USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 677 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 25 HIS HE2 : A 25 HIS NE2 : A 601 ZNZN :(H bumps) USER MOD NoAdj-H: A 65 HIS HE2 : A 65 HIS NE2 : A 602 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 602 ZNZN :(H bumps) USER MOD Set 1.1: A 32 TYR OH : rot 100:sc= 0.0539 USER MOD Set 1.2: A 36 THR OG1 : rot 154:sc= 0.346 USER MOD Set 1.3: A 63 LYS NZ :NH3+ -151:sc= 0.969 (180deg=0.642) USER MOD Set 2.1: A 22 HIS : no HD1:sc= -0.583 K(o=-2.8,f=-4.5) USER MOD Set 2.2: A 69 MET CE :methyl 140:sc= -2.25 (180deg=-3.46!) USER MOD Single : A 1 GLU N :NH3+ 148:sc= -0.467 (180deg=-1.53!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 135:sc= -0.254 (180deg=-1.22!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 1:sc= 0.0203 USER MOD Single : A 18 ASN : amide:sc= -0.256 X(o=-0.26,f=-0.04) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 29:sc= 0.0783 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.354 USER MOD Single : A 33 HIS : no HD1:sc= -2.03 K(o=-2,f=-2.6!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.0122 X(o=-0.012,f=-0.046) USER MOD Single : A 48 MET CE :methyl 135:sc= -0.979 (180deg=-2.18!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.46) USER MOD Single : A 64 CYS SG : rot -22:sc= -0.0315 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 23.838 12.607 -0.850 1.00 0.00 N ATOM 2 CA GLU A 1 22.983 12.387 0.348 1.00 0.00 C ATOM 3 C GLU A 1 21.673 13.164 0.245 1.00 0.00 C ATOM 4 O GLU A 1 20.592 12.596 0.396 1.00 0.00 O ATOM 5 CB GLU A 1 23.759 12.816 1.597 1.00 0.00 C ATOM 6 CG GLU A 1 24.418 14.182 1.474 1.00 0.00 C ATOM 7 CD GLU A 1 25.716 14.275 2.252 1.00 0.00 C ATOM 8 OE1 GLU A 1 25.677 14.138 3.492 1.00 0.00 O ATOM 9 OE2 GLU A 1 26.772 14.484 1.619 1.00 0.00 O ATOM 0 H1 GLU A 1 24.840 12.563 -0.574 1.00 0.00 H new ATOM 0 H2 GLU A 1 23.641 11.870 -1.557 1.00 0.00 H new ATOM 0 H3 GLU A 1 23.632 13.542 -1.257 1.00 0.00 H new ATOM 0 HA GLU A 1 22.731 11.328 0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 1 23.079 12.827 2.449 1.00 0.00 H new ATOM 0 HB3 GLU A 1 24.526 12.071 1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 1 24.613 14.394 0.423 1.00 0.00 H new ATOM 0 HG3 GLU A 1 23.729 14.947 1.831 1.00 0.00 H new ATOM 18 N SER A 2 21.775 14.464 -0.012 1.00 0.00 N ATOM 19 CA SER A 2 20.597 15.314 -0.133 1.00 0.00 C ATOM 20 C SER A 2 19.793 15.319 1.163 1.00 0.00 C ATOM 21 O SER A 2 18.985 14.423 1.408 1.00 0.00 O ATOM 22 CB SER A 2 19.716 14.837 -1.291 1.00 0.00 C ATOM 23 OG SER A 2 20.048 15.508 -2.493 1.00 0.00 O ATOM 0 H SER A 2 22.662 14.952 -0.140 1.00 0.00 H new ATOM 0 HA SER A 2 20.933 16.331 -0.334 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.837 13.762 -1.425 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.667 15.012 -1.051 1.00 0.00 H new ATOM 0 HG SER A 2 19.473 15.185 -3.218 1.00 0.00 H new ATOM 29 N LYS A 3 20.021 16.334 1.990 1.00 0.00 N ATOM 30 CA LYS A 3 19.318 16.455 3.263 1.00 0.00 C ATOM 31 C LYS A 3 19.596 15.252 4.154 1.00 0.00 C ATOM 32 O LYS A 3 20.198 14.269 3.719 1.00 0.00 O ATOM 33 CB LYS A 3 17.814 16.592 3.026 1.00 0.00 C ATOM 34 CG LYS A 3 17.102 17.415 4.089 1.00 0.00 C ATOM 35 CD LYS A 3 16.147 18.423 3.469 1.00 0.00 C ATOM 36 CE LYS A 3 16.129 19.728 4.251 1.00 0.00 C ATOM 37 NZ LYS A 3 14.929 19.835 5.126 1.00 0.00 N ATOM 0 H LYS A 3 20.686 17.084 1.802 1.00 0.00 H new ATOM 0 HA LYS A 3 19.683 17.349 3.768 1.00 0.00 H new ATOM 0 HB2 LYS A 3 17.649 17.052 2.052 1.00 0.00 H new ATOM 0 HB3 LYS A 3 17.368 15.598 2.989 1.00 0.00 H new ATOM 0 HG2 LYS A 3 16.550 16.751 4.755 1.00 0.00 H new ATOM 0 HG3 LYS A 3 17.838 17.938 4.699 1.00 0.00 H new ATOM 0 HD2 LYS A 3 16.442 18.619 2.438 1.00 0.00 H new ATOM 0 HD3 LYS A 3 15.142 18.002 3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 3 17.030 19.798 4.860 1.00 0.00 H new ATOM 0 HE3 LYS A 3 16.148 20.568 3.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 14.955 20.738 5.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 14.069 19.794 4.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 14.924 19.048 5.806 1.00 0.00 H new ATOM 51 N LYS A 4 19.157 15.333 5.406 1.00 0.00 N ATOM 52 CA LYS A 4 19.361 14.250 6.360 1.00 0.00 C ATOM 53 C LYS A 4 18.400 14.374 7.539 1.00 0.00 C ATOM 54 O LYS A 4 18.599 15.201 8.429 1.00 0.00 O ATOM 55 CB LYS A 4 20.806 14.248 6.863 1.00 0.00 C ATOM 56 CG LYS A 4 21.368 12.854 7.094 1.00 0.00 C ATOM 57 CD LYS A 4 20.747 12.201 8.317 1.00 0.00 C ATOM 58 CE LYS A 4 21.710 11.229 8.978 1.00 0.00 C ATOM 59 NZ LYS A 4 23.002 11.881 9.329 1.00 0.00 N ATOM 0 H LYS A 4 18.657 16.138 5.783 1.00 0.00 H new ATOM 0 HA LYS A 4 19.161 13.308 5.849 1.00 0.00 H new ATOM 0 HB2 LYS A 4 21.434 14.769 6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.858 14.811 7.795 1.00 0.00 H new ATOM 0 HG2 LYS A 4 21.183 12.235 6.216 1.00 0.00 H new ATOM 0 HG3 LYS A 4 22.449 12.912 7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 4 20.456 12.970 9.033 1.00 0.00 H new ATOM 0 HD3 LYS A 4 19.838 11.674 8.027 1.00 0.00 H new ATOM 0 HE2 LYS A 4 21.253 10.821 9.879 1.00 0.00 H new ATOM 0 HE3 LYS A 4 21.897 10.390 8.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 23.280 11.604 10.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 23.736 11.581 8.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 22.893 12.914 9.284 1.00 0.00 H new ATOM 73 N GLU A 5 17.359 13.548 7.537 1.00 0.00 N ATOM 74 CA GLU A 5 16.370 13.567 8.608 1.00 0.00 C ATOM 75 C GLU A 5 16.845 12.742 9.803 1.00 0.00 C ATOM 76 O GLU A 5 17.230 11.582 9.648 1.00 0.00 O ATOM 77 CB GLU A 5 15.032 13.023 8.102 1.00 0.00 C ATOM 78 CG GLU A 5 14.300 13.975 7.169 1.00 0.00 C ATOM 79 CD GLU A 5 13.145 13.309 6.447 1.00 0.00 C ATOM 80 OE1 GLU A 5 13.281 12.123 6.077 1.00 0.00 O ATOM 81 OE2 GLU A 5 12.106 13.972 6.251 1.00 0.00 O ATOM 0 H GLU A 5 17.179 12.859 6.807 1.00 0.00 H new ATOM 0 HA GLU A 5 16.239 14.600 8.930 1.00 0.00 H new ATOM 0 HB2 GLU A 5 15.206 12.081 7.582 1.00 0.00 H new ATOM 0 HB3 GLU A 5 14.393 12.802 8.957 1.00 0.00 H new ATOM 0 HG2 GLU A 5 13.925 14.823 7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 5 15.002 14.371 6.436 1.00 0.00 H new ATOM 88 N PRO A 6 16.828 13.327 11.016 1.00 0.00 N ATOM 89 CA PRO A 6 17.263 12.629 12.231 1.00 0.00 C ATOM 90 C PRO A 6 16.494 11.329 12.453 1.00 0.00 C ATOM 91 O PRO A 6 15.326 11.219 12.082 1.00 0.00 O ATOM 92 CB PRO A 6 16.955 13.626 13.352 1.00 0.00 C ATOM 93 CG PRO A 6 16.913 14.956 12.684 1.00 0.00 C ATOM 94 CD PRO A 6 16.386 14.704 11.300 1.00 0.00 C ATOM 0 HA PRO A 6 18.313 12.340 12.179 1.00 0.00 H new ATOM 0 HB2 PRO A 6 16.005 13.396 13.834 1.00 0.00 H new ATOM 0 HB3 PRO A 6 17.721 13.598 14.127 1.00 0.00 H new ATOM 0 HG2 PRO A 6 16.268 15.646 13.228 1.00 0.00 H new ATOM 0 HG3 PRO A 6 17.905 15.407 12.648 1.00 0.00 H new ATOM 0 HD2 PRO A 6 15.301 14.795 11.260 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.792 15.414 10.579 1.00 0.00 H new ATOM 102 N GLU A 7 17.160 10.348 13.055 1.00 0.00 N ATOM 103 CA GLU A 7 16.544 9.056 13.324 1.00 0.00 C ATOM 104 C GLU A 7 16.182 8.349 12.025 1.00 0.00 C ATOM 105 O GLU A 7 15.559 8.933 11.140 1.00 0.00 O ATOM 106 CB GLU A 7 15.295 9.225 14.194 1.00 0.00 C ATOM 107 CG GLU A 7 15.605 9.629 15.628 1.00 0.00 C ATOM 108 CD GLU A 7 15.288 8.532 16.625 1.00 0.00 C ATOM 109 OE1 GLU A 7 14.120 8.088 16.669 1.00 0.00 O ATOM 110 OE2 GLU A 7 16.205 8.116 17.363 1.00 0.00 O ATOM 0 H GLU A 7 18.128 10.425 13.366 1.00 0.00 H new ATOM 0 HA GLU A 7 17.267 8.444 13.863 1.00 0.00 H new ATOM 0 HB2 GLU A 7 14.648 9.978 13.744 1.00 0.00 H new ATOM 0 HB3 GLU A 7 14.737 8.289 14.201 1.00 0.00 H new ATOM 0 HG2 GLU A 7 16.660 9.893 15.707 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.033 10.522 15.882 1.00 0.00 H new ATOM 117 N PHE A 8 16.589 7.091 11.920 1.00 0.00 N ATOM 118 CA PHE A 8 16.316 6.293 10.728 1.00 0.00 C ATOM 119 C PHE A 8 15.156 5.327 10.973 1.00 0.00 C ATOM 120 O PHE A 8 15.370 4.152 11.270 1.00 0.00 O ATOM 121 CB PHE A 8 17.564 5.509 10.317 1.00 0.00 C ATOM 122 CG PHE A 8 18.617 6.357 9.660 1.00 0.00 C ATOM 123 CD1 PHE A 8 19.216 7.398 10.349 1.00 0.00 C ATOM 124 CD2 PHE A 8 19.006 6.109 8.353 1.00 0.00 C ATOM 125 CE1 PHE A 8 20.187 8.177 9.747 1.00 0.00 C ATOM 126 CE2 PHE A 8 19.976 6.885 7.746 1.00 0.00 C ATOM 127 CZ PHE A 8 20.567 7.920 8.444 1.00 0.00 C ATOM 0 H PHE A 8 17.110 6.599 12.646 1.00 0.00 H new ATOM 0 HA PHE A 8 16.038 6.973 9.923 1.00 0.00 H new ATOM 0 HB2 PHE A 8 17.991 5.033 11.200 1.00 0.00 H new ATOM 0 HB3 PHE A 8 17.273 4.711 9.634 1.00 0.00 H new ATOM 0 HD1 PHE A 8 18.922 7.604 11.368 1.00 0.00 H new ATOM 0 HD2 PHE A 8 18.547 5.301 7.803 1.00 0.00 H new ATOM 0 HE1 PHE A 8 20.648 8.986 10.295 1.00 0.00 H new ATOM 0 HE2 PHE A 8 20.271 6.682 6.727 1.00 0.00 H new ATOM 0 HZ PHE A 8 21.325 8.527 7.972 1.00 0.00 H new ATOM 137 N PRO A 9 13.908 5.811 10.848 1.00 0.00 N ATOM 138 CA PRO A 9 12.714 4.983 11.056 1.00 0.00 C ATOM 139 C PRO A 9 12.591 3.875 10.015 1.00 0.00 C ATOM 140 O PRO A 9 13.483 3.682 9.190 1.00 0.00 O ATOM 141 CB PRO A 9 11.556 5.976 10.917 1.00 0.00 C ATOM 142 CG PRO A 9 12.110 7.100 10.114 1.00 0.00 C ATOM 143 CD PRO A 9 13.559 7.199 10.495 1.00 0.00 C ATOM 0 HA PRO A 9 12.738 4.472 12.018 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.701 5.519 10.419 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.211 6.320 11.892 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.998 6.910 9.046 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.585 8.030 10.329 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.168 7.571 9.671 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.710 7.878 11.334 1.00 0.00 H new ATOM 151 N VAL A 10 11.477 3.150 10.058 1.00 0.00 N ATOM 152 CA VAL A 10 11.238 2.063 9.119 1.00 0.00 C ATOM 153 C VAL A 10 10.960 2.602 7.718 1.00 0.00 C ATOM 154 O VAL A 10 9.850 3.042 7.419 1.00 0.00 O ATOM 155 CB VAL A 10 10.057 1.178 9.570 1.00 0.00 C ATOM 156 CG1 VAL A 10 8.777 1.996 9.669 1.00 0.00 C ATOM 157 CG2 VAL A 10 9.875 -0.002 8.626 1.00 0.00 C ATOM 0 H VAL A 10 10.727 3.297 10.733 1.00 0.00 H new ATOM 0 HA VAL A 10 12.143 1.455 9.097 1.00 0.00 H new ATOM 0 HB VAL A 10 10.285 0.786 10.561 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.958 1.352 9.988 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.913 2.798 10.395 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.543 2.425 8.695 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.037 -0.612 8.963 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.675 0.365 7.619 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.783 -0.605 8.618 1.00 0.00 H new ATOM 167 N GLU A 11 11.978 2.569 6.865 1.00 0.00 N ATOM 168 CA GLU A 11 11.843 3.057 5.498 1.00 0.00 C ATOM 169 C GLU A 11 11.294 1.965 4.578 1.00 0.00 C ATOM 170 O GLU A 11 11.955 0.952 4.349 1.00 0.00 O ATOM 171 CB GLU A 11 13.193 3.549 4.973 1.00 0.00 C ATOM 172 CG GLU A 11 13.814 4.646 5.823 1.00 0.00 C ATOM 173 CD GLU A 11 14.377 5.780 4.989 1.00 0.00 C ATOM 174 OE1 GLU A 11 15.190 5.504 4.082 1.00 0.00 O ATOM 175 OE2 GLU A 11 14.006 6.945 5.244 1.00 0.00 O ATOM 0 H GLU A 11 12.904 2.210 7.096 1.00 0.00 H new ATOM 0 HA GLU A 11 11.138 3.888 5.506 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.882 2.706 4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.065 3.918 3.955 1.00 0.00 H new ATOM 0 HG2 GLU A 11 13.062 5.041 6.506 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.609 4.220 6.435 1.00 0.00 H new ATOM 182 N PRO A 12 10.076 2.154 4.039 1.00 0.00 N ATOM 183 CA PRO A 12 9.450 1.176 3.143 1.00 0.00 C ATOM 184 C PRO A 12 10.312 0.882 1.921 1.00 0.00 C ATOM 185 O PRO A 12 11.319 1.550 1.682 1.00 0.00 O ATOM 186 CB PRO A 12 8.135 1.845 2.715 1.00 0.00 C ATOM 187 CG PRO A 12 8.273 3.281 3.091 1.00 0.00 C ATOM 188 CD PRO A 12 9.218 3.327 4.256 1.00 0.00 C ATOM 0 HA PRO A 12 9.306 0.216 3.639 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.970 1.735 1.643 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.282 1.389 3.217 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.658 3.866 2.256 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.306 3.707 3.359 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.796 4.251 4.270 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.688 3.268 5.207 1.00 0.00 H new ATOM 196 N VAL A 13 9.908 -0.120 1.148 1.00 0.00 N ATOM 197 CA VAL A 13 10.641 -0.501 -0.053 1.00 0.00 C ATOM 198 C VAL A 13 12.083 -0.875 0.277 1.00 0.00 C ATOM 199 O VAL A 13 12.981 -0.721 -0.552 1.00 0.00 O ATOM 200 CB VAL A 13 10.645 0.634 -1.095 1.00 0.00 C ATOM 201 CG1 VAL A 13 11.083 0.111 -2.454 1.00 0.00 C ATOM 202 CG2 VAL A 13 9.271 1.286 -1.185 1.00 0.00 C ATOM 0 H VAL A 13 9.077 -0.683 1.332 1.00 0.00 H new ATOM 0 HA VAL A 13 10.129 -1.367 -0.472 1.00 0.00 H new ATOM 0 HB VAL A 13 11.360 1.391 -0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.079 0.927 -3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.089 -0.302 -2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.395 -0.668 -2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.295 2.085 -1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.533 0.540 -1.479 1.00 0.00 H new ATOM 0 HG23 VAL A 13 9.001 1.700 -0.214 1.00 0.00 H new ATOM 212 N GLY A 14 12.299 -1.369 1.493 1.00 0.00 N ATOM 213 CA GLY A 14 13.634 -1.755 1.909 1.00 0.00 C ATOM 214 C GLY A 14 13.656 -3.096 2.618 1.00 0.00 C ATOM 215 O GLY A 14 12.777 -3.932 2.404 1.00 0.00 O ATOM 0 H GLY A 14 11.573 -1.508 2.196 1.00 0.00 H new ATOM 0 HA2 GLY A 14 14.285 -1.799 1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 14 14.040 -0.991 2.571 1.00 0.00 H new ATOM 219 N GLU A 15 14.662 -3.302 3.460 1.00 0.00 N ATOM 220 CA GLU A 15 14.796 -4.550 4.201 1.00 0.00 C ATOM 221 C GLU A 15 13.812 -4.604 5.366 1.00 0.00 C ATOM 222 O GLU A 15 13.299 -5.667 5.711 1.00 0.00 O ATOM 223 CB GLU A 15 16.226 -4.712 4.718 1.00 0.00 C ATOM 224 CG GLU A 15 16.736 -3.502 5.487 1.00 0.00 C ATOM 225 CD GLU A 15 17.054 -3.820 6.934 1.00 0.00 C ATOM 226 OE1 GLU A 15 17.885 -4.720 7.176 1.00 0.00 O ATOM 227 OE2 GLU A 15 16.471 -3.170 7.828 1.00 0.00 O ATOM 0 H GLU A 15 15.397 -2.620 3.647 1.00 0.00 H new ATOM 0 HA GLU A 15 14.568 -5.370 3.520 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.273 -5.589 5.364 1.00 0.00 H new ATOM 0 HB3 GLU A 15 16.889 -4.902 3.874 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.631 -3.117 4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 15 15.987 -2.711 5.449 1.00 0.00 H new ATOM 234 N LYS A 16 13.554 -3.447 5.970 1.00 0.00 N ATOM 235 CA LYS A 16 12.632 -3.363 7.097 1.00 0.00 C ATOM 236 C LYS A 16 11.351 -2.634 6.703 1.00 0.00 C ATOM 237 O LYS A 16 11.396 -1.523 6.175 1.00 0.00 O ATOM 238 CB LYS A 16 13.300 -2.649 8.275 1.00 0.00 C ATOM 239 CG LYS A 16 12.482 -2.696 9.556 1.00 0.00 C ATOM 240 CD LYS A 16 13.364 -2.936 10.772 1.00 0.00 C ATOM 241 CE LYS A 16 13.864 -4.370 10.822 1.00 0.00 C ATOM 242 NZ LYS A 16 15.082 -4.504 11.668 1.00 0.00 N ATOM 0 H LYS A 16 13.970 -2.556 5.698 1.00 0.00 H new ATOM 0 HA LYS A 16 12.370 -4.378 7.396 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.274 -3.102 8.459 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.478 -1.608 8.005 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.940 -1.758 9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.736 -3.488 9.484 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.214 -2.254 10.747 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.803 -2.713 11.680 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.077 -5.015 11.213 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.084 -4.713 9.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.391 -5.497 11.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.841 -3.908 11.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.865 -4.201 12.639 1.00 0.00 H new ATOM 256 N SER A 17 10.213 -3.266 6.966 1.00 0.00 N ATOM 257 CA SER A 17 8.919 -2.680 6.640 1.00 0.00 C ATOM 258 C SER A 17 7.798 -3.372 7.410 1.00 0.00 C ATOM 259 O SER A 17 7.522 -4.553 7.195 1.00 0.00 O ATOM 260 CB SER A 17 8.655 -2.776 5.136 1.00 0.00 C ATOM 261 OG SER A 17 9.451 -1.850 4.418 1.00 0.00 O ATOM 0 H SER A 17 10.161 -4.185 7.405 1.00 0.00 H new ATOM 0 HA SER A 17 8.941 -1.630 6.931 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.868 -3.788 4.790 1.00 0.00 H new ATOM 0 HB3 SER A 17 7.601 -2.586 4.936 1.00 0.00 H new ATOM 0 HG SER A 17 10.021 -1.355 5.043 1.00 0.00 H new ATOM 267 N ASN A 18 7.156 -2.628 8.306 1.00 0.00 N ATOM 268 CA ASN A 18 6.065 -3.169 9.107 1.00 0.00 C ATOM 269 C ASN A 18 4.925 -3.653 8.216 1.00 0.00 C ATOM 270 O ASN A 18 4.958 -3.471 7.000 1.00 0.00 O ATOM 271 CB ASN A 18 5.553 -2.111 10.088 1.00 0.00 C ATOM 272 CG ASN A 18 6.051 -2.344 11.501 1.00 0.00 C ATOM 273 OD1 ASN A 18 6.625 -1.451 12.125 1.00 0.00 O ATOM 274 ND2 ASN A 18 5.834 -3.550 12.015 1.00 0.00 N ATOM 0 H ASN A 18 7.373 -1.649 8.495 1.00 0.00 H new ATOM 0 HA ASN A 18 6.446 -4.021 9.670 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.870 -1.124 9.752 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.463 -2.114 10.085 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.147 -3.765 12.962 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.354 -4.261 11.463 1.00 0.00 H new ATOM 281 N TYR A 19 3.921 -4.272 8.827 1.00 0.00 N ATOM 282 CA TYR A 19 2.775 -4.781 8.080 1.00 0.00 C ATOM 283 C TYR A 19 1.493 -4.676 8.900 1.00 0.00 C ATOM 284 O TYR A 19 1.370 -5.286 9.961 1.00 0.00 O ATOM 285 CB TYR A 19 2.998 -6.240 7.655 1.00 0.00 C ATOM 286 CG TYR A 19 4.444 -6.690 7.705 1.00 0.00 C ATOM 287 CD1 TYR A 19 5.113 -6.813 8.917 1.00 0.00 C ATOM 288 CD2 TYR A 19 5.139 -6.993 6.540 1.00 0.00 C ATOM 289 CE1 TYR A 19 6.431 -7.223 8.967 1.00 0.00 C ATOM 290 CE2 TYR A 19 6.457 -7.405 6.582 1.00 0.00 C ATOM 291 CZ TYR A 19 7.099 -7.517 7.796 1.00 0.00 C ATOM 292 OH TYR A 19 8.411 -7.926 7.843 1.00 0.00 O ATOM 0 H TYR A 19 3.876 -4.433 9.833 1.00 0.00 H new ATOM 0 HA TYR A 19 2.671 -4.165 7.187 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.405 -6.889 8.300 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.624 -6.372 6.640 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.593 -6.584 9.836 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.640 -6.905 5.586 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.936 -7.313 9.917 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.982 -7.638 5.667 1.00 0.00 H new ATOM 0 HH TYR A 19 8.734 -8.094 6.933 1.00 0.00 H new ATOM 302 N ILE A 20 0.539 -3.905 8.390 1.00 0.00 N ATOM 303 CA ILE A 20 -0.740 -3.722 9.060 1.00 0.00 C ATOM 304 C ILE A 20 -1.621 -4.956 8.880 1.00 0.00 C ATOM 305 O ILE A 20 -2.168 -5.189 7.801 1.00 0.00 O ATOM 306 CB ILE A 20 -1.477 -2.479 8.511 1.00 0.00 C ATOM 307 CG1 ILE A 20 -0.707 -1.208 8.868 1.00 0.00 C ATOM 308 CG2 ILE A 20 -2.901 -2.408 9.048 1.00 0.00 C ATOM 309 CD1 ILE A 20 0.198 -0.718 7.757 1.00 0.00 C ATOM 0 H ILE A 20 0.630 -3.395 7.511 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.541 -3.574 10.121 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.530 -2.564 7.426 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.418 -0.421 9.121 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.107 -1.394 9.759 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.398 -1.525 8.647 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.449 -3.301 8.746 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.877 -2.348 10.136 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.713 0.187 8.080 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.932 -1.488 7.519 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.399 -0.500 6.871 1.00 0.00 H new ATOM 321 N CYS A 21 -1.751 -5.741 9.944 1.00 0.00 N ATOM 322 CA CYS A 21 -2.565 -6.951 9.907 1.00 0.00 C ATOM 323 C CYS A 21 -4.046 -6.610 10.016 1.00 0.00 C ATOM 324 O CYS A 21 -4.442 -5.762 10.815 1.00 0.00 O ATOM 325 CB CYS A 21 -2.162 -7.897 11.040 1.00 0.00 C ATOM 326 SG CYS A 21 -2.280 -7.165 12.688 1.00 0.00 S ATOM 0 H CYS A 21 -1.303 -5.561 10.843 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.393 -7.447 8.952 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.795 -8.783 11.002 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.137 -8.230 10.874 1.00 0.00 H new ATOM 0 HG CYS A 21 -3.209 -6.256 12.693 1.00 0.00 H new ATOM 332 N HIS A 22 -4.862 -7.275 9.206 1.00 0.00 N ATOM 333 CA HIS A 22 -6.300 -7.040 9.210 1.00 0.00 C ATOM 334 C HIS A 22 -7.053 -8.255 8.679 1.00 0.00 C ATOM 335 O HIS A 22 -6.475 -9.324 8.494 1.00 0.00 O ATOM 336 CB HIS A 22 -6.637 -5.806 8.371 1.00 0.00 C ATOM 337 CG HIS A 22 -7.714 -4.953 8.965 1.00 0.00 C ATOM 338 ND1 HIS A 22 -8.439 -4.037 8.232 1.00 0.00 N ATOM 339 CD2 HIS A 22 -8.190 -4.880 10.231 1.00 0.00 C ATOM 340 CE1 HIS A 22 -9.312 -3.437 9.021 1.00 0.00 C ATOM 341 NE2 HIS A 22 -9.182 -3.931 10.238 1.00 0.00 N ATOM 0 H HIS A 22 -4.552 -7.981 8.538 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.612 -6.867 10.240 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.736 -5.205 8.246 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.946 -6.127 7.376 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -7.852 -5.460 11.077 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.013 -2.672 8.721 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.730 -3.653 11.052 1.00 0.00 H new ATOM 350 N LYS A 23 -8.347 -8.075 8.434 1.00 0.00 N ATOM 351 CA LYS A 23 -9.196 -9.148 7.918 1.00 0.00 C ATOM 352 C LYS A 23 -8.601 -9.764 6.657 1.00 0.00 C ATOM 353 O LYS A 23 -8.907 -9.337 5.546 1.00 0.00 O ATOM 354 CB LYS A 23 -10.598 -8.611 7.615 1.00 0.00 C ATOM 355 CG LYS A 23 -10.592 -7.221 6.997 1.00 0.00 C ATOM 356 CD LYS A 23 -11.790 -7.003 6.086 1.00 0.00 C ATOM 357 CE LYS A 23 -13.101 -7.179 6.835 1.00 0.00 C ATOM 358 NZ LYS A 23 -13.413 -6.001 7.692 1.00 0.00 N ATOM 0 H LYS A 23 -8.835 -7.192 8.585 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.259 -9.922 8.683 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.104 -9.299 6.938 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.177 -8.588 8.538 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.596 -6.471 7.788 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.673 -7.080 6.429 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.746 -6.001 5.659 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.748 -7.706 5.254 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.910 -7.333 6.120 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.048 -8.075 7.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.314 -6.160 8.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.654 -5.869 8.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.489 -5.150 7.099 1.00 0.00 H new ATOM 372 N GLY A 24 -7.751 -10.770 6.833 1.00 0.00 N ATOM 373 CA GLY A 24 -7.132 -11.421 5.692 1.00 0.00 C ATOM 374 C GLY A 24 -6.258 -10.486 4.882 1.00 0.00 C ATOM 375 O GLY A 24 -5.852 -10.824 3.771 1.00 0.00 O ATOM 0 H GLY A 24 -7.480 -11.146 7.742 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.531 -12.261 6.041 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.910 -11.832 5.048 1.00 0.00 H new ATOM 379 N HIS A 25 -5.968 -9.305 5.427 1.00 0.00 N ATOM 380 CA HIS A 25 -5.140 -8.335 4.724 1.00 0.00 C ATOM 381 C HIS A 25 -3.935 -7.899 5.551 1.00 0.00 C ATOM 382 O HIS A 25 -4.041 -7.658 6.755 1.00 0.00 O ATOM 383 CB HIS A 25 -5.976 -7.112 4.321 1.00 0.00 C ATOM 384 CG HIS A 25 -6.037 -6.929 2.840 1.00 0.00 C ATOM 385 ND1 HIS A 25 -6.947 -6.130 2.178 1.00 0.00 N ATOM 386 CD2 HIS A 25 -5.277 -7.500 1.885 1.00 0.00 C ATOM 387 CE1 HIS A 25 -6.707 -6.251 0.860 1.00 0.00 C ATOM 388 NE2 HIS A 25 -5.700 -7.075 0.643 1.00 0.00 N ATOM 0 H HIS A 25 -6.292 -9.002 6.345 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.760 -8.825 3.827 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.987 -7.221 4.713 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.551 -6.218 4.778 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -7.669 -5.553 2.609 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.462 -8.185 2.065 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -7.263 -5.743 0.086 1.00 0.00 H new ATOM 396 N GLU A 26 -2.789 -7.789 4.882 1.00 0.00 N ATOM 397 CA GLU A 26 -1.550 -7.369 5.527 1.00 0.00 C ATOM 398 C GLU A 26 -0.938 -6.197 4.767 1.00 0.00 C ATOM 399 O GLU A 26 0.009 -6.364 3.998 1.00 0.00 O ATOM 400 CB GLU A 26 -0.558 -8.534 5.589 1.00 0.00 C ATOM 401 CG GLU A 26 0.194 -8.622 6.907 1.00 0.00 C ATOM 402 CD GLU A 26 1.582 -9.212 6.750 1.00 0.00 C ATOM 403 OE1 GLU A 26 1.842 -9.849 5.707 1.00 0.00 O ATOM 404 OE2 GLU A 26 2.408 -9.038 7.670 1.00 0.00 O ATOM 0 H GLU A 26 -2.695 -7.987 3.886 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.776 -7.052 6.545 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.096 -9.468 5.424 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.161 -8.432 4.776 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.274 -7.626 7.342 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.378 -9.231 7.607 1.00 0.00 H new ATOM 411 N PHE A 27 -1.499 -5.013 4.982 1.00 0.00 N ATOM 412 CA PHE A 27 -1.026 -3.804 4.312 1.00 0.00 C ATOM 413 C PHE A 27 0.366 -3.420 4.786 1.00 0.00 C ATOM 414 O PHE A 27 0.820 -3.862 5.838 1.00 0.00 O ATOM 415 CB PHE A 27 -1.996 -2.640 4.535 1.00 0.00 C ATOM 416 CG PHE A 27 -3.443 -3.049 4.571 1.00 0.00 C ATOM 417 CD1 PHE A 27 -4.157 -3.218 3.395 1.00 0.00 C ATOM 418 CD2 PHE A 27 -4.086 -3.265 5.778 1.00 0.00 C ATOM 419 CE1 PHE A 27 -5.486 -3.593 3.423 1.00 0.00 C ATOM 420 CE2 PHE A 27 -5.415 -3.640 5.813 1.00 0.00 C ATOM 421 CZ PHE A 27 -6.117 -3.805 4.634 1.00 0.00 C ATOM 0 H PHE A 27 -2.284 -4.863 5.616 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.978 -4.020 3.245 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.745 -2.146 5.474 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.856 -1.906 3.741 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.668 -3.055 2.446 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.542 -3.139 6.703 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.031 -3.720 2.500 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.905 -3.804 6.761 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.156 -4.099 4.659 1.00 0.00 H new ATOM 431 N ILE A 28 1.045 -2.610 3.988 1.00 0.00 N ATOM 432 CA ILE A 28 2.394 -2.173 4.311 1.00 0.00 C ATOM 433 C ILE A 28 2.515 -0.657 4.224 1.00 0.00 C ATOM 434 O ILE A 28 2.108 -0.049 3.236 1.00 0.00 O ATOM 435 CB ILE A 28 3.426 -2.811 3.365 1.00 0.00 C ATOM 436 CG1 ILE A 28 3.071 -4.281 3.099 1.00 0.00 C ATOM 437 CG2 ILE A 28 4.830 -2.678 3.942 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.417 -5.214 4.238 1.00 0.00 C ATOM 0 H ILE A 28 0.682 -2.241 3.109 1.00 0.00 H new ATOM 0 HA ILE A 28 2.597 -2.493 5.333 1.00 0.00 H new ATOM 0 HB ILE A 28 3.403 -2.282 2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.003 -4.355 2.894 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.591 -4.613 2.200 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.548 -3.134 3.261 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.072 -1.623 4.071 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.876 -3.181 4.908 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.135 -6.233 3.972 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.489 -5.172 4.430 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.876 -4.910 5.134 1.00 0.00 H new ATOM 450 N PRO A 29 3.086 -0.026 5.260 1.00 0.00 N ATOM 451 CA PRO A 29 3.264 1.426 5.297 1.00 0.00 C ATOM 452 C PRO A 29 4.295 1.903 4.290 1.00 0.00 C ATOM 453 O PRO A 29 5.484 1.621 4.427 1.00 0.00 O ATOM 454 CB PRO A 29 3.751 1.691 6.719 1.00 0.00 C ATOM 455 CG PRO A 29 4.382 0.415 7.153 1.00 0.00 C ATOM 456 CD PRO A 29 3.608 -0.678 6.475 1.00 0.00 C ATOM 0 HA PRO A 29 2.345 1.955 5.042 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.466 2.514 6.745 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.925 1.966 7.375 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.434 0.383 6.869 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.341 0.308 8.237 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.244 -1.529 6.232 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.803 -1.052 7.108 1.00 0.00 H new ATOM 464 N THR A 30 3.838 2.625 3.276 1.00 0.00 N ATOM 465 CA THR A 30 4.734 3.134 2.253 1.00 0.00 C ATOM 466 C THR A 30 4.141 4.348 1.546 1.00 0.00 C ATOM 467 O THR A 30 2.969 4.676 1.728 1.00 0.00 O ATOM 468 CB THR A 30 5.040 2.041 1.230 1.00 0.00 C ATOM 469 OG1 THR A 30 5.888 2.531 0.208 1.00 0.00 O ATOM 470 CG2 THR A 30 3.798 1.483 0.573 1.00 0.00 C ATOM 0 H THR A 30 2.857 2.869 3.142 1.00 0.00 H new ATOM 0 HA THR A 30 5.657 3.443 2.744 1.00 0.00 H new ATOM 0 HB THR A 30 5.527 1.243 1.791 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.073 1.815 -0.435 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.081 0.711 -0.143 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.147 1.052 1.333 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.270 2.283 0.054 1.00 0.00 H new ATOM 478 N LEU A 31 4.961 5.006 0.734 1.00 0.00 N ATOM 479 CA LEU A 31 4.527 6.180 -0.010 1.00 0.00 C ATOM 480 C LEU A 31 4.516 5.891 -1.507 1.00 0.00 C ATOM 481 O LEU A 31 5.202 4.983 -1.977 1.00 0.00 O ATOM 482 CB LEU A 31 5.448 7.364 0.289 1.00 0.00 C ATOM 483 CG LEU A 31 5.476 7.808 1.752 1.00 0.00 C ATOM 484 CD1 LEU A 31 6.353 9.040 1.920 1.00 0.00 C ATOM 485 CD2 LEU A 31 4.065 8.085 2.253 1.00 0.00 C ATOM 0 H LEU A 31 5.934 4.744 0.575 1.00 0.00 H new ATOM 0 HA LEU A 31 3.514 6.432 0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.462 7.102 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.139 8.209 -0.326 1.00 0.00 H new ATOM 0 HG LEU A 31 5.901 7.000 2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.361 9.341 2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.370 8.809 1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.958 9.854 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.104 8.400 3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.614 8.875 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.465 7.179 2.170 1.00 0.00 H new ATOM 497 N TYR A 32 3.737 6.666 -2.252 1.00 0.00 N ATOM 498 CA TYR A 32 3.643 6.486 -3.696 1.00 0.00 C ATOM 499 C TYR A 32 3.729 7.823 -4.423 1.00 0.00 C ATOM 500 O TYR A 32 2.789 8.618 -4.394 1.00 0.00 O ATOM 501 CB TYR A 32 2.338 5.775 -4.060 1.00 0.00 C ATOM 502 CG TYR A 32 2.466 4.269 -4.106 1.00 0.00 C ATOM 503 CD1 TYR A 32 3.114 3.640 -5.159 1.00 0.00 C ATOM 504 CD2 TYR A 32 1.938 3.477 -3.093 1.00 0.00 C ATOM 505 CE1 TYR A 32 3.235 2.264 -5.205 1.00 0.00 C ATOM 506 CE2 TYR A 32 2.053 2.101 -3.131 1.00 0.00 C ATOM 507 CZ TYR A 32 2.702 1.499 -4.188 1.00 0.00 C ATOM 508 OH TYR A 32 2.820 0.128 -4.230 1.00 0.00 O ATOM 0 H TYR A 32 3.163 7.423 -1.882 1.00 0.00 H new ATOM 0 HA TYR A 32 4.485 5.870 -4.013 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.571 6.045 -3.334 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.997 6.133 -5.031 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.531 4.236 -5.957 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.430 3.945 -2.263 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.744 1.791 -6.032 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.637 1.500 -2.336 1.00 0.00 H new ATOM 0 HH TYR A 32 3.557 -0.155 -3.649 1.00 0.00 H new ATOM 518 N HIS A 33 4.861 8.063 -5.075 1.00 0.00 N ATOM 519 CA HIS A 33 5.072 9.303 -5.814 1.00 0.00 C ATOM 520 C HIS A 33 4.389 9.259 -7.181 1.00 0.00 C ATOM 521 O HIS A 33 4.362 10.256 -7.900 1.00 0.00 O ATOM 522 CB HIS A 33 6.569 9.566 -5.990 1.00 0.00 C ATOM 523 CG HIS A 33 7.162 10.403 -4.899 1.00 0.00 C ATOM 524 ND1 HIS A 33 7.530 11.721 -5.077 1.00 0.00 N ATOM 525 CD2 HIS A 33 7.449 10.105 -3.610 1.00 0.00 C ATOM 526 CE1 HIS A 33 8.018 12.195 -3.945 1.00 0.00 C ATOM 527 NE2 HIS A 33 7.981 11.235 -3.040 1.00 0.00 N ATOM 0 H HIS A 33 5.648 7.415 -5.107 1.00 0.00 H new ATOM 0 HA HIS A 33 4.628 10.114 -5.237 1.00 0.00 H new ATOM 0 HB2 HIS A 33 7.095 8.612 -6.031 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.732 10.062 -6.947 1.00 0.00 H new ATOM 0 HD2 HIS A 33 7.289 9.155 -3.121 1.00 0.00 H new ATOM 0 HE1 HIS A 33 8.385 13.198 -3.787 1.00 0.00 H new ATOM 0 HE2 HIS A 33 8.297 11.319 -2.074 1.00 0.00 H new ATOM 536 N PHE A 34 3.834 8.100 -7.534 1.00 0.00 N ATOM 537 CA PHE A 34 3.151 7.940 -8.814 1.00 0.00 C ATOM 538 C PHE A 34 1.648 7.778 -8.609 1.00 0.00 C ATOM 539 O PHE A 34 1.185 7.601 -7.483 1.00 0.00 O ATOM 540 CB PHE A 34 3.704 6.732 -9.572 1.00 0.00 C ATOM 541 CG PHE A 34 5.186 6.541 -9.414 1.00 0.00 C ATOM 542 CD1 PHE A 34 5.698 5.861 -8.320 1.00 0.00 C ATOM 543 CD2 PHE A 34 6.067 7.040 -10.359 1.00 0.00 C ATOM 544 CE1 PHE A 34 7.059 5.684 -8.173 1.00 0.00 C ATOM 545 CE2 PHE A 34 7.431 6.866 -10.217 1.00 0.00 C ATOM 546 CZ PHE A 34 7.928 6.187 -9.122 1.00 0.00 C ATOM 0 H PHE A 34 3.845 7.262 -6.953 1.00 0.00 H new ATOM 0 HA PHE A 34 3.329 8.839 -9.404 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.193 5.833 -9.227 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.473 6.843 -10.631 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.024 5.465 -7.574 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.684 7.572 -11.217 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.445 5.152 -7.316 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.107 7.260 -10.961 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.993 6.050 -9.008 1.00 0.00 H new ATOM 556 N PRO A 35 0.867 7.841 -9.697 1.00 0.00 N ATOM 557 CA PRO A 35 -0.593 7.706 -9.636 1.00 0.00 C ATOM 558 C PRO A 35 -1.035 6.327 -9.160 1.00 0.00 C ATOM 559 O PRO A 35 -0.944 5.345 -9.899 1.00 0.00 O ATOM 560 CB PRO A 35 -1.045 7.938 -11.085 1.00 0.00 C ATOM 561 CG PRO A 35 0.115 8.585 -11.761 1.00 0.00 C ATOM 562 CD PRO A 35 1.338 8.053 -11.075 1.00 0.00 C ATOM 0 HA PRO A 35 -1.028 8.407 -8.923 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.308 6.998 -11.570 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.928 8.575 -11.124 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.129 8.348 -12.825 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.061 9.670 -11.677 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.688 7.127 -11.531 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.166 8.761 -11.116 1.00 0.00 H new ATOM 570 N THR A 36 -1.520 6.258 -7.923 1.00 0.00 N ATOM 571 CA THR A 36 -1.986 5.000 -7.353 1.00 0.00 C ATOM 572 C THR A 36 -3.450 5.121 -6.933 1.00 0.00 C ATOM 573 O THR A 36 -3.877 6.159 -6.430 1.00 0.00 O ATOM 574 CB THR A 36 -1.103 4.601 -6.161 1.00 0.00 C ATOM 575 OG1 THR A 36 0.033 3.881 -6.604 1.00 0.00 O ATOM 576 CG2 THR A 36 -1.809 3.743 -5.130 1.00 0.00 C ATOM 0 H THR A 36 -1.600 7.059 -7.297 1.00 0.00 H new ATOM 0 HA THR A 36 -1.913 4.218 -8.109 1.00 0.00 H new ATOM 0 HB THR A 36 -0.827 5.544 -5.688 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.760 3.984 -5.955 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.119 3.504 -4.321 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.664 4.287 -4.728 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.153 2.821 -5.598 1.00 0.00 H new ATOM 584 N ASN A 37 -4.215 4.058 -7.151 1.00 0.00 N ATOM 585 CA ASN A 37 -5.630 4.052 -6.800 1.00 0.00 C ATOM 586 C ASN A 37 -5.877 3.252 -5.527 1.00 0.00 C ATOM 587 O ASN A 37 -5.263 2.207 -5.310 1.00 0.00 O ATOM 588 CB ASN A 37 -6.461 3.473 -7.947 1.00 0.00 C ATOM 589 CG ASN A 37 -6.074 4.053 -9.293 1.00 0.00 C ATOM 590 OD1 ASN A 37 -6.479 5.161 -9.643 1.00 0.00 O ATOM 591 ND2 ASN A 37 -5.287 3.303 -10.057 1.00 0.00 N ATOM 0 H ASN A 37 -3.880 3.190 -7.569 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.934 5.083 -6.622 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.336 2.390 -7.972 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.517 3.668 -7.761 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.995 3.640 -10.974 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.975 2.390 -9.726 1.00 0.00 H new ATOM 598 N CYS A 38 -6.783 3.746 -4.689 1.00 0.00 N ATOM 599 CA CYS A 38 -7.113 3.073 -3.439 1.00 0.00 C ATOM 600 C CYS A 38 -8.210 2.035 -3.667 1.00 0.00 C ATOM 601 O CYS A 38 -9.067 2.203 -4.535 1.00 0.00 O ATOM 602 CB CYS A 38 -7.536 4.104 -2.380 1.00 0.00 C ATOM 603 SG CYS A 38 -8.747 3.506 -1.151 1.00 0.00 S ATOM 0 H CYS A 38 -7.301 4.609 -4.853 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.229 2.551 -3.072 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.645 4.445 -1.852 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.957 4.971 -2.889 1.00 0.00 H new ATOM 608 N GLU A 39 -8.170 0.960 -2.888 1.00 0.00 N ATOM 609 CA GLU A 39 -9.155 -0.112 -3.006 1.00 0.00 C ATOM 610 C GLU A 39 -10.381 0.171 -2.141 1.00 0.00 C ATOM 611 O GLU A 39 -11.511 -0.114 -2.539 1.00 0.00 O ATOM 612 CB GLU A 39 -8.526 -1.450 -2.609 1.00 0.00 C ATOM 613 CG GLU A 39 -8.619 -2.513 -3.691 1.00 0.00 C ATOM 614 CD GLU A 39 -10.002 -3.128 -3.788 1.00 0.00 C ATOM 615 OE1 GLU A 39 -10.993 -2.394 -3.588 1.00 0.00 O ATOM 616 OE2 GLU A 39 -10.093 -4.342 -4.064 1.00 0.00 O ATOM 0 H GLU A 39 -7.466 0.806 -2.167 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.479 -0.164 -4.046 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.477 -1.289 -2.360 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.015 -1.818 -1.707 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.353 -2.072 -4.652 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.890 -3.298 -3.488 1.00 0.00 H new ATOM 623 N ALA A 40 -10.152 0.726 -0.955 1.00 0.00 N ATOM 624 CA ALA A 40 -11.239 1.041 -0.033 1.00 0.00 C ATOM 625 C ALA A 40 -12.271 1.962 -0.684 1.00 0.00 C ATOM 626 O ALA A 40 -13.274 1.497 -1.225 1.00 0.00 O ATOM 627 CB ALA A 40 -10.687 1.664 1.241 1.00 0.00 C ATOM 0 H ALA A 40 -9.223 0.967 -0.609 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.744 0.110 0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.509 1.894 1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.004 0.964 1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.152 2.581 0.995 1.00 0.00 H new ATOM 633 N CYS A 41 -12.023 3.268 -0.627 1.00 0.00 N ATOM 634 CA CYS A 41 -12.935 4.245 -1.208 1.00 0.00 C ATOM 635 C CYS A 41 -12.686 4.399 -2.708 1.00 0.00 C ATOM 636 O CYS A 41 -12.027 3.562 -3.325 1.00 0.00 O ATOM 637 CB CYS A 41 -12.784 5.596 -0.501 1.00 0.00 C ATOM 638 SG CYS A 41 -11.238 6.482 -0.888 1.00 0.00 S ATOM 0 H CYS A 41 -11.198 3.672 -0.184 1.00 0.00 H new ATOM 0 HA CYS A 41 -13.955 3.886 -1.068 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -13.629 6.230 -0.771 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -12.837 5.436 0.576 1.00 0.00 H new ATOM 643 N MET A 42 -13.219 5.470 -3.289 1.00 0.00 N ATOM 644 CA MET A 42 -13.056 5.726 -4.716 1.00 0.00 C ATOM 645 C MET A 42 -12.337 7.051 -4.957 1.00 0.00 C ATOM 646 O MET A 42 -12.766 7.863 -5.779 1.00 0.00 O ATOM 647 CB MET A 42 -14.419 5.737 -5.410 1.00 0.00 C ATOM 648 CG MET A 42 -15.362 6.807 -4.882 1.00 0.00 C ATOM 649 SD MET A 42 -16.932 6.847 -5.766 1.00 0.00 S ATOM 650 CE MET A 42 -17.839 5.567 -4.902 1.00 0.00 C ATOM 0 H MET A 42 -13.767 6.174 -2.794 1.00 0.00 H new ATOM 0 HA MET A 42 -12.447 4.925 -5.136 1.00 0.00 H new ATOM 0 HB2 MET A 42 -14.272 5.890 -6.479 1.00 0.00 H new ATOM 0 HB3 MET A 42 -14.887 4.760 -5.289 1.00 0.00 H new ATOM 0 HG2 MET A 42 -15.550 6.629 -3.823 1.00 0.00 H new ATOM 0 HG3 MET A 42 -14.880 7.781 -4.961 1.00 0.00 H new ATOM 0 HE1 MET A 42 -18.835 5.471 -5.335 1.00 0.00 H new ATOM 0 HE2 MET A 42 -17.310 4.619 -4.997 1.00 0.00 H new ATOM 0 HE3 MET A 42 -17.925 5.831 -3.848 1.00 0.00 H new ATOM 660 N LYS A 43 -11.238 7.264 -4.241 1.00 0.00 N ATOM 661 CA LYS A 43 -10.459 8.489 -4.382 1.00 0.00 C ATOM 662 C LYS A 43 -9.034 8.178 -4.830 1.00 0.00 C ATOM 663 O LYS A 43 -8.557 7.053 -4.674 1.00 0.00 O ATOM 664 CB LYS A 43 -10.433 9.262 -3.062 1.00 0.00 C ATOM 665 CG LYS A 43 -11.685 10.088 -2.814 1.00 0.00 C ATOM 666 CD LYS A 43 -11.364 11.571 -2.698 1.00 0.00 C ATOM 667 CE LYS A 43 -11.609 12.299 -4.009 1.00 0.00 C ATOM 668 NZ LYS A 43 -12.109 13.684 -3.790 1.00 0.00 N ATOM 0 H LYS A 43 -10.867 6.604 -3.557 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.936 9.105 -5.144 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.305 8.557 -2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.565 9.922 -3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.392 9.931 -3.628 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.171 9.748 -1.900 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.976 12.016 -1.914 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.323 11.697 -2.400 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.683 12.334 -4.583 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.333 11.742 -4.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.264 14.147 -4.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.006 13.650 -3.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.408 14.224 -3.244 1.00 0.00 H new ATOM 682 N PRO A 44 -8.333 9.174 -5.395 1.00 0.00 N ATOM 683 CA PRO A 44 -6.957 9.001 -5.868 1.00 0.00 C ATOM 684 C PRO A 44 -5.965 8.837 -4.721 1.00 0.00 C ATOM 685 O PRO A 44 -6.087 9.485 -3.684 1.00 0.00 O ATOM 686 CB PRO A 44 -6.679 10.296 -6.634 1.00 0.00 C ATOM 687 CG PRO A 44 -7.586 11.300 -6.013 1.00 0.00 C ATOM 688 CD PRO A 44 -8.826 10.546 -5.621 1.00 0.00 C ATOM 0 HA PRO A 44 -6.845 8.100 -6.471 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.635 10.595 -6.542 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.885 10.180 -7.698 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.119 11.764 -5.144 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.821 12.101 -6.714 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.283 10.962 -4.723 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.581 10.578 -6.407 1.00 0.00 H new ATOM 696 N LEU A 45 -4.984 7.962 -4.919 1.00 0.00 N ATOM 697 CA LEU A 45 -3.967 7.708 -3.905 1.00 0.00 C ATOM 698 C LEU A 45 -2.574 7.993 -4.457 1.00 0.00 C ATOM 699 O LEU A 45 -2.009 7.181 -5.190 1.00 0.00 O ATOM 700 CB LEU A 45 -4.059 6.256 -3.421 1.00 0.00 C ATOM 701 CG LEU A 45 -3.016 5.843 -2.377 1.00 0.00 C ATOM 702 CD1 LEU A 45 -2.986 6.834 -1.226 1.00 0.00 C ATOM 703 CD2 LEU A 45 -3.303 4.442 -1.863 1.00 0.00 C ATOM 0 H LEU A 45 -4.872 7.416 -5.774 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.144 8.375 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.052 6.093 -3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.965 5.597 -4.284 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.036 5.843 -2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.239 6.522 -0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.732 7.824 -1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.966 6.868 -0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.552 4.165 -1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.291 4.418 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.271 3.736 -2.693 1.00 0.00 H new ATOM 715 N TRP A 46 -2.027 9.157 -4.107 1.00 0.00 N ATOM 716 CA TRP A 46 -0.697 9.556 -4.571 1.00 0.00 C ATOM 717 C TRP A 46 -0.417 11.021 -4.242 1.00 0.00 C ATOM 718 O TRP A 46 -1.240 11.699 -3.629 1.00 0.00 O ATOM 719 CB TRP A 46 -0.563 9.334 -6.079 1.00 0.00 C ATOM 720 CG TRP A 46 -1.709 9.895 -6.866 1.00 0.00 C ATOM 721 CD1 TRP A 46 -2.869 9.253 -7.193 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.806 11.210 -7.424 1.00 0.00 C ATOM 723 NE1 TRP A 46 -3.680 10.088 -7.921 1.00 0.00 N ATOM 724 CE2 TRP A 46 -3.050 11.296 -8.076 1.00 0.00 C ATOM 725 CE3 TRP A 46 -0.961 12.324 -7.436 1.00 0.00 C ATOM 726 CZ2 TRP A 46 -3.468 12.451 -8.732 1.00 0.00 C ATOM 727 CZ3 TRP A 46 -1.378 13.469 -8.086 1.00 0.00 C ATOM 728 CH2 TRP A 46 -2.623 13.525 -8.726 1.00 0.00 C ATOM 0 H TRP A 46 -2.484 9.841 -3.504 1.00 0.00 H new ATOM 0 HA TRP A 46 0.033 8.936 -4.052 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.364 9.790 -6.425 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.485 8.265 -6.276 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -3.113 8.237 -6.919 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.601 9.849 -8.287 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.001 12.290 -6.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -4.426 12.496 -9.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -0.734 14.336 -8.101 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.921 14.435 -9.225 1.00 0.00 H new ATOM 739 N HIS A 47 0.752 11.497 -4.660 1.00 0.00 N ATOM 740 CA HIS A 47 1.152 12.879 -4.420 1.00 0.00 C ATOM 741 C HIS A 47 2.524 13.155 -5.030 1.00 0.00 C ATOM 742 O HIS A 47 3.402 12.293 -5.018 1.00 0.00 O ATOM 743 CB HIS A 47 1.173 13.180 -2.921 1.00 0.00 C ATOM 744 CG HIS A 47 0.511 14.474 -2.560 1.00 0.00 C ATOM 745 ND1 HIS A 47 -0.569 14.556 -1.707 1.00 0.00 N ATOM 746 CD2 HIS A 47 0.782 15.745 -2.943 1.00 0.00 C ATOM 747 CE1 HIS A 47 -0.934 15.818 -1.581 1.00 0.00 C ATOM 748 NE2 HIS A 47 -0.131 16.560 -2.321 1.00 0.00 N ATOM 0 H HIS A 47 1.441 10.943 -5.169 1.00 0.00 H new ATOM 0 HA HIS A 47 0.421 13.532 -4.897 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.678 12.368 -2.389 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.207 13.203 -2.578 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.569 16.058 -3.613 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.751 16.182 -0.975 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.181 17.574 -2.415 1.00 0.00 H new ATOM 757 N MET A 48 2.700 14.358 -5.566 1.00 0.00 N ATOM 758 CA MET A 48 3.964 14.741 -6.184 1.00 0.00 C ATOM 759 C MET A 48 4.891 15.410 -5.175 1.00 0.00 C ATOM 760 O MET A 48 6.094 15.151 -5.156 1.00 0.00 O ATOM 761 CB MET A 48 3.716 15.683 -7.364 1.00 0.00 C ATOM 762 CG MET A 48 2.552 15.263 -8.247 1.00 0.00 C ATOM 763 SD MET A 48 1.086 16.284 -8.000 1.00 0.00 S ATOM 764 CE MET A 48 1.765 17.921 -8.262 1.00 0.00 C ATOM 0 H MET A 48 1.984 15.084 -5.585 1.00 0.00 H new ATOM 0 HA MET A 48 4.447 13.833 -6.545 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.528 16.687 -6.983 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.620 15.737 -7.971 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.856 15.318 -9.292 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.303 14.222 -8.042 1.00 0.00 H new ATOM 0 HE1 MET A 48 1.095 18.495 -8.902 1.00 0.00 H new ATOM 0 HE2 MET A 48 1.874 18.428 -7.303 1.00 0.00 H new ATOM 0 HE3 MET A 48 2.741 17.838 -8.741 1.00 0.00 H new ATOM 774 N PHE A 49 4.327 16.277 -4.342 1.00 0.00 N ATOM 775 CA PHE A 49 5.107 16.988 -3.336 1.00 0.00 C ATOM 776 C PHE A 49 5.306 16.133 -2.087 1.00 0.00 C ATOM 777 O PHE A 49 6.373 15.555 -1.883 1.00 0.00 O ATOM 778 CB PHE A 49 4.420 18.305 -2.967 1.00 0.00 C ATOM 779 CG PHE A 49 4.420 19.312 -4.082 1.00 0.00 C ATOM 780 CD1 PHE A 49 3.383 19.349 -5.000 1.00 0.00 C ATOM 781 CD2 PHE A 49 5.456 20.222 -4.211 1.00 0.00 C ATOM 782 CE1 PHE A 49 3.380 20.274 -6.026 1.00 0.00 C ATOM 783 CE2 PHE A 49 5.459 21.150 -5.235 1.00 0.00 C ATOM 784 CZ PHE A 49 4.418 21.175 -6.144 1.00 0.00 C ATOM 0 H PHE A 49 3.333 16.505 -4.343 1.00 0.00 H new ATOM 0 HA PHE A 49 6.088 17.203 -3.760 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.391 18.099 -2.674 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.919 18.736 -2.099 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.567 18.646 -4.912 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.271 20.206 -3.503 1.00 0.00 H new ATOM 0 HE1 PHE A 49 2.566 20.292 -6.735 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.273 21.854 -5.325 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.417 21.899 -6.945 1.00 0.00 H new ATOM 794 N LYS A 50 4.275 16.060 -1.249 1.00 0.00 N ATOM 795 CA LYS A 50 4.344 15.278 -0.020 1.00 0.00 C ATOM 796 C LYS A 50 3.416 14.067 -0.082 1.00 0.00 C ATOM 797 O LYS A 50 2.225 14.174 0.209 1.00 0.00 O ATOM 798 CB LYS A 50 3.977 16.151 1.182 1.00 0.00 C ATOM 799 CG LYS A 50 4.941 17.302 1.419 1.00 0.00 C ATOM 800 CD LYS A 50 6.349 16.801 1.696 1.00 0.00 C ATOM 801 CE LYS A 50 7.033 17.630 2.772 1.00 0.00 C ATOM 802 NZ LYS A 50 6.964 16.974 4.107 1.00 0.00 N ATOM 0 H LYS A 50 3.384 16.532 -1.399 1.00 0.00 H new ATOM 0 HA LYS A 50 5.367 14.919 0.092 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.974 16.553 1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.943 15.528 2.075 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.951 17.955 0.546 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.594 17.901 2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.310 15.758 2.009 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.936 16.837 0.779 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.076 17.789 2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.564 18.613 2.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.441 17.571 4.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.969 16.845 4.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.434 16.047 4.063 1.00 0.00 H new ATOM 816 N PRO A 51 3.950 12.892 -0.464 1.00 0.00 N ATOM 817 CA PRO A 51 3.155 11.661 -0.558 1.00 0.00 C ATOM 818 C PRO A 51 2.665 11.184 0.807 1.00 0.00 C ATOM 819 O PRO A 51 3.458 11.001 1.730 1.00 0.00 O ATOM 820 CB PRO A 51 4.131 10.646 -1.159 1.00 0.00 C ATOM 821 CG PRO A 51 5.485 11.170 -0.823 1.00 0.00 C ATOM 822 CD PRO A 51 5.361 12.668 -0.829 1.00 0.00 C ATOM 0 HA PRO A 51 2.253 11.805 -1.153 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.976 9.652 -0.738 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.997 10.560 -2.237 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.812 10.809 0.152 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.224 10.836 -1.551 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.040 13.131 -0.113 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.595 13.087 -1.808 1.00 0.00 H new ATOM 830 N PRO A 52 1.345 10.976 0.955 1.00 0.00 N ATOM 831 CA PRO A 52 0.757 10.517 2.216 1.00 0.00 C ATOM 832 C PRO A 52 1.081 9.054 2.504 1.00 0.00 C ATOM 833 O PRO A 52 1.366 8.281 1.591 1.00 0.00 O ATOM 834 CB PRO A 52 -0.745 10.699 1.995 1.00 0.00 C ATOM 835 CG PRO A 52 -0.924 10.599 0.521 1.00 0.00 C ATOM 836 CD PRO A 52 0.323 11.167 -0.093 1.00 0.00 C ATOM 0 HA PRO A 52 1.144 11.069 3.072 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.318 9.932 2.517 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.087 11.663 2.371 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.071 9.563 0.216 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.805 11.154 0.197 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.590 10.646 -1.013 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.201 12.220 -0.347 1.00 0.00 H new ATOM 844 N PRO A 53 1.039 8.651 3.786 1.00 0.00 N ATOM 845 CA PRO A 53 1.329 7.271 4.189 1.00 0.00 C ATOM 846 C PRO A 53 0.312 6.285 3.629 1.00 0.00 C ATOM 847 O PRO A 53 -0.721 6.028 4.243 1.00 0.00 O ATOM 848 CB PRO A 53 1.247 7.312 5.719 1.00 0.00 C ATOM 849 CG PRO A 53 0.416 8.509 6.029 1.00 0.00 C ATOM 850 CD PRO A 53 0.706 9.504 4.940 1.00 0.00 C ATOM 0 HA PRO A 53 2.296 6.934 3.815 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.793 6.403 6.114 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.238 7.393 6.165 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.643 8.254 6.053 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.668 8.917 7.008 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -0.155 10.140 4.736 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.533 10.163 5.206 1.00 0.00 H new ATOM 858 N ALA A 54 0.614 5.733 2.458 1.00 0.00 N ATOM 859 CA ALA A 54 -0.270 4.776 1.810 1.00 0.00 C ATOM 860 C ALA A 54 0.070 3.350 2.223 1.00 0.00 C ATOM 861 O ALA A 54 1.241 2.987 2.329 1.00 0.00 O ATOM 862 CB ALA A 54 -0.190 4.920 0.297 1.00 0.00 C ATOM 0 H ALA A 54 1.468 5.934 1.938 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.290 4.988 2.131 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.857 4.197 -0.173 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.489 5.929 0.011 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.833 4.737 -0.032 1.00 0.00 H new ATOM 868 N LEU A 55 -0.960 2.547 2.455 1.00 0.00 N ATOM 869 CA LEU A 55 -0.768 1.162 2.857 1.00 0.00 C ATOM 870 C LEU A 55 -0.960 0.221 1.675 1.00 0.00 C ATOM 871 O LEU A 55 -2.072 0.054 1.177 1.00 0.00 O ATOM 872 CB LEU A 55 -1.731 0.793 3.985 1.00 0.00 C ATOM 873 CG LEU A 55 -1.782 1.787 5.143 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.687 1.269 6.248 1.00 0.00 C ATOM 875 CD2 LEU A 55 -0.382 2.053 5.680 1.00 0.00 C ATOM 0 H LEU A 55 -1.936 2.832 2.372 1.00 0.00 H new ATOM 0 HA LEU A 55 0.255 1.055 3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.733 0.693 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.449 -0.184 4.377 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.193 2.727 4.773 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.712 1.989 7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.695 1.129 5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.304 0.317 6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.438 2.764 6.505 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.055 1.119 6.034 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.240 2.467 4.886 1.00 0.00 H new ATOM 887 N GLU A 56 0.133 -0.388 1.231 1.00 0.00 N ATOM 888 CA GLU A 56 0.090 -1.309 0.104 1.00 0.00 C ATOM 889 C GLU A 56 0.014 -2.754 0.579 1.00 0.00 C ATOM 890 O GLU A 56 0.677 -3.134 1.543 1.00 0.00 O ATOM 891 CB GLU A 56 1.321 -1.119 -0.783 1.00 0.00 C ATOM 892 CG GLU A 56 1.242 -1.865 -2.104 1.00 0.00 C ATOM 893 CD GLU A 56 2.569 -2.473 -2.511 1.00 0.00 C ATOM 894 OE1 GLU A 56 3.366 -2.816 -1.612 1.00 0.00 O ATOM 895 OE2 GLU A 56 2.813 -2.606 -3.728 1.00 0.00 O ATOM 0 H GLU A 56 1.061 -0.260 1.635 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.807 -1.089 -0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.453 -0.056 -0.984 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.205 -1.453 -0.239 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.494 -2.654 -2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.906 -1.181 -2.883 1.00 0.00 H new ATOM 902 N CYS A 57 -0.791 -3.560 -0.104 1.00 0.00 N ATOM 903 CA CYS A 57 -0.938 -4.960 0.256 1.00 0.00 C ATOM 904 C CYS A 57 0.219 -5.780 -0.300 1.00 0.00 C ATOM 905 O CYS A 57 0.596 -5.633 -1.462 1.00 0.00 O ATOM 906 CB CYS A 57 -2.268 -5.512 -0.263 1.00 0.00 C ATOM 907 SG CYS A 57 -2.521 -7.283 0.081 1.00 0.00 S ATOM 0 H CYS A 57 -1.349 -3.267 -0.906 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.929 -5.034 1.343 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.084 -4.945 0.185 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.321 -5.350 -1.340 1.00 0.00 H new ATOM 912 N ARG A 58 0.778 -6.645 0.538 1.00 0.00 N ATOM 913 CA ARG A 58 1.891 -7.490 0.130 1.00 0.00 C ATOM 914 C ARG A 58 1.392 -8.850 -0.353 1.00 0.00 C ATOM 915 O ARG A 58 2.081 -9.860 -0.213 1.00 0.00 O ATOM 916 CB ARG A 58 2.872 -7.663 1.290 1.00 0.00 C ATOM 917 CG ARG A 58 2.287 -8.411 2.476 1.00 0.00 C ATOM 918 CD ARG A 58 3.302 -8.563 3.599 1.00 0.00 C ATOM 919 NE ARG A 58 3.644 -9.963 3.843 1.00 0.00 N ATOM 920 CZ ARG A 58 4.599 -10.621 3.189 1.00 0.00 C ATOM 921 NH1 ARG A 58 5.311 -10.014 2.246 1.00 0.00 N ATOM 922 NH2 ARG A 58 4.844 -11.892 3.478 1.00 0.00 N ATOM 0 H ARG A 58 0.478 -6.779 1.504 1.00 0.00 H new ATOM 0 HA ARG A 58 2.407 -7.005 -0.699 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.753 -8.197 0.933 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.207 -6.680 1.621 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.411 -7.879 2.846 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.949 -9.396 2.155 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.206 -8.008 3.348 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.901 -8.123 4.512 1.00 0.00 H new ATOM 0 HE ARG A 58 3.119 -10.467 4.558 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.128 -9.037 2.018 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.041 -10.525 1.750 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.301 -12.365 4.201 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.575 -12.397 2.978 1.00 0.00 H new ATOM 936 N ARG A 59 0.188 -8.865 -0.925 1.00 0.00 N ATOM 937 CA ARG A 59 -0.410 -10.095 -1.432 1.00 0.00 C ATOM 938 C ARG A 59 -1.034 -9.872 -2.812 1.00 0.00 C ATOM 939 O ARG A 59 -0.493 -10.319 -3.823 1.00 0.00 O ATOM 940 CB ARG A 59 -1.466 -10.618 -0.454 1.00 0.00 C ATOM 941 CG ARG A 59 -0.927 -10.872 0.947 1.00 0.00 C ATOM 942 CD ARG A 59 -1.902 -10.407 2.015 1.00 0.00 C ATOM 943 NE ARG A 59 -1.761 -11.169 3.253 1.00 0.00 N ATOM 944 CZ ARG A 59 -2.309 -12.367 3.455 1.00 0.00 C ATOM 945 NH1 ARG A 59 -3.031 -12.944 2.502 1.00 0.00 N ATOM 946 NH2 ARG A 59 -2.133 -12.988 4.612 1.00 0.00 N ATOM 0 H ARG A 59 -0.392 -8.035 -1.048 1.00 0.00 H new ATOM 0 HA ARG A 59 0.380 -10.839 -1.529 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.283 -9.898 -0.395 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.885 -11.544 -0.846 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.729 -11.936 1.074 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.024 -10.354 1.071 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.738 -9.349 2.220 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.922 -10.505 1.643 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.210 -10.760 4.008 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.169 -12.470 1.609 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.448 -13.861 2.663 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.579 -12.549 5.347 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.552 -13.905 4.768 1.00 0.00 H new ATOM 960 N CYS A 60 -2.174 -9.182 -2.848 1.00 0.00 N ATOM 961 CA CYS A 60 -2.862 -8.906 -4.109 1.00 0.00 C ATOM 962 C CYS A 60 -2.335 -7.633 -4.773 1.00 0.00 C ATOM 963 O CYS A 60 -2.722 -7.309 -5.896 1.00 0.00 O ATOM 964 CB CYS A 60 -4.374 -8.790 -3.886 1.00 0.00 C ATOM 965 SG CYS A 60 -4.881 -7.339 -2.907 1.00 0.00 S ATOM 0 H CYS A 60 -2.639 -8.805 -2.022 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.662 -9.744 -4.777 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.870 -8.750 -4.856 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.725 -9.692 -3.385 1.00 0.00 H new ATOM 970 N HIS A 61 -1.453 -6.915 -4.078 1.00 0.00 N ATOM 971 CA HIS A 61 -0.876 -5.682 -4.608 1.00 0.00 C ATOM 972 C HIS A 61 -1.930 -4.587 -4.737 1.00 0.00 C ATOM 973 O HIS A 61 -2.456 -4.335 -5.822 1.00 0.00 O ATOM 974 CB HIS A 61 -0.210 -5.934 -5.963 1.00 0.00 C ATOM 975 CG HIS A 61 1.168 -6.510 -5.856 1.00 0.00 C ATOM 976 ND1 HIS A 61 1.767 -6.807 -4.649 1.00 0.00 N ATOM 977 CD2 HIS A 61 2.066 -6.845 -6.813 1.00 0.00 C ATOM 978 CE1 HIS A 61 2.975 -7.299 -4.869 1.00 0.00 C ATOM 979 NE2 HIS A 61 3.178 -7.333 -6.173 1.00 0.00 N ATOM 0 H HIS A 61 -1.123 -7.167 -3.146 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.118 -5.343 -3.901 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.834 -6.612 -6.545 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.160 -4.995 -6.514 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.932 -6.747 -7.880 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.675 -7.618 -4.111 1.00 0.00 H new ATOM 0 HE2 HIS A 61 4.025 -7.668 -6.631 1.00 0.00 H new ATOM 988 N ILE A 62 -2.216 -3.931 -3.620 1.00 0.00 N ATOM 989 CA ILE A 62 -3.187 -2.846 -3.582 1.00 0.00 C ATOM 990 C ILE A 62 -2.664 -1.718 -2.704 1.00 0.00 C ATOM 991 O ILE A 62 -1.567 -1.820 -2.159 1.00 0.00 O ATOM 992 CB ILE A 62 -4.550 -3.322 -3.040 1.00 0.00 C ATOM 993 CG1 ILE A 62 -4.389 -3.912 -1.637 1.00 0.00 C ATOM 994 CG2 ILE A 62 -5.167 -4.344 -3.982 1.00 0.00 C ATOM 995 CD1 ILE A 62 -5.558 -3.618 -0.722 1.00 0.00 C ATOM 0 H ILE A 62 -1.784 -4.135 -2.719 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.330 -2.492 -4.603 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.219 -2.463 -2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.263 -4.992 -1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.478 -3.517 -1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.129 -4.670 -3.586 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.313 -3.893 -4.963 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.502 -5.203 -4.073 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.377 -4.066 0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.671 -2.540 -0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.469 -4.037 -1.150 1.00 0.00 H new ATOM 1007 N LYS A 63 -3.440 -0.650 -2.562 1.00 0.00 N ATOM 1008 CA LYS A 63 -3.024 0.478 -1.735 1.00 0.00 C ATOM 1009 C LYS A 63 -4.222 1.160 -1.088 1.00 0.00 C ATOM 1010 O LYS A 63 -5.297 1.239 -1.679 1.00 0.00 O ATOM 1011 CB LYS A 63 -2.244 1.503 -2.559 1.00 0.00 C ATOM 1012 CG LYS A 63 -1.124 0.905 -3.393 1.00 0.00 C ATOM 1013 CD LYS A 63 -1.623 0.437 -4.752 1.00 0.00 C ATOM 1014 CE LYS A 63 -0.593 -0.431 -5.456 1.00 0.00 C ATOM 1015 NZ LYS A 63 0.388 0.385 -6.223 1.00 0.00 N ATOM 0 H LYS A 63 -4.353 -0.541 -3.004 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.378 0.081 -0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.936 2.024 -3.220 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.823 2.250 -1.886 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.337 1.646 -3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.681 0.064 -2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.549 -0.124 -4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.856 1.302 -5.373 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.065 -1.037 -4.720 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.100 -1.120 -6.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.736 -0.163 -7.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.073 1.253 -6.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.188 0.636 -5.607 1.00 0.00 H new ATOM 1029 N CYS A 64 -4.025 1.655 0.127 1.00 0.00 N ATOM 1030 CA CYS A 64 -5.084 2.341 0.853 1.00 0.00 C ATOM 1031 C CYS A 64 -4.505 3.244 1.936 1.00 0.00 C ATOM 1032 O CYS A 64 -3.904 2.761 2.897 1.00 0.00 O ATOM 1033 CB CYS A 64 -6.044 1.327 1.477 1.00 0.00 C ATOM 1034 SG CYS A 64 -5.226 0.012 2.407 1.00 0.00 S ATOM 0 H CYS A 64 -3.140 1.594 0.630 1.00 0.00 H new ATOM 0 HA CYS A 64 -5.633 2.961 0.144 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -6.731 1.853 2.140 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -6.646 0.878 0.687 1.00 0.00 H new ATOM 0 HG CYS A 64 -3.999 -0.111 1.997 1.00 0.00 H new ATOM 1040 N HIS A 65 -4.682 4.556 1.769 1.00 0.00 N ATOM 1041 CA HIS A 65 -4.172 5.546 2.730 1.00 0.00 C ATOM 1042 C HIS A 65 -4.172 5.011 4.152 1.00 0.00 C ATOM 1043 O HIS A 65 -5.162 4.446 4.617 1.00 0.00 O ATOM 1044 CB HIS A 65 -4.999 6.848 2.719 1.00 0.00 C ATOM 1045 CG HIS A 65 -6.061 6.907 1.668 1.00 0.00 C ATOM 1046 ND1 HIS A 65 -6.183 7.894 0.710 1.00 0.00 N ATOM 1047 CD2 HIS A 65 -7.091 6.071 1.473 1.00 0.00 C ATOM 1048 CE1 HIS A 65 -7.282 7.618 -0.018 1.00 0.00 C ATOM 1049 NE2 HIS A 65 -7.867 6.515 0.415 1.00 0.00 N ATOM 0 H HIS A 65 -5.176 4.963 0.975 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.151 5.755 2.411 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.467 6.973 3.696 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.322 7.691 2.579 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -5.555 8.687 0.578 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -7.287 5.183 2.055 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.637 8.217 -0.844 1.00 0.00 H new ATOM 1057 N LYS A 66 -3.072 5.238 4.853 1.00 0.00 N ATOM 1058 CA LYS A 66 -2.960 4.825 6.239 1.00 0.00 C ATOM 1059 C LYS A 66 -4.169 5.350 7.009 1.00 0.00 C ATOM 1060 O LYS A 66 -4.624 4.738 7.976 1.00 0.00 O ATOM 1061 CB LYS A 66 -1.656 5.349 6.849 1.00 0.00 C ATOM 1062 CG LYS A 66 -1.568 5.172 8.358 1.00 0.00 C ATOM 1063 CD LYS A 66 -0.286 4.461 8.768 1.00 0.00 C ATOM 1064 CE LYS A 66 -0.550 3.385 9.810 1.00 0.00 C ATOM 1065 NZ LYS A 66 0.332 3.536 11.000 1.00 0.00 N ATOM 0 H LYS A 66 -2.245 5.706 4.483 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.940 3.737 6.298 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.816 4.835 6.383 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.554 6.408 6.610 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.614 6.148 8.842 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.428 4.602 8.708 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.178 4.012 7.890 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.422 5.188 9.166 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.593 3.431 10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.394 2.402 9.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.121 2.784 11.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.327 3.467 10.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.165 4.463 11.440 1.00 0.00 H new ATOM 1079 N ASP A 67 -4.679 6.497 6.557 1.00 0.00 N ATOM 1080 CA ASP A 67 -5.835 7.128 7.183 1.00 0.00 C ATOM 1081 C ASP A 67 -6.981 6.135 7.377 1.00 0.00 C ATOM 1082 O ASP A 67 -7.573 6.074 8.454 1.00 0.00 O ATOM 1083 CB ASP A 67 -6.309 8.314 6.337 1.00 0.00 C ATOM 1084 CG ASP A 67 -6.202 9.632 7.079 1.00 0.00 C ATOM 1085 OD1 ASP A 67 -6.662 9.699 8.238 1.00 0.00 O ATOM 1086 OD2 ASP A 67 -5.658 10.596 6.501 1.00 0.00 O ATOM 0 H ASP A 67 -4.306 7.007 5.756 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.528 7.483 8.167 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.716 8.365 5.424 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.344 8.152 6.037 1.00 0.00 H new ATOM 1091 N HIS A 68 -7.300 5.361 6.337 1.00 0.00 N ATOM 1092 CA HIS A 68 -8.397 4.385 6.443 1.00 0.00 C ATOM 1093 C HIS A 68 -8.218 3.490 7.667 1.00 0.00 C ATOM 1094 O HIS A 68 -9.125 3.359 8.488 1.00 0.00 O ATOM 1095 CB HIS A 68 -8.504 3.513 5.189 1.00 0.00 C ATOM 1096 CG HIS A 68 -9.135 4.212 4.026 1.00 0.00 C ATOM 1097 ND1 HIS A 68 -10.143 5.147 4.140 1.00 0.00 N ATOM 1098 CD2 HIS A 68 -8.826 4.152 2.712 1.00 0.00 C ATOM 1099 CE1 HIS A 68 -10.402 5.620 2.912 1.00 0.00 C ATOM 1100 NE2 HIS A 68 -9.627 5.050 2.011 1.00 0.00 N ATOM 0 H HIS A 68 -6.830 5.385 5.432 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.318 4.958 6.547 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -7.507 3.178 4.903 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -9.085 2.621 5.425 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -10.608 5.428 5.003 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -8.076 3.509 2.275 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -11.148 6.369 2.691 1.00 0.00 H new ATOM 1108 N MET A 69 -7.045 2.876 7.780 1.00 0.00 N ATOM 1109 CA MET A 69 -6.751 1.992 8.903 1.00 0.00 C ATOM 1110 C MET A 69 -6.768 2.761 10.222 1.00 0.00 C ATOM 1111 O MET A 69 -7.429 2.358 11.177 1.00 0.00 O ATOM 1112 CB MET A 69 -5.392 1.318 8.706 1.00 0.00 C ATOM 1113 CG MET A 69 -4.995 0.399 9.850 1.00 0.00 C ATOM 1114 SD MET A 69 -6.089 -1.024 10.012 1.00 0.00 S ATOM 1115 CE MET A 69 -6.167 -1.588 8.314 1.00 0.00 C ATOM 0 H MET A 69 -6.283 2.974 7.109 1.00 0.00 H new ATOM 0 HA MET A 69 -7.525 1.226 8.943 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.412 0.743 7.780 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.629 2.087 8.587 1.00 0.00 H new ATOM 0 HG2 MET A 69 -3.974 0.051 9.693 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.000 0.964 10.782 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.140 -2.677 8.291 1.00 0.00 H new ATOM 0 HE2 MET A 69 -7.092 -1.238 7.856 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.316 -1.192 7.760 1.00 0.00 H new ATOM 1125 N ASP A 70 -6.038 3.870 10.263 1.00 0.00 N ATOM 1126 CA ASP A 70 -5.969 4.695 11.465 1.00 0.00 C ATOM 1127 C ASP A 70 -7.364 5.149 11.893 1.00 0.00 C ATOM 1128 O ASP A 70 -7.616 5.377 13.076 1.00 0.00 O ATOM 1129 CB ASP A 70 -5.074 5.912 11.223 1.00 0.00 C ATOM 1130 CG ASP A 70 -4.160 6.199 12.397 1.00 0.00 C ATOM 1131 OD1 ASP A 70 -4.621 6.836 13.368 1.00 0.00 O ATOM 1132 OD2 ASP A 70 -2.982 5.786 12.347 1.00 0.00 O ATOM 0 H ASP A 70 -5.486 4.219 9.479 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.541 4.093 12.266 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.472 5.745 10.330 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.697 6.785 11.029 1.00 0.00 H new ATOM 1137 N LYS A 71 -8.262 5.276 10.923 1.00 0.00 N ATOM 1138 CA LYS A 71 -9.630 5.700 11.196 1.00 0.00 C ATOM 1139 C LYS A 71 -10.559 4.498 11.359 1.00 0.00 C ATOM 1140 O LYS A 71 -11.659 4.623 11.897 1.00 0.00 O ATOM 1141 CB LYS A 71 -10.140 6.600 10.071 1.00 0.00 C ATOM 1142 CG LYS A 71 -9.311 7.861 9.876 1.00 0.00 C ATOM 1143 CD LYS A 71 -10.082 9.106 10.284 1.00 0.00 C ATOM 1144 CE LYS A 71 -9.172 10.319 10.373 1.00 0.00 C ATOM 1145 NZ LYS A 71 -9.943 11.592 10.395 1.00 0.00 N ATOM 0 H LYS A 71 -8.067 5.091 9.939 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.626 6.260 12.131 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.149 6.034 9.140 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.171 6.882 10.282 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.396 7.790 10.464 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.013 7.943 8.831 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.875 9.297 9.562 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.562 8.938 11.248 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.561 10.249 11.273 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.489 10.323 9.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.285 12.395 10.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.507 11.672 9.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.577 11.600 11.220 1.00 0.00 H new ATOM 1159 N LYS A 72 -10.112 3.335 10.891 1.00 0.00 N ATOM 1160 CA LYS A 72 -10.909 2.118 10.985 1.00 0.00 C ATOM 1161 C LYS A 72 -12.183 2.240 10.155 1.00 0.00 C ATOM 1162 O LYS A 72 -13.262 2.501 10.687 1.00 0.00 O ATOM 1163 CB LYS A 72 -11.256 1.819 12.445 1.00 0.00 C ATOM 1164 CG LYS A 72 -11.146 0.348 12.807 1.00 0.00 C ATOM 1165 CD LYS A 72 -12.361 -0.435 12.334 1.00 0.00 C ATOM 1166 CE LYS A 72 -13.540 -0.263 13.281 1.00 0.00 C ATOM 1167 NZ LYS A 72 -13.982 -1.563 13.857 1.00 0.00 N ATOM 0 H LYS A 72 -9.204 3.211 10.444 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.318 1.293 10.589 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.594 2.394 13.092 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.272 2.159 12.645 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.245 -0.071 12.360 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.043 0.245 13.887 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.644 -0.102 11.335 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.106 -1.492 12.257 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.262 0.416 14.087 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.370 0.199 12.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.787 -1.404 14.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.271 -2.202 13.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.197 -1.992 14.388 1.00 0.00 H new ATOM 1181 N GLU A 73 -12.047 2.052 8.845 1.00 0.00 N ATOM 1182 CA GLU A 73 -13.185 2.146 7.939 1.00 0.00 C ATOM 1183 C GLU A 73 -13.588 0.768 7.420 1.00 0.00 C ATOM 1184 O GLU A 73 -12.786 0.067 6.804 1.00 0.00 O ATOM 1185 CB GLU A 73 -12.851 3.068 6.765 1.00 0.00 C ATOM 1186 CG GLU A 73 -12.453 4.472 7.191 1.00 0.00 C ATOM 1187 CD GLU A 73 -13.005 5.540 6.267 1.00 0.00 C ATOM 1188 OE1 GLU A 73 -14.176 5.418 5.852 1.00 0.00 O ATOM 1189 OE2 GLU A 73 -12.264 6.498 5.959 1.00 0.00 O ATOM 0 H GLU A 73 -11.161 1.834 8.389 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.025 2.563 8.494 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.038 2.628 6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.715 3.129 6.104 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.809 4.655 8.205 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.366 4.545 7.217 1.00 0.00 H new ATOM 1196 N GLU A 74 -14.836 0.389 7.674 1.00 0.00 N ATOM 1197 CA GLU A 74 -15.353 -0.902 7.232 1.00 0.00 C ATOM 1198 C GLU A 74 -15.232 -1.052 5.717 1.00 0.00 C ATOM 1199 O GLU A 74 -15.213 -2.166 5.191 1.00 0.00 O ATOM 1200 CB GLU A 74 -16.814 -1.063 7.657 1.00 0.00 C ATOM 1201 CG GLU A 74 -17.770 -0.133 6.927 1.00 0.00 C ATOM 1202 CD GLU A 74 -19.203 -0.282 7.398 1.00 0.00 C ATOM 1203 OE1 GLU A 74 -19.778 -1.374 7.212 1.00 0.00 O ATOM 1204 OE2 GLU A 74 -19.749 0.695 7.953 1.00 0.00 O ATOM 0 H GLU A 74 -15.510 0.959 8.185 1.00 0.00 H new ATOM 0 HA GLU A 74 -14.756 -1.683 7.703 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.122 -2.094 7.484 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.893 -0.882 8.729 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -17.449 0.899 7.072 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.721 -0.334 5.857 1.00 0.00 H new ATOM 1211 N ILE A 75 -15.154 0.079 5.021 1.00 0.00 N ATOM 1212 CA ILE A 75 -15.038 0.087 3.567 1.00 0.00 C ATOM 1213 C ILE A 75 -13.964 -0.886 3.083 1.00 0.00 C ATOM 1214 O ILE A 75 -14.047 -1.417 1.976 1.00 0.00 O ATOM 1215 CB ILE A 75 -14.716 1.501 3.049 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -13.336 1.948 3.544 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -15.791 2.483 3.498 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -12.972 3.362 3.145 1.00 0.00 C ATOM 0 H ILE A 75 -15.169 1.007 5.444 1.00 0.00 H new ATOM 0 HA ILE A 75 -16.001 -0.232 3.169 1.00 0.00 H new ATOM 0 HB ILE A 75 -14.700 1.481 1.959 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -13.307 1.868 4.631 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.582 1.265 3.154 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -15.552 3.479 3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.758 2.170 3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -15.833 2.503 4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.982 3.606 3.531 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -12.967 3.444 2.058 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -13.704 4.056 3.558 1.00 0.00 H new ATOM 1230 N ILE A 76 -12.958 -1.116 3.922 1.00 0.00 N ATOM 1231 CA ILE A 76 -11.871 -2.026 3.579 1.00 0.00 C ATOM 1232 C ILE A 76 -12.340 -3.477 3.626 1.00 0.00 C ATOM 1233 O ILE A 76 -12.939 -3.915 4.607 1.00 0.00 O ATOM 1234 CB ILE A 76 -10.673 -1.854 4.534 1.00 0.00 C ATOM 1235 CG1 ILE A 76 -10.224 -0.392 4.567 1.00 0.00 C ATOM 1236 CG2 ILE A 76 -9.521 -2.756 4.114 1.00 0.00 C ATOM 1237 CD1 ILE A 76 -9.036 -0.144 5.471 1.00 0.00 C ATOM 0 H ILE A 76 -12.873 -0.685 4.843 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.555 -1.779 2.565 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.987 -2.143 5.537 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.972 -0.075 3.555 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.057 0.228 4.898 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.684 -2.621 4.800 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.846 -3.796 4.138 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.207 -2.498 3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.773 0.914 5.445 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.290 -0.430 6.492 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.188 -0.737 5.128 1.00 0.00 H new ATOM 1249 N ALA A 77 -12.060 -4.218 2.558 1.00 0.00 N ATOM 1250 CA ALA A 77 -12.453 -5.620 2.482 1.00 0.00 C ATOM 1251 C ALA A 77 -11.241 -6.537 2.602 1.00 0.00 C ATOM 1252 O ALA A 77 -10.100 -6.098 2.465 1.00 0.00 O ATOM 1253 CB ALA A 77 -13.190 -5.901 1.182 1.00 0.00 C ATOM 0 H ALA A 77 -11.564 -3.872 1.736 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.122 -5.822 3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.474 -6.953 1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -14.085 -5.281 1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.540 -5.671 0.338 1.00 0.00 H new ATOM 1259 N PRO A 78 -11.480 -7.832 2.860 1.00 0.00 N ATOM 1260 CA PRO A 78 -10.407 -8.819 2.997 1.00 0.00 C ATOM 1261 C PRO A 78 -9.637 -9.026 1.698 1.00 0.00 C ATOM 1262 O PRO A 78 -10.148 -8.750 0.613 1.00 0.00 O ATOM 1263 CB PRO A 78 -11.144 -10.104 3.385 1.00 0.00 C ATOM 1264 CG PRO A 78 -12.548 -9.905 2.930 1.00 0.00 C ATOM 1265 CD PRO A 78 -12.815 -8.432 3.038 1.00 0.00 C ATOM 0 HA PRO A 78 -9.661 -8.502 3.726 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.695 -10.974 2.907 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -11.100 -10.273 4.461 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.678 -10.251 1.904 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.243 -10.473 3.549 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.514 -8.093 2.273 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.248 -8.171 4.004 1.00 0.00 H new ATOM 1273 N CYS A 79 -8.404 -9.517 1.815 1.00 0.00 N ATOM 1274 CA CYS A 79 -7.570 -9.764 0.643 1.00 0.00 C ATOM 1275 C CYS A 79 -8.260 -10.733 -0.315 1.00 0.00 C ATOM 1276 O CYS A 79 -8.988 -11.628 0.111 1.00 0.00 O ATOM 1277 CB CYS A 79 -6.204 -10.312 1.060 1.00 0.00 C ATOM 1278 SG CYS A 79 -4.929 -10.179 -0.240 1.00 0.00 S ATOM 0 H CYS A 79 -7.964 -9.750 2.705 1.00 0.00 H new ATOM 0 HA CYS A 79 -7.420 -8.816 0.127 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.863 -9.777 1.946 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.314 -11.359 1.343 1.00 0.00 H new ATOM 1283 N LYS A 80 -8.035 -10.540 -1.613 1.00 0.00 N ATOM 1284 CA LYS A 80 -8.647 -11.389 -2.630 1.00 0.00 C ATOM 1285 C LYS A 80 -7.795 -12.620 -2.930 1.00 0.00 C ATOM 1286 O LYS A 80 -8.319 -13.723 -3.085 1.00 0.00 O ATOM 1287 CB LYS A 80 -8.877 -10.592 -3.915 1.00 0.00 C ATOM 1288 CG LYS A 80 -7.595 -10.092 -4.561 1.00 0.00 C ATOM 1289 CD LYS A 80 -7.824 -8.798 -5.326 1.00 0.00 C ATOM 1290 CE LYS A 80 -8.059 -9.058 -6.804 1.00 0.00 C ATOM 1291 NZ LYS A 80 -8.034 -7.801 -7.600 1.00 0.00 N ATOM 0 H LYS A 80 -7.434 -9.804 -1.984 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.604 -11.732 -2.237 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.413 -11.217 -4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.518 -9.739 -3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.838 -9.933 -3.793 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.207 -10.853 -5.239 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.683 -8.274 -4.907 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.960 -8.144 -5.203 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.295 -9.740 -7.178 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.021 -9.553 -6.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.198 -8.022 -8.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.779 -7.160 -7.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.107 -7.341 -7.494 1.00 0.00 H new ATOM 1305 N VAL A 81 -6.481 -12.429 -3.019 1.00 0.00 N ATOM 1306 CA VAL A 81 -5.570 -13.532 -3.311 1.00 0.00 C ATOM 1307 C VAL A 81 -5.472 -14.515 -2.144 1.00 0.00 C ATOM 1308 O VAL A 81 -4.873 -15.583 -2.278 1.00 0.00 O ATOM 1309 CB VAL A 81 -4.157 -13.024 -3.657 1.00 0.00 C ATOM 1310 CG1 VAL A 81 -4.187 -12.179 -4.921 1.00 0.00 C ATOM 1311 CG2 VAL A 81 -3.570 -12.240 -2.494 1.00 0.00 C ATOM 0 H VAL A 81 -6.025 -11.525 -2.894 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.988 -14.049 -4.175 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.517 -13.887 -3.841 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.180 -11.829 -5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.559 -12.779 -5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.843 -11.322 -4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.572 -11.890 -2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.208 -11.384 -2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.508 -12.883 -1.616 1.00 0.00 H new ATOM 1321 N TYR A 82 -6.059 -14.157 -1.003 1.00 0.00 N ATOM 1322 CA TYR A 82 -6.030 -15.017 0.177 1.00 0.00 C ATOM 1323 C TYR A 82 -6.391 -16.459 -0.180 1.00 0.00 C ATOM 1324 O TYR A 82 -5.937 -17.402 0.467 1.00 0.00 O ATOM 1325 CB TYR A 82 -6.992 -14.490 1.242 1.00 0.00 C ATOM 1326 CG TYR A 82 -6.588 -14.847 2.653 1.00 0.00 C ATOM 1327 CD1 TYR A 82 -6.880 -16.098 3.184 1.00 0.00 C ATOM 1328 CD2 TYR A 82 -5.915 -13.935 3.456 1.00 0.00 C ATOM 1329 CE1 TYR A 82 -6.512 -16.429 4.475 1.00 0.00 C ATOM 1330 CE2 TYR A 82 -5.542 -14.258 4.748 1.00 0.00 C ATOM 1331 CZ TYR A 82 -5.844 -15.508 5.251 1.00 0.00 C ATOM 1332 OH TYR A 82 -5.476 -15.833 6.537 1.00 0.00 O ATOM 0 H TYR A 82 -6.560 -13.278 -0.872 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.014 -15.006 0.573 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.058 -13.405 1.155 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -7.989 -14.886 1.047 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.403 -16.823 2.578 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.679 -12.957 3.065 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.747 -17.405 4.873 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -5.018 -13.538 5.359 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.013 -15.073 6.947 1.00 0.00 H new ATOM 1342 N TYR A 83 -7.211 -16.619 -1.215 1.00 0.00 N ATOM 1343 CA TYR A 83 -7.630 -17.944 -1.658 1.00 0.00 C ATOM 1344 C TYR A 83 -6.931 -18.329 -2.958 1.00 0.00 C ATOM 1345 O TYR A 83 -6.173 -19.296 -3.004 1.00 0.00 O ATOM 1346 CB TYR A 83 -9.147 -17.984 -1.851 1.00 0.00 C ATOM 1347 CG TYR A 83 -9.927 -17.779 -0.572 1.00 0.00 C ATOM 1348 CD1 TYR A 83 -10.138 -16.504 -0.062 1.00 0.00 C ATOM 1349 CD2 TYR A 83 -10.453 -18.860 0.124 1.00 0.00 C ATOM 1350 CE1 TYR A 83 -10.850 -16.313 1.108 1.00 0.00 C ATOM 1351 CE2 TYR A 83 -11.166 -18.677 1.294 1.00 0.00 C ATOM 1352 CZ TYR A 83 -11.363 -17.402 1.780 1.00 0.00 C ATOM 1353 OH TYR A 83 -12.072 -17.215 2.945 1.00 0.00 O ATOM 0 H TYR A 83 -7.597 -15.849 -1.761 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.349 -18.663 -0.888 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -9.434 -17.215 -2.568 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -9.424 -18.945 -2.285 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -9.740 -15.649 -0.588 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -10.302 -19.860 -0.255 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -11.003 -15.316 1.493 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -11.567 -19.528 1.825 1.00 0.00 H new ATOM 0 HH TYR A 83 -12.365 -18.083 3.293 1.00 0.00 H new ATOM 1363 N ASP A 84 -7.193 -17.563 -4.013 1.00 0.00 N ATOM 1364 CA ASP A 84 -6.590 -17.823 -5.315 1.00 0.00 C ATOM 1365 C ASP A 84 -5.069 -17.749 -5.234 1.00 0.00 C ATOM 1366 O ASP A 84 -4.515 -17.105 -4.342 1.00 0.00 O ATOM 1367 CB ASP A 84 -7.106 -16.821 -6.348 1.00 0.00 C ATOM 1368 CG ASP A 84 -7.216 -17.424 -7.735 1.00 0.00 C ATOM 1369 OD1 ASP A 84 -8.241 -18.079 -8.018 1.00 0.00 O ATOM 1370 OD2 ASP A 84 -6.276 -17.242 -8.538 1.00 0.00 O ATOM 0 H ASP A 84 -7.819 -16.758 -3.991 1.00 0.00 H new ATOM 0 HA ASP A 84 -6.871 -18.830 -5.624 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.084 -16.453 -6.036 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.437 -15.961 -6.381 1.00 0.00 H new TER 1375 ASP A 84 HETATM 1376 ZN ZN A 601 -4.571 -7.938 -0.715 1.00 1.00 ZN HETATM 1377 ZN ZN A 602 -9.460 5.348 0.028 1.00 1.00 ZN