE A 87 1.897 -5.110 42.445 1.00 0.00 C ATOM 1364 CD2 PHE A 87 3.198 -7.087 42.149 1.00 0.00 C ATOM 1365 CE1 PHE A 87 1.544 -5.138 41.109 1.00 0.00 C ATOM 1366 CE2 PHE A 87 2.848 -7.120 40.812 1.00 0.00 C ATOM 1367 CZ PHE A 87 2.019 -6.145 40.292 1.00 0.00 C ATOM 0 H PHE A 87 5.568 -4.087 44.483 1.00 0.00 H new ATOM 0 HA PHE A 87 3.379 -3.936 44.134 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.892 -6.786 44.610 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.250 -6.344 45.032 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.521 -4.322 43.080 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.845 -7.853 42.551 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.897 -4.373 40.704 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.222 -7.907 40.175 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.743 -6.170 39.248 1.00 0.00 H new ATOM 1377 N ASP A 88 2.871 -2.980 46.473 1.00 0.00 N ATOM 1378 CA ASP A 88 2.212 -2.466 47.668 1.00 0.00 C ATOM 1379 C ASP A 88 0.917 -3.225 47.943 1.00 0.00 C ATOM 1380 O ASP A 88 -0.073 -3.064 47.229 1.00 0.00 O ATOM 1381 CB ASP A 88 1.919 -0.973 47.512 1.00 0.00 C ATOM 1382 CG ASP A 88 3.162 -0.119 47.675 1.00 0.00 C ATOM 1383 OD1 ASP A 88 3.661 -0.011 48.814 1.00 0.00 O ATOM 1384 OD2 ASP A 88 3.634 0.441 46.664 1.00 0.00 O ATOM 0 H ASP A 88 3.318 -2.266 45.898 1.00 0.00 H new ATOM 0 HA ASP A 88 2.884 -2.610 48.514 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.483 -0.792 46.529 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.176 -0.672 48.250 1.00 0.00 H new ATOM 1389 N PHE A 89 0.932 -4.053 48.982 1.00 0.00 N ATOM 1390 CA PHE A 89 -0.240 -4.838 49.351 1.00 0.00 C ATOM 1391 C PHE A 89 -1.405 -3.930 49.732 1.00 0.00 C ATOM 1392 O PHE A 89 -1.364 -2.720 49.504 1.00 0.00 O ATOM 1393 CB PHE A 89 0.093 -5.774 50.514 1.00 0.00 C ATOM 1394 CG PHE A 89 0.161 -5.079 51.844 1.00 0.00 C ATOM 1395 CD1 PHE A 89 1.292 -4.368 52.212 1.00 0.00 C ATOM 1396 CD2 PHE A 89 -0.907 -5.135 52.725 1.00 0.00 C ATOM 1397 CE1 PHE A 89 1.357 -3.726 53.435 1.00 0.00 C ATOM 1398 CE2 PHE A 89 -0.848 -4.495 53.948 1.00 0.00 C ATOM 1399 CZ PHE A 89 0.286 -3.791 54.304 1.00 0.00 C ATOM 0 H PHE A 89 1.743 -4.198 49.583 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.534 -5.434 48.487 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.659 -6.561 50.563 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.049 -6.259 50.317 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.132 -4.315 51.536 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.796 -5.685 52.453 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.244 -3.175 53.710 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.688 -4.545 54.625 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.335 -3.292 55.261 1.00 0.00 H new ATOM 1409 N CYS A 90 -2.444 -4.522 50.311 1.00 0.00 N ATOM 1410 CA CYS A 90 -3.622 -3.767 50.723 1.00 0.00 C ATOM 1411 C CYS A 90 -4.501 -4.597 51.653 1.00 0.00 C ATOM 1412 O CYS A 90 -5.018 -4.093 52.651 1.00 0.00 O ATOM 1413 CB CYS A 90 -4.426 -3.329 49.498 1.00 0.00 C ATOM 1414 SG CYS A 90 -5.712 -2.110 49.857 1.00 0.00 S ATOM 0 H CYS A 90 -2.495 -5.522 50.506 1.00 0.00 H new ATOM 0 HA CYS A 90 -3.286 -2.882 51.264 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -3.743 -2.913 48.758 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -4.888 -4.207 49.047 1.00 0.00 H new ATOM 0 HG CYS A 90 -6.335 -1.801 48.759 1.00 0.00 H new ATOM 1420 N THR A 91 -4.669 -5.873 51.319 1.00 0.00 N ATOM 1421 CA THR A 91 -5.488 -6.772 52.122 1.00 0.00 C ATOM 1422 C THR A 91 -4.621 -7.713 52.950 1.00 0.00 C ATOM 1423 O THR A 91 -3.415 -7.823 52.724 1.00 0.00 O ATOM 1424 CB THR A 91 -6.435 -7.607 51.241 1.00 0.00 C ATOM 1425 OG1 THR A 91 -5.742 -8.066 50.074 1.00 0.00 O ATOM 1426 CG2 THR A 91 -7.650 -6.790 50.827 1.00 0.00 C ATOM 0 H THR A 91 -4.248 -6.307 50.497 1.00 0.00 H new ATOM 0 HA THR A 91 -6.082 -6.147 52.789 1.00 0.00 H new ATOM 0 HB THR A 91 -6.774 -8.464 51.822 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.351 -8.598 49.520 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.305 -7.401 50.205 1.00 0.00 H new ATOM 0 HG22 THR A 91 -8.192 -6.467 51.716 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.325 -5.916 50.263 1.00 0.00 H new ATOM 1434 N HIS A 92 -5.241 -8.391 53.910 1.00 0.00 N ATOM 1435 CA HIS A 92 -4.525 -9.325 54.772 1.00 0.00 C ATOM 1436 C HIS A 92 -4.878 -10.768 54.422 1.00 0.00 C ATOM 1437 O HIS A 92 -4.750 -11.667 55.253 1.00 0.00 O ATOM 1438 CB HIS A 92 -4.851 -9.050 56.240 1.00 0.00 C ATOM 1439 CG HIS A 92 -4.672 -7.617 56.635 1.00 0.00 C ATOM 1440 ND1 HIS A 92 -5.300 -6.496 56.209 1.00 0.00 N flip ATOM 1441 CD2 HIS A 92 -3.753 -7.204 57.576 1.00 0.00 C flip ATOM 1442 CE1 HIS A 92 -4.756 -5.438 56.894 1.00 0.00 C flip ATOM 1443 NE2 HIS A 92 -3.825 -5.892 57.713 1.00 0.00 N flip ATOM 0 H HIS A 92 -6.238 -8.311 54.111 1.00 0.00 H new ATOM 0 HA HIS A 92 -3.456 -9.182 54.612 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -5.881 -9.346 56.436 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -4.215 -9.674 56.868 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -3.079 -7.852 58.117 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -5.043 -4.403 56.781 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -3.258 -5.326 58.344 1.00 0.00 H new ATOM 1451 N ILE A 93 -5.324 -10.980 53.188 1.00 0.00 N ATOM 1452 CA ILE A 93 -5.695 -12.312 52.729 1.00 0.00 C ATOM 1453 C ILE A 93 -6.642 -12.989 53.714 1.00 0.00 C ATOM 1454 O ILE A 93 -6.542 -14.191 53.961 1.00 0.00 O ATOM 1455 CB ILE A 93 -4.456 -13.205 52.529 1.00 0.00 C ATOM 1456 CG1 ILE A 93 -3.306 -12.392 51.931 1.00 0.00 C ATOM 1457 CG2 ILE A 93 -4.794 -14.390 51.638 1.00 0.00 C ATOM 1458 CD1 ILE A 93 -2.013 -13.169 51.815 1.00 0.00 C ATOM 0 H ILE A 93 -5.437 -10.246 52.489 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.200 -12.186 51.771 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.141 -13.586 53.500 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.598 -12.038 50.942 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.136 -11.510 52.548 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.908 -15.011 51.507 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.585 -14.980 52.101 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.132 -14.030 50.666 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.242 -12.530 51.383 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.698 -13.500 52.804 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.166 -14.037 51.174 1.00 0.00 H new ATOM 1470 N SER A 94 -7.562 -12.210 54.273 1.00 0.00 N ATOM 1471 CA SER A 94 -8.527 -12.733 55.233 1.00 0.00 C ATOM 1472 C SER A 94 -7.883 -12.918 56.604 1.00 0.00 C ATOM 1473 O SER A 94 -8.230 -13.835 57.347 1.00 0.00 O ATOM 1474 CB SER A 94 -9.096 -14.065 54.741 1.00 0.00 C ATOM 1475 OG SER A 94 -9.000 -14.171 53.331 1.00 0.00 O ATOM 0 H SER A 94 -7.660 -11.214 54.078 1.00 0.00 H new ATOM 0 HA SER A 94 -9.338 -12.011 55.326 1.00 0.00 H new ATOM 0 HB2 SER A 94 -8.557 -14.889 55.208 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.139 -14.153 55.045 1.00 0.00 H new ATOM 0 HG SER A 94 -8.126 -14.543 53.090 1.00 0.00 H new ATOM 1481 N GLY A 95 -6.941 -12.038 56.932 1.00 0.00 N ATOM 1482 CA GLY A 95 -6.263 -12.120 58.212 1.00 0.00 C ATOM 1483 C GLY A 95 -5.000 -12.956 58.147 1.00 0.00 C ATOM 1484 O GLY A 95 -4.729 -13.633 57.155 1.00 0.00 O ATOM 0 H GLY A 95 -6.636 -11.270 56.334 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.013 -11.115 58.552 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.940 -12.547 58.952 1.00 0.00 H new ATOM 1488 N PRO A 96 -4.202 -12.915 59.224 1.00 0.00 N ATOM 1489 CA PRO A 96 -2.947 -13.668 59.309 1.00 0.00 C ATOM 1490 C PRO A 96 -3.179 -15.171 59.417 1.00 0.00 C ATOM 1491 O PRO A 96 -4.293 -15.619 59.687 1.00 0.00 O ATOM 1492 CB PRO A 96 -2.298 -13.133 60.588 1.00 0.00 C ATOM 1493 CG PRO A 96 -3.437 -12.643 61.414 1.00 0.00 C ATOM 1494 CD PRO A 96 -4.463 -12.130 60.442 1.00 0.00 C ATOM 0 HA PRO A 96 -2.333 -13.539 58.418 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -1.741 -13.914 61.106 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.594 -12.330 60.369 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -3.847 -13.445 62.028 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -3.115 -11.854 62.094 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -5.477 -12.284 60.810 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.348 -11.061 60.263 1.00 0.00 H new ATOM 1502 N SER A 97 -2.120 -15.945 59.206 1.00 0.00 N ATOM 1503 CA SER A 97 -2.209 -17.399 59.277 1.00 0.00 C ATOM 1504 C SER A 97 -3.264 -17.926 58.309 1.00 0.00 C ATOM 1505 O SER A 97 -4.464 -17.791 58.547 1.00 0.00 O ATOM 1506 CB SER A 97 -2.543 -17.841 60.703 1.00 0.00 C ATOM 1507 OG SER A 97 -1.388 -17.831 61.524 1.00 0.00 O ATOM 0 H SER A 97 -1.190 -15.590 58.984 1.00 0.00 H new ATOM 0 HA SER A 97 -1.241 -17.812 58.993 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.299 -17.178 61.125 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.972 -18.843 60.685 1.00 0.00 H new ATOM 0 HG SER A 97 -1.628 -18.116 62.430 1.00 0.00 H new ATOM 1513 N SER A 98 -2.806 -18.528 57.216 1.00 0.00 N ATOM 1514 CA SER A 98 -3.709 -19.073 56.209 1.00 0.00 C ATOM 1515 C SER A 98 -3.304 -20.494 55.827 1.00 0.00 C ATOM 1516 O SER A 98 -2.471 -20.698 54.944 1.00 0.00 O ATOM 1517 CB SER A 98 -3.718 -18.182 54.965 1.00 0.00 C ATOM 1518 OG SER A 98 -4.928 -18.327 54.242 1.00 0.00 O ATOM 0 H SER A 98 -1.816 -18.651 57.005 1.00 0.00 H new ATOM 0 HA SER A 98 -4.712 -19.101 56.634 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.589 -17.140 55.259 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.875 -18.439 54.324 1.00 0.00 H new ATOM 0 HG SER A 98 -4.909 -17.746 53.453 1.00 0.00 H new ATOM 1524 N GLY A 99 -3.899 -21.473 56.500 1.00 0.00 N ATOM 1525 CA GLY A 99 -3.588 -22.863 56.219 1.00 0.00 C ATOM 1526 C GLY A 99 -4.826 -23.686 55.923 1.00 0.00 C ATOM 1527 O GLY A 99 -5.279 -24.422 56.798 1.00 0.00 O ATOM 0 H GLY A 99 -4.591 -21.329 57.235 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.909 -22.915 55.368 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.064 -23.294 57.072 1.00 0.00 H new TER 1531 GLY A 99 HETATM 1532 ZN ZN A 401 -1.147 0.274 39.953 1.00 0.00 ZN