USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 626 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 65 HIS HE2 : A 65 HIS NE2 : A 82 ZNZN :(H bumps) USER MOD Set 1.1: A 54 GLN : amide:sc= -4.69! C(o=-6.8!,f=-17!) USER MOD Set 1.2: A 56 THR OG1 : rot -172:sc= -2.08! USER MOD Set 2.1: A 16 SER OG : rot 180:sc= 0.42 USER MOD Set 2.2: A 17 HIS : no HD1:sc= -1.01 K(o=-0.59,f=-3.7!) 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 THR OG1 : rot -110:sc= -1.7 USER MOD Single : A 8 CYS SG : rot -12:sc= -4.23! USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -29.2! C(o=-29!,f=-23!) USER MOD Single : A 15 ASN : amide:sc= -0.741 K(o=-0.74,f=-7!) USER MOD Single : A 20 LYS NZ :NH3+ 176:sc= -0.0903 (180deg=-0.1) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0272 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -151:sc= -0.106 (180deg=-0.6) USER MOD Single : A 40 ASN : amide:sc= -1.87! C(o=-1.9!,f=-7.1!) USER MOD Single : A 42 SER OG : rot 170:sc= -0.779 USER MOD Single : A 47 SER OG : rot 180:sc= -0.643 USER MOD Single : A 49 CYS SG : rot 180:sc=-0.00509 USER MOD Single : A 51 SER OG : rot -55:sc= 0.013 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -12.6! C(o=-13!,f=-16!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -2.11 K(o=-2.1,f=-10!) USER MOD Single : A 71 LYS NZ :NH3+ 165:sc= 1.54 (180deg=1.43) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.983 USER MOD Single : A 79 THR OG1 : rot 180:sc= -2.77! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.201 18.593 -0.078 1.00 0.00 N ATOM 2 CA GLY A 1 6.982 17.635 -0.910 1.00 0.00 C ATOM 3 C GLY A 1 6.105 16.590 -1.571 1.00 0.00 C ATOM 4 O GLY A 1 5.458 16.863 -2.581 1.00 0.00 O ATOM 0 H1 GLY A 1 6.846 19.286 0.351 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.509 19.088 -0.676 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.701 18.074 0.672 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.527 18.185 -1.677 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.725 17.139 -0.286 1.00 0.00 H new ATOM 10 N SER A 2 6.080 15.390 -0.997 1.00 0.00 N ATOM 11 CA SER A 2 5.274 14.301 -1.538 1.00 0.00 C ATOM 12 C SER A 2 5.038 13.218 -0.486 1.00 0.00 C ATOM 13 O SER A 2 5.321 12.043 -0.718 1.00 0.00 O ATOM 14 CB SER A 2 5.956 13.699 -2.768 1.00 0.00 C ATOM 15 OG SER A 2 5.007 13.103 -3.638 1.00 0.00 O ATOM 0 H SER A 2 6.608 15.148 -0.159 1.00 0.00 H new ATOM 0 HA SER A 2 4.306 14.709 -1.831 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.504 14.476 -3.300 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.685 12.952 -2.454 1.00 0.00 H new ATOM 0 HG SER A 2 5.468 12.727 -4.417 1.00 0.00 H new ATOM 21 N PRO A 3 4.512 13.602 0.692 1.00 0.00 N ATOM 22 CA PRO A 3 4.239 12.659 1.779 1.00 0.00 C ATOM 23 C PRO A 3 2.960 11.855 1.549 1.00 0.00 C ATOM 24 O PRO A 3 2.059 11.847 2.387 1.00 0.00 O ATOM 25 CB PRO A 3 4.089 13.572 2.996 1.00 0.00 C ATOM 26 CG PRO A 3 3.577 14.858 2.443 1.00 0.00 C ATOM 27 CD PRO A 3 4.146 14.986 1.054 1.00 0.00 C ATOM 0 HA PRO A 3 5.024 11.910 1.880 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.396 13.150 3.724 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.042 13.712 3.506 1.00 0.00 H new ATOM 0 HG2 PRO A 3 2.487 14.862 2.417 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.884 15.698 3.067 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.415 15.401 0.360 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.013 15.646 1.037 1.00 0.00 H new ATOM 35 N GLY A 4 2.890 11.181 0.405 1.00 0.00 N ATOM 36 CA GLY A 4 1.722 10.381 0.076 1.00 0.00 C ATOM 37 C GLY A 4 2.068 9.250 -0.886 1.00 0.00 C ATOM 38 O GLY A 4 3.228 9.116 -1.277 1.00 0.00 O ATOM 0 H GLY A 4 3.624 11.174 -0.303 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.296 9.965 0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.958 11.018 -0.370 1.00 0.00 H new ATOM 42 N PHE A 5 1.078 8.442 -1.301 1.00 0.00 N ATOM 43 CA PHE A 5 1.342 7.354 -2.239 1.00 0.00 C ATOM 44 C PHE A 5 0.068 6.542 -2.498 1.00 0.00 C ATOM 45 O PHE A 5 -0.868 6.584 -1.694 1.00 0.00 O ATOM 46 CB PHE A 5 2.444 6.431 -1.757 1.00 0.00 C ATOM 47 CG PHE A 5 2.690 6.486 -0.273 1.00 0.00 C ATOM 48 CD1 PHE A 5 1.727 6.056 0.621 1.00 0.00 C ATOM 49 CD2 PHE A 5 3.887 6.981 0.223 1.00 0.00 C ATOM 50 CE1 PHE A 5 1.954 6.117 1.983 1.00 0.00 C ATOM 51 CE2 PHE A 5 4.118 7.043 1.582 1.00 0.00 C ATOM 52 CZ PHE A 5 3.150 6.610 2.463 1.00 0.00 C ATOM 0 H PHE A 5 0.106 8.524 -1.004 1.00 0.00 H new ATOM 0 HA PHE A 5 1.677 7.816 -3.168 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.192 5.407 -2.035 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.368 6.684 -2.277 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.789 5.669 0.252 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.648 7.322 -0.463 1.00 0.00 H new ATOM 0 HE1 PHE A 5 1.195 5.778 2.672 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.055 7.430 1.955 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.328 6.657 3.527 1.00 0.00 H new ATOM 62 N THR A 6 -0.002 5.855 -3.649 1.00 0.00 N ATOM 63 CA THR A 6 -1.201 5.128 -4.032 1.00 0.00 C ATOM 64 C THR A 6 -1.597 4.061 -3.049 1.00 0.00 C ATOM 65 O THR A 6 -2.647 3.454 -3.218 1.00 0.00 O ATOM 66 CB THR A 6 -1.019 4.498 -5.420 1.00 0.00 C ATOM 67 OG1 THR A 6 0.316 4.649 -5.874 1.00 0.00 O ATOM 68 CG2 THR A 6 -1.933 5.088 -6.476 1.00 0.00 C ATOM 0 H THR A 6 0.761 5.794 -4.323 1.00 0.00 H new ATOM 0 HA THR A 6 -2.007 5.862 -4.047 1.00 0.00 H new ATOM 0 HB THR A 6 -1.274 3.446 -5.289 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.338 5.287 -6.618 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.750 4.596 -7.431 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.972 4.937 -6.183 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.735 6.155 -6.574 1.00 0.00 H new ATOM 76 N CYS A 7 -0.769 3.776 -2.052 1.00 0.00 N ATOM 77 CA CYS A 7 -1.099 2.709 -1.115 1.00 0.00 C ATOM 78 C CYS A 7 -1.664 1.535 -1.890 1.00 0.00 C ATOM 79 O CYS A 7 -2.440 0.754 -1.361 1.00 0.00 O ATOM 80 CB CYS A 7 -2.143 3.137 -0.081 1.00 0.00 C ATOM 81 SG CYS A 7 -3.563 4.050 -0.755 1.00 0.00 S ATOM 0 H CYS A 7 0.114 4.254 -1.873 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.183 2.447 -0.586 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.512 2.248 0.430 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -1.655 3.758 0.671 1.00 0.00 H new ATOM 86 N CYS A 8 -1.313 1.446 -3.170 1.00 0.00 N ATOM 87 CA CYS A 8 -1.833 0.398 -4.005 1.00 0.00 C ATOM 88 C CYS A 8 -3.329 0.634 -4.186 1.00 0.00 C ATOM 89 O CYS A 8 -4.159 -0.243 -3.955 1.00 0.00 O ATOM 90 CB CYS A 8 -1.438 -0.944 -3.356 1.00 0.00 C ATOM 91 SG CYS A 8 -2.590 -2.312 -3.525 1.00 0.00 S ATOM 0 H CYS A 8 -0.674 2.089 -3.638 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.419 0.382 -5.013 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.482 -1.254 -3.778 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.276 -0.769 -2.292 1.00 0.00 H new ATOM 0 HG CYS A 8 -3.723 -1.871 -3.984 1.00 0.00 H new ATOM 97 N VAL A 9 -3.666 1.880 -4.582 1.00 0.00 N ATOM 98 CA VAL A 9 -5.062 2.255 -4.757 1.00 0.00 C ATOM 99 C VAL A 9 -5.462 2.555 -6.195 1.00 0.00 C ATOM 100 O VAL A 9 -5.354 3.687 -6.665 1.00 0.00 O ATOM 101 CB VAL A 9 -5.416 3.532 -3.941 1.00 0.00 C ATOM 102 CG1 VAL A 9 -4.507 4.692 -4.323 1.00 0.00 C ATOM 103 CG2 VAL A 9 -6.886 3.927 -4.154 1.00 0.00 C ATOM 0 H VAL A 9 -2.995 2.622 -4.780 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.604 1.375 -4.410 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.264 3.303 -2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.775 5.572 -3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.470 4.424 -4.120 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.624 4.912 -5.384 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.110 4.822 -3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.059 4.127 -5.211 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.533 3.112 -3.828 1.00 0.00 H new ATOM 113 N PRO A 10 -6.056 1.568 -6.857 1.00 0.00 N ATOM 114 CA PRO A 10 -6.624 1.740 -8.186 1.00 0.00 C ATOM 115 C PRO A 10 -8.021 2.351 -8.027 1.00 0.00 C ATOM 116 O PRO A 10 -8.662 2.773 -8.990 1.00 0.00 O ATOM 117 CB PRO A 10 -6.730 0.307 -8.686 1.00 0.00 C ATOM 118 CG PRO A 10 -7.038 -0.470 -7.450 1.00 0.00 C ATOM 119 CD PRO A 10 -6.285 0.214 -6.333 1.00 0.00 C ATOM 0 HA PRO A 10 -6.050 2.382 -8.854 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.516 0.200 -9.434 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.801 -0.027 -9.149 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.110 -0.478 -7.251 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.725 -1.509 -7.553 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.865 0.233 -5.410 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.347 -0.295 -6.110 1.00 0.00 H new ATOM 127 N GLY A 11 -8.467 2.366 -6.762 1.00 0.00 N ATOM 128 CA GLY A 11 -9.764 2.883 -6.367 1.00 0.00 C ATOM 129 C GLY A 11 -10.058 2.484 -4.927 1.00 0.00 C ATOM 130 O GLY A 11 -10.673 1.447 -4.679 1.00 0.00 O ATOM 0 H GLY A 11 -7.919 2.010 -5.979 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.779 3.969 -6.464 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.538 2.493 -7.028 1.00 0.00 H new ATOM 134 N CYS A 12 -9.579 3.290 -3.976 1.00 0.00 N ATOM 135 CA CYS A 12 -9.752 2.999 -2.552 1.00 0.00 C ATOM 136 C CYS A 12 -10.305 4.213 -1.806 1.00 0.00 C ATOM 137 O CYS A 12 -11.138 4.947 -2.339 1.00 0.00 O ATOM 138 CB CYS A 12 -8.418 2.531 -1.920 1.00 0.00 C ATOM 139 SG CYS A 12 -7.262 3.862 -1.477 1.00 0.00 S ATOM 0 H CYS A 12 -9.067 4.151 -4.168 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.476 2.189 -2.462 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.642 1.953 -1.023 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.921 1.857 -2.618 1.00 0.00 H new ATOM 144 N TYR A 13 -9.865 4.408 -0.562 1.00 0.00 N ATOM 145 CA TYR A 13 -10.348 5.506 0.237 1.00 0.00 C ATOM 146 C TYR A 13 -9.402 6.705 0.241 1.00 0.00 C ATOM 147 O TYR A 13 -9.757 7.808 0.655 1.00 0.00 O ATOM 148 CB TYR A 13 -10.607 5.047 1.675 1.00 0.00 C ATOM 149 CG TYR A 13 -12.071 5.064 2.060 1.00 0.00 C ATOM 150 CD1 TYR A 13 -12.980 4.210 1.449 1.00 0.00 C ATOM 151 CD2 TYR A 13 -12.544 5.936 3.034 1.00 0.00 C ATOM 152 CE1 TYR A 13 -14.319 4.223 1.797 1.00 0.00 C ATOM 153 CE2 TYR A 13 -13.879 5.956 3.388 1.00 0.00 C ATOM 154 CZ TYR A 13 -14.764 5.098 2.766 1.00 0.00 C ATOM 155 OH TYR A 13 -16.095 5.115 3.115 1.00 0.00 O ATOM 0 H TYR A 13 -9.177 3.815 -0.098 1.00 0.00 H new ATOM 0 HA TYR A 13 -11.280 5.834 -0.223 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -10.218 4.037 1.801 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -10.052 5.690 2.359 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -12.636 3.524 0.689 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -11.856 6.610 3.522 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -15.012 3.551 1.312 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -14.229 6.639 4.148 1.00 0.00 H new ATOM 0 HH TYR A 13 -16.242 5.787 3.813 1.00 0.00 H new ATOM 165 N ASN A 14 -8.176 6.414 -0.105 1.00 0.00 N ATOM 166 CA ASN A 14 -7.073 7.342 -0.051 1.00 0.00 C ATOM 167 C ASN A 14 -6.318 7.459 -1.394 1.00 0.00 C ATOM 168 O ASN A 14 -6.351 6.513 -2.180 1.00 0.00 O ATOM 169 CB ASN A 14 -6.173 6.860 1.065 1.00 0.00 C ATOM 170 CG ASN A 14 -6.962 6.201 2.209 1.00 0.00 C ATOM 171 OD1 ASN A 14 -6.793 6.548 3.373 1.00 0.00 O ATOM 172 ND2 ASN A 14 -7.809 5.214 1.883 1.00 0.00 N ATOM 0 H ASN A 14 -7.906 5.491 -0.445 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.436 8.352 0.141 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.453 6.146 0.665 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.603 7.702 1.458 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.333 4.730 2.612 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.929 4.947 0.906 1.00 0.00 H new ATOM 179 N ASN A 15 -5.637 8.598 -1.694 1.00 0.00 N ATOM 180 CA ASN A 15 -4.930 8.704 -2.969 1.00 0.00 C ATOM 181 C ASN A 15 -3.394 8.674 -2.739 1.00 0.00 C ATOM 182 O ASN A 15 -2.947 8.779 -1.596 1.00 0.00 O ATOM 183 CB ASN A 15 -5.327 9.986 -3.719 1.00 0.00 C ATOM 184 CG ASN A 15 -6.205 10.915 -2.897 1.00 0.00 C ATOM 185 OD1 ASN A 15 -5.935 11.164 -1.722 1.00 0.00 O ATOM 186 ND2 ASN A 15 -7.262 11.430 -3.514 1.00 0.00 N ATOM 0 H ASN A 15 -5.571 9.416 -1.089 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.214 7.849 -3.582 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.424 10.519 -4.016 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.853 9.715 -4.634 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.889 12.060 -3.013 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.447 11.196 -4.489 1.00 0.00 H new ATOM 193 N SER A 16 -2.585 8.485 -3.808 1.00 0.00 N ATOM 194 CA SER A 16 -1.150 8.394 -3.690 1.00 0.00 C ATOM 195 C SER A 16 -0.541 9.719 -3.234 1.00 0.00 C ATOM 196 O SER A 16 -0.651 10.081 -2.063 1.00 0.00 O ATOM 197 CB SER A 16 -0.516 7.879 -5.019 1.00 0.00 C ATOM 198 OG SER A 16 -0.683 8.816 -6.067 1.00 0.00 O ATOM 0 H SER A 16 -2.929 8.394 -4.764 1.00 0.00 H new ATOM 0 HA SER A 16 -0.919 7.663 -2.916 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.546 7.686 -4.867 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.975 6.931 -5.300 1.00 0.00 H new ATOM 0 HG SER A 16 -0.274 8.467 -6.886 1.00 0.00 H new ATOM 204 N HIS A 17 0.101 10.441 -4.143 1.00 0.00 N ATOM 205 CA HIS A 17 0.720 11.710 -3.793 1.00 0.00 C ATOM 206 C HIS A 17 -0.239 12.883 -4.001 1.00 0.00 C ATOM 207 O HIS A 17 0.130 13.889 -4.609 1.00 0.00 O ATOM 208 CB HIS A 17 1.992 11.921 -4.617 1.00 0.00 C ATOM 209 CG HIS A 17 1.739 12.053 -6.087 1.00 0.00 C ATOM 210 ND1 HIS A 17 0.489 11.895 -6.652 1.00 0.00 N ATOM 211 CD2 HIS A 17 2.578 12.333 -7.111 1.00 0.00 C ATOM 212 CE1 HIS A 17 0.575 12.070 -7.959 1.00 0.00 C ATOM 213 NE2 HIS A 17 1.830 12.338 -8.262 1.00 0.00 N ATOM 0 H HIS A 17 0.206 10.171 -5.121 1.00 0.00 H new ATOM 0 HA HIS A 17 0.976 11.672 -2.734 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.500 12.818 -4.262 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.668 11.083 -4.447 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.639 12.518 -7.037 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.244 12.005 -8.660 1.00 0.00 H new ATOM 0 HE2 HIS A 17 2.187 12.520 -9.200 1.00 0.00 H new ATOM 222 N ARG A 18 -1.466 12.766 -3.488 1.00 0.00 N ATOM 223 CA ARG A 18 -2.437 13.846 -3.633 1.00 0.00 C ATOM 224 C ARG A 18 -3.168 14.163 -2.320 1.00 0.00 C ATOM 225 O ARG A 18 -4.001 15.069 -2.286 1.00 0.00 O ATOM 226 CB ARG A 18 -3.430 13.561 -4.780 1.00 0.00 C ATOM 227 CG ARG A 18 -2.757 13.510 -6.135 1.00 0.00 C ATOM 228 CD ARG A 18 -2.618 14.899 -6.740 1.00 0.00 C ATOM 229 NE ARG A 18 -1.584 15.686 -6.071 1.00 0.00 N ATOM 230 CZ ARG A 18 -1.523 17.015 -6.104 1.00 0.00 C ATOM 231 NH1 ARG A 18 -2.433 17.713 -6.773 1.00 0.00 N ATOM 232 NH2 ARG A 18 -0.549 17.649 -5.466 1.00 0.00 N ATOM 0 H ARG A 18 -1.804 11.950 -2.978 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.872 14.740 -3.896 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.933 12.612 -4.593 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.199 14.333 -4.790 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.772 13.055 -6.036 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.336 12.876 -6.806 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.378 14.811 -7.800 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.572 15.421 -6.672 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.866 15.186 -5.547 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.185 17.231 -7.266 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.380 18.731 -6.794 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.153 17.118 -4.950 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.502 18.668 -5.491 1.00 0.00 H new ATOM 246 N ASP A 19 -2.863 13.438 -1.232 1.00 0.00 N ATOM 247 CA ASP A 19 -3.521 13.708 0.051 1.00 0.00 C ATOM 248 C ASP A 19 -2.541 13.885 1.217 1.00 0.00 C ATOM 249 O ASP A 19 -2.383 14.992 1.732 1.00 0.00 O ATOM 250 CB ASP A 19 -4.560 12.630 0.351 1.00 0.00 C ATOM 251 CG ASP A 19 -4.612 12.249 1.819 1.00 0.00 C ATOM 252 OD1 ASP A 19 -3.828 11.371 2.231 1.00 0.00 O ATOM 253 OD2 ASP A 19 -5.438 12.832 2.554 1.00 0.00 O ATOM 0 H ASP A 19 -2.182 12.679 -1.215 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.026 14.669 -0.051 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.543 12.983 0.038 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.336 11.743 -0.241 1.00 0.00 H new ATOM 258 N LYS A 20 -1.913 12.804 1.651 1.00 0.00 N ATOM 259 CA LYS A 20 -0.983 12.861 2.778 1.00 0.00 C ATOM 260 C LYS A 20 -1.734 13.114 4.096 1.00 0.00 C ATOM 261 O LYS A 20 -1.358 13.993 4.874 1.00 0.00 O ATOM 262 CB LYS A 20 0.065 13.962 2.561 1.00 0.00 C ATOM 263 CG LYS A 20 0.511 14.116 1.113 1.00 0.00 C ATOM 264 CD LYS A 20 0.443 15.567 0.662 1.00 0.00 C ATOM 265 CE LYS A 20 0.828 15.712 -0.802 1.00 0.00 C ATOM 266 NZ LYS A 20 -0.246 15.221 -1.710 1.00 0.00 N ATOM 0 H LYS A 20 -2.027 11.876 1.244 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.478 11.897 2.841 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.343 14.911 2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.937 13.746 3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.531 13.747 1.004 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.120 13.503 0.469 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.566 15.950 0.814 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.109 16.172 1.277 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.037 16.759 -1.020 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.746 15.157 -0.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.026 15.399 -2.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.382 14.200 -1.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.134 15.721 -1.500 1.00 0.00 H new ATOM 280 N ALA A 21 -2.795 12.339 4.341 1.00 0.00 N ATOM 281 CA ALA A 21 -3.593 12.497 5.578 1.00 0.00 C ATOM 282 C ALA A 21 -4.391 11.228 6.019 1.00 0.00 C ATOM 283 O ALA A 21 -4.217 10.785 7.153 1.00 0.00 O ATOM 284 CB ALA A 21 -4.503 13.723 5.477 1.00 0.00 C ATOM 0 H ALA A 21 -3.124 11.604 3.715 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.864 12.648 6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.082 13.823 6.395 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.895 14.616 5.332 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.181 13.604 4.632 1.00 0.00 H new ATOM 290 N LEU A 22 -5.276 10.660 5.162 1.00 0.00 N ATOM 291 CA LEU A 22 -6.084 9.473 5.517 1.00 0.00 C ATOM 292 C LEU A 22 -5.218 8.367 6.228 1.00 0.00 C ATOM 293 O LEU A 22 -4.160 8.688 6.764 1.00 0.00 O ATOM 294 CB LEU A 22 -6.822 8.991 4.238 1.00 0.00 C ATOM 295 CG LEU A 22 -7.126 10.078 3.204 1.00 0.00 C ATOM 296 CD1 LEU A 22 -6.230 9.920 2.016 1.00 0.00 C ATOM 297 CD2 LEU A 22 -8.562 10.009 2.739 1.00 0.00 C ATOM 0 H LEU A 22 -5.446 11.008 4.219 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.839 9.729 6.261 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.219 8.219 3.761 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.761 8.524 4.535 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.955 11.043 3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.454 10.698 1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.190 10.006 2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.393 8.941 1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.745 10.794 2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.751 9.037 2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.227 10.146 3.591 1.00 0.00 H new ATOM 309 N HIS A 23 -5.671 7.086 6.323 1.00 0.00 N ATOM 310 CA HIS A 23 -4.927 6.068 7.069 1.00 0.00 C ATOM 311 C HIS A 23 -4.055 5.131 6.187 1.00 0.00 C ATOM 312 O HIS A 23 -4.570 4.574 5.231 1.00 0.00 O ATOM 313 CB HIS A 23 -5.972 5.193 7.771 1.00 0.00 C ATOM 314 CG HIS A 23 -5.801 5.122 9.255 1.00 0.00 C ATOM 315 ND1 HIS A 23 -5.701 6.241 10.054 1.00 0.00 N ATOM 316 CD2 HIS A 23 -5.714 4.058 10.089 1.00 0.00 C ATOM 317 CE1 HIS A 23 -5.557 5.869 11.314 1.00 0.00 C ATOM 318 NE2 HIS A 23 -5.563 4.550 11.362 1.00 0.00 N ATOM 0 H HIS A 23 -6.534 6.752 5.895 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.244 6.588 7.741 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.966 5.580 7.547 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.923 4.185 7.360 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.756 3.017 9.805 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.452 6.532 12.160 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.470 3.987 12.208 1.00 0.00 H new ATOM 327 N PHE A 24 -2.756 4.900 6.540 1.00 0.00 N ATOM 328 CA PHE A 24 -1.911 3.963 5.784 1.00 0.00 C ATOM 329 C PHE A 24 -1.228 2.935 6.786 1.00 0.00 C ATOM 330 O PHE A 24 -0.632 3.362 7.774 1.00 0.00 O ATOM 331 CB PHE A 24 -0.805 4.697 4.972 1.00 0.00 C ATOM 332 CG PHE A 24 -1.247 5.788 3.989 1.00 0.00 C ATOM 333 CD1 PHE A 24 -1.699 7.017 4.455 1.00 0.00 C ATOM 334 CD2 PHE A 24 -1.155 5.612 2.595 1.00 0.00 C ATOM 335 CE1 PHE A 24 -2.059 8.030 3.574 1.00 0.00 C ATOM 336 CE2 PHE A 24 -1.509 6.617 1.721 1.00 0.00 C ATOM 337 CZ PHE A 24 -1.963 7.827 2.198 1.00 0.00 C ATOM 0 H PHE A 24 -2.291 5.347 7.330 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.554 3.438 5.077 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.111 5.147 5.682 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.247 3.947 4.412 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.772 7.188 5.519 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.800 4.670 2.203 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.414 8.976 3.956 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.430 6.455 0.656 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.242 8.612 1.511 1.00 0.00 H new ATOM 347 N TYR A 25 -1.310 1.596 6.527 1.00 0.00 N ATOM 348 CA TYR A 25 -0.716 0.529 7.364 1.00 0.00 C ATOM 349 C TYR A 25 0.758 0.312 6.972 1.00 0.00 C ATOM 350 O TYR A 25 1.131 0.651 5.863 1.00 0.00 O ATOM 351 CB TYR A 25 -1.466 -0.803 7.164 1.00 0.00 C ATOM 352 CG TYR A 25 -2.905 -0.808 7.640 1.00 0.00 C ATOM 353 CD1 TYR A 25 -3.731 0.296 7.465 1.00 0.00 C ATOM 354 CD2 TYR A 25 -3.440 -1.932 8.258 1.00 0.00 C ATOM 355 CE1 TYR A 25 -5.046 0.279 7.894 1.00 0.00 C ATOM 356 CE2 TYR A 25 -4.753 -1.957 8.690 1.00 0.00 C ATOM 357 CZ TYR A 25 -5.551 -0.848 8.504 1.00 0.00 C ATOM 358 OH TYR A 25 -6.858 -0.868 8.931 1.00 0.00 O ATOM 0 H TYR A 25 -1.803 1.230 5.712 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.792 0.841 8.406 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.449 -1.056 6.104 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.923 -1.590 7.688 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.340 1.182 6.986 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.818 -2.803 8.404 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.674 1.146 7.751 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -5.151 -2.839 9.170 1.00 0.00 H new ATOM 0 HH TYR A 25 -7.056 -1.737 9.339 1.00 0.00 H new ATOM 368 N THR A 26 1.610 -0.242 7.856 1.00 0.00 N ATOM 369 CA THR A 26 3.030 -0.413 7.513 1.00 0.00 C ATOM 370 C THR A 26 3.369 -1.863 7.112 1.00 0.00 C ATOM 371 O THR A 26 2.489 -2.724 7.067 1.00 0.00 O ATOM 372 CB THR A 26 3.931 0.066 8.664 1.00 0.00 C ATOM 373 OG1 THR A 26 4.580 -1.028 9.292 1.00 0.00 O ATOM 374 CG2 THR A 26 3.187 0.831 9.740 1.00 0.00 C ATOM 0 H THR A 26 1.348 -0.569 8.786 1.00 0.00 H new ATOM 0 HA THR A 26 3.224 0.208 6.639 1.00 0.00 H new ATOM 0 HB THR A 26 4.650 0.737 8.194 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.148 -0.698 10.019 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.886 1.137 10.518 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.722 1.714 9.303 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.417 0.193 10.174 1.00 0.00 H new ATOM 382 N PHE A 27 4.620 -2.073 6.658 1.00 0.00 N ATOM 383 CA PHE A 27 5.034 -3.351 6.074 1.00 0.00 C ATOM 384 C PHE A 27 5.653 -4.448 6.966 1.00 0.00 C ATOM 385 O PHE A 27 6.360 -4.156 7.931 1.00 0.00 O ATOM 386 CB PHE A 27 6.074 -3.037 5.008 1.00 0.00 C ATOM 387 CG PHE A 27 5.489 -2.582 3.719 1.00 0.00 C ATOM 388 CD1 PHE A 27 4.431 -1.702 3.708 1.00 0.00 C ATOM 389 CD2 PHE A 27 5.992 -3.041 2.520 1.00 0.00 C ATOM 390 CE1 PHE A 27 3.878 -1.285 2.529 1.00 0.00 C ATOM 391 CE2 PHE A 27 5.452 -2.635 1.338 1.00 0.00 C ATOM 392 CZ PHE A 27 4.384 -1.753 1.330 1.00 0.00 C ATOM 0 H PHE A 27 5.358 -1.369 6.687 1.00 0.00 H new ATOM 0 HA PHE A 27 4.089 -3.785 5.748 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.746 -2.266 5.384 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.678 -3.926 4.829 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.032 -1.336 4.643 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.824 -3.730 2.519 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.049 -0.593 2.534 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.857 -3.001 0.406 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.950 -1.433 0.394 1.00 0.00 H new ATOM 402 N PRO A 28 5.425 -5.761 6.587 1.00 0.00 N ATOM 403 CA PRO A 28 5.998 -6.935 7.284 1.00 0.00 C ATOM 404 C PRO A 28 7.477 -6.727 7.655 1.00 0.00 C ATOM 405 O PRO A 28 8.076 -5.724 7.271 1.00 0.00 O ATOM 406 CB PRO A 28 5.924 -8.005 6.167 1.00 0.00 C ATOM 407 CG PRO A 28 4.654 -7.704 5.499 1.00 0.00 C ATOM 408 CD PRO A 28 4.558 -6.219 5.452 1.00 0.00 C ATOM 0 HA PRO A 28 5.482 -7.167 8.216 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.768 -7.930 5.481 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.934 -9.015 6.576 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.631 -8.129 4.495 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.814 -8.132 6.046 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.910 -5.827 4.498 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.529 -5.882 5.575 1.00 0.00 H new ATOM 416 N LYS A 29 8.070 -7.675 8.394 1.00 0.00 N ATOM 417 CA LYS A 29 9.473 -7.561 8.791 1.00 0.00 C ATOM 418 C LYS A 29 10.388 -8.182 7.736 1.00 0.00 C ATOM 419 O LYS A 29 11.589 -7.913 7.707 1.00 0.00 O ATOM 420 CB LYS A 29 9.721 -8.229 10.151 1.00 0.00 C ATOM 421 CG LYS A 29 8.453 -8.613 10.901 1.00 0.00 C ATOM 422 CD LYS A 29 8.764 -9.120 12.301 1.00 0.00 C ATOM 423 CE LYS A 29 7.886 -10.305 12.672 1.00 0.00 C ATOM 424 NZ LYS A 29 8.357 -11.567 12.038 1.00 0.00 N ATOM 0 H LYS A 29 7.603 -8.519 8.724 1.00 0.00 H new ATOM 0 HA LYS A 29 9.703 -6.499 8.879 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.324 -9.124 9.998 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.307 -7.552 10.774 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.791 -7.749 10.965 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.919 -9.383 10.344 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.813 -9.411 12.359 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.615 -8.316 13.022 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.877 -10.425 13.755 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.859 -10.106 12.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.731 -12.350 12.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.341 -11.463 11.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.328 -11.771 12.351 1.00 0.00 H new ATOM 438 N ASP A 30 9.812 -9.008 6.871 1.00 0.00 N ATOM 439 CA ASP A 30 10.578 -9.665 5.811 1.00 0.00 C ATOM 440 C ASP A 30 10.738 -8.716 4.616 1.00 0.00 C ATOM 441 O ASP A 30 9.751 -8.339 3.985 1.00 0.00 O ATOM 442 CB ASP A 30 9.877 -10.971 5.365 1.00 0.00 C ATOM 443 CG ASP A 30 8.581 -11.247 6.109 1.00 0.00 C ATOM 444 OD1 ASP A 30 8.648 -11.717 7.263 1.00 0.00 O ATOM 445 OD2 ASP A 30 7.502 -10.987 5.535 1.00 0.00 O ATOM 0 H ASP A 30 8.819 -9.241 6.880 1.00 0.00 H new ATOM 0 HA ASP A 30 11.565 -9.918 6.199 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.669 -10.916 4.297 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.558 -11.809 5.514 1.00 0.00 H new ATOM 450 N ALA A 31 11.981 -8.305 4.325 1.00 0.00 N ATOM 451 CA ALA A 31 12.247 -7.380 3.231 1.00 0.00 C ATOM 452 C ALA A 31 11.460 -7.723 1.929 1.00 0.00 C ATOM 453 O ALA A 31 10.591 -6.958 1.522 1.00 0.00 O ATOM 454 CB ALA A 31 13.762 -7.267 3.008 1.00 0.00 C ATOM 0 H ALA A 31 12.812 -8.602 4.836 1.00 0.00 H new ATOM 0 HA ALA A 31 11.871 -6.398 3.519 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.959 -6.575 2.189 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.237 -6.898 3.917 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.167 -8.248 2.759 1.00 0.00 H new ATOM 460 N GLU A 32 11.738 -8.855 1.268 1.00 0.00 N ATOM 461 CA GLU A 32 11.028 -9.202 0.018 1.00 0.00 C ATOM 462 C GLU A 32 9.533 -9.121 0.138 1.00 0.00 C ATOM 463 O GLU A 32 8.939 -8.298 -0.555 1.00 0.00 O ATOM 464 CB GLU A 32 11.479 -10.575 -0.506 1.00 0.00 C ATOM 465 CG GLU A 32 10.599 -11.160 -1.605 1.00 0.00 C ATOM 466 CD GLU A 32 9.346 -11.821 -1.067 1.00 0.00 C ATOM 467 OE1 GLU A 32 9.376 -12.303 0.086 1.00 0.00 O ATOM 468 OE2 GLU A 32 8.334 -11.858 -1.797 1.00 0.00 O ATOM 0 H GLU A 32 12.435 -9.538 1.566 1.00 0.00 H new ATOM 0 HA GLU A 32 11.306 -8.444 -0.714 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.498 -10.487 -0.884 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.508 -11.275 0.329 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.317 -10.367 -2.298 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.174 -11.891 -2.174 1.00 0.00 H new ATOM 475 N LEU A 33 8.882 -9.922 0.979 1.00 0.00 N ATOM 476 CA LEU A 33 7.448 -9.791 1.060 1.00 0.00 C ATOM 477 C LEU A 33 7.071 -8.314 0.939 1.00 0.00 C ATOM 478 O LEU A 33 6.121 -7.931 0.260 1.00 0.00 O ATOM 479 CB LEU A 33 6.935 -10.344 2.396 1.00 0.00 C ATOM 480 CG LEU A 33 5.450 -10.691 2.438 1.00 0.00 C ATOM 481 CD1 LEU A 33 4.763 -10.415 1.109 1.00 0.00 C ATOM 482 CD2 LEU A 33 5.272 -12.138 2.814 1.00 0.00 C ATOM 0 H LEU A 33 9.305 -10.629 1.580 1.00 0.00 H new ATOM 0 HA LEU A 33 6.992 -10.359 0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.506 -11.239 2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.141 -9.611 3.176 1.00 0.00 H new ATOM 0 HG LEU A 33 4.984 -10.054 3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.707 -10.676 1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.858 -9.357 0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.230 -11.013 0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.209 -12.379 2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.768 -12.769 2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.710 -12.315 3.796 1.00 0.00 H new ATOM 494 N ARG A 34 7.898 -7.492 1.555 1.00 0.00 N ATOM 495 CA ARG A 34 7.713 -6.047 1.547 1.00 0.00 C ATOM 496 C ARG A 34 7.690 -5.526 0.134 1.00 0.00 C ATOM 497 O ARG A 34 6.693 -4.943 -0.306 1.00 0.00 O ATOM 498 CB ARG A 34 8.789 -5.342 2.422 1.00 0.00 C ATOM 499 CG ARG A 34 9.842 -4.520 1.680 1.00 0.00 C ATOM 500 CD ARG A 34 9.435 -3.062 1.556 1.00 0.00 C ATOM 501 NE ARG A 34 10.505 -2.158 1.971 1.00 0.00 N ATOM 502 CZ ARG A 34 11.675 -2.055 1.341 1.00 0.00 C ATOM 503 NH1 ARG A 34 11.932 -2.802 0.274 1.00 0.00 N ATOM 504 NH2 ARG A 34 12.591 -1.204 1.783 1.00 0.00 N ATOM 0 H ARG A 34 8.718 -7.803 2.076 1.00 0.00 H new ATOM 0 HA ARG A 34 6.746 -5.815 1.993 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.279 -4.686 3.127 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.303 -6.103 3.010 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.794 -4.588 2.207 1.00 0.00 H new ATOM 0 HG3 ARG A 34 9.997 -4.940 0.686 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.161 -2.849 0.523 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.550 -2.880 2.165 1.00 0.00 H new ATOM 0 HE ARG A 34 10.347 -1.572 2.791 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.232 -3.460 -0.069 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.830 -2.718 -0.203 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.400 -0.630 2.604 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.487 -1.124 1.302 1.00 0.00 H new ATOM 518 N ARG A 35 8.764 -5.773 -0.592 1.00 0.00 N ATOM 519 CA ARG A 35 8.835 -5.327 -1.957 1.00 0.00 C ATOM 520 C ARG A 35 7.632 -5.828 -2.708 1.00 0.00 C ATOM 521 O ARG A 35 7.099 -5.127 -3.565 1.00 0.00 O ATOM 522 CB ARG A 35 10.144 -5.738 -2.654 1.00 0.00 C ATOM 523 CG ARG A 35 10.425 -7.231 -2.683 1.00 0.00 C ATOM 524 CD ARG A 35 9.557 -7.972 -3.691 1.00 0.00 C ATOM 525 NE ARG A 35 9.533 -7.312 -4.997 1.00 0.00 N ATOM 526 CZ ARG A 35 9.803 -7.922 -6.149 1.00 0.00 C ATOM 527 NH1 ARG A 35 10.116 -9.213 -6.179 1.00 0.00 N ATOM 528 NH2 ARG A 35 9.759 -7.236 -7.284 1.00 0.00 N ATOM 0 H ARG A 35 9.587 -6.275 -0.258 1.00 0.00 H new ATOM 0 HA ARG A 35 8.833 -4.237 -1.954 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.121 -5.370 -3.680 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.974 -5.239 -2.155 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.475 -7.394 -2.924 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.258 -7.648 -1.690 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.929 -8.990 -3.808 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.540 -8.046 -3.306 1.00 0.00 H new ATOM 0 HE ARG A 35 9.294 -6.321 -5.026 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.152 -9.749 -5.312 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.321 -9.668 -7.069 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.519 -6.245 -7.272 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.965 -7.700 -8.169 1.00 0.00 H new ATOM 542 N LEU A 36 7.148 -7.018 -2.355 1.00 0.00 N ATOM 543 CA LEU A 36 5.956 -7.516 -3.062 1.00 0.00 C ATOM 544 C LEU A 36 4.855 -6.485 -2.995 1.00 0.00 C ATOM 545 O LEU A 36 4.295 -6.089 -4.026 1.00 0.00 O ATOM 546 CB LEU A 36 5.486 -8.876 -2.525 1.00 0.00 C ATOM 547 CG LEU A 36 6.255 -10.081 -3.064 1.00 0.00 C ATOM 548 CD1 LEU A 36 5.728 -11.369 -2.453 1.00 0.00 C ATOM 549 CD2 LEU A 36 6.167 -10.134 -4.582 1.00 0.00 C ATOM 0 H LEU A 36 7.529 -7.627 -1.631 1.00 0.00 H new ATOM 0 HA LEU A 36 6.226 -7.678 -4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.567 -8.869 -1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.430 -9.000 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 36 7.303 -9.973 -2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.288 -12.216 -2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.844 -11.332 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.673 -11.484 -2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.720 -10.999 -4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.123 -10.217 -4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.595 -9.224 -5.003 1.00 0.00 H new ATOM 561 N TRP A 37 4.592 -5.986 -1.805 1.00 0.00 N ATOM 562 CA TRP A 37 3.590 -4.969 -1.651 1.00 0.00 C ATOM 563 C TRP A 37 3.915 -3.785 -2.570 1.00 0.00 C ATOM 564 O TRP A 37 3.025 -3.273 -3.266 1.00 0.00 O ATOM 565 CB TRP A 37 3.536 -4.534 -0.189 1.00 0.00 C ATOM 566 CG TRP A 37 2.859 -5.536 0.696 1.00 0.00 C ATOM 567 CD1 TRP A 37 2.803 -6.888 0.510 1.00 0.00 C ATOM 568 CD2 TRP A 37 2.138 -5.266 1.899 1.00 0.00 C ATOM 569 NE1 TRP A 37 2.101 -7.476 1.538 1.00 0.00 N ATOM 570 CE2 TRP A 37 1.665 -6.496 2.395 1.00 0.00 C ATOM 571 CE3 TRP A 37 1.846 -4.100 2.604 1.00 0.00 C ATOM 572 CZ2 TRP A 37 0.909 -6.585 3.567 1.00 0.00 C ATOM 573 CZ3 TRP A 37 1.096 -4.199 3.765 1.00 0.00 C ATOM 574 CH2 TRP A 37 0.639 -5.418 4.229 1.00 0.00 C ATOM 0 H TRP A 37 5.056 -6.269 -0.942 1.00 0.00 H new ATOM 0 HA TRP A 37 2.612 -5.359 -1.932 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.551 -4.366 0.172 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.011 -3.582 -0.118 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.244 -7.418 -0.321 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.932 -8.476 1.645 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.196 -3.141 2.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.552 -7.536 3.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.863 -3.302 4.320 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.054 -5.450 5.136 1.00 0.00 H new ATOM 585 N LEU A 38 5.217 -3.388 -2.614 1.00 0.00 N ATOM 586 CA LEU A 38 5.662 -2.287 -3.467 1.00 0.00 C ATOM 587 C LEU A 38 4.917 -2.319 -4.808 1.00 0.00 C ATOM 588 O LEU A 38 4.363 -1.308 -5.257 1.00 0.00 O ATOM 589 CB LEU A 38 7.178 -2.393 -3.711 1.00 0.00 C ATOM 590 CG LEU A 38 8.070 -1.875 -2.576 1.00 0.00 C ATOM 591 CD1 LEU A 38 7.546 -2.285 -1.210 1.00 0.00 C ATOM 592 CD2 LEU A 38 9.509 -2.322 -2.777 1.00 0.00 C ATOM 0 H LEU A 38 5.961 -3.821 -2.066 1.00 0.00 H new ATOM 0 HA LEU A 38 5.444 -1.345 -2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.426 -3.438 -3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.421 -1.843 -4.620 1.00 0.00 H new ATOM 0 HG LEU A 38 8.046 -0.786 -2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.207 -1.897 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.544 -1.880 -1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.510 -3.372 -1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.125 -1.944 -1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.553 -3.411 -2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.882 -1.932 -3.724 1.00 0.00 H new ATOM 604 N LYS A 39 4.877 -3.499 -5.437 1.00 0.00 N ATOM 605 CA LYS A 39 4.224 -3.652 -6.711 1.00 0.00 C ATOM 606 C LYS A 39 2.777 -3.148 -6.715 1.00 0.00 C ATOM 607 O LYS A 39 2.386 -2.299 -7.540 1.00 0.00 O ATOM 608 CB LYS A 39 4.305 -5.152 -7.062 1.00 0.00 C ATOM 609 CG LYS A 39 5.443 -5.549 -7.994 1.00 0.00 C ATOM 610 CD LYS A 39 6.658 -4.633 -7.870 1.00 0.00 C ATOM 611 CE LYS A 39 6.838 -3.776 -9.111 1.00 0.00 C ATOM 612 NZ LYS A 39 7.039 -4.603 -10.333 1.00 0.00 N ATOM 0 H LYS A 39 5.295 -4.355 -5.071 1.00 0.00 H new ATOM 0 HA LYS A 39 4.725 -3.038 -7.459 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.403 -5.719 -6.136 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.362 -5.451 -7.521 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.743 -6.574 -7.777 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.085 -5.533 -9.024 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.543 -3.991 -6.997 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.553 -5.234 -7.709 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.963 -3.140 -9.243 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.694 -3.115 -8.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.619 -4.076 -11.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.523 -5.487 -10.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.116 -4.824 -10.759 1.00 0.00 H new ATOM 626 N ASN A 40 1.993 -3.684 -5.802 1.00 0.00 N ATOM 627 CA ASN A 40 0.577 -3.365 -5.708 1.00 0.00 C ATOM 628 C ASN A 40 0.264 -1.879 -5.678 1.00 0.00 C ATOM 629 O ASN A 40 -0.863 -1.490 -5.989 1.00 0.00 O ATOM 630 CB ASN A 40 -0.061 -4.012 -4.468 1.00 0.00 C ATOM 631 CG ASN A 40 0.711 -5.201 -3.916 1.00 0.00 C ATOM 632 OD1 ASN A 40 1.568 -5.773 -4.588 1.00 0.00 O ATOM 633 ND2 ASN A 40 0.402 -5.581 -2.682 1.00 0.00 N ATOM 0 H ASN A 40 2.316 -4.353 -5.103 1.00 0.00 H new ATOM 0 HA ASN A 40 0.152 -3.772 -6.626 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.153 -3.258 -3.686 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.071 -4.335 -4.720 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.882 -6.375 -2.258 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.315 -5.079 -2.158 1.00 0.00 H new ATOM 640 N VAL A 41 1.187 -1.047 -5.217 1.00 0.00 N ATOM 641 CA VAL A 41 0.853 0.366 -5.077 1.00 0.00 C ATOM 642 C VAL A 41 0.884 1.215 -6.333 1.00 0.00 C ATOM 643 O VAL A 41 0.159 2.206 -6.388 1.00 0.00 O ATOM 644 CB VAL A 41 1.605 1.056 -3.941 1.00 0.00 C ATOM 645 CG1 VAL A 41 3.042 0.645 -3.957 1.00 0.00 C ATOM 646 CG2 VAL A 41 1.426 2.564 -4.019 1.00 0.00 C ATOM 0 H VAL A 41 2.134 -1.308 -4.943 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.204 0.305 -4.820 1.00 0.00 H new ATOM 0 HB VAL A 41 1.188 0.741 -2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.571 1.141 -3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.113 -0.435 -3.830 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.491 0.929 -4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.969 3.038 -3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.813 2.928 -4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.367 2.809 -3.941 1.00 0.00 H new ATOM 656 N SER A 42 1.667 0.875 -7.347 1.00 0.00 N ATOM 657 CA SER A 42 1.660 1.737 -8.556 1.00 0.00 C ATOM 658 C SER A 42 2.951 1.579 -9.405 1.00 0.00 C ATOM 659 O SER A 42 3.014 0.649 -10.206 1.00 0.00 O ATOM 660 CB SER A 42 1.373 3.249 -8.205 1.00 0.00 C ATOM 661 OG SER A 42 2.011 4.114 -9.127 1.00 0.00 O ATOM 0 H SER A 42 2.285 0.064 -7.378 1.00 0.00 H new ATOM 0 HA SER A 42 0.833 1.389 -9.175 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.298 3.431 -8.214 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.724 3.465 -7.196 1.00 0.00 H new ATOM 0 HG SER A 42 1.692 5.031 -8.990 1.00 0.00 H new ATOM 667 N ARG A 43 3.979 2.467 -9.274 1.00 0.00 N ATOM 668 CA ARG A 43 5.187 2.332 -10.087 1.00 0.00 C ATOM 669 C ARG A 43 4.904 2.699 -11.543 1.00 0.00 C ATOM 670 O ARG A 43 5.475 3.651 -12.074 1.00 0.00 O ATOM 671 CB ARG A 43 5.748 0.909 -10.006 1.00 0.00 C ATOM 672 CG ARG A 43 5.911 0.402 -8.582 1.00 0.00 C ATOM 673 CD ARG A 43 7.353 0.510 -8.117 1.00 0.00 C ATOM 674 NE ARG A 43 8.222 -0.437 -8.813 1.00 0.00 N ATOM 675 CZ ARG A 43 9.546 -0.314 -8.887 1.00 0.00 C ATOM 676 NH1 ARG A 43 10.158 0.716 -8.315 1.00 0.00 N ATOM 677 NH2 ARG A 43 10.259 -1.223 -9.538 1.00 0.00 N ATOM 0 H ARG A 43 3.982 3.256 -8.628 1.00 0.00 H new ATOM 0 HA ARG A 43 5.932 3.021 -9.690 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.087 0.235 -10.550 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.716 0.879 -10.507 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.268 0.975 -7.914 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.585 -0.637 -8.524 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.714 1.525 -8.285 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.403 0.327 -7.044 1.00 0.00 H new ATOM 0 HE ARG A 43 7.789 -1.240 -9.269 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.614 1.419 -7.815 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.172 0.804 -8.375 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.793 -2.015 -9.981 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.273 -1.130 -9.596 1.00 0.00 H new ATOM 691 N ALA A 44 4.018 1.937 -12.183 1.00 0.00 N ATOM 692 CA ALA A 44 3.653 2.178 -13.578 1.00 0.00 C ATOM 693 C ALA A 44 2.974 3.554 -13.760 1.00 0.00 C ATOM 694 O ALA A 44 1.777 3.608 -14.045 1.00 0.00 O ATOM 695 CB ALA A 44 2.720 1.060 -14.059 1.00 0.00 C ATOM 0 H ALA A 44 3.538 1.145 -11.756 1.00 0.00 H new ATOM 0 HA ALA A 44 4.565 2.182 -14.175 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.446 1.237 -15.099 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.230 0.100 -13.976 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.820 1.047 -13.444 1.00 0.00 H new ATOM 701 N GLY A 45 3.714 4.676 -13.592 1.00 0.00 N ATOM 702 CA GLY A 45 3.100 5.983 -13.753 1.00 0.00 C ATOM 703 C GLY A 45 2.589 6.230 -15.157 1.00 0.00 C ATOM 704 O GLY A 45 1.815 7.160 -15.386 1.00 0.00 O ATOM 0 H GLY A 45 4.705 4.689 -13.353 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.273 6.078 -13.050 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.827 6.754 -13.496 1.00 0.00 H new ATOM 708 N VAL A 46 3.021 5.405 -16.104 1.00 0.00 N ATOM 709 CA VAL A 46 2.601 5.552 -17.493 1.00 0.00 C ATOM 710 C VAL A 46 3.007 6.913 -18.043 1.00 0.00 C ATOM 711 O VAL A 46 2.372 7.436 -18.959 1.00 0.00 O ATOM 712 CB VAL A 46 1.073 5.387 -17.663 1.00 0.00 C ATOM 713 CG1 VAL A 46 0.772 4.596 -18.920 1.00 0.00 C ATOM 714 CG2 VAL A 46 0.443 4.718 -16.450 1.00 0.00 C ATOM 0 H VAL A 46 3.661 4.629 -15.936 1.00 0.00 H new ATOM 0 HA VAL A 46 3.102 4.759 -18.049 1.00 0.00 H new ATOM 0 HB VAL A 46 0.636 6.382 -17.753 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.307 4.485 -19.031 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.173 5.122 -19.786 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.232 3.611 -18.849 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.631 4.619 -16.606 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.882 3.730 -16.310 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.626 5.325 -15.563 1.00 0.00 H new ATOM 724 N SER A 47 4.063 7.486 -17.476 1.00 0.00 N ATOM 725 CA SER A 47 4.543 8.791 -17.912 1.00 0.00 C ATOM 726 C SER A 47 5.841 9.170 -17.162 1.00 0.00 C ATOM 727 O SER A 47 6.876 9.358 -17.803 1.00 0.00 O ATOM 728 CB SER A 47 3.461 9.847 -17.665 1.00 0.00 C ATOM 729 OG SER A 47 3.603 10.445 -16.389 1.00 0.00 O ATOM 0 H SER A 47 4.601 7.069 -16.716 1.00 0.00 H new ATOM 0 HA SER A 47 4.764 8.747 -18.978 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.517 10.615 -18.436 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.476 9.387 -17.745 1.00 0.00 H new ATOM 0 HG SER A 47 2.900 11.115 -16.262 1.00 0.00 H new ATOM 735 N GLY A 48 5.810 9.289 -15.802 1.00 0.00 N ATOM 736 CA GLY A 48 7.021 9.642 -15.085 1.00 0.00 C ATOM 737 C GLY A 48 7.623 8.459 -14.353 1.00 0.00 C ATOM 738 O GLY A 48 6.965 7.833 -13.523 1.00 0.00 O ATOM 0 H GLY A 48 4.984 9.148 -15.221 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.752 10.042 -15.787 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.799 10.434 -14.370 1.00 0.00 H new ATOM 742 N CYS A 49 8.880 8.153 -14.662 1.00 0.00 N ATOM 743 CA CYS A 49 9.571 7.036 -14.029 1.00 0.00 C ATOM 744 C CYS A 49 10.978 7.446 -13.594 1.00 0.00 C ATOM 745 O CYS A 49 11.283 8.634 -13.495 1.00 0.00 O ATOM 746 CB CYS A 49 9.633 5.845 -14.990 1.00 0.00 C ATOM 747 SG CYS A 49 10.681 6.114 -16.439 1.00 0.00 S ATOM 0 H CYS A 49 9.439 8.663 -15.346 1.00 0.00 H new ATOM 0 HA CYS A 49 9.014 6.742 -13.140 1.00 0.00 H new ATOM 0 HB2 CYS A 49 10.000 4.974 -14.447 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.623 5.610 -15.325 1.00 0.00 H new ATOM 0 HG CYS A 49 10.669 5.051 -17.187 1.00 0.00 H new ATOM 753 N PHE A 50 11.832 6.457 -13.334 1.00 0.00 N ATOM 754 CA PHE A 50 13.206 6.716 -12.908 1.00 0.00 C ATOM 755 C PHE A 50 13.242 7.183 -11.442 1.00 0.00 C ATOM 756 O PHE A 50 13.827 6.507 -10.597 1.00 0.00 O ATOM 757 CB PHE A 50 13.858 7.771 -13.807 1.00 0.00 C ATOM 758 CG PHE A 50 15.293 7.475 -14.137 1.00 0.00 C ATOM 759 CD1 PHE A 50 15.625 6.396 -14.942 1.00 0.00 C ATOM 760 CD2 PHE A 50 16.309 8.277 -13.644 1.00 0.00 C ATOM 761 CE1 PHE A 50 16.945 6.123 -15.246 1.00 0.00 C ATOM 762 CE2 PHE A 50 17.631 8.009 -13.946 1.00 0.00 C ATOM 763 CZ PHE A 50 17.949 6.930 -14.749 1.00 0.00 C ATOM 0 H PHE A 50 11.596 5.468 -13.411 1.00 0.00 H new ATOM 0 HA PHE A 50 13.767 5.785 -12.993 1.00 0.00 H new ATOM 0 HB2 PHE A 50 13.289 7.849 -14.734 1.00 0.00 H new ATOM 0 HB3 PHE A 50 13.800 8.742 -13.315 1.00 0.00 H new ATOM 0 HD1 PHE A 50 14.844 5.762 -15.335 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.065 9.122 -13.016 1.00 0.00 H new ATOM 0 HE1 PHE A 50 17.191 5.278 -15.872 1.00 0.00 H new ATOM 0 HE2 PHE A 50 18.414 8.642 -13.555 1.00 0.00 H new ATOM 0 HZ PHE A 50 18.981 6.718 -14.987 1.00 0.00 H new ATOM 773 N SER A 51 12.616 8.341 -11.128 1.00 0.00 N ATOM 774 CA SER A 51 12.611 8.839 -9.759 1.00 0.00 C ATOM 775 C SER A 51 11.237 8.648 -9.121 1.00 0.00 C ATOM 776 O SER A 51 10.686 9.570 -8.518 1.00 0.00 O ATOM 777 CB SER A 51 13.003 10.318 -9.728 1.00 0.00 C ATOM 778 OG SER A 51 13.412 10.711 -8.430 1.00 0.00 O ATOM 0 H SER A 51 12.121 8.928 -11.799 1.00 0.00 H new ATOM 0 HA SER A 51 13.342 8.269 -9.186 1.00 0.00 H new ATOM 0 HB2 SER A 51 13.811 10.498 -10.437 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.158 10.928 -10.046 1.00 0.00 H new ATOM 0 HG SER A 51 12.705 10.497 -7.786 1.00 0.00 H new ATOM 784 N THR A 52 10.689 7.446 -9.262 1.00 0.00 N ATOM 785 CA THR A 52 9.378 7.130 -8.702 1.00 0.00 C ATOM 786 C THR A 52 9.405 7.253 -7.173 1.00 0.00 C ATOM 787 O THR A 52 10.450 7.554 -6.595 1.00 0.00 O ATOM 788 CB THR A 52 8.946 5.716 -9.123 1.00 0.00 C ATOM 789 OG1 THR A 52 9.445 4.749 -8.216 1.00 0.00 O ATOM 790 CG2 THR A 52 9.414 5.319 -10.517 1.00 0.00 C ATOM 0 H THR A 52 11.132 6.673 -9.759 1.00 0.00 H new ATOM 0 HA THR A 52 8.651 7.844 -9.091 1.00 0.00 H new ATOM 0 HB THR A 52 7.856 5.743 -9.122 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.158 3.856 -8.500 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.071 4.309 -10.742 1.00 0.00 H new ATOM 0 HG22 THR A 52 9.004 6.014 -11.250 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.503 5.350 -10.558 1.00 0.00 H new ATOM 798 N PHE A 53 8.263 7.023 -6.513 1.00 0.00 N ATOM 799 CA PHE A 53 8.190 7.117 -5.056 1.00 0.00 C ATOM 800 C PHE A 53 8.537 5.785 -4.398 1.00 0.00 C ATOM 801 O PHE A 53 7.893 5.388 -3.426 1.00 0.00 O ATOM 802 CB PHE A 53 6.784 7.542 -4.623 1.00 0.00 C ATOM 803 CG PHE A 53 5.684 6.812 -5.342 1.00 0.00 C ATOM 804 CD1 PHE A 53 5.569 5.425 -5.270 1.00 0.00 C ATOM 805 CD2 PHE A 53 4.763 7.517 -6.100 1.00 0.00 C ATOM 806 CE1 PHE A 53 4.555 4.769 -5.941 1.00 0.00 C ATOM 807 CE2 PHE A 53 3.749 6.863 -6.770 1.00 0.00 C ATOM 808 CZ PHE A 53 3.645 5.489 -6.691 1.00 0.00 C ATOM 0 H PHE A 53 7.384 6.772 -6.965 1.00 0.00 H new ATOM 0 HA PHE A 53 8.916 7.864 -4.736 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.678 7.376 -3.551 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.669 8.613 -4.793 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.278 4.858 -4.685 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.840 8.592 -6.167 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.474 3.694 -5.879 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.037 7.426 -7.356 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.852 4.977 -7.216 1.00 0.00 H new ATOM 818 N GLN A 54 9.551 5.100 -4.935 1.00 0.00 N ATOM 819 CA GLN A 54 9.986 3.799 -4.411 1.00 0.00 C ATOM 820 C GLN A 54 9.436 3.542 -3.003 1.00 0.00 C ATOM 821 O GLN A 54 9.764 4.269 -2.067 1.00 0.00 O ATOM 822 CB GLN A 54 11.515 3.729 -4.400 1.00 0.00 C ATOM 823 CG GLN A 54 12.072 2.316 -4.304 1.00 0.00 C ATOM 824 CD GLN A 54 13.580 2.290 -4.114 1.00 0.00 C ATOM 825 OE1 GLN A 54 14.114 1.434 -3.410 1.00 0.00 O ATOM 826 NE2 GLN A 54 14.278 3.227 -4.751 1.00 0.00 N ATOM 0 H GLN A 54 10.090 5.426 -5.737 1.00 0.00 H new ATOM 0 HA GLN A 54 9.589 3.024 -5.066 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.896 4.197 -5.308 1.00 0.00 H new ATOM 0 HB3 GLN A 54 11.889 4.313 -3.559 1.00 0.00 H new ATOM 0 HG2 GLN A 54 11.596 1.798 -3.471 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.815 1.766 -5.209 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.797 3.919 -5.325 1.00 0.00 H new ATOM 0 HE22 GLN A 54 15.294 3.253 -4.665 1.00 0.00 H new ATOM 835 N PRO A 55 8.572 2.518 -2.829 1.00 0.00 N ATOM 836 CA PRO A 55 7.971 2.206 -1.525 1.00 0.00 C ATOM 837 C PRO A 55 9.003 1.843 -0.463 1.00 0.00 C ATOM 838 O PRO A 55 8.693 1.825 0.728 1.00 0.00 O ATOM 839 CB PRO A 55 7.050 1.019 -1.819 1.00 0.00 C ATOM 840 CG PRO A 55 6.826 1.065 -3.294 1.00 0.00 C ATOM 841 CD PRO A 55 8.097 1.597 -3.877 1.00 0.00 C ATOM 0 HA PRO A 55 7.449 3.069 -1.112 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.510 0.078 -1.518 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.110 1.103 -1.274 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.599 0.074 -3.687 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.981 1.708 -3.542 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.816 0.802 -4.074 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.925 2.113 -4.822 1.00 0.00 H new ATOM 849 N THR A 56 10.232 1.576 -0.890 1.00 0.00 N ATOM 850 CA THR A 56 11.301 1.241 0.044 1.00 0.00 C ATOM 851 C THR A 56 11.414 2.324 1.132 1.00 0.00 C ATOM 852 O THR A 56 11.550 2.001 2.312 1.00 0.00 O ATOM 853 CB THR A 56 12.630 1.118 -0.700 1.00 0.00 C ATOM 854 OG1 THR A 56 12.883 2.282 -1.467 1.00 0.00 O ATOM 855 CG2 THR A 56 12.686 -0.070 -1.635 1.00 0.00 C ATOM 0 H THR A 56 10.512 1.585 -1.871 1.00 0.00 H new ATOM 0 HA THR A 56 11.066 0.286 0.515 1.00 0.00 H new ATOM 0 HB THR A 56 13.384 0.983 0.075 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.666 2.134 -2.038 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.656 -0.097 -2.131 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.543 -0.988 -1.065 1.00 0.00 H new ATOM 0 HG23 THR A 56 11.899 0.019 -2.384 1.00 0.00 H new ATOM 863 N THR A 57 11.362 3.621 0.737 1.00 0.00 N ATOM 864 CA THR A 57 11.465 4.713 1.702 1.00 0.00 C ATOM 865 C THR A 57 10.519 4.511 2.885 1.00 0.00 C ATOM 866 O THR A 57 10.947 4.534 4.039 1.00 0.00 O ATOM 867 CB THR A 57 11.167 6.050 1.021 1.00 0.00 C ATOM 868 OG1 THR A 57 11.013 7.078 1.984 1.00 0.00 O ATOM 869 CG2 THR A 57 9.915 6.027 0.170 1.00 0.00 C ATOM 0 H THR A 57 11.251 3.920 -0.232 1.00 0.00 H new ATOM 0 HA THR A 57 12.486 4.720 2.085 1.00 0.00 H new ATOM 0 HB THR A 57 12.022 6.239 0.372 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.824 7.926 1.530 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.765 7.007 -0.283 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.022 5.278 -0.614 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.056 5.780 0.793 1.00 0.00 H new ATOM 877 N GLY A 58 9.232 4.321 2.596 1.00 0.00 N ATOM 878 CA GLY A 58 8.267 4.131 3.661 1.00 0.00 C ATOM 879 C GLY A 58 6.825 4.105 3.174 1.00 0.00 C ATOM 880 O GLY A 58 6.005 4.891 3.644 1.00 0.00 O ATOM 0 H GLY A 58 8.846 4.296 1.652 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.485 3.196 4.176 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.381 4.932 4.392 1.00 0.00 H new ATOM 884 N HIS A 59 6.509 3.201 2.244 1.00 0.00 N ATOM 885 CA HIS A 59 5.147 3.080 1.720 1.00 0.00 C ATOM 886 C HIS A 59 4.318 2.160 2.642 1.00 0.00 C ATOM 887 O HIS A 59 4.872 1.332 3.365 1.00 0.00 O ATOM 888 CB HIS A 59 5.190 2.567 0.276 1.00 0.00 C ATOM 889 CG HIS A 59 5.035 3.620 -0.777 1.00 0.00 C ATOM 890 ND1 HIS A 59 5.740 4.805 -0.790 1.00 0.00 N ATOM 891 CD2 HIS A 59 4.253 3.634 -1.886 1.00 0.00 C ATOM 892 CE1 HIS A 59 5.400 5.505 -1.863 1.00 0.00 C ATOM 893 NE2 HIS A 59 4.504 4.810 -2.544 1.00 0.00 N ATOM 0 H HIS A 59 7.176 2.544 1.839 1.00 0.00 H new ATOM 0 HA HIS A 59 4.662 4.056 1.705 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.138 2.053 0.117 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.401 1.826 0.146 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.562 2.863 -2.193 1.00 0.00 H new ATOM 0 HE1 HIS A 59 5.788 6.476 -2.135 1.00 0.00 H new ATOM 0 HE2 HIS A 59 4.069 5.102 -3.419 1.00 0.00 H new ATOM 902 N ARG A 60 3.002 2.368 2.657 1.00 0.00 N ATOM 903 CA ARG A 60 2.075 1.630 3.542 1.00 0.00 C ATOM 904 C ARG A 60 0.754 1.283 2.779 1.00 0.00 C ATOM 905 O ARG A 60 0.555 1.774 1.669 1.00 0.00 O ATOM 906 CB ARG A 60 1.809 2.507 4.785 1.00 0.00 C ATOM 907 CG ARG A 60 2.103 3.984 4.583 1.00 0.00 C ATOM 908 CD ARG A 60 3.594 4.271 4.644 1.00 0.00 C ATOM 909 NE ARG A 60 3.914 5.306 5.626 1.00 0.00 N ATOM 910 CZ ARG A 60 3.993 5.087 6.937 1.00 0.00 C ATOM 911 NH1 ARG A 60 3.791 3.872 7.430 1.00 0.00 N ATOM 912 NH2 ARG A 60 4.281 6.088 7.759 1.00 0.00 N ATOM 0 H ARG A 60 2.539 3.052 2.059 1.00 0.00 H new ATOM 0 HA ARG A 60 2.512 0.683 3.857 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.766 2.393 5.079 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.415 2.138 5.612 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.709 4.305 3.619 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.588 4.566 5.348 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.129 3.355 4.895 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.943 4.585 3.660 1.00 0.00 H new ATOM 0 HE ARG A 60 4.087 6.252 5.287 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.573 3.097 6.803 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.853 3.713 8.436 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.442 7.024 7.386 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.342 5.922 8.764 1.00 0.00 H new ATOM 926 N LEU A 61 -0.151 0.445 3.355 1.00 0.00 N ATOM 927 CA LEU A 61 -1.429 0.087 2.665 1.00 0.00 C ATOM 928 C LEU A 61 -2.587 0.713 3.453 1.00 0.00 C ATOM 929 O LEU A 61 -2.378 1.157 4.544 1.00 0.00 O ATOM 930 CB LEU A 61 -1.698 -1.430 2.564 1.00 0.00 C ATOM 931 CG LEU A 61 -1.835 -2.045 1.155 1.00 0.00 C ATOM 932 CD1 LEU A 61 -1.420 -1.078 0.091 1.00 0.00 C ATOM 933 CD2 LEU A 61 -1.003 -3.310 1.006 1.00 0.00 C ATOM 0 H LEU A 61 -0.028 0.013 4.271 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.345 0.463 1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.889 -1.948 3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.614 -1.645 3.114 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.890 -2.291 1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.530 -1.545 -0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.049 -0.189 0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.379 -0.794 0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.128 -3.711 0.000 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.048 -3.076 1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.333 -4.050 1.735 1.00 0.00 H new ATOM 945 N CYS A 62 -3.769 0.900 2.874 1.00 0.00 N ATOM 946 CA CYS A 62 -4.797 1.652 3.593 1.00 0.00 C ATOM 947 C CYS A 62 -6.258 1.112 3.492 1.00 0.00 C ATOM 948 O CYS A 62 -6.537 0.097 2.867 1.00 0.00 O ATOM 949 CB CYS A 62 -4.687 3.069 3.070 1.00 0.00 C ATOM 950 SG CYS A 62 -6.043 3.537 2.006 1.00 0.00 S ATOM 0 H CYS A 62 -4.034 0.559 1.950 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.607 1.562 4.662 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.642 3.758 3.914 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.751 3.175 2.522 1.00 0.00 H new ATOM 955 N SER A 63 -7.163 1.835 4.179 1.00 0.00 N ATOM 956 CA SER A 63 -8.600 1.573 4.279 1.00 0.00 C ATOM 957 C SER A 63 -9.173 0.524 3.340 1.00 0.00 C ATOM 958 O SER A 63 -9.847 -0.403 3.791 1.00 0.00 O ATOM 959 CB SER A 63 -9.390 2.909 4.069 1.00 0.00 C ATOM 960 OG SER A 63 -9.868 3.415 5.303 1.00 0.00 O ATOM 0 H SER A 63 -6.889 2.663 4.707 1.00 0.00 H new ATOM 0 HA SER A 63 -8.722 1.156 5.279 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.743 3.647 3.595 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.228 2.738 3.393 1.00 0.00 H new ATOM 0 HG SER A 63 -10.356 4.250 5.147 1.00 0.00 H new ATOM 966 N VAL A 64 -9.018 0.722 2.052 1.00 0.00 N ATOM 967 CA VAL A 64 -9.664 -0.185 1.098 1.00 0.00 C ATOM 968 C VAL A 64 -8.764 -1.237 0.466 1.00 0.00 C ATOM 969 O VAL A 64 -8.941 -1.585 -0.702 1.00 0.00 O ATOM 970 CB VAL A 64 -10.395 0.603 -0.001 1.00 0.00 C ATOM 971 CG1 VAL A 64 -11.688 -0.085 -0.370 1.00 0.00 C ATOM 972 CG2 VAL A 64 -10.690 2.012 0.464 1.00 0.00 C ATOM 0 H VAL A 64 -8.470 1.476 1.637 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.372 -0.745 1.709 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.747 0.644 -0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.194 0.485 -1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.474 -1.089 -0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.330 -0.148 0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.208 2.555 -0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -11.320 1.977 1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.755 2.520 0.701 1.00 0.00 H new ATOM 982 N HIS A 65 -7.851 -1.796 1.243 1.00 0.00 N ATOM 983 CA HIS A 65 -6.999 -2.867 0.734 1.00 0.00 C ATOM 984 C HIS A 65 -7.024 -4.060 1.687 1.00 0.00 C ATOM 985 O HIS A 65 -5.996 -4.679 1.928 1.00 0.00 O ATOM 986 CB HIS A 65 -5.555 -2.394 0.518 1.00 0.00 C ATOM 987 CG HIS A 65 -5.446 -1.023 -0.044 1.00 0.00 C ATOM 988 ND1 HIS A 65 -4.831 -0.720 -1.241 1.00 0.00 N ATOM 989 CD2 HIS A 65 -5.866 0.135 0.447 1.00 0.00 C ATOM 990 CE1 HIS A 65 -4.883 0.565 -1.445 1.00 0.00 C ATOM 991 NE2 HIS A 65 -5.499 1.098 -0.439 1.00 0.00 N ATOM 0 H HIS A 65 -7.679 -1.534 2.214 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.396 -3.170 -0.235 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.026 -2.428 1.470 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -5.051 -3.091 -0.152 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -4.401 -1.398 -1.870 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.398 0.284 1.375 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.484 1.091 -2.300 1.00 0.00 H new ATOM 999 N PHE A 66 -8.192 -4.390 2.247 1.00 0.00 N ATOM 1000 CA PHE A 66 -8.263 -5.518 3.172 1.00 0.00 C ATOM 1001 C PHE A 66 -9.664 -6.180 3.179 1.00 0.00 C ATOM 1002 O PHE A 66 -10.637 -5.551 2.763 1.00 0.00 O ATOM 1003 CB PHE A 66 -7.929 -5.028 4.582 1.00 0.00 C ATOM 1004 CG PHE A 66 -6.465 -4.855 4.820 1.00 0.00 C ATOM 1005 CD1 PHE A 66 -5.613 -5.943 4.758 1.00 0.00 C ATOM 1006 CD2 PHE A 66 -5.941 -3.606 5.106 1.00 0.00 C ATOM 1007 CE1 PHE A 66 -4.262 -5.792 4.977 1.00 0.00 C ATOM 1008 CE2 PHE A 66 -4.591 -3.445 5.326 1.00 0.00 C ATOM 1009 CZ PHE A 66 -3.745 -4.546 5.263 1.00 0.00 C ATOM 0 H PHE A 66 -9.075 -3.907 2.081 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.545 -6.268 2.842 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.433 -4.077 4.757 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -8.326 -5.737 5.308 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.012 -6.922 4.535 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.597 -2.750 5.157 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.607 -6.649 4.925 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.191 -2.466 5.547 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.686 -4.426 5.438 1.00 0.00 H new ATOM 1019 N GLN A 67 -9.792 -7.433 3.694 1.00 0.00 N ATOM 1020 CA GLN A 67 -11.085 -8.092 3.778 1.00 0.00 C ATOM 1021 C GLN A 67 -11.526 -8.067 5.265 1.00 0.00 C ATOM 1022 O GLN A 67 -10.644 -8.121 6.116 1.00 0.00 O ATOM 1023 CB GLN A 67 -10.978 -9.545 3.301 1.00 0.00 C ATOM 1024 CG GLN A 67 -12.008 -9.921 2.249 1.00 0.00 C ATOM 1025 CD GLN A 67 -11.541 -9.615 0.841 1.00 0.00 C ATOM 1026 OE1 GLN A 67 -11.046 -8.523 0.565 1.00 0.00 O ATOM 1027 NE2 GLN A 67 -11.697 -10.581 -0.057 1.00 0.00 N ATOM 0 H GLN A 67 -9.012 -7.986 4.049 1.00 0.00 H new ATOM 0 HA GLN A 67 -11.809 -7.579 3.145 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.980 -9.712 2.896 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -11.089 -10.209 4.159 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -12.233 -10.984 2.330 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.935 -9.383 2.445 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.113 -11.471 0.218 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -11.401 -10.433 -1.022 1.00 0.00 H new ATOM 1036 N GLY A 68 -12.840 -8.001 5.617 1.00 0.00 N ATOM 1037 CA GLY A 68 -13.226 -7.986 7.030 1.00 0.00 C ATOM 1038 C GLY A 68 -12.280 -7.181 7.929 1.00 0.00 C ATOM 1039 O GLY A 68 -12.647 -6.099 8.392 1.00 0.00 O ATOM 0 H GLY A 68 -13.616 -7.959 4.956 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -14.231 -7.573 7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.270 -9.012 7.394 1.00 0.00 H new ATOM 1043 N GLY A 69 -11.062 -7.688 8.177 1.00 0.00 N ATOM 1044 CA GLY A 69 -10.114 -6.973 9.015 1.00 0.00 C ATOM 1045 C GLY A 69 -9.088 -7.890 9.661 1.00 0.00 C ATOM 1046 O GLY A 69 -9.426 -8.992 10.093 1.00 0.00 O ATOM 0 H GLY A 69 -10.723 -8.578 7.811 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.598 -6.224 8.414 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.657 -6.437 9.794 1.00 0.00 H new ATOM 1050 N ARG A 70 -7.831 -7.431 9.719 1.00 0.00 N ATOM 1051 CA ARG A 70 -6.730 -8.193 10.311 1.00 0.00 C ATOM 1052 C ARG A 70 -6.009 -9.034 9.259 1.00 0.00 C ATOM 1053 O ARG A 70 -4.855 -9.411 9.451 1.00 0.00 O ATOM 1054 CB ARG A 70 -7.208 -9.069 11.491 1.00 0.00 C ATOM 1055 CG ARG A 70 -7.340 -10.554 11.173 1.00 0.00 C ATOM 1056 CD ARG A 70 -8.248 -11.263 12.167 1.00 0.00 C ATOM 1057 NE ARG A 70 -9.619 -11.380 11.673 1.00 0.00 N ATOM 1058 CZ ARG A 70 -10.604 -10.545 12.000 1.00 0.00 C ATOM 1059 NH1 ARG A 70 -10.380 -9.519 12.813 1.00 0.00 N ATOM 1060 NH2 ARG A 70 -11.820 -10.734 11.506 1.00 0.00 N ATOM 0 H ARG A 70 -7.551 -6.520 9.356 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.017 -7.471 10.709 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.510 -8.950 12.320 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.174 -8.698 11.833 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.737 -10.677 10.165 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.354 -11.018 11.186 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.852 -12.257 12.374 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.248 -10.717 13.110 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.835 -12.149 11.038 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.446 -9.364 13.194 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -11.142 -8.886 13.057 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.999 -11.517 10.877 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.576 -10.096 11.755 1.00 0.00 H new ATOM 1074 N LYS A 71 -6.687 -9.315 8.145 1.00 0.00 N ATOM 1075 CA LYS A 71 -6.093 -10.103 7.066 1.00 0.00 C ATOM 1076 C LYS A 71 -5.437 -11.374 7.626 1.00 0.00 C ATOM 1077 O LYS A 71 -4.347 -11.329 8.196 1.00 0.00 O ATOM 1078 CB LYS A 71 -5.103 -9.217 6.275 1.00 0.00 C ATOM 1079 CG LYS A 71 -3.779 -9.872 5.869 1.00 0.00 C ATOM 1080 CD LYS A 71 -2.592 -8.923 6.031 1.00 0.00 C ATOM 1081 CE LYS A 71 -2.565 -8.251 7.401 1.00 0.00 C ATOM 1082 NZ LYS A 71 -2.433 -6.773 7.284 1.00 0.00 N ATOM 0 H LYS A 71 -7.644 -9.010 7.967 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.867 -10.436 6.374 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.603 -8.868 5.371 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.878 -8.335 6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.615 -10.763 6.475 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.841 -10.200 4.831 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.665 -9.477 5.883 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.634 -8.158 5.255 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.479 -8.493 7.944 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.733 -8.646 7.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.670 -6.330 8.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.455 -6.531 7.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.081 -6.424 6.550 1.00 0.00 H new ATOM 1096 N THR A 72 -6.122 -12.505 7.471 1.00 0.00 N ATOM 1097 CA THR A 72 -5.618 -13.784 7.968 1.00 0.00 C ATOM 1098 C THR A 72 -5.742 -14.869 6.903 1.00 0.00 C ATOM 1099 O THR A 72 -6.840 -15.166 6.431 1.00 0.00 O ATOM 1100 CB THR A 72 -6.377 -14.201 9.230 1.00 0.00 C ATOM 1101 OG1 THR A 72 -5.805 -15.366 9.795 1.00 0.00 O ATOM 1102 CG2 THR A 72 -7.843 -14.483 8.983 1.00 0.00 C ATOM 0 H THR A 72 -7.028 -12.562 7.005 1.00 0.00 H new ATOM 0 HA THR A 72 -4.563 -13.660 8.212 1.00 0.00 H new ATOM 0 HB THR A 72 -6.298 -13.352 9.908 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.302 -15.616 10.602 1.00 0.00 H new ATOM 0 HG21 THR A 72 -8.320 -14.773 9.919 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.325 -13.587 8.592 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.941 -15.292 8.260 1.00 0.00 H new ATOM 1110 N TYR A 73 -4.609 -15.455 6.525 1.00 0.00 N ATOM 1111 CA TYR A 73 -4.585 -16.502 5.505 1.00 0.00 C ATOM 1112 C TYR A 73 -5.281 -16.008 4.229 1.00 0.00 C ATOM 1113 O TYR A 73 -5.806 -14.900 4.219 1.00 0.00 O ATOM 1114 CB TYR A 73 -5.257 -17.773 6.029 1.00 0.00 C ATOM 1115 CG TYR A 73 -4.685 -19.048 5.453 1.00 0.00 C ATOM 1116 CD1 TYR A 73 -3.362 -19.402 5.680 1.00 0.00 C ATOM 1117 CD2 TYR A 73 -5.470 -19.899 4.684 1.00 0.00 C ATOM 1118 CE1 TYR A 73 -2.835 -20.568 5.155 1.00 0.00 C ATOM 1119 CE2 TYR A 73 -4.951 -21.066 4.156 1.00 0.00 C ATOM 1120 CZ TYR A 73 -3.634 -21.396 4.395 1.00 0.00 C ATOM 1121 OH TYR A 73 -3.112 -22.557 3.873 1.00 0.00 O ATOM 0 H TYR A 73 -3.693 -15.223 6.910 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.548 -16.739 5.267 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.163 -17.801 7.115 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.322 -17.729 5.803 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.734 -18.756 6.276 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.503 -19.644 4.496 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.803 -20.829 5.339 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.574 -21.716 3.559 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.805 -23.027 3.364 1.00 0.00 H new ATOM 1131 N THR A 74 -5.292 -16.821 3.160 1.00 0.00 N ATOM 1132 CA THR A 74 -5.928 -16.429 1.895 1.00 0.00 C ATOM 1133 C THR A 74 -5.451 -15.046 1.431 1.00 0.00 C ATOM 1134 O THR A 74 -4.808 -14.926 0.389 1.00 0.00 O ATOM 1135 CB THR A 74 -7.457 -16.460 2.016 1.00 0.00 C ATOM 1136 OG1 THR A 74 -7.861 -16.351 3.369 1.00 0.00 O ATOM 1137 CG2 THR A 74 -8.076 -17.724 1.449 1.00 0.00 C ATOM 0 H THR A 74 -4.869 -17.749 3.148 1.00 0.00 H new ATOM 0 HA THR A 74 -5.628 -17.156 1.140 1.00 0.00 H new ATOM 0 HB THR A 74 -7.808 -15.608 1.434 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.839 -16.371 3.421 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.159 -17.683 1.566 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.828 -17.808 0.391 1.00 0.00 H new ATOM 0 HG23 THR A 74 -7.686 -18.591 1.982 1.00 0.00 H new ATOM 1145 N VAL A 75 -5.755 -14.007 2.210 1.00 0.00 N ATOM 1146 CA VAL A 75 -5.346 -12.652 1.878 1.00 0.00 C ATOM 1147 C VAL A 75 -3.890 -12.427 2.309 1.00 0.00 C ATOM 1148 O VAL A 75 -3.629 -12.054 3.452 1.00 0.00 O ATOM 1149 CB VAL A 75 -6.294 -11.657 2.625 1.00 0.00 C ATOM 1150 CG1 VAL A 75 -6.163 -11.835 4.132 1.00 0.00 C ATOM 1151 CG2 VAL A 75 -6.080 -10.187 2.244 1.00 0.00 C ATOM 0 H VAL A 75 -6.286 -14.084 3.078 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.413 -12.489 0.802 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.305 -11.907 2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.828 -11.137 4.640 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.433 -12.856 4.403 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.134 -11.640 4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.775 -9.561 2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.057 -9.895 2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.256 -10.059 1.176 1.00 0.00 H new ATOM 1161 N ARG A 76 -2.934 -12.643 1.392 1.00 0.00 N ATOM 1162 CA ARG A 76 -1.528 -12.443 1.721 1.00 0.00 C ATOM 1163 C ARG A 76 -1.138 -10.990 1.476 1.00 0.00 C ATOM 1164 O ARG A 76 -0.743 -10.278 2.399 1.00 0.00 O ATOM 1165 CB ARG A 76 -0.649 -13.395 0.904 1.00 0.00 C ATOM 1166 CG ARG A 76 -0.152 -14.590 1.699 1.00 0.00 C ATOM 1167 CD ARG A 76 0.948 -15.336 0.960 1.00 0.00 C ATOM 1168 NE ARG A 76 0.429 -16.470 0.200 1.00 0.00 N ATOM 1169 CZ ARG A 76 1.176 -17.497 -0.201 1.00 0.00 C ATOM 1170 NH1 ARG A 76 2.474 -17.532 0.076 1.00 0.00 N ATOM 1171 NH2 ARG A 76 0.624 -18.492 -0.883 1.00 0.00 N ATOM 0 H ARG A 76 -3.111 -12.950 0.436 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.373 -12.666 2.777 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.215 -13.751 0.043 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.208 -12.844 0.517 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.222 -14.254 2.666 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.983 -15.268 1.896 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.459 -14.651 0.284 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.690 -15.689 1.676 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.563 -16.476 -0.037 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.905 -16.769 0.599 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.041 -18.322 -0.234 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.372 -18.470 -1.100 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.196 -19.279 -1.190 1.00 0.00 H new ATOM 1185 N VAL A 77 -1.286 -10.544 0.232 1.00 0.00 N ATOM 1186 CA VAL A 77 -0.987 -9.163 -0.127 1.00 0.00 C ATOM 1187 C VAL A 77 -2.311 -8.417 -0.311 1.00 0.00 C ATOM 1188 O VAL A 77 -3.181 -8.889 -1.040 1.00 0.00 O ATOM 1189 CB VAL A 77 -0.115 -9.101 -1.420 1.00 0.00 C ATOM 1190 CG1 VAL A 77 0.943 -10.193 -1.401 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -0.964 -9.222 -2.672 1.00 0.00 C ATOM 0 H VAL A 77 -1.611 -11.120 -0.544 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.409 -8.688 0.666 1.00 0.00 H new ATOM 0 HB VAL A 77 0.376 -8.128 -1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.542 -10.135 -2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.588 -10.060 -0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.459 -11.168 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.323 -9.175 -3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.495 -10.174 -2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.684 -8.405 -2.703 1.00 0.00 H new ATOM 1201 N PRO A 78 -2.515 -7.269 0.369 1.00 0.00 N ATOM 1202 CA PRO A 78 -3.778 -6.518 0.277 1.00 0.00 C ATOM 1203 C PRO A 78 -4.160 -6.047 -1.079 1.00 0.00 C ATOM 1204 O PRO A 78 -4.348 -4.842 -1.264 1.00 0.00 O ATOM 1205 CB PRO A 78 -3.525 -5.298 1.148 1.00 0.00 C ATOM 1206 CG PRO A 78 -2.531 -5.765 2.135 1.00 0.00 C ATOM 1207 CD PRO A 78 -1.586 -6.596 1.323 1.00 0.00 C ATOM 0 HA PRO A 78 -4.599 -7.170 0.574 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -3.144 -4.461 0.562 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.440 -4.957 1.633 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.020 -4.930 2.614 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -2.998 -6.349 2.928 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.843 -5.986 0.809 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.040 -7.313 1.937 1.00 0.00 H new ATOM 1215 N THR A 79 -4.393 -6.938 -2.028 1.00 0.00 N ATOM 1216 CA THR A 79 -4.873 -6.395 -3.247 1.00 0.00 C ATOM 1217 C THR A 79 -6.265 -6.905 -3.535 1.00 0.00 C ATOM 1218 O THR A 79 -6.464 -8.028 -3.999 1.00 0.00 O ATOM 1219 CB THR A 79 -3.924 -6.792 -4.393 1.00 0.00 C ATOM 1220 OG1 THR A 79 -3.099 -7.875 -4.001 1.00 0.00 O ATOM 1221 CG2 THR A 79 -3.014 -5.673 -4.839 1.00 0.00 C ATOM 0 H THR A 79 -4.267 -7.949 -1.976 1.00 0.00 H new ATOM 0 HA THR A 79 -4.910 -5.309 -3.163 1.00 0.00 H new ATOM 0 HB THR A 79 -4.576 -7.061 -5.224 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.503 -8.116 -4.740 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.374 -6.025 -5.648 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.614 -4.834 -5.190 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.395 -5.351 -4.001 1.00 0.00 H new ATOM 1229 N ILE A 80 -7.206 -5.988 -3.376 1.00 0.00 N ATOM 1230 CA ILE A 80 -8.593 -6.225 -3.741 1.00 0.00 C ATOM 1231 C ILE A 80 -9.002 -5.132 -4.712 1.00 0.00 C ATOM 1232 O ILE A 80 -9.397 -4.063 -4.265 1.00 0.00 O ATOM 1233 CB ILE A 80 -9.524 -6.193 -2.507 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -9.198 -7.357 -1.566 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -10.988 -6.229 -2.934 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -9.891 -8.654 -1.929 1.00 0.00 C ATOM 0 H ILE A 80 -7.030 -5.060 -2.991 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.683 -7.214 -4.189 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.356 -5.260 -1.969 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.120 -7.520 -1.566 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.478 -7.079 -0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.625 -6.206 -2.050 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.205 -5.364 -3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.181 -7.143 -3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.609 -9.429 -1.216 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.971 -8.510 -1.900 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.592 -8.958 -2.932 1.00 0.00 H new ATOM 1248 N PHE A 81 -8.948 -5.367 -6.014 1.00 0.00 N ATOM 1249 CA PHE A 81 -9.331 -4.321 -6.962 1.00 0.00 C ATOM 1250 C PHE A 81 -9.507 -4.908 -8.358 1.00 0.00 C ATOM 1251 O PHE A 81 -8.663 -5.734 -8.762 1.00 0.00 O ATOM 1252 CB PHE A 81 -8.288 -3.161 -7.010 1.00 0.00 C ATOM 1253 CG PHE A 81 -7.338 -3.052 -5.821 1.00 0.00 C ATOM 1254 CD1 PHE A 81 -7.793 -2.638 -4.576 1.00 0.00 C ATOM 1255 CD2 PHE A 81 -5.995 -3.388 -5.953 1.00 0.00 C ATOM 1256 CE1 PHE A 81 -6.943 -2.583 -3.483 1.00 0.00 C ATOM 1257 CE2 PHE A 81 -5.131 -3.313 -4.867 1.00 0.00 C ATOM 1258 CZ PHE A 81 -5.613 -2.918 -3.621 1.00 0.00 C ATOM 1259 OXT PHE A 81 -10.491 -4.539 -9.035 1.00 0.00 O ATOM 0 H PHE A 81 -8.651 -6.247 -6.435 1.00 0.00 H new ATOM 0 HA PHE A 81 -10.278 -3.906 -6.615 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -7.691 -3.276 -7.915 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -8.829 -2.219 -7.102 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -8.828 -2.354 -4.457 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.618 -3.712 -6.912 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -7.324 -2.277 -2.520 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -4.087 -3.561 -4.989 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.950 -2.875 -2.770 1.00 0.00 H new TER 1269 PHE A 81 HETATM 1270 ZN ZN A 82 -5.560 3.045 -0.178 1.00 0.00 ZN