USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 946 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 44 THR OG1 : rot 165:sc=-0.00117 USER MOD Set 1.2: B 47 SER OG : rot -49:sc= 0.337! USER MOD Set 2.1: B 43 GLN : amide:sc= -9.35! K(o=-16!,f=-6.3) USER MOD Set 2.2: B 49 GLN : amide:sc= -6.53! C(o=-16!,f=-6.3!) USER MOD Set 3.1: B 23 ASN : amide:sc= -3.41! C(o=-5.3!,f=-0.5!) USER MOD Set 3.2: B 45 LYS NZ :NH3+ -126:sc= -1.85 (180deg=0.11) USER MOD Set 4.1: A 43 GLN : amide:sc= -9.3! K(o=-16!,f=-6.3) USER MOD Set 4.2: A 49 GLN : amide:sc= -6.61! C(o=-16!,f=-6.3!) USER MOD Set 5.1: A 44 THR OG1 : rot 169:sc= -0.0355 USER MOD Set 5.2: A 47 SER OG : rot -51:sc= 0.472! USER MOD Set 6.1: A 23 ASN : amide:sc= -3.28 K(o=-5.1,f=-0.46) USER MOD Set 6.2: A 45 LYS NZ :NH3+ -123:sc= -1.86 (180deg=0.109) USER MOD Single : A 5 SER OG : rot 15:sc= -2.05! USER MOD Single : A 9 THR OG1 : rot 163:sc= -0.44 USER MOD Single : A 14 SER OG : rot -84:sc= 1.83 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.384 USER MOD Single : A 19 LYS NZ :NH3+ -106:sc= -2.96! (180deg=-5.85!) USER MOD Single : A 28 TYR OH : rot -57:sc= 1.04 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 38:sc= -1.11 USER MOD Single : A 32 SER OG : rot 150:sc= 0.293 USER MOD Single : A 33 SER OG : rot 180:sc= -0.119 USER MOD Single : A 36 SER OG : rot 71:sc= 0.268 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 48 LYS NZ :NH3+ -157:sc= -0.0887 (180deg=-0.604) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0892 USER MOD Single : A 60 GLN : amide:sc= -0.459 K(o=-0.46,f=-3.3!) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.0583 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 19:sc= -1.94! USER MOD Single : B 9 THR OG1 : rot 168:sc= -0.459 USER MOD Single : B 14 SER OG : rot -128:sc= 1.67 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.346 USER MOD Single : B 19 LYS NZ :NH3+ -100:sc= -2.91! (180deg=-5.55!) USER MOD Single : B 28 TYR OH : rot -53:sc= 1.01 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 THR OG1 : rot 27:sc= -0.976 USER MOD Single : B 32 SER OG : rot 150:sc= 0.386 USER MOD Single : B 33 SER OG : rot 180:sc= -0.101 USER MOD Single : B 36 SER OG : rot 71:sc= 0.302 USER MOD Single : B 37 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : B 48 LYS NZ :NH3+ -158:sc= -0.106 (180deg=-0.611) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= -0.117 USER MOD Single : B 60 GLN : amide:sc= -0.53 K(o=-0.53,f=-3.3!) USER MOD Single : B 62 TYR OH : rot 180:sc= -0.0592 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N SER A 5 -10.749 9.759 -3.579 1.00 0.00 N ATOM 52 CA SER A 5 -11.458 9.943 -2.276 1.00 0.00 C ATOM 53 C SER A 5 -10.505 9.608 -1.114 1.00 0.00 C ATOM 54 O SER A 5 -9.968 10.486 -0.468 1.00 0.00 O ATOM 55 CB SER A 5 -12.699 9.031 -2.242 1.00 0.00 C ATOM 56 OG SER A 5 -12.769 8.304 -3.458 1.00 0.00 O ATOM 0 HA SER A 5 -11.778 10.980 -2.170 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.640 8.346 -1.396 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.601 9.627 -2.107 1.00 0.00 H new ATOM 0 HG SER A 5 -11.910 8.366 -3.926 1.00 0.00 H new ATOM 62 N ASP A 6 -10.294 8.344 -0.842 1.00 0.00 N ATOM 63 CA ASP A 6 -9.379 7.959 0.278 1.00 0.00 C ATOM 64 C ASP A 6 -8.828 6.545 0.037 1.00 0.00 C ATOM 65 O ASP A 6 -9.129 5.639 0.789 1.00 0.00 O ATOM 66 CB ASP A 6 -10.155 7.971 1.606 1.00 0.00 C ATOM 67 CG ASP A 6 -9.168 8.003 2.776 1.00 0.00 C ATOM 68 OD1 ASP A 6 -8.282 8.842 2.756 1.00 0.00 O ATOM 69 OD2 ASP A 6 -9.314 7.187 3.671 1.00 0.00 O ATOM 0 H ASP A 6 -10.715 7.563 -1.346 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.555 8.672 0.323 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.812 8.840 1.647 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.790 7.088 1.676 1.00 0.00 H new ATOM 74 N PRO A 7 -8.040 6.382 -1.006 1.00 0.00 N ATOM 75 CA PRO A 7 -7.463 5.065 -1.331 1.00 0.00 C ATOM 76 C PRO A 7 -6.541 4.587 -0.184 1.00 0.00 C ATOM 77 O PRO A 7 -6.198 5.365 0.683 1.00 0.00 O ATOM 78 CB PRO A 7 -6.665 5.291 -2.638 1.00 0.00 C ATOM 79 CG PRO A 7 -6.775 6.802 -3.000 1.00 0.00 C ATOM 80 CD PRO A 7 -7.671 7.474 -1.933 1.00 0.00 C ATOM 0 HA PRO A 7 -8.223 4.294 -1.455 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.622 5.004 -2.505 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.065 4.674 -3.443 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.788 7.264 -3.018 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.204 6.927 -3.994 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.138 8.270 -1.414 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.555 7.924 -2.385 1.00 0.00 H new ATOM 88 N PRO A 8 -6.162 3.323 -0.217 1.00 0.00 N ATOM 89 CA PRO A 8 -5.276 2.749 0.818 1.00 0.00 C ATOM 90 C PRO A 8 -3.915 3.465 0.798 1.00 0.00 C ATOM 91 O PRO A 8 -3.792 4.574 0.318 1.00 0.00 O ATOM 92 CB PRO A 8 -5.130 1.256 0.433 1.00 0.00 C ATOM 93 CG PRO A 8 -5.823 1.064 -0.946 1.00 0.00 C ATOM 94 CD PRO A 8 -6.580 2.369 -1.269 1.00 0.00 C ATOM 0 HA PRO A 8 -5.674 2.865 1.826 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.078 0.975 0.377 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.591 0.618 1.187 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.086 0.847 -1.719 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.511 0.219 -0.915 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.324 2.739 -2.262 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.659 2.214 -1.255 1.00 0.00 H new ATOM 102 N THR A 9 -2.894 2.831 1.315 1.00 0.00 N ATOM 103 CA THR A 9 -1.544 3.464 1.327 1.00 0.00 C ATOM 104 C THR A 9 -0.470 2.378 1.360 1.00 0.00 C ATOM 105 O THR A 9 -0.459 1.525 2.225 1.00 0.00 O ATOM 106 CB THR A 9 -1.409 4.348 2.567 1.00 0.00 C ATOM 107 OG1 THR A 9 -2.571 5.154 2.699 1.00 0.00 O ATOM 108 CG2 THR A 9 -0.174 5.241 2.431 1.00 0.00 C ATOM 0 H THR A 9 -2.939 1.900 1.730 1.00 0.00 H new ATOM 0 HA THR A 9 -1.420 4.070 0.430 1.00 0.00 H new ATOM 0 HB THR A 9 -1.300 3.720 3.451 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.623 5.506 3.612 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.080 5.870 3.316 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.716 4.619 2.332 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.276 5.871 1.547 1.00 0.00 H new ATOM 116 N ALA A 10 0.432 2.408 0.422 1.00 0.00 N ATOM 117 CA ALA A 10 1.510 1.385 0.388 1.00 0.00 C ATOM 118 C ALA A 10 2.454 1.590 1.572 1.00 0.00 C ATOM 119 O ALA A 10 3.494 2.207 1.446 1.00 0.00 O ATOM 120 CB ALA A 10 2.295 1.529 -0.914 1.00 0.00 C ATOM 0 H ALA A 10 0.469 3.100 -0.326 1.00 0.00 H new ATOM 0 HA ALA A 10 1.069 0.390 0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.088 0.781 -0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.625 1.383 -1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.734 2.525 -0.966 1.00 0.00 H new ATOM 126 N CYS A 11 2.104 1.066 2.718 1.00 0.00 N ATOM 127 CA CYS A 11 2.977 1.211 3.926 1.00 0.00 C ATOM 128 C CYS A 11 3.603 -0.148 4.238 1.00 0.00 C ATOM 129 O CYS A 11 2.949 -1.171 4.178 1.00 0.00 O ATOM 130 CB CYS A 11 2.127 1.671 5.115 1.00 0.00 C ATOM 131 SG CYS A 11 1.245 3.190 4.674 1.00 0.00 S ATOM 0 H CYS A 11 1.244 0.539 2.872 1.00 0.00 H new ATOM 0 HA CYS A 11 3.759 1.947 3.740 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.416 0.892 5.391 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.762 1.845 5.984 1.00 0.00 H new ATOM 136 N CYS A 12 4.867 -0.173 4.557 1.00 0.00 N ATOM 137 CA CYS A 12 5.529 -1.474 4.856 1.00 0.00 C ATOM 138 C CYS A 12 5.054 -1.992 6.214 1.00 0.00 C ATOM 139 O CYS A 12 4.923 -1.248 7.164 1.00 0.00 O ATOM 140 CB CYS A 12 7.048 -1.283 4.887 1.00 0.00 C ATOM 141 SG CYS A 12 7.614 -0.677 3.279 1.00 0.00 S ATOM 0 H CYS A 12 5.469 0.648 4.624 1.00 0.00 H new ATOM 0 HA CYS A 12 5.269 -2.196 4.081 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.320 -0.576 5.670 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.539 -2.227 5.125 1.00 0.00 H new ATOM 146 N PHE A 13 4.807 -3.273 6.311 1.00 0.00 N ATOM 147 CA PHE A 13 4.351 -3.868 7.604 1.00 0.00 C ATOM 148 C PHE A 13 5.548 -4.557 8.265 1.00 0.00 C ATOM 149 O PHE A 13 5.549 -4.846 9.445 1.00 0.00 O ATOM 150 CB PHE A 13 3.247 -4.896 7.329 1.00 0.00 C ATOM 151 CG PHE A 13 3.837 -6.089 6.615 1.00 0.00 C ATOM 152 CD1 PHE A 13 4.131 -6.010 5.242 1.00 0.00 C ATOM 153 CD2 PHE A 13 4.105 -7.274 7.327 1.00 0.00 C ATOM 154 CE1 PHE A 13 4.692 -7.117 4.580 1.00 0.00 C ATOM 155 CE2 PHE A 13 4.667 -8.381 6.666 1.00 0.00 C ATOM 156 CZ PHE A 13 4.961 -8.304 5.291 1.00 0.00 C ATOM 0 H PHE A 13 4.902 -3.938 5.544 1.00 0.00 H new ATOM 0 HA PHE A 13 3.957 -3.093 8.262 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.786 -5.210 8.266 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.461 -4.448 6.722 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.926 -5.101 4.697 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.879 -7.333 8.381 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.917 -7.057 3.525 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.873 -9.289 7.213 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.392 -9.153 4.782 1.00 0.00 H new ATOM 166 N SER A 14 6.568 -4.819 7.493 1.00 0.00 N ATOM 167 CA SER A 14 7.783 -5.486 8.036 1.00 0.00 C ATOM 168 C SER A 14 8.972 -5.140 7.138 1.00 0.00 C ATOM 169 O SER A 14 8.965 -4.140 6.448 1.00 0.00 O ATOM 170 CB SER A 14 7.574 -7.000 8.050 1.00 0.00 C ATOM 171 OG SER A 14 7.368 -7.458 6.720 1.00 0.00 O ATOM 0 H SER A 14 6.610 -4.596 6.499 1.00 0.00 H new ATOM 0 HA SER A 14 7.973 -5.145 9.054 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.442 -7.494 8.487 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.716 -7.254 8.672 1.00 0.00 H new ATOM 0 HG SER A 14 6.424 -7.353 6.480 1.00 0.00 H new ATOM 177 N TYR A 15 9.997 -5.948 7.140 1.00 0.00 N ATOM 178 CA TYR A 15 11.182 -5.648 6.280 1.00 0.00 C ATOM 179 C TYR A 15 11.921 -6.947 5.957 1.00 0.00 C ATOM 180 O TYR A 15 11.734 -7.956 6.607 1.00 0.00 O ATOM 181 CB TYR A 15 12.130 -4.697 7.026 1.00 0.00 C ATOM 182 CG TYR A 15 11.328 -3.660 7.775 1.00 0.00 C ATOM 183 CD1 TYR A 15 10.984 -2.447 7.150 1.00 0.00 C ATOM 184 CD2 TYR A 15 10.923 -3.910 9.101 1.00 0.00 C ATOM 185 CE1 TYR A 15 10.235 -1.482 7.851 1.00 0.00 C ATOM 186 CE2 TYR A 15 10.174 -2.944 9.802 1.00 0.00 C ATOM 187 CZ TYR A 15 9.830 -1.731 9.177 1.00 0.00 C ATOM 188 OH TYR A 15 9.096 -0.785 9.863 1.00 0.00 O ATOM 0 H TYR A 15 10.067 -6.800 7.697 1.00 0.00 H new ATOM 0 HA TYR A 15 10.847 -5.179 5.355 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.753 -5.260 7.721 1.00 0.00 H new ATOM 0 HB3 TYR A 15 12.802 -4.210 6.319 1.00 0.00 H new ATOM 0 HD1 TYR A 15 11.294 -2.256 6.133 1.00 0.00 H new ATOM 0 HD2 TYR A 15 11.186 -4.841 9.580 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.971 -0.551 7.372 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.864 -3.135 10.819 1.00 0.00 H new ATOM 0 HH TYR A 15 8.898 -1.115 10.764 1.00 0.00 H new ATOM 198 N THR A 16 12.765 -6.927 4.964 1.00 0.00 N ATOM 199 CA THR A 16 13.516 -8.165 4.618 1.00 0.00 C ATOM 200 C THR A 16 14.366 -8.574 5.824 1.00 0.00 C ATOM 201 O THR A 16 14.095 -8.181 6.941 1.00 0.00 O ATOM 202 CB THR A 16 14.401 -7.919 3.388 1.00 0.00 C ATOM 203 OG1 THR A 16 15.139 -9.096 3.091 1.00 0.00 O ATOM 204 CG2 THR A 16 15.367 -6.764 3.652 1.00 0.00 C ATOM 0 H THR A 16 12.966 -6.114 4.381 1.00 0.00 H new ATOM 0 HA THR A 16 12.821 -8.969 4.375 1.00 0.00 H new ATOM 0 HB THR A 16 13.765 -7.661 2.541 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.703 -8.939 2.305 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.988 -6.601 2.771 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.801 -5.858 3.869 1.00 0.00 H new ATOM 0 HG23 THR A 16 16.002 -7.008 4.504 1.00 0.00 H new ATOM 212 N ALA A 17 15.387 -9.358 5.617 1.00 0.00 N ATOM 213 CA ALA A 17 16.246 -9.790 6.760 1.00 0.00 C ATOM 214 C ALA A 17 17.686 -9.919 6.277 1.00 0.00 C ATOM 215 O ALA A 17 18.529 -10.479 6.950 1.00 0.00 O ATOM 216 CB ALA A 17 15.760 -11.146 7.272 1.00 0.00 C ATOM 0 H ALA A 17 15.666 -9.720 4.705 1.00 0.00 H new ATOM 0 HA ALA A 17 16.190 -9.056 7.564 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.385 -11.465 8.106 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.726 -11.060 7.605 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.823 -11.882 6.470 1.00 0.00 H new ATOM 222 N ARG A 18 17.974 -9.410 5.110 1.00 0.00 N ATOM 223 CA ARG A 18 19.360 -9.506 4.568 1.00 0.00 C ATOM 224 C ARG A 18 19.692 -8.242 3.775 1.00 0.00 C ATOM 225 O ARG A 18 18.927 -7.801 2.940 1.00 0.00 O ATOM 226 CB ARG A 18 19.447 -10.719 3.646 1.00 0.00 C ATOM 227 CG ARG A 18 18.952 -11.957 4.395 1.00 0.00 C ATOM 228 CD ARG A 18 19.329 -13.214 3.615 1.00 0.00 C ATOM 229 NE ARG A 18 18.649 -13.201 2.290 1.00 0.00 N ATOM 230 CZ ARG A 18 19.045 -14.008 1.345 1.00 0.00 C ATOM 231 NH1 ARG A 18 20.036 -14.829 1.561 1.00 0.00 N ATOM 232 NH2 ARG A 18 18.448 -13.997 0.185 1.00 0.00 N ATOM 0 H ARG A 18 17.307 -8.930 4.506 1.00 0.00 H new ATOM 0 HA ARG A 18 20.069 -9.610 5.390 1.00 0.00 H new ATOM 0 HB2 ARG A 18 18.845 -10.555 2.752 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.475 -10.866 3.315 1.00 0.00 H new ATOM 0 HG2 ARG A 18 19.391 -11.991 5.392 1.00 0.00 H new ATOM 0 HG3 ARG A 18 17.871 -11.908 4.524 1.00 0.00 H new ATOM 0 HD2 ARG A 18 20.410 -13.260 3.480 1.00 0.00 H new ATOM 0 HD3 ARG A 18 19.039 -14.103 4.175 1.00 0.00 H new ATOM 0 HE ARG A 18 17.873 -12.561 2.122 1.00 0.00 H new ATOM 0 HH11 ARG A 18 20.501 -14.840 2.469 1.00 0.00 H new ATOM 0 HH12 ARG A 18 20.346 -15.460 0.822 1.00 0.00 H new ATOM 0 HH21 ARG A 18 17.672 -13.357 0.017 1.00 0.00 H new ATOM 0 HH22 ARG A 18 18.758 -14.628 -0.554 1.00 0.00 H new ATOM 246 N LYS A 19 20.834 -7.662 4.020 1.00 0.00 N ATOM 247 CA LYS A 19 21.224 -6.436 3.271 1.00 0.00 C ATOM 248 C LYS A 19 21.355 -6.798 1.789 1.00 0.00 C ATOM 249 O LYS A 19 22.041 -7.733 1.428 1.00 0.00 O ATOM 250 CB LYS A 19 22.564 -5.920 3.825 1.00 0.00 C ATOM 251 CG LYS A 19 23.094 -4.730 3.001 1.00 0.00 C ATOM 252 CD LYS A 19 24.574 -4.489 3.322 1.00 0.00 C ATOM 253 CE LYS A 19 24.790 -4.436 4.839 1.00 0.00 C ATOM 254 NZ LYS A 19 24.865 -5.822 5.381 1.00 0.00 N ATOM 0 H LYS A 19 21.515 -7.985 4.708 1.00 0.00 H new ATOM 0 HA LYS A 19 20.474 -5.653 3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.437 -5.617 4.864 1.00 0.00 H new ATOM 0 HB3 LYS A 19 23.298 -6.726 3.816 1.00 0.00 H new ATOM 0 HG2 LYS A 19 22.972 -4.931 1.937 1.00 0.00 H new ATOM 0 HG3 LYS A 19 22.514 -3.835 3.225 1.00 0.00 H new ATOM 0 HD2 LYS A 19 25.181 -5.285 2.889 1.00 0.00 H new ATOM 0 HD3 LYS A 19 24.904 -3.554 2.868 1.00 0.00 H new ATOM 0 HE2 LYS A 19 25.708 -3.895 5.067 1.00 0.00 H new ATOM 0 HE3 LYS A 19 23.973 -3.892 5.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 23.985 -6.044 5.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 24.992 -6.495 4.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 25.670 -5.896 6.035 1.00 0.00 H new ATOM 268 N LEU A 20 20.703 -6.065 0.929 1.00 0.00 N ATOM 269 CA LEU A 20 20.796 -6.373 -0.524 1.00 0.00 C ATOM 270 C LEU A 20 22.187 -5.949 -1.044 1.00 0.00 C ATOM 271 O LEU A 20 22.573 -4.817 -0.829 1.00 0.00 O ATOM 272 CB LEU A 20 19.734 -5.570 -1.285 1.00 0.00 C ATOM 273 CG LEU A 20 18.389 -5.648 -0.562 1.00 0.00 C ATOM 274 CD1 LEU A 20 17.323 -4.976 -1.426 1.00 0.00 C ATOM 275 CD2 LEU A 20 18.005 -7.112 -0.330 1.00 0.00 C ATOM 0 H LEU A 20 20.112 -5.269 1.169 1.00 0.00 H new ATOM 0 HA LEU A 20 20.641 -7.441 -0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.048 -4.530 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.633 -5.958 -2.299 1.00 0.00 H new ATOM 0 HG LEU A 20 18.464 -5.143 0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.359 -5.026 -0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.593 -3.933 -1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.256 -5.489 -2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.046 -7.159 0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.927 -7.624 -1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.768 -7.596 0.279 1.00 0.00 H new ATOM 287 N PRO A 21 22.912 -6.821 -1.727 1.00 0.00 N ATOM 288 CA PRO A 21 24.231 -6.436 -2.257 1.00 0.00 C ATOM 289 C PRO A 21 24.082 -5.188 -3.128 1.00 0.00 C ATOM 290 O PRO A 21 23.111 -5.036 -3.841 1.00 0.00 O ATOM 291 CB PRO A 21 24.695 -7.644 -3.103 1.00 0.00 C ATOM 292 CG PRO A 21 23.674 -8.794 -2.863 1.00 0.00 C ATOM 293 CD PRO A 21 22.512 -8.216 -2.027 1.00 0.00 C ATOM 0 HA PRO A 21 24.950 -6.201 -1.472 1.00 0.00 H new ATOM 0 HB2 PRO A 21 24.736 -7.380 -4.160 1.00 0.00 H new ATOM 0 HB3 PRO A 21 25.699 -7.954 -2.813 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.306 -9.185 -3.812 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.148 -9.624 -2.339 1.00 0.00 H new ATOM 0 HD2 PRO A 21 21.574 -8.247 -2.581 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.361 -8.789 -1.112 1.00 0.00 H new ATOM 301 N ARG A 22 25.036 -4.304 -3.094 1.00 0.00 N ATOM 302 CA ARG A 22 24.937 -3.090 -3.948 1.00 0.00 C ATOM 303 C ARG A 22 24.626 -3.537 -5.378 1.00 0.00 C ATOM 304 O ARG A 22 23.906 -2.884 -6.110 1.00 0.00 O ATOM 305 CB ARG A 22 26.266 -2.325 -3.912 1.00 0.00 C ATOM 306 CG ARG A 22 26.244 -1.167 -4.921 1.00 0.00 C ATOM 307 CD ARG A 22 25.011 -0.287 -4.689 1.00 0.00 C ATOM 308 NE ARG A 22 25.251 1.064 -5.271 1.00 0.00 N ATOM 309 CZ ARG A 22 24.250 1.878 -5.462 1.00 0.00 C ATOM 310 NH1 ARG A 22 23.039 1.509 -5.143 1.00 0.00 N ATOM 311 NH2 ARG A 22 24.458 3.063 -5.969 1.00 0.00 N ATOM 0 H ARG A 22 25.875 -4.367 -2.517 1.00 0.00 H new ATOM 0 HA ARG A 22 24.148 -2.431 -3.584 1.00 0.00 H new ATOM 0 HB2 ARG A 22 26.443 -1.938 -2.908 1.00 0.00 H new ATOM 0 HB3 ARG A 22 27.089 -3.002 -4.143 1.00 0.00 H new ATOM 0 HG2 ARG A 22 27.150 -0.570 -4.820 1.00 0.00 H new ATOM 0 HG3 ARG A 22 26.233 -1.561 -5.937 1.00 0.00 H new ATOM 0 HD2 ARG A 22 24.134 -0.742 -5.148 1.00 0.00 H new ATOM 0 HD3 ARG A 22 24.805 -0.204 -3.622 1.00 0.00 H new ATOM 0 HE ARG A 22 26.197 1.352 -5.520 1.00 0.00 H new ATOM 0 HH11 ARG A 22 22.876 0.584 -4.744 1.00 0.00 H new ATOM 0 HH12 ARG A 22 22.256 2.145 -5.292 1.00 0.00 H new ATOM 0 HH21 ARG A 22 25.404 3.353 -6.216 1.00 0.00 H new ATOM 0 HH22 ARG A 22 23.674 3.699 -6.118 1.00 0.00 H new ATOM 325 N ASN A 23 25.165 -4.661 -5.772 1.00 0.00 N ATOM 326 CA ASN A 23 24.909 -5.178 -7.146 1.00 0.00 C ATOM 327 C ASN A 23 23.483 -5.728 -7.232 1.00 0.00 C ATOM 328 O ASN A 23 23.157 -6.485 -8.125 1.00 0.00 O ATOM 329 CB ASN A 23 25.906 -6.296 -7.461 1.00 0.00 C ATOM 330 CG ASN A 23 25.679 -6.794 -8.889 1.00 0.00 C ATOM 331 OD1 ASN A 23 25.698 -7.983 -9.140 1.00 0.00 O ATOM 332 ND2 ASN A 23 25.463 -5.930 -9.843 1.00 0.00 N ATOM 0 H ASN A 23 25.774 -5.244 -5.198 1.00 0.00 H new ATOM 0 HA ASN A 23 25.027 -4.368 -7.866 1.00 0.00 H new ATOM 0 HB2 ASN A 23 26.927 -5.930 -7.350 1.00 0.00 H new ATOM 0 HB3 ASN A 23 25.784 -7.117 -6.754 1.00 0.00 H new ATOM 0 HD21 ASN A 23 25.310 -6.253 -10.798 1.00 0.00 H new ATOM 0 HD22 ASN A 23 25.447 -4.932 -9.633 1.00 0.00 H new ATOM 339 N PHE A 24 22.630 -5.362 -6.308 1.00 0.00 N ATOM 340 CA PHE A 24 21.222 -5.873 -6.332 1.00 0.00 C ATOM 341 C PHE A 24 20.272 -4.736 -5.945 1.00 0.00 C ATOM 342 O PHE A 24 19.215 -4.955 -5.388 1.00 0.00 O ATOM 343 CB PHE A 24 21.088 -7.031 -5.329 1.00 0.00 C ATOM 344 CG PHE A 24 19.903 -7.906 -5.684 1.00 0.00 C ATOM 345 CD1 PHE A 24 19.869 -8.574 -6.926 1.00 0.00 C ATOM 346 CD2 PHE A 24 18.839 -8.066 -4.772 1.00 0.00 C ATOM 347 CE1 PHE A 24 18.775 -9.393 -7.255 1.00 0.00 C ATOM 348 CE2 PHE A 24 17.745 -8.886 -5.104 1.00 0.00 C ATOM 349 CZ PHE A 24 17.713 -9.550 -6.345 1.00 0.00 C ATOM 0 H PHE A 24 22.847 -4.731 -5.537 1.00 0.00 H new ATOM 0 HA PHE A 24 20.970 -6.231 -7.330 1.00 0.00 H new ATOM 0 HB2 PHE A 24 22.001 -7.627 -5.329 1.00 0.00 H new ATOM 0 HB3 PHE A 24 20.966 -6.635 -4.321 1.00 0.00 H new ATOM 0 HD1 PHE A 24 20.684 -8.456 -7.625 1.00 0.00 H new ATOM 0 HD2 PHE A 24 18.864 -7.559 -3.819 1.00 0.00 H new ATOM 0 HE1 PHE A 24 18.749 -9.902 -8.207 1.00 0.00 H new ATOM 0 HE2 PHE A 24 16.929 -9.006 -4.406 1.00 0.00 H new ATOM 0 HZ PHE A 24 16.873 -10.180 -6.599 1.00 0.00 H new ATOM 359 N VAL A 25 20.645 -3.524 -6.251 1.00 0.00 N ATOM 360 CA VAL A 25 19.776 -2.356 -5.924 1.00 0.00 C ATOM 361 C VAL A 25 19.983 -1.298 -6.998 1.00 0.00 C ATOM 362 O VAL A 25 20.817 -0.421 -6.887 1.00 0.00 O ATOM 363 CB VAL A 25 20.149 -1.796 -4.550 1.00 0.00 C ATOM 364 CG1 VAL A 25 19.191 -0.662 -4.181 1.00 0.00 C ATOM 365 CG2 VAL A 25 20.039 -2.909 -3.505 1.00 0.00 C ATOM 0 H VAL A 25 21.521 -3.290 -6.717 1.00 0.00 H new ATOM 0 HA VAL A 25 18.729 -2.659 -5.895 1.00 0.00 H new ATOM 0 HB VAL A 25 21.170 -1.415 -4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 25 19.458 -0.264 -3.202 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.261 0.130 -4.926 1.00 0.00 H new ATOM 0 HG13 VAL A 25 18.170 -1.043 -4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 25 20.304 -2.515 -2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 25 19.016 -3.285 -3.481 1.00 0.00 H new ATOM 0 HG23 VAL A 25 20.718 -3.721 -3.765 1.00 0.00 H new ATOM 375 N VAL A 26 19.229 -1.402 -8.049 1.00 0.00 N ATOM 376 CA VAL A 26 19.350 -0.445 -9.176 1.00 0.00 C ATOM 377 C VAL A 26 18.592 0.841 -8.843 1.00 0.00 C ATOM 378 O VAL A 26 18.773 1.860 -9.479 1.00 0.00 O ATOM 379 CB VAL A 26 18.753 -1.112 -10.426 1.00 0.00 C ATOM 380 CG1 VAL A 26 17.507 -1.914 -10.026 1.00 0.00 C ATOM 381 CG2 VAL A 26 18.372 -0.060 -11.472 1.00 0.00 C ATOM 0 H VAL A 26 18.520 -2.124 -8.177 1.00 0.00 H new ATOM 0 HA VAL A 26 20.394 -0.187 -9.354 1.00 0.00 H new ATOM 0 HB VAL A 26 19.500 -1.777 -10.860 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.081 -2.389 -10.910 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.784 -2.679 -9.301 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.770 -1.244 -9.583 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.952 -0.554 -12.348 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.633 0.622 -11.050 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.260 0.502 -11.763 1.00 0.00 H new ATOM 391 N ASP A 27 17.740 0.801 -7.863 1.00 0.00 N ATOM 392 CA ASP A 27 16.971 2.021 -7.513 1.00 0.00 C ATOM 393 C ASP A 27 16.229 1.787 -6.200 1.00 0.00 C ATOM 394 O ASP A 27 16.411 0.779 -5.547 1.00 0.00 O ATOM 395 CB ASP A 27 15.965 2.306 -8.635 1.00 0.00 C ATOM 396 CG ASP A 27 15.488 3.758 -8.547 1.00 0.00 C ATOM 397 OD1 ASP A 27 16.309 4.614 -8.259 1.00 0.00 O ATOM 398 OD2 ASP A 27 14.311 3.989 -8.768 1.00 0.00 O ATOM 0 H ASP A 27 17.543 -0.020 -7.291 1.00 0.00 H new ATOM 0 HA ASP A 27 17.643 2.871 -7.398 1.00 0.00 H new ATOM 0 HB2 ASP A 27 16.427 2.124 -9.605 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.115 1.629 -8.554 1.00 0.00 H new ATOM 403 N TYR A 28 15.391 2.704 -5.806 1.00 0.00 N ATOM 404 CA TYR A 28 14.640 2.519 -4.536 1.00 0.00 C ATOM 405 C TYR A 28 13.364 3.354 -4.557 1.00 0.00 C ATOM 406 O TYR A 28 13.024 3.976 -5.542 1.00 0.00 O ATOM 407 CB TYR A 28 15.514 2.917 -3.341 1.00 0.00 C ATOM 408 CG TYR A 28 15.658 4.425 -3.256 1.00 0.00 C ATOM 409 CD1 TYR A 28 16.299 5.135 -4.291 1.00 0.00 C ATOM 410 CD2 TYR A 28 15.165 5.116 -2.130 1.00 0.00 C ATOM 411 CE1 TYR A 28 16.444 6.532 -4.200 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.309 6.511 -2.039 1.00 0.00 C ATOM 413 CZ TYR A 28 15.949 7.221 -3.074 1.00 0.00 C ATOM 414 OH TYR A 28 16.092 8.591 -2.986 1.00 0.00 O ATOM 0 H TYR A 28 15.195 3.570 -6.307 1.00 0.00 H new ATOM 0 HA TYR A 28 14.371 1.467 -4.436 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.073 2.537 -2.420 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.498 2.458 -3.436 1.00 0.00 H new ATOM 0 HD1 TYR A 28 16.679 4.607 -5.153 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.676 4.572 -1.336 1.00 0.00 H new ATOM 0 HE1 TYR A 28 16.935 7.076 -4.993 1.00 0.00 H new ATOM 0 HE2 TYR A 28 14.929 7.038 -1.176 1.00 0.00 H new ATOM 0 HH TYR A 28 17.041 8.826 -3.058 1.00 0.00 H new ATOM 424 N TYR A 29 12.653 3.349 -3.473 1.00 0.00 N ATOM 425 CA TYR A 29 11.383 4.112 -3.399 1.00 0.00 C ATOM 426 C TYR A 29 11.014 4.295 -1.921 1.00 0.00 C ATOM 427 O TYR A 29 11.178 3.396 -1.125 1.00 0.00 O ATOM 428 CB TYR A 29 10.303 3.309 -4.146 1.00 0.00 C ATOM 429 CG TYR A 29 8.921 3.750 -3.725 1.00 0.00 C ATOM 430 CD1 TYR A 29 8.425 4.995 -4.145 1.00 0.00 C ATOM 431 CD2 TYR A 29 8.134 2.912 -2.913 1.00 0.00 C ATOM 432 CE1 TYR A 29 7.138 5.408 -3.751 1.00 0.00 C ATOM 433 CE2 TYR A 29 6.846 3.322 -2.520 1.00 0.00 C ATOM 434 CZ TYR A 29 6.348 4.572 -2.938 1.00 0.00 C ATOM 435 OH TYR A 29 5.087 4.977 -2.552 1.00 0.00 O ATOM 0 H TYR A 29 12.900 2.842 -2.623 1.00 0.00 H new ATOM 0 HA TYR A 29 11.475 5.096 -3.859 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.421 3.444 -5.221 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.428 2.245 -3.943 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.030 5.635 -4.770 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.518 1.955 -2.592 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.756 6.366 -4.072 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.240 2.679 -1.899 1.00 0.00 H new ATOM 0 HH TYR A 29 4.677 4.283 -1.995 1.00 0.00 H new ATOM 445 N GLU A 30 10.518 5.444 -1.544 1.00 0.00 N ATOM 446 CA GLU A 30 10.143 5.664 -0.111 1.00 0.00 C ATOM 447 C GLU A 30 8.642 5.412 0.065 1.00 0.00 C ATOM 448 O GLU A 30 7.872 5.499 -0.870 1.00 0.00 O ATOM 449 CB GLU A 30 10.475 7.103 0.288 1.00 0.00 C ATOM 450 CG GLU A 30 11.983 7.241 0.510 1.00 0.00 C ATOM 451 CD GLU A 30 12.340 8.716 0.700 1.00 0.00 C ATOM 452 OE1 GLU A 30 12.288 9.448 -0.274 1.00 0.00 O ATOM 453 OE2 GLU A 30 12.659 9.088 1.817 1.00 0.00 O ATOM 0 H GLU A 30 10.356 6.239 -2.162 1.00 0.00 H new ATOM 0 HA GLU A 30 10.702 4.977 0.524 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.148 7.791 -0.491 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.938 7.372 1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.286 6.667 1.386 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.525 6.832 -0.342 1.00 0.00 H new ATOM 460 N THR A 31 8.226 5.088 1.259 1.00 0.00 N ATOM 461 CA THR A 31 6.779 4.814 1.508 1.00 0.00 C ATOM 462 C THR A 31 5.977 6.114 1.490 1.00 0.00 C ATOM 463 O THR A 31 6.447 7.146 1.055 1.00 0.00 O ATOM 464 CB THR A 31 6.628 4.160 2.882 1.00 0.00 C ATOM 465 OG1 THR A 31 7.340 4.928 3.835 1.00 0.00 O ATOM 466 CG2 THR A 31 7.187 2.735 2.831 1.00 0.00 C ATOM 0 H THR A 31 8.828 5.001 2.078 1.00 0.00 H new ATOM 0 HA THR A 31 6.404 4.154 0.725 1.00 0.00 H new ATOM 0 HB THR A 31 5.576 4.117 3.164 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.241 5.881 3.627 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.080 2.267 3.810 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.638 2.155 2.090 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.242 2.767 2.557 1.00 0.00 H new ATOM 474 N SER A 32 4.762 6.062 1.967 1.00 0.00 N ATOM 475 CA SER A 32 3.905 7.280 1.996 1.00 0.00 C ATOM 476 C SER A 32 4.166 8.054 3.286 1.00 0.00 C ATOM 477 O SER A 32 5.273 8.108 3.782 1.00 0.00 O ATOM 478 CB SER A 32 2.434 6.864 1.947 1.00 0.00 C ATOM 479 OG SER A 32 1.629 8.010 1.705 1.00 0.00 O ATOM 0 H SER A 32 4.324 5.220 2.341 1.00 0.00 H new ATOM 0 HA SER A 32 4.138 7.910 1.138 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.279 6.124 1.161 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.145 6.395 2.888 1.00 0.00 H new ATOM 0 HG SER A 32 0.823 7.746 1.213 1.00 0.00 H new ATOM 485 N SER A 33 3.145 8.655 3.831 1.00 0.00 N ATOM 486 CA SER A 33 3.305 9.437 5.094 1.00 0.00 C ATOM 487 C SER A 33 2.072 9.217 5.966 1.00 0.00 C ATOM 488 O SER A 33 2.154 9.157 7.177 1.00 0.00 O ATOM 489 CB SER A 33 3.411 10.919 4.752 1.00 0.00 C ATOM 490 OG SER A 33 2.108 11.446 4.539 1.00 0.00 O ATOM 0 H SER A 33 2.197 8.639 3.454 1.00 0.00 H new ATOM 0 HA SER A 33 4.202 9.114 5.623 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.905 11.456 5.561 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.021 11.055 3.859 1.00 0.00 H new ATOM 0 HG SER A 33 2.172 12.399 4.321 1.00 0.00 H new ATOM 496 N LEU A 34 0.932 9.106 5.341 1.00 0.00 N ATOM 497 CA LEU A 34 -0.342 8.892 6.090 1.00 0.00 C ATOM 498 C LEU A 34 -0.121 7.922 7.251 1.00 0.00 C ATOM 499 O LEU A 34 -0.390 8.232 8.395 1.00 0.00 O ATOM 500 CB LEU A 34 -1.392 8.304 5.146 1.00 0.00 C ATOM 501 CG LEU A 34 -1.346 9.017 3.793 1.00 0.00 C ATOM 502 CD1 LEU A 34 -2.517 8.544 2.929 1.00 0.00 C ATOM 503 CD2 LEU A 34 -1.441 10.531 4.007 1.00 0.00 C ATOM 0 H LEU A 34 0.827 9.155 4.328 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.682 9.850 6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.212 7.238 5.009 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.384 8.406 5.585 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.407 8.784 3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.486 9.051 1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.444 7.467 2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.456 8.776 3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.408 11.038 3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.378 10.769 4.510 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.604 10.865 4.621 1.00 0.00 H new ATOM 515 N CYS A 35 0.359 6.748 6.961 1.00 0.00 N ATOM 516 CA CYS A 35 0.590 5.756 8.044 1.00 0.00 C ATOM 517 C CYS A 35 1.767 6.219 8.911 1.00 0.00 C ATOM 518 O CYS A 35 2.814 6.577 8.417 1.00 0.00 O ATOM 519 CB CYS A 35 0.889 4.383 7.431 1.00 0.00 C ATOM 520 SG CYS A 35 1.941 4.575 5.972 1.00 0.00 S ATOM 0 H CYS A 35 0.601 6.432 6.022 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.302 5.675 8.666 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.384 3.747 8.165 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.042 3.887 7.156 1.00 0.00 H new ATOM 525 N SER A 36 1.584 6.240 10.202 1.00 0.00 N ATOM 526 CA SER A 36 2.671 6.697 11.118 1.00 0.00 C ATOM 527 C SER A 36 3.873 5.738 11.094 1.00 0.00 C ATOM 528 O SER A 36 4.555 5.586 12.087 1.00 0.00 O ATOM 529 CB SER A 36 2.123 6.772 12.543 1.00 0.00 C ATOM 530 OG SER A 36 2.089 5.466 13.102 1.00 0.00 O ATOM 0 H SER A 36 0.721 5.958 10.667 1.00 0.00 H new ATOM 0 HA SER A 36 3.010 7.676 10.781 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.749 7.424 13.152 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.122 7.204 12.538 1.00 0.00 H new ATOM 0 HG SER A 36 3.003 5.164 13.284 1.00 0.00 H new ATOM 536 N GLN A 37 4.155 5.086 9.993 1.00 0.00 N ATOM 537 CA GLN A 37 5.329 4.153 9.981 1.00 0.00 C ATOM 538 C GLN A 37 5.885 3.983 8.558 1.00 0.00 C ATOM 539 O GLN A 37 5.806 2.907 8.004 1.00 0.00 O ATOM 540 CB GLN A 37 4.892 2.787 10.519 1.00 0.00 C ATOM 541 CG GLN A 37 3.568 2.375 9.872 1.00 0.00 C ATOM 542 CD GLN A 37 3.278 0.909 10.197 1.00 0.00 C ATOM 543 OE1 GLN A 37 3.688 0.409 11.226 1.00 0.00 O ATOM 544 NE2 GLN A 37 2.581 0.193 9.357 1.00 0.00 N ATOM 0 H GLN A 37 3.636 5.155 9.117 1.00 0.00 H new ATOM 0 HA GLN A 37 6.113 4.575 10.610 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.658 2.041 10.308 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.780 2.831 11.602 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.759 3.007 10.239 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.619 2.516 8.792 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.237 0.612 8.493 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.381 -0.785 9.565 1.00 0.00 H new ATOM 553 N PRO A 38 6.455 5.036 8.011 1.00 0.00 N ATOM 554 CA PRO A 38 7.048 4.981 6.660 1.00 0.00 C ATOM 555 C PRO A 38 8.320 4.120 6.702 1.00 0.00 C ATOM 556 O PRO A 38 8.734 3.652 7.743 1.00 0.00 O ATOM 557 CB PRO A 38 7.381 6.452 6.318 1.00 0.00 C ATOM 558 CG PRO A 38 7.162 7.292 7.612 1.00 0.00 C ATOM 559 CD PRO A 38 6.547 6.355 8.676 1.00 0.00 C ATOM 0 HA PRO A 38 6.386 4.539 5.915 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.411 6.542 5.972 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.741 6.813 5.513 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.107 7.705 7.965 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.500 8.135 7.414 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.172 6.306 9.568 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.566 6.707 8.993 1.00 0.00 H new ATOM 567 N ALA A 39 8.938 3.922 5.575 1.00 0.00 N ATOM 568 CA ALA A 39 10.179 3.111 5.521 1.00 0.00 C ATOM 569 C ALA A 39 10.804 3.294 4.139 1.00 0.00 C ATOM 570 O ALA A 39 10.203 3.879 3.260 1.00 0.00 O ATOM 571 CB ALA A 39 9.840 1.635 5.741 1.00 0.00 C ATOM 0 H ALA A 39 8.630 4.294 4.676 1.00 0.00 H new ATOM 0 HA ALA A 39 10.874 3.430 6.297 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.754 1.042 5.701 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.370 1.511 6.716 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.155 1.299 4.963 1.00 0.00 H new ATOM 577 N VAL A 40 11.988 2.786 3.926 1.00 0.00 N ATOM 578 CA VAL A 40 12.626 2.923 2.581 1.00 0.00 C ATOM 579 C VAL A 40 12.395 1.621 1.819 1.00 0.00 C ATOM 580 O VAL A 40 12.385 0.551 2.396 1.00 0.00 O ATOM 581 CB VAL A 40 14.131 3.178 2.741 1.00 0.00 C ATOM 582 CG1 VAL A 40 14.847 2.932 1.408 1.00 0.00 C ATOM 583 CG2 VAL A 40 14.350 4.630 3.162 1.00 0.00 C ATOM 0 H VAL A 40 12.541 2.284 4.621 1.00 0.00 H new ATOM 0 HA VAL A 40 12.192 3.762 2.037 1.00 0.00 H new ATOM 0 HB VAL A 40 14.532 2.503 3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.915 3.115 1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 40 14.689 1.900 1.095 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.447 3.606 0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.417 4.818 3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.945 5.295 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.844 4.814 4.110 1.00 0.00 H new ATOM 593 N VAL A 41 12.198 1.709 0.530 1.00 0.00 N ATOM 594 CA VAL A 41 11.948 0.482 -0.293 1.00 0.00 C ATOM 595 C VAL A 41 13.023 0.356 -1.375 1.00 0.00 C ATOM 596 O VAL A 41 13.139 1.191 -2.244 1.00 0.00 O ATOM 597 CB VAL A 41 10.562 0.584 -0.936 1.00 0.00 C ATOM 598 CG1 VAL A 41 10.100 -0.800 -1.389 1.00 0.00 C ATOM 599 CG2 VAL A 41 9.571 1.132 0.094 1.00 0.00 C ATOM 0 H VAL A 41 12.199 2.584 0.005 1.00 0.00 H new ATOM 0 HA VAL A 41 11.987 -0.402 0.343 1.00 0.00 H new ATOM 0 HB VAL A 41 10.610 1.249 -1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.113 -0.723 -1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.807 -1.199 -2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.050 -1.467 -0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.582 1.207 -0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.529 0.460 0.951 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.896 2.119 0.422 1.00 0.00 H new ATOM 609 N PHE A 42 13.815 -0.683 -1.329 1.00 0.00 N ATOM 610 CA PHE A 42 14.886 -0.851 -2.357 1.00 0.00 C ATOM 611 C PHE A 42 14.349 -1.636 -3.556 1.00 0.00 C ATOM 612 O PHE A 42 13.693 -2.648 -3.409 1.00 0.00 O ATOM 613 CB PHE A 42 16.066 -1.619 -1.750 1.00 0.00 C ATOM 614 CG PHE A 42 16.848 -0.717 -0.821 1.00 0.00 C ATOM 615 CD1 PHE A 42 17.522 0.409 -1.335 1.00 0.00 C ATOM 616 CD2 PHE A 42 16.914 -1.008 0.556 1.00 0.00 C ATOM 617 CE1 PHE A 42 18.258 1.244 -0.471 1.00 0.00 C ATOM 618 CE2 PHE A 42 17.650 -0.174 1.418 1.00 0.00 C ATOM 619 CZ PHE A 42 18.321 0.952 0.904 1.00 0.00 C ATOM 0 H PHE A 42 13.767 -1.421 -0.626 1.00 0.00 H new ATOM 0 HA PHE A 42 15.212 0.136 -2.686 1.00 0.00 H new ATOM 0 HB2 PHE A 42 15.702 -2.489 -1.204 1.00 0.00 H new ATOM 0 HB3 PHE A 42 16.716 -1.989 -2.543 1.00 0.00 H new ATOM 0 HD1 PHE A 42 17.474 0.632 -2.391 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.399 -1.872 0.950 1.00 0.00 H new ATOM 0 HE1 PHE A 42 18.774 2.108 -0.864 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.700 -0.398 2.473 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.885 1.592 1.566 1.00 0.00 H new ATOM 629 N GLN A 43 14.652 -1.181 -4.742 1.00 0.00 N ATOM 630 CA GLN A 43 14.200 -1.891 -5.974 1.00 0.00 C ATOM 631 C GLN A 43 15.385 -2.707 -6.501 1.00 0.00 C ATOM 632 O GLN A 43 16.442 -2.166 -6.763 1.00 0.00 O ATOM 633 CB GLN A 43 13.767 -0.852 -7.010 1.00 0.00 C ATOM 634 CG GLN A 43 12.522 -0.118 -6.505 1.00 0.00 C ATOM 635 CD GLN A 43 12.280 1.126 -7.361 1.00 0.00 C ATOM 636 OE1 GLN A 43 11.408 1.135 -8.206 1.00 0.00 O ATOM 637 NE2 GLN A 43 13.019 2.184 -7.176 1.00 0.00 N ATOM 0 H GLN A 43 15.200 -0.338 -4.912 1.00 0.00 H new ATOM 0 HA GLN A 43 13.358 -2.552 -5.767 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.574 -0.142 -7.188 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.555 -1.338 -7.962 1.00 0.00 H new ATOM 0 HG2 GLN A 43 11.655 -0.777 -6.550 1.00 0.00 H new ATOM 0 HG3 GLN A 43 12.653 0.166 -5.461 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.752 2.177 -6.466 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.865 3.019 -7.741 1.00 0.00 H new ATOM 646 N THR A 44 15.247 -4.010 -6.614 1.00 0.00 N ATOM 647 CA THR A 44 16.408 -4.846 -7.073 1.00 0.00 C ATOM 648 C THR A 44 16.335 -5.161 -8.568 1.00 0.00 C ATOM 649 O THR A 44 15.518 -4.637 -9.299 1.00 0.00 O ATOM 650 CB THR A 44 16.419 -6.161 -6.293 1.00 0.00 C ATOM 651 OG1 THR A 44 15.472 -7.053 -6.863 1.00 0.00 O ATOM 652 CG2 THR A 44 16.056 -5.893 -4.832 1.00 0.00 C ATOM 0 H THR A 44 14.391 -4.526 -6.411 1.00 0.00 H new ATOM 0 HA THR A 44 17.319 -4.275 -6.892 1.00 0.00 H new ATOM 0 HB THR A 44 17.413 -6.605 -6.341 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.602 -7.950 -6.491 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.064 -6.831 -4.277 1.00 0.00 H new ATOM 0 HG22 THR A 44 16.783 -5.207 -4.396 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.062 -5.449 -4.780 1.00 0.00 H new ATOM 660 N LYS A 45 17.221 -6.018 -9.013 1.00 0.00 N ATOM 661 CA LYS A 45 17.279 -6.404 -10.452 1.00 0.00 C ATOM 662 C LYS A 45 16.543 -7.730 -10.680 1.00 0.00 C ATOM 663 O LYS A 45 16.163 -8.046 -11.790 1.00 0.00 O ATOM 664 CB LYS A 45 18.751 -6.572 -10.851 1.00 0.00 C ATOM 665 CG LYS A 45 19.576 -5.433 -10.251 1.00 0.00 C ATOM 666 CD LYS A 45 21.012 -5.517 -10.769 1.00 0.00 C ATOM 667 CE LYS A 45 21.785 -4.268 -10.338 1.00 0.00 C ATOM 668 NZ LYS A 45 23.244 -4.495 -10.535 1.00 0.00 N ATOM 0 H LYS A 45 17.919 -6.474 -8.425 1.00 0.00 H new ATOM 0 HA LYS A 45 16.802 -5.630 -11.054 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.127 -7.532 -10.498 1.00 0.00 H new ATOM 0 HB3 LYS A 45 18.847 -6.572 -11.937 1.00 0.00 H new ATOM 0 HG2 LYS A 45 19.137 -4.472 -10.518 1.00 0.00 H new ATOM 0 HG3 LYS A 45 19.566 -5.496 -9.163 1.00 0.00 H new ATOM 0 HD2 LYS A 45 21.499 -6.411 -10.379 1.00 0.00 H new ATOM 0 HD3 LYS A 45 21.013 -5.601 -11.856 1.00 0.00 H new ATOM 0 HE2 LYS A 45 21.458 -3.406 -10.920 1.00 0.00 H new ATOM 0 HE3 LYS A 45 21.579 -4.043 -9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 23.742 -4.356 -9.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 23.402 -5.466 -10.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 23.608 -3.821 -11.239 1.00 0.00 H new ATOM 682 N ARG A 46 16.346 -8.516 -9.645 1.00 0.00 N ATOM 683 CA ARG A 46 15.640 -9.831 -9.813 1.00 0.00 C ATOM 684 C ARG A 46 14.623 -9.995 -8.680 1.00 0.00 C ATOM 685 O ARG A 46 14.619 -10.973 -7.965 1.00 0.00 O ATOM 686 CB ARG A 46 16.674 -10.975 -9.765 1.00 0.00 C ATOM 687 CG ARG A 46 16.136 -12.247 -10.460 1.00 0.00 C ATOM 688 CD ARG A 46 15.171 -13.019 -9.548 1.00 0.00 C ATOM 689 NE ARG A 46 15.072 -14.429 -10.018 1.00 0.00 N ATOM 690 CZ ARG A 46 14.572 -15.344 -9.232 1.00 0.00 C ATOM 691 NH1 ARG A 46 14.167 -15.026 -8.033 1.00 0.00 N ATOM 692 NH2 ARG A 46 14.481 -16.580 -9.645 1.00 0.00 N ATOM 0 H ARG A 46 16.643 -8.305 -8.692 1.00 0.00 H new ATOM 0 HA ARG A 46 15.123 -9.860 -10.772 1.00 0.00 H new ATOM 0 HB2 ARG A 46 17.596 -10.655 -10.250 1.00 0.00 H new ATOM 0 HB3 ARG A 46 16.921 -11.201 -8.728 1.00 0.00 H new ATOM 0 HG2 ARG A 46 15.625 -11.971 -11.382 1.00 0.00 H new ATOM 0 HG3 ARG A 46 16.970 -12.891 -10.738 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.525 -12.991 -8.518 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.187 -12.550 -9.560 1.00 0.00 H new ATOM 0 HE ARG A 46 15.394 -14.679 -10.953 1.00 0.00 H new ATOM 0 HH11 ARG A 46 14.241 -14.062 -7.709 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.777 -15.742 -7.420 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.800 -16.830 -10.581 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.091 -17.295 -9.032 1.00 0.00 H new ATOM 706 N SER A 47 13.755 -9.039 -8.519 1.00 0.00 N ATOM 707 CA SER A 47 12.729 -9.127 -7.456 1.00 0.00 C ATOM 708 C SER A 47 11.680 -8.046 -7.722 1.00 0.00 C ATOM 709 O SER A 47 11.049 -8.031 -8.760 1.00 0.00 O ATOM 710 CB SER A 47 13.383 -8.950 -6.076 1.00 0.00 C ATOM 711 OG SER A 47 14.648 -9.596 -6.071 1.00 0.00 O ATOM 0 H SER A 47 13.715 -8.192 -9.087 1.00 0.00 H new ATOM 0 HA SER A 47 12.248 -10.105 -7.462 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.502 -7.890 -5.850 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.743 -9.371 -5.301 1.00 0.00 H new ATOM 0 HG SER A 47 14.547 -10.515 -6.397 1.00 0.00 H new ATOM 717 N LYS A 48 11.497 -7.139 -6.818 1.00 0.00 N ATOM 718 CA LYS A 48 10.501 -6.055 -7.029 1.00 0.00 C ATOM 719 C LYS A 48 10.890 -4.888 -6.134 1.00 0.00 C ATOM 720 O LYS A 48 11.826 -4.163 -6.409 1.00 0.00 O ATOM 721 CB LYS A 48 9.101 -6.555 -6.650 1.00 0.00 C ATOM 722 CG LYS A 48 8.619 -7.590 -7.671 1.00 0.00 C ATOM 723 CD LYS A 48 7.111 -7.800 -7.516 1.00 0.00 C ATOM 724 CE LYS A 48 6.620 -8.780 -8.583 1.00 0.00 C ATOM 725 NZ LYS A 48 6.821 -8.185 -9.934 1.00 0.00 N ATOM 0 H LYS A 48 11.998 -7.097 -5.930 1.00 0.00 H new ATOM 0 HA LYS A 48 10.487 -5.747 -8.075 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.121 -6.997 -5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.405 -5.717 -6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.847 -7.252 -8.682 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.145 -8.533 -7.524 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.887 -8.186 -6.522 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.589 -6.848 -7.613 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.163 -9.722 -8.504 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.565 -9.006 -8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.168 -8.630 -10.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.634 -7.163 -9.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.801 -8.346 -10.242 1.00 0.00 H new ATOM 739 N GLN A 49 10.188 -4.729 -5.046 1.00 0.00 N ATOM 740 CA GLN A 49 10.494 -3.641 -4.073 1.00 0.00 C ATOM 741 C GLN A 49 10.749 -4.317 -2.716 1.00 0.00 C ATOM 742 O GLN A 49 10.126 -5.312 -2.391 1.00 0.00 O ATOM 743 CB GLN A 49 9.304 -2.644 -3.983 1.00 0.00 C ATOM 744 CG GLN A 49 8.342 -2.818 -5.169 1.00 0.00 C ATOM 745 CD GLN A 49 9.027 -2.360 -6.459 1.00 0.00 C ATOM 746 OE1 GLN A 49 9.362 -1.202 -6.601 1.00 0.00 O ATOM 747 NE2 GLN A 49 9.242 -3.222 -7.415 1.00 0.00 N ATOM 0 H GLN A 49 9.399 -5.320 -4.785 1.00 0.00 H new ATOM 0 HA GLN A 49 11.367 -3.068 -4.386 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.765 -2.800 -3.048 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.683 -1.622 -3.966 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.042 -3.862 -5.256 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.434 -2.238 -5.002 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.961 -4.195 -7.297 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.691 -2.922 -8.280 1.00 0.00 H new ATOM 756 N VAL A 50 11.671 -3.809 -1.934 1.00 0.00 N ATOM 757 CA VAL A 50 11.976 -4.447 -0.610 1.00 0.00 C ATOM 758 C VAL A 50 11.997 -3.391 0.481 1.00 0.00 C ATOM 759 O VAL A 50 12.797 -2.483 0.462 1.00 0.00 O ATOM 760 CB VAL A 50 13.347 -5.132 -0.685 1.00 0.00 C ATOM 761 CG1 VAL A 50 13.498 -6.103 0.493 1.00 0.00 C ATOM 762 CG2 VAL A 50 13.460 -5.888 -2.021 1.00 0.00 C ATOM 0 H VAL A 50 12.226 -2.982 -2.153 1.00 0.00 H new ATOM 0 HA VAL A 50 11.207 -5.183 -0.378 1.00 0.00 H new ATOM 0 HB VAL A 50 14.140 -4.387 -0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.472 -6.590 0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.418 -5.553 1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.712 -6.857 0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.432 -6.377 -2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.672 -6.638 -2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.356 -5.184 -2.847 1.00 0.00 H new ATOM 772 N CYS A 51 11.132 -3.520 1.444 1.00 0.00 N ATOM 773 CA CYS A 51 11.093 -2.530 2.549 1.00 0.00 C ATOM 774 C CYS A 51 12.317 -2.725 3.435 1.00 0.00 C ATOM 775 O CYS A 51 12.783 -3.829 3.633 1.00 0.00 O ATOM 776 CB CYS A 51 9.823 -2.747 3.371 1.00 0.00 C ATOM 777 SG CYS A 51 8.375 -2.316 2.373 1.00 0.00 S ATOM 0 H CYS A 51 10.447 -4.273 1.513 1.00 0.00 H new ATOM 0 HA CYS A 51 11.094 -1.518 2.144 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.759 -3.786 3.693 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.852 -2.135 4.272 1.00 0.00 H new ATOM 782 N ALA A 52 12.854 -1.653 3.957 1.00 0.00 N ATOM 783 CA ALA A 52 14.068 -1.755 4.822 1.00 0.00 C ATOM 784 C ALA A 52 13.915 -0.826 6.026 1.00 0.00 C ATOM 785 O ALA A 52 13.490 0.308 5.903 1.00 0.00 O ATOM 786 CB ALA A 52 15.297 -1.332 4.015 1.00 0.00 C ATOM 0 H ALA A 52 12.502 -0.705 3.821 1.00 0.00 H new ATOM 0 HA ALA A 52 14.186 -2.783 5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.186 -1.404 4.641 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.408 -1.987 3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.174 -0.303 3.677 1.00 0.00 H new ATOM 792 N ASP A 53 14.259 -1.302 7.191 1.00 0.00 N ATOM 793 CA ASP A 53 14.139 -0.457 8.412 1.00 0.00 C ATOM 794 C ASP A 53 15.160 0.705 8.334 1.00 0.00 C ATOM 795 O ASP A 53 16.346 0.443 8.303 1.00 0.00 O ATOM 796 CB ASP A 53 14.460 -1.313 9.640 1.00 0.00 C ATOM 797 CG ASP A 53 13.649 -2.608 9.588 1.00 0.00 C ATOM 798 OD1 ASP A 53 13.820 -3.354 8.638 1.00 0.00 O ATOM 799 OD2 ASP A 53 12.870 -2.833 10.500 1.00 0.00 O ATOM 0 H ASP A 53 14.619 -2.243 7.350 1.00 0.00 H new ATOM 0 HA ASP A 53 13.128 -0.056 8.484 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.526 -1.540 9.669 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.227 -0.762 10.551 1.00 0.00 H new ATOM 804 N PRO A 54 14.713 1.957 8.303 1.00 0.00 N ATOM 805 CA PRO A 54 15.658 3.091 8.229 1.00 0.00 C ATOM 806 C PRO A 54 16.591 3.080 9.450 1.00 0.00 C ATOM 807 O PRO A 54 17.505 3.874 9.554 1.00 0.00 O ATOM 808 CB PRO A 54 14.771 4.357 8.224 1.00 0.00 C ATOM 809 CG PRO A 54 13.287 3.892 8.267 1.00 0.00 C ATOM 810 CD PRO A 54 13.283 2.349 8.336 1.00 0.00 C ATOM 0 HA PRO A 54 16.294 3.044 7.345 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.000 4.988 9.083 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.960 4.953 7.331 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.778 4.315 9.133 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.752 4.237 7.382 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.799 1.996 9.247 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.737 1.918 7.497 1.00 0.00 H new ATOM 818 N SER A 55 16.353 2.198 10.378 1.00 0.00 N ATOM 819 CA SER A 55 17.209 2.148 11.598 1.00 0.00 C ATOM 820 C SER A 55 18.549 1.484 11.275 1.00 0.00 C ATOM 821 O SER A 55 19.522 1.660 11.981 1.00 0.00 O ATOM 822 CB SER A 55 16.494 1.343 12.685 1.00 0.00 C ATOM 823 OG SER A 55 17.360 1.186 13.801 1.00 0.00 O ATOM 0 H SER A 55 15.602 1.508 10.346 1.00 0.00 H new ATOM 0 HA SER A 55 17.391 3.164 11.948 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.580 1.853 12.989 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.201 0.367 12.297 1.00 0.00 H new ATOM 0 HG SER A 55 16.904 0.672 14.499 1.00 0.00 H new ATOM 829 N GLU A 56 18.618 0.725 10.214 1.00 0.00 N ATOM 830 CA GLU A 56 19.906 0.061 9.860 1.00 0.00 C ATOM 831 C GLU A 56 20.803 1.062 9.124 1.00 0.00 C ATOM 832 O GLU A 56 20.463 1.578 8.076 1.00 0.00 O ATOM 833 CB GLU A 56 19.630 -1.150 8.967 1.00 0.00 C ATOM 834 CG GLU A 56 19.186 -2.338 9.826 1.00 0.00 C ATOM 835 CD GLU A 56 20.395 -2.914 10.566 1.00 0.00 C ATOM 836 OE1 GLU A 56 21.321 -3.347 9.899 1.00 0.00 O ATOM 837 OE2 GLU A 56 20.374 -2.913 11.785 1.00 0.00 O ATOM 0 H GLU A 56 17.842 0.537 9.580 1.00 0.00 H new ATOM 0 HA GLU A 56 20.409 -0.275 10.767 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.857 -0.907 8.238 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.527 -1.411 8.405 1.00 0.00 H new ATOM 0 HG2 GLU A 56 18.427 -2.020 10.541 1.00 0.00 H new ATOM 0 HG3 GLU A 56 18.732 -3.104 9.198 1.00 0.00 H new ATOM 844 N SER A 57 21.941 1.347 9.686 1.00 0.00 N ATOM 845 CA SER A 57 22.883 2.321 9.068 1.00 0.00 C ATOM 846 C SER A 57 23.137 1.997 7.592 1.00 0.00 C ATOM 847 O SER A 57 23.247 2.887 6.772 1.00 0.00 O ATOM 848 CB SER A 57 24.210 2.284 9.825 1.00 0.00 C ATOM 849 OG SER A 57 24.928 1.113 9.457 1.00 0.00 O ATOM 0 H SER A 57 22.265 0.940 10.563 1.00 0.00 H new ATOM 0 HA SER A 57 22.435 3.313 9.127 1.00 0.00 H new ATOM 0 HB2 SER A 57 24.798 3.172 9.595 1.00 0.00 H new ATOM 0 HB3 SER A 57 24.029 2.291 10.900 1.00 0.00 H new ATOM 0 HG SER A 57 25.781 1.087 9.939 1.00 0.00 H new ATOM 855 N TRP A 58 23.258 0.747 7.236 1.00 0.00 N ATOM 856 CA TRP A 58 23.535 0.426 5.807 1.00 0.00 C ATOM 857 C TRP A 58 22.396 0.946 4.937 1.00 0.00 C ATOM 858 O TRP A 58 22.596 1.332 3.805 1.00 0.00 O ATOM 859 CB TRP A 58 23.745 -1.084 5.615 1.00 0.00 C ATOM 860 CG TRP A 58 22.450 -1.835 5.626 1.00 0.00 C ATOM 861 CD1 TRP A 58 22.016 -2.607 6.649 1.00 0.00 C ATOM 862 CD2 TRP A 58 21.437 -1.937 4.579 1.00 0.00 C ATOM 863 NE1 TRP A 58 20.804 -3.176 6.301 1.00 0.00 N ATOM 864 CE2 TRP A 58 20.399 -2.791 5.042 1.00 0.00 C ATOM 865 CE3 TRP A 58 21.311 -1.378 3.284 1.00 0.00 C ATOM 866 CZ2 TRP A 58 19.278 -3.080 4.252 1.00 0.00 C ATOM 867 CZ3 TRP A 58 20.184 -1.668 2.486 1.00 0.00 C ATOM 868 CH2 TRP A 58 19.168 -2.516 2.972 1.00 0.00 C ATOM 0 H TRP A 58 23.179 -0.055 7.862 1.00 0.00 H new ATOM 0 HA TRP A 58 24.458 0.920 5.502 1.00 0.00 H new ATOM 0 HB2 TRP A 58 24.259 -1.262 4.670 1.00 0.00 H new ATOM 0 HB3 TRP A 58 24.391 -1.464 6.406 1.00 0.00 H new ATOM 0 HD1 TRP A 58 22.532 -2.755 7.586 1.00 0.00 H new ATOM 0 HE1 TRP A 58 20.274 -3.805 6.904 1.00 0.00 H new ATOM 0 HE3 TRP A 58 22.083 -0.725 2.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 18.503 -3.733 4.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 20.099 -1.239 1.499 1.00 0.00 H new ATOM 0 HH2 TRP A 58 18.305 -2.731 2.359 1.00 0.00 H new ATOM 879 N VAL A 59 21.206 0.991 5.458 1.00 0.00 N ATOM 880 CA VAL A 59 20.078 1.514 4.648 1.00 0.00 C ATOM 881 C VAL A 59 20.327 2.990 4.372 1.00 0.00 C ATOM 882 O VAL A 59 20.183 3.459 3.262 1.00 0.00 O ATOM 883 CB VAL A 59 18.775 1.340 5.424 1.00 0.00 C ATOM 884 CG1 VAL A 59 17.609 1.929 4.623 1.00 0.00 C ATOM 885 CG2 VAL A 59 18.545 -0.151 5.657 1.00 0.00 C ATOM 0 H VAL A 59 20.967 0.691 6.403 1.00 0.00 H new ATOM 0 HA VAL A 59 20.002 0.971 3.706 1.00 0.00 H new ATOM 0 HB VAL A 59 18.838 1.860 6.380 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.682 1.802 5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.786 2.991 4.450 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.529 1.414 3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.617 -0.294 6.211 1.00 0.00 H new ATOM 0 HG22 VAL A 59 18.477 -0.663 4.697 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.376 -0.562 6.230 1.00 0.00 H new ATOM 895 N GLN A 60 20.721 3.722 5.371 1.00 0.00 N ATOM 896 CA GLN A 60 21.001 5.168 5.155 1.00 0.00 C ATOM 897 C GLN A 60 22.189 5.310 4.199 1.00 0.00 C ATOM 898 O GLN A 60 22.216 6.180 3.350 1.00 0.00 O ATOM 899 CB GLN A 60 21.336 5.830 6.494 1.00 0.00 C ATOM 900 CG GLN A 60 21.270 7.350 6.343 1.00 0.00 C ATOM 901 CD GLN A 60 19.808 7.791 6.255 1.00 0.00 C ATOM 902 OE1 GLN A 60 18.912 6.970 6.259 1.00 0.00 O ATOM 903 NE2 GLN A 60 19.525 9.063 6.174 1.00 0.00 N ATOM 0 H GLN A 60 20.861 3.386 6.324 1.00 0.00 H new ATOM 0 HA GLN A 60 20.125 5.653 4.725 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.635 5.499 7.260 1.00 0.00 H new ATOM 0 HB3 GLN A 60 22.331 5.529 6.821 1.00 0.00 H new ATOM 0 HG2 GLN A 60 21.756 7.832 7.192 1.00 0.00 H new ATOM 0 HG3 GLN A 60 21.809 7.661 5.448 1.00 0.00 H new ATOM 0 HE21 GLN A 60 20.276 9.753 6.171 1.00 0.00 H new ATOM 0 HE22 GLN A 60 18.553 9.366 6.114 1.00 0.00 H new ATOM 912 N GLU A 61 23.171 4.462 4.333 1.00 0.00 N ATOM 913 CA GLU A 61 24.363 4.539 3.439 1.00 0.00 C ATOM 914 C GLU A 61 23.957 4.219 1.998 1.00 0.00 C ATOM 915 O GLU A 61 24.300 4.928 1.073 1.00 0.00 O ATOM 916 CB GLU A 61 25.418 3.532 3.911 1.00 0.00 C ATOM 917 CG GLU A 61 26.708 3.702 3.098 1.00 0.00 C ATOM 918 CD GLU A 61 26.554 3.026 1.733 1.00 0.00 C ATOM 919 OE1 GLU A 61 26.655 1.811 1.680 1.00 0.00 O ATOM 920 OE2 GLU A 61 26.337 3.735 0.764 1.00 0.00 O ATOM 0 H GLU A 61 23.200 3.715 5.027 1.00 0.00 H new ATOM 0 HA GLU A 61 24.776 5.547 3.477 1.00 0.00 H new ATOM 0 HB2 GLU A 61 25.625 3.680 4.971 1.00 0.00 H new ATOM 0 HB3 GLU A 61 25.039 2.516 3.798 1.00 0.00 H new ATOM 0 HG2 GLU A 61 26.929 4.761 2.967 1.00 0.00 H new ATOM 0 HG3 GLU A 61 27.549 3.266 3.637 1.00 0.00 H new ATOM 927 N TYR A 62 23.236 3.151 1.799 1.00 0.00 N ATOM 928 CA TYR A 62 22.816 2.778 0.417 1.00 0.00 C ATOM 929 C TYR A 62 21.930 3.885 -0.165 1.00 0.00 C ATOM 930 O TYR A 62 22.000 4.192 -1.339 1.00 0.00 O ATOM 931 CB TYR A 62 22.033 1.453 0.450 1.00 0.00 C ATOM 932 CG TYR A 62 22.985 0.267 0.477 1.00 0.00 C ATOM 933 CD1 TYR A 62 24.035 0.206 1.418 1.00 0.00 C ATOM 934 CD2 TYR A 62 22.812 -0.788 -0.445 1.00 0.00 C ATOM 935 CE1 TYR A 62 24.904 -0.902 1.434 1.00 0.00 C ATOM 936 CE2 TYR A 62 23.683 -1.893 -0.427 1.00 0.00 C ATOM 937 CZ TYR A 62 24.729 -1.951 0.512 1.00 0.00 C ATOM 938 OH TYR A 62 25.581 -3.035 0.530 1.00 0.00 O ATOM 0 H TYR A 62 22.918 2.519 2.534 1.00 0.00 H new ATOM 0 HA TYR A 62 23.701 2.655 -0.207 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.388 1.428 1.328 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.385 1.386 -0.424 1.00 0.00 H new ATOM 0 HD1 TYR A 62 24.172 1.010 2.126 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.009 -0.747 -1.166 1.00 0.00 H new ATOM 0 HE1 TYR A 62 25.707 -0.947 2.155 1.00 0.00 H new ATOM 0 HE2 TYR A 62 23.548 -2.698 -1.135 1.00 0.00 H new ATOM 0 HH TYR A 62 25.320 -3.668 -0.171 1.00 0.00 H new ATOM 948 N VAL A 63 21.108 4.496 0.642 1.00 0.00 N ATOM 949 CA VAL A 63 20.239 5.583 0.125 1.00 0.00 C ATOM 950 C VAL A 63 21.130 6.744 -0.291 1.00 0.00 C ATOM 951 O VAL A 63 20.908 7.392 -1.293 1.00 0.00 O ATOM 952 CB VAL A 63 19.276 6.033 1.227 1.00 0.00 C ATOM 953 CG1 VAL A 63 18.560 7.319 0.802 1.00 0.00 C ATOM 954 CG2 VAL A 63 18.239 4.932 1.473 1.00 0.00 C ATOM 0 H VAL A 63 21.002 4.288 1.635 1.00 0.00 H new ATOM 0 HA VAL A 63 19.657 5.234 -0.728 1.00 0.00 H new ATOM 0 HB VAL A 63 19.839 6.222 2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 63 17.877 7.633 1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.296 8.104 0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 63 17.998 7.137 -0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 63 17.551 5.249 2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 63 17.682 4.746 0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.745 4.018 1.782 1.00 0.00 H new ATOM 964 N TYR A 64 22.146 7.002 0.478 1.00 0.00 N ATOM 965 CA TYR A 64 23.065 8.115 0.144 1.00 0.00 C ATOM 966 C TYR A 64 23.753 7.814 -1.186 1.00 0.00 C ATOM 967 O TYR A 64 23.896 8.667 -2.036 1.00 0.00 O ATOM 968 CB TYR A 64 24.119 8.245 1.249 1.00 0.00 C ATOM 969 CG TYR A 64 24.765 9.611 1.184 1.00 0.00 C ATOM 970 CD1 TYR A 64 24.064 10.742 1.643 1.00 0.00 C ATOM 971 CD2 TYR A 64 26.067 9.752 0.664 1.00 0.00 C ATOM 972 CE1 TYR A 64 24.666 12.014 1.584 1.00 0.00 C ATOM 973 CE2 TYR A 64 26.668 11.024 0.604 1.00 0.00 C ATOM 974 CZ TYR A 64 25.967 12.156 1.065 1.00 0.00 C ATOM 975 OH TYR A 64 26.555 13.402 1.007 1.00 0.00 O ATOM 0 H TYR A 64 22.379 6.487 1.327 1.00 0.00 H new ATOM 0 HA TYR A 64 22.506 9.047 0.062 1.00 0.00 H new ATOM 0 HB2 TYR A 64 23.656 8.098 2.225 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.876 7.469 1.135 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.065 10.635 2.040 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.604 8.884 0.311 1.00 0.00 H new ATOM 0 HE1 TYR A 64 24.129 12.882 1.937 1.00 0.00 H new ATOM 0 HE2 TYR A 64 27.666 11.132 0.205 1.00 0.00 H new ATOM 0 HH TYR A 64 27.453 13.322 0.623 1.00 0.00 H new ATOM 985 N ASP A 65 24.181 6.598 -1.361 1.00 0.00 N ATOM 986 CA ASP A 65 24.870 6.217 -2.625 1.00 0.00 C ATOM 987 C ASP A 65 23.917 6.392 -3.811 1.00 0.00 C ATOM 988 O ASP A 65 24.319 6.773 -4.893 1.00 0.00 O ATOM 989 CB ASP A 65 25.312 4.752 -2.530 1.00 0.00 C ATOM 990 CG ASP A 65 26.581 4.650 -1.682 1.00 0.00 C ATOM 991 OD1 ASP A 65 26.869 5.595 -0.966 1.00 0.00 O ATOM 992 OD2 ASP A 65 27.243 3.628 -1.763 1.00 0.00 O ATOM 0 H ASP A 65 24.083 5.846 -0.679 1.00 0.00 H new ATOM 0 HA ASP A 65 25.740 6.856 -2.774 1.00 0.00 H new ATOM 0 HB2 ASP A 65 24.518 4.151 -2.087 1.00 0.00 H new ATOM 0 HB3 ASP A 65 25.496 4.352 -3.527 1.00 0.00 H new ATOM 997 N LEU A 66 22.661 6.114 -3.617 1.00 0.00 N ATOM 998 CA LEU A 66 21.679 6.260 -4.729 1.00 0.00 C ATOM 999 C LEU A 66 21.440 7.747 -5.007 1.00 0.00 C ATOM 1000 O LEU A 66 21.137 8.141 -6.116 1.00 0.00 O ATOM 1001 CB LEU A 66 20.364 5.585 -4.319 1.00 0.00 C ATOM 1002 CG LEU A 66 20.457 4.059 -4.539 1.00 0.00 C ATOM 1003 CD1 LEU A 66 19.422 3.348 -3.666 1.00 0.00 C ATOM 1004 CD2 LEU A 66 20.175 3.712 -6.010 1.00 0.00 C ATOM 0 H LEU A 66 22.268 5.790 -2.733 1.00 0.00 H new ATOM 0 HA LEU A 66 22.065 5.789 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 66 20.149 5.796 -3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 66 19.539 5.994 -4.902 1.00 0.00 H new ATOM 0 HG LEU A 66 21.463 3.734 -4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.491 2.272 -3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 66 19.614 3.574 -2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.423 3.691 -3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 66 20.244 2.633 -6.149 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.174 4.049 -6.278 1.00 0.00 H new ATOM 0 HD23 LEU A 66 20.907 4.208 -6.648 1.00 0.00 H new ATOM 1016 N GLU A 67 21.580 8.574 -4.012 1.00 0.00 N ATOM 1017 CA GLU A 67 21.367 10.034 -4.219 1.00 0.00 C ATOM 1018 C GLU A 67 22.536 10.601 -5.023 1.00 0.00 C ATOM 1019 O GLU A 67 22.391 11.547 -5.771 1.00 0.00 O ATOM 1020 CB GLU A 67 21.303 10.734 -2.860 1.00 0.00 C ATOM 1021 CG GLU A 67 20.032 10.309 -2.120 1.00 0.00 C ATOM 1022 CD GLU A 67 18.829 11.086 -2.665 1.00 0.00 C ATOM 1023 OE1 GLU A 67 18.910 12.302 -2.720 1.00 0.00 O ATOM 1024 OE2 GLU A 67 17.848 10.451 -3.015 1.00 0.00 O ATOM 0 H GLU A 67 21.833 8.303 -3.062 1.00 0.00 H new ATOM 0 HA GLU A 67 20.434 10.197 -4.759 1.00 0.00 H new ATOM 0 HB2 GLU A 67 22.182 10.480 -2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 67 21.312 11.815 -2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 67 19.870 9.238 -2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.143 10.495 -1.052 1.00 0.00 H new ATOM 1116 N SER B 5 10.651 -9.751 -3.411 1.00 0.00 N ATOM 1117 CA SER B 5 11.357 -9.917 -2.105 1.00 0.00 C ATOM 1118 C SER B 5 10.402 -9.566 -0.949 1.00 0.00 C ATOM 1119 O SER B 5 9.863 -10.436 -0.294 1.00 0.00 O ATOM 1120 CB SER B 5 12.599 -9.005 -2.081 1.00 0.00 C ATOM 1121 OG SER B 5 12.673 -8.295 -3.306 1.00 0.00 O ATOM 0 HA SER B 5 11.676 -10.952 -1.985 1.00 0.00 H new ATOM 0 HB2 SER B 5 12.539 -8.308 -1.245 1.00 0.00 H new ATOM 0 HB3 SER B 5 13.501 -9.600 -1.936 1.00 0.00 H new ATOM 0 HG SER B 5 11.797 -8.308 -3.745 1.00 0.00 H new ATOM 1127 N ASP B 6 10.189 -8.298 -0.697 1.00 0.00 N ATOM 1128 CA ASP B 6 9.272 -7.898 0.416 1.00 0.00 C ATOM 1129 C ASP B 6 8.721 -6.487 0.153 1.00 0.00 C ATOM 1130 O ASP B 6 9.020 -5.570 0.893 1.00 0.00 O ATOM 1131 CB ASP B 6 10.044 -7.891 1.746 1.00 0.00 C ATOM 1132 CG ASP B 6 9.053 -7.906 2.913 1.00 0.00 C ATOM 1133 OD1 ASP B 6 8.168 -8.745 2.903 1.00 0.00 O ATOM 1134 OD2 ASP B 6 9.198 -7.077 3.797 1.00 0.00 O ATOM 0 H ASP B 6 10.609 -7.524 -1.212 1.00 0.00 H new ATOM 0 HA ASP B 6 8.449 -8.611 0.470 1.00 0.00 H new ATOM 0 HB2 ASP B 6 10.701 -8.759 1.802 1.00 0.00 H new ATOM 0 HB3 ASP B 6 10.679 -7.007 1.806 1.00 0.00 H new ATOM 1139 N PRO B 7 7.937 -6.339 -0.894 1.00 0.00 N ATOM 1140 CA PRO B 7 7.360 -5.026 -1.239 1.00 0.00 C ATOM 1141 C PRO B 7 6.436 -4.533 -0.103 1.00 0.00 C ATOM 1142 O PRO B 7 6.089 -5.299 0.776 1.00 0.00 O ATOM 1143 CB PRO B 7 6.566 -5.270 -2.546 1.00 0.00 C ATOM 1144 CG PRO B 7 6.677 -6.788 -2.886 1.00 0.00 C ATOM 1145 CD PRO B 7 7.570 -7.444 -1.807 1.00 0.00 C ATOM 0 HA PRO B 7 8.120 -4.256 -1.371 1.00 0.00 H new ATOM 0 HB2 PRO B 7 5.523 -4.981 -2.420 1.00 0.00 H new ATOM 0 HB3 PRO B 7 6.969 -4.665 -3.358 1.00 0.00 H new ATOM 0 HG2 PRO B 7 5.690 -7.251 -2.900 1.00 0.00 H new ATOM 0 HG3 PRO B 7 7.108 -6.928 -3.877 1.00 0.00 H new ATOM 0 HD2 PRO B 7 7.035 -8.233 -1.278 1.00 0.00 H new ATOM 0 HD3 PRO B 7 8.455 -7.901 -2.250 1.00 0.00 H new ATOM 1153 N PRO B 8 6.057 -3.268 -0.153 1.00 0.00 N ATOM 1154 CA PRO B 8 5.167 -2.681 0.871 1.00 0.00 C ATOM 1155 C PRO B 8 3.807 -3.396 0.856 1.00 0.00 C ATOM 1156 O PRO B 8 3.685 -4.512 0.393 1.00 0.00 O ATOM 1157 CB PRO B 8 5.022 -1.193 0.464 1.00 0.00 C ATOM 1158 CG PRO B 8 5.720 -1.020 -0.915 1.00 0.00 C ATOM 1159 CD PRO B 8 6.478 -2.331 -1.218 1.00 0.00 C ATOM 0 HA PRO B 8 5.561 -2.784 1.882 1.00 0.00 H new ATOM 0 HB2 PRO B 8 3.971 -0.913 0.400 1.00 0.00 H new ATOM 0 HB3 PRO B 8 5.480 -0.544 1.211 1.00 0.00 H new ATOM 0 HG2 PRO B 8 4.986 -0.813 -1.693 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.408 -0.175 -0.893 1.00 0.00 H new ATOM 0 HD2 PRO B 8 6.224 -2.715 -2.206 1.00 0.00 H new ATOM 0 HD3 PRO B 8 7.557 -2.176 -1.204 1.00 0.00 H new ATOM 1167 N THR B 9 2.785 -2.756 1.363 1.00 0.00 N ATOM 1168 CA THR B 9 1.434 -3.389 1.380 1.00 0.00 C ATOM 1169 C THR B 9 0.361 -2.302 1.394 1.00 0.00 C ATOM 1170 O THR B 9 0.346 -1.436 2.247 1.00 0.00 O ATOM 1171 CB THR B 9 1.295 -4.253 2.631 1.00 0.00 C ATOM 1172 OG1 THR B 9 2.456 -5.059 2.777 1.00 0.00 O ATOM 1173 CG2 THR B 9 0.060 -5.149 2.504 1.00 0.00 C ATOM 0 H THR B 9 2.829 -1.820 1.767 1.00 0.00 H new ATOM 0 HA THR B 9 1.312 -4.009 0.492 1.00 0.00 H new ATOM 0 HB THR B 9 1.184 -3.612 3.505 1.00 0.00 H new ATOM 0 HG1 THR B 9 2.457 -5.473 3.665 1.00 0.00 H new ATOM 0 HG21 THR B 9 -0.037 -5.764 3.398 1.00 0.00 H new ATOM 0 HG22 THR B 9 -0.829 -4.529 2.393 1.00 0.00 H new ATOM 0 HG23 THR B 9 0.166 -5.792 1.630 1.00 0.00 H new ATOM 1181 N ALA B 10 -0.539 -2.345 0.454 1.00 0.00 N ATOM 1182 CA ALA B 10 -1.618 -1.322 0.402 1.00 0.00 C ATOM 1183 C ALA B 10 -2.565 -1.511 1.586 1.00 0.00 C ATOM 1184 O ALA B 10 -3.604 -2.130 1.466 1.00 0.00 O ATOM 1185 CB ALA B 10 -2.399 -1.485 -0.900 1.00 0.00 C ATOM 0 H ALA B 10 -0.574 -3.048 -0.284 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.178 -0.326 0.448 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -3.192 -0.738 -0.945 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -1.726 -1.351 -1.747 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -2.837 -2.482 -0.939 1.00 0.00 H new ATOM 1191 N CYS B 11 -2.218 -0.971 2.727 1.00 0.00 N ATOM 1192 CA CYS B 11 -3.093 -1.099 3.934 1.00 0.00 C ATOM 1193 C CYS B 11 -3.721 0.265 4.225 1.00 0.00 C ATOM 1194 O CYS B 11 -3.067 1.287 4.152 1.00 0.00 O ATOM 1195 CB CYS B 11 -2.248 -1.542 5.131 1.00 0.00 C ATOM 1196 SG CYS B 11 -1.365 -3.068 4.714 1.00 0.00 S ATOM 0 H CYS B 11 -1.359 -0.442 2.876 1.00 0.00 H new ATOM 0 HA CYS B 11 -3.874 -1.839 3.756 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.538 -0.759 5.398 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.886 -1.704 6.000 1.00 0.00 H new ATOM 1201 N CYS B 12 -4.986 0.295 4.539 1.00 0.00 N ATOM 1202 CA CYS B 12 -5.649 1.598 4.819 1.00 0.00 C ATOM 1203 C CYS B 12 -5.177 2.137 6.171 1.00 0.00 C ATOM 1204 O CYS B 12 -5.049 1.405 7.132 1.00 0.00 O ATOM 1205 CB CYS B 12 -7.168 1.409 4.849 1.00 0.00 C ATOM 1206 SG CYS B 12 -7.730 0.780 3.247 1.00 0.00 S ATOM 0 H CYS B 12 -5.588 -0.525 4.614 1.00 0.00 H new ATOM 0 HA CYS B 12 -5.387 2.308 4.034 1.00 0.00 H new ATOM 0 HB2 CYS B 12 -7.443 0.713 5.642 1.00 0.00 H new ATOM 0 HB3 CYS B 12 -7.659 2.356 5.072 1.00 0.00 H new ATOM 1211 N PHE B 13 -4.931 3.419 6.250 1.00 0.00 N ATOM 1212 CA PHE B 13 -4.479 4.032 7.537 1.00 0.00 C ATOM 1213 C PHE B 13 -5.677 4.731 8.184 1.00 0.00 C ATOM 1214 O PHE B 13 -5.681 5.035 9.360 1.00 0.00 O ATOM 1215 CB PHE B 13 -3.374 5.056 7.250 1.00 0.00 C ATOM 1216 CG PHE B 13 -3.961 6.239 6.518 1.00 0.00 C ATOM 1217 CD1 PHE B 13 -4.252 6.140 5.145 1.00 0.00 C ATOM 1218 CD2 PHE B 13 -4.231 7.433 7.213 1.00 0.00 C ATOM 1219 CE1 PHE B 13 -4.811 7.237 4.466 1.00 0.00 C ATOM 1220 CE2 PHE B 13 -4.791 8.530 6.534 1.00 0.00 C ATOM 1221 CZ PHE B 13 -5.082 8.433 5.160 1.00 0.00 C ATOM 0 H PHE B 13 -5.024 4.073 5.473 1.00 0.00 H new ATOM 0 HA PHE B 13 -4.088 3.266 8.207 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -2.916 5.383 8.183 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.586 4.599 6.651 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -4.046 5.223 4.613 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -4.008 7.507 8.267 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -5.033 7.163 3.412 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -4.998 9.447 7.067 1.00 0.00 H new ATOM 0 HZ PHE B 13 -5.513 9.275 4.638 1.00 0.00 H new ATOM 1231 N SER B 14 -6.695 4.981 7.406 1.00 0.00 N ATOM 1232 CA SER B 14 -7.911 5.655 7.936 1.00 0.00 C ATOM 1233 C SER B 14 -9.099 5.296 7.041 1.00 0.00 C ATOM 1234 O SER B 14 -9.088 4.287 6.363 1.00 0.00 O ATOM 1235 CB SER B 14 -7.702 7.169 7.929 1.00 0.00 C ATOM 1236 OG SER B 14 -7.492 7.609 6.593 1.00 0.00 O ATOM 0 H SER B 14 -6.735 4.744 6.415 1.00 0.00 H new ATOM 0 HA SER B 14 -8.103 5.328 8.958 1.00 0.00 H new ATOM 0 HB2 SER B 14 -8.571 7.669 8.356 1.00 0.00 H new ATOM 0 HB3 SER B 14 -6.845 7.432 8.549 1.00 0.00 H new ATOM 0 HG SER B 14 -6.679 8.154 6.552 1.00 0.00 H new ATOM 1242 N TYR B 15 -10.124 6.105 7.027 1.00 0.00 N ATOM 1243 CA TYR B 15 -11.307 5.792 6.169 1.00 0.00 C ATOM 1244 C TYR B 15 -12.043 7.085 5.825 1.00 0.00 C ATOM 1245 O TYR B 15 -11.858 8.104 6.461 1.00 0.00 O ATOM 1246 CB TYR B 15 -12.255 4.852 6.925 1.00 0.00 C ATOM 1247 CG TYR B 15 -11.456 3.827 7.691 1.00 0.00 C ATOM 1248 CD1 TYR B 15 -11.110 2.604 7.084 1.00 0.00 C ATOM 1249 CD2 TYR B 15 -11.055 4.094 9.014 1.00 0.00 C ATOM 1250 CE1 TYR B 15 -10.363 1.649 7.801 1.00 0.00 C ATOM 1251 CE2 TYR B 15 -10.308 3.139 9.730 1.00 0.00 C ATOM 1252 CZ TYR B 15 -9.961 1.917 9.124 1.00 0.00 C ATOM 1253 OH TYR B 15 -9.229 0.981 9.825 1.00 0.00 O ATOM 0 H TYR B 15 -10.195 6.966 7.569 1.00 0.00 H new ATOM 0 HA TYR B 15 -10.971 5.309 5.252 1.00 0.00 H new ATOM 0 HB2 TYR B 15 -12.880 5.425 7.610 1.00 0.00 H new ATOM 0 HB3 TYR B 15 -12.924 4.354 6.223 1.00 0.00 H new ATOM 0 HD1 TYR B 15 -11.417 2.399 6.069 1.00 0.00 H new ATOM 0 HD2 TYR B 15 -11.320 5.032 9.480 1.00 0.00 H new ATOM 0 HE1 TYR B 15 -10.098 0.711 7.336 1.00 0.00 H new ATOM 0 HE2 TYR B 15 -10.001 3.344 10.745 1.00 0.00 H new ATOM 0 HH TYR B 15 -9.033 1.324 10.722 1.00 0.00 H new ATOM 1263 N THR B 16 -12.885 7.053 4.830 1.00 0.00 N ATOM 1264 CA THR B 16 -13.635 8.286 4.465 1.00 0.00 C ATOM 1265 C THR B 16 -14.487 8.712 5.662 1.00 0.00 C ATOM 1266 O THR B 16 -14.220 8.334 6.786 1.00 0.00 O ATOM 1267 CB THR B 16 -14.517 8.023 3.236 1.00 0.00 C ATOM 1268 OG1 THR B 16 -15.253 9.195 2.920 1.00 0.00 O ATOM 1269 CG2 THR B 16 -15.484 6.871 3.513 1.00 0.00 C ATOM 0 H THR B 16 -13.085 6.233 4.258 1.00 0.00 H new ATOM 0 HA THR B 16 -12.939 9.086 4.213 1.00 0.00 H new ATOM 0 HB THR B 16 -13.878 7.753 2.395 1.00 0.00 H new ATOM 0 HG1 THR B 16 -15.814 9.027 2.134 1.00 0.00 H new ATOM 0 HG21 THR B 16 -16.103 6.696 2.633 1.00 0.00 H new ATOM 0 HG22 THR B 16 -14.918 5.969 3.744 1.00 0.00 H new ATOM 0 HG23 THR B 16 -16.121 7.126 4.360 1.00 0.00 H new ATOM 1277 N ALA B 17 -15.508 9.492 5.442 1.00 0.00 N ATOM 1278 CA ALA B 17 -16.370 9.940 6.576 1.00 0.00 C ATOM 1279 C ALA B 17 -17.809 10.063 6.088 1.00 0.00 C ATOM 1280 O ALA B 17 -18.655 10.632 6.749 1.00 0.00 O ATOM 1281 CB ALA B 17 -15.886 11.304 7.071 1.00 0.00 C ATOM 0 H ALA B 17 -15.785 9.841 4.524 1.00 0.00 H new ATOM 0 HA ALA B 17 -16.316 9.216 7.389 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -16.513 11.634 7.899 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -14.853 11.223 7.408 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -15.947 12.028 6.259 1.00 0.00 H new ATOM 1287 N ARG B 18 -18.095 9.537 4.927 1.00 0.00 N ATOM 1288 CA ARG B 18 -19.479 9.626 4.379 1.00 0.00 C ATOM 1289 C ARG B 18 -19.809 8.350 3.603 1.00 0.00 C ATOM 1290 O ARG B 18 -19.042 7.898 2.777 1.00 0.00 O ATOM 1291 CB ARG B 18 -19.564 10.827 3.440 1.00 0.00 C ATOM 1292 CG ARG B 18 -19.070 12.075 4.174 1.00 0.00 C ATOM 1293 CD ARG B 18 -19.445 13.320 3.375 1.00 0.00 C ATOM 1294 NE ARG B 18 -18.760 13.288 2.051 1.00 0.00 N ATOM 1295 CZ ARG B 18 -19.154 14.083 1.094 1.00 0.00 C ATOM 1296 NH1 ARG B 18 -20.147 14.906 1.296 1.00 0.00 N ATOM 1297 NH2 ARG B 18 -18.555 14.055 -0.064 1.00 0.00 N ATOM 0 H ARG B 18 -17.426 9.047 4.332 1.00 0.00 H new ATOM 0 HA ARG B 18 -20.190 9.742 5.197 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -18.960 10.651 2.550 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -20.591 10.970 3.105 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -19.512 12.123 5.169 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -17.989 12.027 4.307 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -20.525 13.364 3.236 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -19.157 14.217 3.923 1.00 0.00 H new ATOM 0 HE ARG B 18 -17.984 12.645 1.893 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -20.615 14.928 2.202 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -20.455 15.527 0.548 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -17.779 13.412 -0.221 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -18.862 14.676 -0.812 1.00 0.00 H new ATOM 1311 N LYS B 19 -20.952 7.774 3.853 1.00 0.00 N ATOM 1312 CA LYS B 19 -21.338 6.538 3.121 1.00 0.00 C ATOM 1313 C LYS B 19 -21.466 6.879 1.634 1.00 0.00 C ATOM 1314 O LYS B 19 -22.151 7.809 1.258 1.00 0.00 O ATOM 1315 CB LYS B 19 -22.681 6.029 3.678 1.00 0.00 C ATOM 1316 CG LYS B 19 -23.208 4.828 2.869 1.00 0.00 C ATOM 1317 CD LYS B 19 -24.689 4.592 3.190 1.00 0.00 C ATOM 1318 CE LYS B 19 -24.910 4.560 4.708 1.00 0.00 C ATOM 1319 NZ LYS B 19 -24.987 5.953 5.229 1.00 0.00 N ATOM 0 H LYS B 19 -21.635 8.107 4.533 1.00 0.00 H new ATOM 0 HA LYS B 19 -20.587 5.758 3.248 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -22.557 5.740 4.722 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -23.415 6.835 3.655 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -23.083 5.014 1.802 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -22.629 3.936 3.107 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -25.294 5.382 2.745 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -25.018 3.651 2.749 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -25.829 4.022 4.941 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -24.095 4.024 5.194 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -24.072 6.218 5.647 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -25.213 6.603 4.449 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -25.729 6.012 5.955 1.00 0.00 H new ATOM 1333 N LEU B 20 -20.812 6.134 0.785 1.00 0.00 N ATOM 1334 CA LEU B 20 -20.900 6.421 -0.672 1.00 0.00 C ATOM 1335 C LEU B 20 -22.291 5.990 -1.189 1.00 0.00 C ATOM 1336 O LEU B 20 -22.677 4.862 -0.960 1.00 0.00 O ATOM 1337 CB LEU B 20 -19.837 5.607 -1.418 1.00 0.00 C ATOM 1338 CG LEU B 20 -18.494 5.696 -0.693 1.00 0.00 C ATOM 1339 CD1 LEU B 20 -17.425 5.012 -1.546 1.00 0.00 C ATOM 1340 CD2 LEU B 20 -18.110 7.162 -0.482 1.00 0.00 C ATOM 0 H LEU B 20 -20.222 5.341 1.038 1.00 0.00 H new ATOM 0 HA LEU B 20 -20.743 7.487 -0.840 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -20.151 4.566 -1.490 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -19.733 5.979 -2.437 1.00 0.00 H new ATOM 0 HG LEU B 20 -18.572 5.205 0.277 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -16.462 5.070 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -17.694 3.966 -1.697 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -17.356 5.512 -2.512 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -17.152 7.216 0.035 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -18.029 7.660 -1.448 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -18.875 7.656 0.118 1.00 0.00 H new ATOM 1352 N PRO B 21 -23.013 6.853 -1.887 1.00 0.00 N ATOM 1353 CA PRO B 21 -24.331 6.460 -2.416 1.00 0.00 C ATOM 1354 C PRO B 21 -24.179 5.200 -3.268 1.00 0.00 C ATOM 1355 O PRO B 21 -23.207 5.038 -3.976 1.00 0.00 O ATOM 1356 CB PRO B 21 -24.792 7.656 -3.278 1.00 0.00 C ATOM 1357 CG PRO B 21 -23.773 8.809 -3.053 1.00 0.00 C ATOM 1358 CD PRO B 21 -22.612 8.243 -2.204 1.00 0.00 C ATOM 0 HA PRO B 21 -25.053 6.235 -1.631 1.00 0.00 H new ATOM 0 HB2 PRO B 21 -24.831 7.378 -4.331 1.00 0.00 H new ATOM 0 HB3 PRO B 21 -25.796 7.970 -2.994 1.00 0.00 H new ATOM 0 HG2 PRO B 21 -23.403 9.185 -4.007 1.00 0.00 H new ATOM 0 HG3 PRO B 21 -24.248 9.647 -2.543 1.00 0.00 H new ATOM 0 HD2 PRO B 21 -21.672 8.267 -2.755 1.00 0.00 H new ATOM 0 HD3 PRO B 21 -22.465 8.828 -1.296 1.00 0.00 H new ATOM 1366 N ARG B 22 -25.134 4.317 -3.225 1.00 0.00 N ATOM 1367 CA ARG B 22 -25.032 3.090 -4.061 1.00 0.00 C ATOM 1368 C ARG B 22 -24.717 3.517 -5.497 1.00 0.00 C ATOM 1369 O ARG B 22 -23.996 2.855 -6.217 1.00 0.00 O ATOM 1370 CB ARG B 22 -26.362 2.326 -4.018 1.00 0.00 C ATOM 1371 CG ARG B 22 -26.337 1.154 -5.010 1.00 0.00 C ATOM 1372 CD ARG B 22 -25.104 0.277 -4.762 1.00 0.00 C ATOM 1373 NE ARG B 22 -25.342 -1.082 -5.325 1.00 0.00 N ATOM 1374 CZ ARG B 22 -24.340 -1.899 -5.502 1.00 0.00 C ATOM 1375 NH1 ARG B 22 -23.130 -1.525 -5.187 1.00 0.00 N ATOM 1376 NH2 ARG B 22 -24.548 -3.090 -5.994 1.00 0.00 N ATOM 0 H ARG B 22 -25.975 4.389 -2.652 1.00 0.00 H new ATOM 0 HA ARG B 22 -24.245 2.437 -3.685 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -26.543 1.954 -3.010 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -27.184 2.999 -4.261 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -27.244 0.558 -4.903 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -26.323 1.533 -6.032 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -24.226 0.726 -5.226 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -24.901 0.210 -3.693 1.00 0.00 H new ATOM 0 HE ARG B 22 -26.288 -1.374 -5.572 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -22.968 -0.594 -4.803 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -22.347 -2.163 -5.325 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -25.494 -3.382 -6.240 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -23.765 -3.729 -6.132 1.00 0.00 H new ATOM 1390 N ASN B 23 -25.255 4.636 -5.907 1.00 0.00 N ATOM 1391 CA ASN B 23 -24.996 5.135 -7.287 1.00 0.00 C ATOM 1392 C ASN B 23 -23.570 5.683 -7.378 1.00 0.00 C ATOM 1393 O ASN B 23 -23.241 6.426 -8.281 1.00 0.00 O ATOM 1394 CB ASN B 23 -25.990 6.247 -7.621 1.00 0.00 C ATOM 1395 CG ASN B 23 -25.760 6.725 -9.055 1.00 0.00 C ATOM 1396 OD1 ASN B 23 -25.778 7.910 -9.324 1.00 0.00 O ATOM 1397 ND2 ASN B 23 -25.542 5.847 -9.996 1.00 0.00 N ATOM 0 H ASN B 23 -25.865 5.227 -5.342 1.00 0.00 H new ATOM 0 HA ASN B 23 -25.114 4.315 -7.995 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -27.011 5.882 -7.508 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -25.869 7.078 -6.926 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -25.387 6.156 -10.956 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -25.527 4.852 -9.772 1.00 0.00 H new ATOM 1404 N PHE B 24 -22.719 5.329 -6.446 1.00 0.00 N ATOM 1405 CA PHE B 24 -21.310 5.839 -6.474 1.00 0.00 C ATOM 1406 C PHE B 24 -20.362 4.708 -6.068 1.00 0.00 C ATOM 1407 O PHE B 24 -19.306 4.935 -5.511 1.00 0.00 O ATOM 1408 CB PHE B 24 -21.179 7.011 -5.486 1.00 0.00 C ATOM 1409 CG PHE B 24 -19.994 7.882 -5.851 1.00 0.00 C ATOM 1410 CD1 PHE B 24 -19.955 8.532 -7.102 1.00 0.00 C ATOM 1411 CD2 PHE B 24 -18.932 8.054 -4.938 1.00 0.00 C ATOM 1412 CE1 PHE B 24 -18.861 9.346 -7.439 1.00 0.00 C ATOM 1413 CE2 PHE B 24 -17.836 8.870 -5.279 1.00 0.00 C ATOM 1414 CZ PHE B 24 -17.801 9.516 -6.529 1.00 0.00 C ATOM 0 H PHE B 24 -22.938 4.709 -5.666 1.00 0.00 H new ATOM 0 HA PHE B 24 -21.055 6.183 -7.476 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -22.092 7.606 -5.495 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -21.058 6.628 -4.473 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -20.767 8.404 -7.802 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -18.960 7.560 -3.978 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -18.833 9.842 -8.398 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.022 9.000 -4.581 1.00 0.00 H new ATOM 0 HZ PHE B 24 -16.961 10.142 -6.790 1.00 0.00 H new ATOM 1424 N VAL B 25 -20.732 3.492 -6.358 1.00 0.00 N ATOM 1425 CA VAL B 25 -19.865 2.329 -6.013 1.00 0.00 C ATOM 1426 C VAL B 25 -20.071 1.255 -7.072 1.00 0.00 C ATOM 1427 O VAL B 25 -20.904 0.380 -6.951 1.00 0.00 O ATOM 1428 CB VAL B 25 -20.243 1.788 -4.631 1.00 0.00 C ATOM 1429 CG1 VAL B 25 -19.286 0.660 -4.243 1.00 0.00 C ATOM 1430 CG2 VAL B 25 -20.135 2.916 -3.602 1.00 0.00 C ATOM 0 H VAL B 25 -21.607 3.251 -6.824 1.00 0.00 H new ATOM 0 HA VAL B 25 -18.818 2.632 -5.986 1.00 0.00 H new ATOM 0 HB VAL B 25 -21.264 1.406 -4.657 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -19.556 0.276 -3.259 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -19.353 -0.143 -4.977 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -18.265 1.042 -4.216 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -20.403 2.536 -2.616 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -19.112 3.292 -3.580 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -20.813 3.724 -3.876 1.00 0.00 H new ATOM 1440 N VAL B 26 -19.313 1.344 -8.122 1.00 0.00 N ATOM 1441 CA VAL B 26 -19.430 0.371 -9.236 1.00 0.00 C ATOM 1442 C VAL B 26 -18.674 -0.909 -8.882 1.00 0.00 C ATOM 1443 O VAL B 26 -18.853 -1.937 -9.505 1.00 0.00 O ATOM 1444 CB VAL B 26 -18.831 1.022 -10.492 1.00 0.00 C ATOM 1445 CG1 VAL B 26 -17.585 1.829 -10.101 1.00 0.00 C ATOM 1446 CG2 VAL B 26 -18.446 -0.045 -11.523 1.00 0.00 C ATOM 0 H VAL B 26 -18.603 2.064 -8.258 1.00 0.00 H new ATOM 0 HA VAL B 26 -20.473 0.109 -9.415 1.00 0.00 H new ATOM 0 HB VAL B 26 -19.577 1.681 -10.935 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -17.158 2.292 -10.990 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -17.863 2.604 -9.386 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -16.849 1.165 -9.648 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -18.024 0.437 -12.405 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -17.708 -0.720 -11.090 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -19.332 -0.612 -11.808 1.00 0.00 H new ATOM 1456 N ASP B 27 -17.825 -0.855 -7.900 1.00 0.00 N ATOM 1457 CA ASP B 27 -17.056 -2.070 -7.532 1.00 0.00 C ATOM 1458 C ASP B 27 -16.319 -1.818 -6.219 1.00 0.00 C ATOM 1459 O ASP B 27 -16.502 -0.801 -5.581 1.00 0.00 O ATOM 1460 CB ASP B 27 -16.047 -2.371 -8.647 1.00 0.00 C ATOM 1461 CG ASP B 27 -15.571 -3.821 -8.537 1.00 0.00 C ATOM 1462 OD1 ASP B 27 -16.393 -4.672 -8.238 1.00 0.00 O ATOM 1463 OD2 ASP B 27 -14.393 -4.056 -8.752 1.00 0.00 O ATOM 0 H ASP B 27 -17.630 -0.026 -7.338 1.00 0.00 H new ATOM 0 HA ASP B 27 -17.728 -2.919 -7.408 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -16.506 -2.202 -9.621 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -15.197 -1.693 -8.574 1.00 0.00 H new ATOM 1468 N TYR B 28 -15.481 -2.730 -5.811 1.00 0.00 N ATOM 1469 CA TYR B 28 -14.733 -2.526 -4.541 1.00 0.00 C ATOM 1470 C TYR B 28 -13.458 -3.361 -4.546 1.00 0.00 C ATOM 1471 O TYR B 28 -13.115 -3.998 -5.522 1.00 0.00 O ATOM 1472 CB TYR B 28 -15.611 -2.908 -3.343 1.00 0.00 C ATOM 1473 CG TYR B 28 -15.755 -4.414 -3.237 1.00 0.00 C ATOM 1474 CD1 TYR B 28 -16.393 -5.138 -4.263 1.00 0.00 C ATOM 1475 CD2 TYR B 28 -15.265 -5.089 -2.101 1.00 0.00 C ATOM 1476 CE1 TYR B 28 -16.537 -6.534 -4.155 1.00 0.00 C ATOM 1477 CE2 TYR B 28 -15.411 -6.483 -1.990 1.00 0.00 C ATOM 1478 CZ TYR B 28 -16.047 -7.207 -3.017 1.00 0.00 C ATOM 1479 OH TYR B 28 -16.190 -8.575 -2.910 1.00 0.00 O ATOM 0 H TYR B 28 -15.283 -3.603 -6.300 1.00 0.00 H new ATOM 0 HA TYR B 28 -14.464 -1.473 -4.456 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -15.173 -2.515 -2.426 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -16.595 -2.451 -3.448 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -16.772 -4.622 -5.133 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -14.776 -4.534 -1.314 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -17.023 -7.090 -4.944 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -15.036 -6.998 -1.118 1.00 0.00 H new ATOM 0 HH TYR B 28 -17.130 -8.817 -3.045 1.00 0.00 H new ATOM 1489 N TYR B 29 -12.749 -3.340 -3.461 1.00 0.00 N ATOM 1490 CA TYR B 29 -11.480 -4.102 -3.373 1.00 0.00 C ATOM 1491 C TYR B 29 -11.115 -4.264 -1.892 1.00 0.00 C ATOM 1492 O TYR B 29 -11.281 -3.355 -1.109 1.00 0.00 O ATOM 1493 CB TYR B 29 -10.398 -3.311 -4.127 1.00 0.00 C ATOM 1494 CG TYR B 29 -9.017 -3.745 -3.697 1.00 0.00 C ATOM 1495 CD1 TYR B 29 -8.520 -4.997 -4.098 1.00 0.00 C ATOM 1496 CD2 TYR B 29 -8.232 -2.896 -2.895 1.00 0.00 C ATOM 1497 CE1 TYR B 29 -7.234 -5.404 -3.695 1.00 0.00 C ATOM 1498 CE2 TYR B 29 -6.946 -3.301 -2.491 1.00 0.00 C ATOM 1499 CZ TYR B 29 -6.446 -4.556 -2.891 1.00 0.00 C ATOM 1500 OH TYR B 29 -5.186 -4.955 -2.495 1.00 0.00 O ATOM 0 H TYR B 29 -12.997 -2.820 -2.619 1.00 0.00 H new ATOM 0 HA TYR B 29 -11.572 -5.092 -3.819 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -10.513 -3.461 -5.200 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -10.524 -2.245 -3.939 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -9.124 -5.646 -4.715 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -8.616 -1.934 -2.590 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -6.851 -6.366 -4.002 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -6.343 -2.650 -1.875 1.00 0.00 H new ATOM 0 HH TYR B 29 -4.778 -4.253 -1.946 1.00 0.00 H new ATOM 1510 N GLU B 30 -10.620 -5.409 -1.497 1.00 0.00 N ATOM 1511 CA GLU B 30 -10.250 -5.608 -0.060 1.00 0.00 C ATOM 1512 C GLU B 30 -8.749 -5.354 0.117 1.00 0.00 C ATOM 1513 O GLU B 30 -7.976 -5.455 -0.815 1.00 0.00 O ATOM 1514 CB GLU B 30 -10.583 -7.041 0.359 1.00 0.00 C ATOM 1515 CG GLU B 30 -12.091 -7.176 0.578 1.00 0.00 C ATOM 1516 CD GLU B 30 -12.448 -8.649 0.788 1.00 0.00 C ATOM 1517 OE1 GLU B 30 -12.394 -9.394 -0.176 1.00 0.00 O ATOM 1518 OE2 GLU B 30 -12.770 -9.006 1.909 1.00 0.00 O ATOM 0 H GLU B 30 -10.456 -6.213 -2.103 1.00 0.00 H new ATOM 0 HA GLU B 30 -10.812 -4.912 0.563 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -10.253 -7.741 -0.409 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -10.048 -7.296 1.274 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -12.397 -6.590 1.445 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -12.631 -6.779 -0.282 1.00 0.00 H new ATOM 1525 N THR B 31 -8.336 -5.013 1.307 1.00 0.00 N ATOM 1526 CA THR B 31 -6.889 -4.735 1.556 1.00 0.00 C ATOM 1527 C THR B 31 -6.087 -6.036 1.558 1.00 0.00 C ATOM 1528 O THR B 31 -6.556 -7.074 1.137 1.00 0.00 O ATOM 1529 CB THR B 31 -6.742 -4.061 2.921 1.00 0.00 C ATOM 1530 OG1 THR B 31 -7.456 -4.817 3.883 1.00 0.00 O ATOM 1531 CG2 THR B 31 -7.300 -2.638 2.849 1.00 0.00 C ATOM 0 H THR B 31 -8.940 -4.914 2.123 1.00 0.00 H new ATOM 0 HA THR B 31 -6.511 -4.086 0.766 1.00 0.00 H new ATOM 0 HB THR B 31 -5.691 -4.013 3.205 1.00 0.00 H new ATOM 0 HG1 THR B 31 -7.503 -5.752 3.594 1.00 0.00 H new ATOM 0 HG21 THR B 31 -7.196 -2.157 3.821 1.00 0.00 H new ATOM 0 HG22 THR B 31 -6.748 -2.068 2.101 1.00 0.00 H new ATOM 0 HG23 THR B 31 -8.354 -2.674 2.573 1.00 0.00 H new ATOM 1539 N SER B 32 -4.874 -5.978 2.039 1.00 0.00 N ATOM 1540 CA SER B 32 -4.016 -7.194 2.087 1.00 0.00 C ATOM 1541 C SER B 32 -4.281 -7.951 3.387 1.00 0.00 C ATOM 1542 O SER B 32 -5.390 -7.997 3.880 1.00 0.00 O ATOM 1543 CB SER B 32 -2.546 -6.778 2.035 1.00 0.00 C ATOM 1544 OG SER B 32 -1.741 -7.929 1.812 1.00 0.00 O ATOM 0 H SER B 32 -4.438 -5.131 2.404 1.00 0.00 H new ATOM 0 HA SER B 32 -4.246 -7.837 1.237 1.00 0.00 H new ATOM 0 HB2 SER B 32 -2.390 -6.051 1.238 1.00 0.00 H new ATOM 0 HB3 SER B 32 -2.259 -6.295 2.969 1.00 0.00 H new ATOM 0 HG SER B 32 -0.934 -7.673 1.318 1.00 0.00 H new ATOM 1550 N SER B 33 -3.262 -8.544 3.943 1.00 0.00 N ATOM 1551 CA SER B 33 -3.425 -9.308 5.217 1.00 0.00 C ATOM 1552 C SER B 33 -2.196 -9.076 6.089 1.00 0.00 C ATOM 1553 O SER B 33 -2.280 -8.999 7.298 1.00 0.00 O ATOM 1554 CB SER B 33 -3.531 -10.794 4.896 1.00 0.00 C ATOM 1555 OG SER B 33 -2.227 -11.324 4.692 1.00 0.00 O ATOM 0 H SER B 33 -2.314 -8.533 3.568 1.00 0.00 H new ATOM 0 HA SER B 33 -4.323 -8.977 5.739 1.00 0.00 H new ATOM 0 HB2 SER B 33 -4.026 -11.320 5.712 1.00 0.00 H new ATOM 0 HB3 SER B 33 -4.140 -10.943 4.005 1.00 0.00 H new ATOM 0 HG SER B 33 -2.291 -12.280 4.487 1.00 0.00 H new ATOM 1561 N LEU B 34 -1.054 -8.973 5.467 1.00 0.00 N ATOM 1562 CA LEU B 34 0.218 -8.749 6.215 1.00 0.00 C ATOM 1563 C LEU B 34 -0.005 -7.763 7.362 1.00 0.00 C ATOM 1564 O LEU B 34 0.260 -8.056 8.510 1.00 0.00 O ATOM 1565 CB LEU B 34 1.272 -8.173 5.265 1.00 0.00 C ATOM 1566 CG LEU B 34 1.228 -8.906 3.923 1.00 0.00 C ATOM 1567 CD1 LEU B 34 2.402 -8.445 3.055 1.00 0.00 C ATOM 1568 CD2 LEU B 34 1.323 -10.417 4.158 1.00 0.00 C ATOM 0 H LEU B 34 -0.946 -9.036 4.455 1.00 0.00 H new ATOM 0 HA LEU B 34 0.557 -9.702 6.621 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.093 -7.109 5.113 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.263 -8.269 5.708 1.00 0.00 H new ATOM 0 HG LEU B 34 0.290 -8.681 3.416 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.373 -8.966 2.098 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.330 -7.371 2.886 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.340 -8.670 3.562 1.00 0.00 H new ATOM 0 HD21 LEU B 34 1.291 -10.937 3.200 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.259 -10.648 4.666 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.486 -10.743 4.775 1.00 0.00 H new ATOM 1580 N CYS B 35 -0.485 -6.592 7.053 1.00 0.00 N ATOM 1581 CA CYS B 35 -0.720 -5.585 8.122 1.00 0.00 C ATOM 1582 C CYS B 35 -1.898 -6.036 8.992 1.00 0.00 C ATOM 1583 O CYS B 35 -2.944 -6.402 8.500 1.00 0.00 O ATOM 1584 CB CYS B 35 -1.016 -4.221 7.489 1.00 0.00 C ATOM 1585 SG CYS B 35 -2.066 -4.433 6.030 1.00 0.00 S ATOM 0 H CYS B 35 -0.724 -6.290 6.109 1.00 0.00 H new ATOM 0 HA CYS B 35 0.169 -5.495 8.746 1.00 0.00 H new ATOM 0 HB2 CYS B 35 -1.511 -3.574 8.213 1.00 0.00 H new ATOM 0 HB3 CYS B 35 -0.084 -3.731 7.209 1.00 0.00 H new ATOM 1590 N SER B 36 -1.719 -6.040 10.283 1.00 0.00 N ATOM 1591 CA SER B 36 -2.809 -6.483 11.203 1.00 0.00 C ATOM 1592 C SER B 36 -4.011 -5.526 11.161 1.00 0.00 C ATOM 1593 O SER B 36 -4.695 -5.359 12.151 1.00 0.00 O ATOM 1594 CB SER B 36 -2.265 -6.538 12.631 1.00 0.00 C ATOM 1595 OG SER B 36 -2.233 -5.224 13.172 1.00 0.00 O ATOM 0 H SER B 36 -0.857 -5.753 10.747 1.00 0.00 H new ATOM 0 HA SER B 36 -3.147 -7.467 10.879 1.00 0.00 H new ATOM 0 HB2 SER B 36 -2.892 -7.182 13.247 1.00 0.00 H new ATOM 0 HB3 SER B 36 -1.264 -6.970 12.635 1.00 0.00 H new ATOM 0 HG SER B 36 -3.148 -4.920 13.347 1.00 0.00 H new ATOM 1601 N GLN B 37 -4.290 -4.888 10.051 1.00 0.00 N ATOM 1602 CA GLN B 37 -5.463 -3.956 10.022 1.00 0.00 C ATOM 1603 C GLN B 37 -6.015 -3.806 8.597 1.00 0.00 C ATOM 1604 O GLN B 37 -5.935 -2.738 8.028 1.00 0.00 O ATOM 1605 CB GLN B 37 -5.027 -2.582 10.544 1.00 0.00 C ATOM 1606 CG GLN B 37 -3.701 -2.179 9.893 1.00 0.00 C ATOM 1607 CD GLN B 37 -3.412 -0.708 10.199 1.00 0.00 C ATOM 1608 OE1 GLN B 37 -3.825 -0.195 11.220 1.00 0.00 O ATOM 1609 NE2 GLN B 37 -2.713 -0.004 9.351 1.00 0.00 N ATOM 0 H GLN B 37 -3.768 -4.968 9.178 1.00 0.00 H new ATOM 0 HA GLN B 37 -6.249 -4.369 10.653 1.00 0.00 H new ATOM 0 HB2 GLN B 37 -5.793 -1.838 10.322 1.00 0.00 H new ATOM 0 HB3 GLN B 37 -4.916 -2.612 11.628 1.00 0.00 H new ATOM 0 HG2 GLN B 37 -2.893 -2.806 10.270 1.00 0.00 H new ATOM 0 HG3 GLN B 37 -3.750 -2.335 8.815 1.00 0.00 H new ATOM 0 HE21 GLN B 37 -2.366 -0.435 8.494 1.00 0.00 H new ATOM 0 HE22 GLN B 37 -2.513 0.977 9.545 1.00 0.00 H new ATOM 1618 N PRO B 38 -6.583 -4.867 8.063 1.00 0.00 N ATOM 1619 CA PRO B 38 -7.172 -4.830 6.709 1.00 0.00 C ATOM 1620 C PRO B 38 -8.445 -3.969 6.735 1.00 0.00 C ATOM 1621 O PRO B 38 -8.861 -3.485 7.768 1.00 0.00 O ATOM 1622 CB PRO B 38 -7.505 -6.306 6.387 1.00 0.00 C ATOM 1623 CG PRO B 38 -7.290 -7.128 7.692 1.00 0.00 C ATOM 1624 CD PRO B 38 -6.678 -6.176 8.746 1.00 0.00 C ATOM 0 HA PRO B 38 -6.507 -4.398 5.961 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.534 -6.400 6.039 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -6.863 -6.679 5.589 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -8.236 -7.537 8.048 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -6.627 -7.973 7.508 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -7.306 -6.114 9.635 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -5.698 -6.524 9.072 1.00 0.00 H new ATOM 1632 N ALA B 39 -9.059 -3.787 5.604 1.00 0.00 N ATOM 1633 CA ALA B 39 -10.301 -2.976 5.535 1.00 0.00 C ATOM 1634 C ALA B 39 -10.921 -3.178 4.155 1.00 0.00 C ATOM 1635 O ALA B 39 -10.319 -3.775 3.286 1.00 0.00 O ATOM 1636 CB ALA B 39 -9.962 -1.498 5.736 1.00 0.00 C ATOM 0 H ALA B 39 -8.749 -4.171 4.712 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.999 -3.284 6.313 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -10.875 -0.905 5.685 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -9.495 -1.361 6.711 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -9.274 -1.173 4.955 1.00 0.00 H new ATOM 1642 N VAL B 40 -12.105 -2.674 3.932 1.00 0.00 N ATOM 1643 CA VAL B 40 -12.739 -2.830 2.587 1.00 0.00 C ATOM 1644 C VAL B 40 -12.506 -1.539 1.807 1.00 0.00 C ATOM 1645 O VAL B 40 -12.497 -0.461 2.369 1.00 0.00 O ATOM 1646 CB VAL B 40 -14.245 -3.083 2.746 1.00 0.00 C ATOM 1647 CG1 VAL B 40 -14.957 -2.856 1.408 1.00 0.00 C ATOM 1648 CG2 VAL B 40 -14.465 -4.528 3.187 1.00 0.00 C ATOM 0 H VAL B 40 -12.660 -2.163 4.618 1.00 0.00 H new ATOM 0 HA VAL B 40 -12.303 -3.677 2.057 1.00 0.00 H new ATOM 0 HB VAL B 40 -14.648 -2.397 3.491 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -16.025 -3.037 1.529 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -14.798 -1.828 1.081 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -14.555 -3.541 0.661 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -15.533 -4.715 3.302 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -14.057 -5.204 2.435 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -13.962 -4.698 4.139 1.00 0.00 H new ATOM 1658 N VAL B 41 -12.305 -1.645 0.519 1.00 0.00 N ATOM 1659 CA VAL B 41 -12.054 -0.429 -0.320 1.00 0.00 C ATOM 1660 C VAL B 41 -13.124 -0.319 -1.407 1.00 0.00 C ATOM 1661 O VAL B 41 -13.240 -1.165 -2.264 1.00 0.00 O ATOM 1662 CB VAL B 41 -10.667 -0.540 -0.958 1.00 0.00 C ATOM 1663 CG1 VAL B 41 -10.202 0.837 -1.429 1.00 0.00 C ATOM 1664 CG2 VAL B 41 -9.677 -1.075 0.082 1.00 0.00 C ATOM 0 H VAL B 41 -12.303 -2.527 0.006 1.00 0.00 H new ATOM 0 HA VAL B 41 -12.097 0.464 0.304 1.00 0.00 H new ATOM 0 HB VAL B 41 -10.715 -1.217 -1.811 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -9.214 0.752 -1.882 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -10.906 1.227 -2.164 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -10.153 1.516 -0.577 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -8.687 -1.156 -0.366 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -9.636 -0.392 0.930 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -10.003 -2.058 0.423 1.00 0.00 H new ATOM 1674 N PHE B 42 -13.917 0.720 -1.378 1.00 0.00 N ATOM 1675 CA PHE B 42 -14.986 0.874 -2.410 1.00 0.00 C ATOM 1676 C PHE B 42 -14.446 1.642 -3.619 1.00 0.00 C ATOM 1677 O PHE B 42 -13.790 2.656 -3.485 1.00 0.00 O ATOM 1678 CB PHE B 42 -16.167 1.651 -1.818 1.00 0.00 C ATOM 1679 CG PHE B 42 -16.952 0.762 -0.879 1.00 0.00 C ATOM 1680 CD1 PHE B 42 -17.625 -0.371 -1.377 1.00 0.00 C ATOM 1681 CD2 PHE B 42 -17.021 1.072 0.495 1.00 0.00 C ATOM 1682 CE1 PHE B 42 -18.362 -1.194 -0.505 1.00 0.00 C ATOM 1683 CE2 PHE B 42 -17.760 0.251 1.365 1.00 0.00 C ATOM 1684 CZ PHE B 42 -18.430 -0.884 0.866 1.00 0.00 C ATOM 0 H PHE B 42 -13.871 1.468 -0.686 1.00 0.00 H new ATOM 0 HA PHE B 42 -15.312 -0.117 -2.725 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -15.804 2.529 -1.283 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -16.814 2.010 -2.618 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -17.575 -0.608 -2.429 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -16.506 1.940 0.879 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -18.875 -2.064 -0.888 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -17.814 0.490 2.417 1.00 0.00 H new ATOM 0 HZ PHE B 42 -18.995 -1.516 1.535 1.00 0.00 H new ATOM 1694 N GLN B 43 -14.744 1.172 -4.799 1.00 0.00 N ATOM 1695 CA GLN B 43 -14.289 1.864 -6.040 1.00 0.00 C ATOM 1696 C GLN B 43 -15.473 2.672 -6.581 1.00 0.00 C ATOM 1697 O GLN B 43 -16.530 2.127 -6.839 1.00 0.00 O ATOM 1698 CB GLN B 43 -13.854 0.809 -7.060 1.00 0.00 C ATOM 1699 CG GLN B 43 -12.611 0.084 -6.541 1.00 0.00 C ATOM 1700 CD GLN B 43 -12.366 -1.173 -7.379 1.00 0.00 C ATOM 1701 OE1 GLN B 43 -11.491 -1.194 -8.221 1.00 0.00 O ATOM 1702 NE2 GLN B 43 -13.106 -2.228 -7.181 1.00 0.00 N ATOM 0 H GLN B 43 -15.291 0.326 -4.959 1.00 0.00 H new ATOM 0 HA GLN B 43 -13.447 2.528 -5.841 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -14.661 0.096 -7.229 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -13.640 1.281 -8.019 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -11.744 0.743 -6.593 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -12.745 -0.185 -5.493 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -13.841 -2.210 -6.474 1.00 0.00 H new ATOM 0 HE22 GLN B 43 -12.950 -3.071 -7.733 1.00 0.00 H new ATOM 1711 N THR B 44 -15.334 3.972 -6.713 1.00 0.00 N ATOM 1712 CA THR B 44 -16.493 4.803 -7.187 1.00 0.00 C ATOM 1713 C THR B 44 -16.417 5.096 -8.685 1.00 0.00 C ATOM 1714 O THR B 44 -15.599 4.562 -9.407 1.00 0.00 O ATOM 1715 CB THR B 44 -16.507 6.128 -6.426 1.00 0.00 C ATOM 1716 OG1 THR B 44 -15.558 7.012 -7.005 1.00 0.00 O ATOM 1717 CG2 THR B 44 -16.150 5.881 -4.960 1.00 0.00 C ATOM 0 H THR B 44 -14.478 4.490 -6.516 1.00 0.00 H new ATOM 0 HA THR B 44 -17.404 4.235 -7.000 1.00 0.00 H new ATOM 0 HB THR B 44 -17.501 6.571 -6.484 1.00 0.00 H new ATOM 0 HG1 THR B 44 -15.730 7.925 -6.694 1.00 0.00 H new ATOM 0 HG21 THR B 44 -16.160 6.827 -4.419 1.00 0.00 H new ATOM 0 HG22 THR B 44 -16.879 5.202 -4.518 1.00 0.00 H new ATOM 0 HG23 THR B 44 -15.156 5.438 -4.897 1.00 0.00 H new ATOM 1725 N LYS B 45 -17.302 5.946 -9.144 1.00 0.00 N ATOM 1726 CA LYS B 45 -17.357 6.313 -10.590 1.00 0.00 C ATOM 1727 C LYS B 45 -16.619 7.636 -10.835 1.00 0.00 C ATOM 1728 O LYS B 45 -16.236 7.935 -11.948 1.00 0.00 O ATOM 1729 CB LYS B 45 -18.826 6.475 -10.994 1.00 0.00 C ATOM 1730 CG LYS B 45 -19.653 5.344 -10.381 1.00 0.00 C ATOM 1731 CD LYS B 45 -21.088 5.420 -10.905 1.00 0.00 C ATOM 1732 CE LYS B 45 -21.862 4.179 -10.459 1.00 0.00 C ATOM 1733 NZ LYS B 45 -23.321 4.403 -10.663 1.00 0.00 N ATOM 0 H LYS B 45 -18.002 6.409 -8.564 1.00 0.00 H new ATOM 0 HA LYS B 45 -16.879 5.531 -11.180 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -19.203 7.440 -10.655 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -18.919 6.460 -12.080 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -19.213 4.379 -10.633 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -19.647 5.423 -9.294 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -21.576 6.320 -10.530 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -21.086 5.488 -11.993 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -21.534 3.309 -11.028 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -21.659 3.969 -9.409 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -23.827 4.227 -9.772 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -23.483 5.385 -10.965 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -23.673 3.753 -11.395 1.00 0.00 H new ATOM 1747 N ARG B 46 -16.426 8.436 -9.810 1.00 0.00 N ATOM 1748 CA ARG B 46 -15.719 9.749 -9.995 1.00 0.00 C ATOM 1749 C ARG B 46 -14.705 9.928 -8.861 1.00 0.00 C ATOM 1750 O ARG B 46 -14.702 10.916 -8.160 1.00 0.00 O ATOM 1751 CB ARG B 46 -16.752 10.893 -9.966 1.00 0.00 C ATOM 1752 CG ARG B 46 -16.213 12.155 -10.677 1.00 0.00 C ATOM 1753 CD ARG B 46 -15.251 12.941 -9.772 1.00 0.00 C ATOM 1754 NE ARG B 46 -15.149 14.343 -10.262 1.00 0.00 N ATOM 1755 CZ ARG B 46 -14.653 15.270 -9.488 1.00 0.00 C ATOM 1756 NH1 ARG B 46 -14.251 14.968 -8.284 1.00 0.00 N ATOM 1757 NH2 ARG B 46 -14.560 16.499 -9.918 1.00 0.00 N ATOM 0 H ARG B 46 -16.726 8.238 -8.856 1.00 0.00 H new ATOM 0 HA ARG B 46 -15.199 9.765 -10.953 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -17.673 10.566 -10.449 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -17.002 11.134 -8.933 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -15.699 11.866 -11.594 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -17.046 12.795 -10.967 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -15.610 12.929 -8.743 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -14.267 12.471 -9.772 1.00 0.00 H new ATOM 0 HE ARG B 46 -15.467 14.579 -11.202 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -14.324 14.008 -7.948 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -13.863 15.692 -7.679 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -14.875 16.735 -10.859 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -14.172 17.223 -9.313 1.00 0.00 H new ATOM 1771 N SER B 47 -13.837 8.974 -8.684 1.00 0.00 N ATOM 1772 CA SER B 47 -12.815 9.077 -7.620 1.00 0.00 C ATOM 1773 C SER B 47 -11.765 7.993 -7.868 1.00 0.00 C ATOM 1774 O SER B 47 -11.130 7.963 -8.904 1.00 0.00 O ATOM 1775 CB SER B 47 -13.473 8.921 -6.239 1.00 0.00 C ATOM 1776 OG SER B 47 -14.738 9.566 -6.246 1.00 0.00 O ATOM 0 H SER B 47 -13.795 8.120 -9.240 1.00 0.00 H new ATOM 0 HA SER B 47 -12.334 10.055 -7.638 1.00 0.00 H new ATOM 0 HB2 SER B 47 -13.592 7.865 -5.997 1.00 0.00 H new ATOM 0 HB3 SER B 47 -12.835 9.354 -5.469 1.00 0.00 H new ATOM 0 HG SER B 47 -14.643 10.469 -6.614 1.00 0.00 H new ATOM 1782 N LYS B 48 -11.584 7.099 -6.950 1.00 0.00 N ATOM 1783 CA LYS B 48 -10.588 6.012 -7.143 1.00 0.00 C ATOM 1784 C LYS B 48 -10.979 4.857 -6.233 1.00 0.00 C ATOM 1785 O LYS B 48 -11.914 4.129 -6.500 1.00 0.00 O ATOM 1786 CB LYS B 48 -9.188 6.517 -6.767 1.00 0.00 C ATOM 1787 CG LYS B 48 -8.704 7.538 -7.802 1.00 0.00 C ATOM 1788 CD LYS B 48 -7.196 7.750 -7.645 1.00 0.00 C ATOM 1789 CE LYS B 48 -6.702 8.715 -8.724 1.00 0.00 C ATOM 1790 NZ LYS B 48 -6.900 8.101 -10.068 1.00 0.00 N ATOM 0 H LYS B 48 -12.087 7.070 -6.063 1.00 0.00 H new ATOM 0 HA LYS B 48 -10.572 5.690 -8.184 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -9.211 6.973 -5.777 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -8.492 5.680 -6.717 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -8.929 7.186 -8.809 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -9.230 8.483 -7.670 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -6.975 8.150 -6.655 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -6.673 6.797 -7.727 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -7.245 9.658 -8.660 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -5.648 8.943 -8.568 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -6.257 8.549 -10.752 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -6.697 7.082 -10.018 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -7.884 8.243 -10.373 1.00 0.00 H new ATOM 1804 N GLN B 49 -10.280 4.714 -5.140 1.00 0.00 N ATOM 1805 CA GLN B 49 -10.589 3.640 -4.153 1.00 0.00 C ATOM 1806 C GLN B 49 -10.847 4.334 -2.807 1.00 0.00 C ATOM 1807 O GLN B 49 -10.225 5.335 -2.494 1.00 0.00 O ATOM 1808 CB GLN B 49 -9.400 2.645 -4.046 1.00 0.00 C ATOM 1809 CG GLN B 49 -8.433 2.801 -5.233 1.00 0.00 C ATOM 1810 CD GLN B 49 -9.115 2.326 -6.518 1.00 0.00 C ATOM 1811 OE1 GLN B 49 -9.450 1.166 -6.644 1.00 0.00 O ATOM 1812 NE2 GLN B 49 -9.328 3.174 -7.486 1.00 0.00 N ATOM 0 H GLN B 49 -9.492 5.309 -4.885 1.00 0.00 H new ATOM 0 HA GLN B 49 -11.461 3.063 -4.460 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -8.864 2.815 -3.112 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -9.779 1.624 -4.015 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -8.131 3.843 -5.334 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -7.527 2.222 -5.055 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -9.047 4.149 -7.381 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -9.776 2.862 -8.348 1.00 0.00 H new ATOM 1821 N VAL B 50 -11.771 3.839 -2.021 1.00 0.00 N ATOM 1822 CA VAL B 50 -12.081 4.494 -0.706 1.00 0.00 C ATOM 1823 C VAL B 50 -12.105 3.454 0.400 1.00 0.00 C ATOM 1824 O VAL B 50 -12.905 2.546 0.390 1.00 0.00 O ATOM 1825 CB VAL B 50 -13.451 5.178 -0.795 1.00 0.00 C ATOM 1826 CG1 VAL B 50 -13.605 6.166 0.369 1.00 0.00 C ATOM 1827 CG2 VAL B 50 -13.561 5.915 -2.142 1.00 0.00 C ATOM 0 H VAL B 50 -12.326 3.009 -2.231 1.00 0.00 H new ATOM 0 HA VAL B 50 -11.312 5.233 -0.481 1.00 0.00 H new ATOM 0 HB VAL B 50 -14.245 4.434 -0.731 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -14.578 6.653 0.307 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -13.528 5.629 1.315 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -12.819 6.919 0.314 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -14.533 6.403 -2.211 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -12.773 6.664 -2.212 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -13.455 5.200 -2.958 1.00 0.00 H new ATOM 1837 N CYS B 51 -11.242 3.597 1.363 1.00 0.00 N ATOM 1838 CA CYS B 51 -11.205 2.622 2.481 1.00 0.00 C ATOM 1839 C CYS B 51 -12.433 2.830 3.362 1.00 0.00 C ATOM 1840 O CYS B 51 -12.899 3.937 3.542 1.00 0.00 O ATOM 1841 CB CYS B 51 -9.939 2.850 3.305 1.00 0.00 C ATOM 1842 SG CYS B 51 -8.488 2.405 2.316 1.00 0.00 S ATOM 0 H CYS B 51 -10.558 4.351 1.423 1.00 0.00 H new ATOM 0 HA CYS B 51 -11.204 1.605 2.089 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -9.876 3.893 3.614 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -9.971 2.250 4.214 1.00 0.00 H new ATOM 1847 N ALA B 52 -12.971 1.764 3.897 1.00 0.00 N ATOM 1848 CA ALA B 52 -14.187 1.879 4.757 1.00 0.00 C ATOM 1849 C ALA B 52 -14.038 0.967 5.976 1.00 0.00 C ATOM 1850 O ALA B 52 -13.613 -0.169 5.868 1.00 0.00 O ATOM 1851 CB ALA B 52 -15.414 1.445 3.953 1.00 0.00 C ATOM 0 H ALA B 52 -12.619 0.815 3.774 1.00 0.00 H new ATOM 0 HA ALA B 52 -14.305 2.912 5.085 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -16.305 1.527 4.576 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -15.522 2.087 3.079 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -15.291 0.411 3.630 1.00 0.00 H new ATOM 1857 N ASP B 53 -14.385 1.460 7.132 1.00 0.00 N ATOM 1858 CA ASP B 53 -14.268 0.632 8.365 1.00 0.00 C ATOM 1859 C ASP B 53 -15.289 -0.531 8.300 1.00 0.00 C ATOM 1860 O ASP B 53 -16.474 -0.269 8.262 1.00 0.00 O ATOM 1861 CB ASP B 53 -14.593 1.505 9.580 1.00 0.00 C ATOM 1862 CG ASP B 53 -13.781 2.800 9.512 1.00 0.00 C ATOM 1863 OD1 ASP B 53 -13.950 3.532 8.551 1.00 0.00 O ATOM 1864 OD2 ASP B 53 -13.005 3.037 10.423 1.00 0.00 O ATOM 0 H ASP B 53 -14.746 2.403 7.277 1.00 0.00 H new ATOM 0 HA ASP B 53 -13.257 0.233 8.446 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -15.659 1.733 9.603 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -14.362 0.967 10.499 1.00 0.00 H new ATOM 1869 N PRO B 54 -14.842 -1.783 8.289 1.00 0.00 N ATOM 1870 CA PRO B 54 -15.788 -2.919 8.228 1.00 0.00 C ATOM 1871 C PRO B 54 -16.724 -2.890 9.446 1.00 0.00 C ATOM 1872 O PRO B 54 -17.637 -3.683 9.558 1.00 0.00 O ATOM 1873 CB PRO B 54 -14.900 -4.184 8.242 1.00 0.00 C ATOM 1874 CG PRO B 54 -13.416 -3.719 8.283 1.00 0.00 C ATOM 1875 CD PRO B 54 -13.412 -2.175 8.330 1.00 0.00 C ATOM 0 HA PRO B 54 -16.423 -2.886 7.343 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -15.131 -4.804 9.108 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -15.086 -4.792 7.357 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -12.910 -4.130 9.156 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -12.878 -4.077 7.405 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -12.929 -1.810 9.236 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.864 -1.756 7.486 1.00 0.00 H new ATOM 1883 N SER B 55 -16.488 -1.995 10.362 1.00 0.00 N ATOM 1884 CA SER B 55 -17.347 -1.928 11.579 1.00 0.00 C ATOM 1885 C SER B 55 -18.687 -1.268 11.243 1.00 0.00 C ATOM 1886 O SER B 55 -19.661 -1.435 11.949 1.00 0.00 O ATOM 1887 CB SER B 55 -16.635 -1.108 12.656 1.00 0.00 C ATOM 1888 OG SER B 55 -17.505 -0.935 13.767 1.00 0.00 O ATOM 0 H SER B 55 -15.737 -1.306 10.322 1.00 0.00 H new ATOM 0 HA SER B 55 -17.529 -2.939 11.942 1.00 0.00 H new ATOM 0 HB2 SER B 55 -15.722 -1.614 12.970 1.00 0.00 H new ATOM 0 HB3 SER B 55 -16.341 -0.138 12.255 1.00 0.00 H new ATOM 0 HG SER B 55 -17.051 -0.411 14.460 1.00 0.00 H new ATOM 1894 N GLU B 56 -18.752 -0.525 10.172 1.00 0.00 N ATOM 1895 CA GLU B 56 -20.039 0.134 9.804 1.00 0.00 C ATOM 1896 C GLU B 56 -20.935 -0.878 9.079 1.00 0.00 C ATOM 1897 O GLU B 56 -20.592 -1.408 8.039 1.00 0.00 O ATOM 1898 CB GLU B 56 -19.760 1.333 8.895 1.00 0.00 C ATOM 1899 CG GLU B 56 -19.319 2.532 9.739 1.00 0.00 C ATOM 1900 CD GLU B 56 -20.530 3.120 10.466 1.00 0.00 C ATOM 1901 OE1 GLU B 56 -21.454 3.543 9.792 1.00 0.00 O ATOM 1902 OE2 GLU B 56 -20.512 3.135 11.686 1.00 0.00 O ATOM 0 H GLU B 56 -17.974 -0.346 9.538 1.00 0.00 H new ATOM 0 HA GLU B 56 -20.545 0.483 10.704 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -18.984 1.080 8.172 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -20.655 1.586 8.327 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -18.563 2.223 10.461 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -18.861 3.289 9.102 1.00 0.00 H new ATOM 1909 N SER B 57 -22.074 -1.153 9.643 1.00 0.00 N ATOM 1910 CA SER B 57 -23.014 -2.136 9.035 1.00 0.00 C ATOM 1911 C SER B 57 -23.264 -1.834 7.554 1.00 0.00 C ATOM 1912 O SER B 57 -23.372 -2.735 6.747 1.00 0.00 O ATOM 1913 CB SER B 57 -24.343 -2.089 9.788 1.00 0.00 C ATOM 1914 OG SER B 57 -25.060 -0.924 9.402 1.00 0.00 O ATOM 0 H SER B 57 -22.400 -0.733 10.513 1.00 0.00 H new ATOM 0 HA SER B 57 -22.565 -3.127 9.109 1.00 0.00 H new ATOM 0 HB2 SER B 57 -24.930 -2.981 9.569 1.00 0.00 H new ATOM 0 HB3 SER B 57 -24.165 -2.081 10.863 1.00 0.00 H new ATOM 0 HG SER B 57 -25.914 -0.891 9.882 1.00 0.00 H new ATOM 1920 N TRP B 58 -23.385 -0.589 7.181 1.00 0.00 N ATOM 1921 CA TRP B 58 -23.657 -0.288 5.747 1.00 0.00 C ATOM 1922 C TRP B 58 -22.515 -0.819 4.887 1.00 0.00 C ATOM 1923 O TRP B 58 -22.713 -1.222 3.761 1.00 0.00 O ATOM 1924 CB TRP B 58 -23.867 1.219 5.533 1.00 0.00 C ATOM 1925 CG TRP B 58 -22.571 1.971 5.536 1.00 0.00 C ATOM 1926 CD1 TRP B 58 -22.140 2.756 6.549 1.00 0.00 C ATOM 1927 CD2 TRP B 58 -21.556 2.058 4.491 1.00 0.00 C ATOM 1928 NE1 TRP B 58 -20.928 3.321 6.198 1.00 0.00 N ATOM 1929 CE2 TRP B 58 -20.519 2.918 4.945 1.00 0.00 C ATOM 1930 CE3 TRP B 58 -21.427 1.481 3.205 1.00 0.00 C ATOM 1931 CZ2 TRP B 58 -19.396 3.197 4.154 1.00 0.00 C ATOM 1932 CZ3 TRP B 58 -20.296 1.759 2.406 1.00 0.00 C ATOM 1933 CH2 TRP B 58 -19.283 2.614 2.883 1.00 0.00 C ATOM 0 H TRP B 58 -23.309 0.221 7.796 1.00 0.00 H new ATOM 0 HA TRP B 58 -24.578 -0.787 5.447 1.00 0.00 H new ATOM 0 HB2 TRP B 58 -24.379 1.383 4.585 1.00 0.00 H new ATOM 0 HB3 TRP B 58 -24.515 1.610 6.317 1.00 0.00 H new ATOM 0 HD1 TRP B 58 -22.659 2.916 7.482 1.00 0.00 H new ATOM 0 HE1 TRP B 58 -20.400 3.959 6.794 1.00 0.00 H new ATOM 0 HE3 TRP B 58 -22.199 0.824 2.832 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 -18.623 3.856 4.520 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 -20.207 1.314 1.426 1.00 0.00 H new ATOM 0 HH2 TRP B 58 -18.419 2.821 2.270 1.00 0.00 H new ATOM 1944 N VAL B 59 -21.327 -0.858 5.412 1.00 0.00 N ATOM 1945 CA VAL B 59 -20.196 -1.392 4.612 1.00 0.00 C ATOM 1946 C VAL B 59 -20.445 -2.872 4.357 1.00 0.00 C ATOM 1947 O VAL B 59 -20.299 -3.357 3.254 1.00 0.00 O ATOM 1948 CB VAL B 59 -18.896 -1.207 5.389 1.00 0.00 C ATOM 1949 CG1 VAL B 59 -17.728 -1.807 4.600 1.00 0.00 C ATOM 1950 CG2 VAL B 59 -18.667 0.287 5.602 1.00 0.00 C ATOM 0 H VAL B 59 -21.090 -0.546 6.354 1.00 0.00 H new ATOM 0 HA VAL B 59 -20.117 -0.862 3.663 1.00 0.00 H new ATOM 0 HB VAL B 59 -18.962 -1.714 6.352 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -16.803 -1.672 5.160 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -17.904 -2.871 4.442 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -17.645 -1.306 3.636 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -17.741 0.438 6.157 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -18.596 0.786 4.635 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -19.500 0.706 6.166 1.00 0.00 H new ATOM 1960 N GLN B 60 -20.842 -3.590 5.364 1.00 0.00 N ATOM 1961 CA GLN B 60 -21.122 -5.038 5.169 1.00 0.00 C ATOM 1962 C GLN B 60 -22.307 -5.195 4.211 1.00 0.00 C ATOM 1963 O GLN B 60 -22.331 -6.075 3.375 1.00 0.00 O ATOM 1964 CB GLN B 60 -21.460 -5.681 6.515 1.00 0.00 C ATOM 1965 CG GLN B 60 -21.393 -7.204 6.386 1.00 0.00 C ATOM 1966 CD GLN B 60 -19.931 -7.646 6.309 1.00 0.00 C ATOM 1967 OE1 GLN B 60 -19.036 -6.824 6.304 1.00 0.00 O ATOM 1968 NE2 GLN B 60 -19.648 -8.918 6.247 1.00 0.00 N ATOM 0 H GLN B 60 -20.985 -3.241 6.312 1.00 0.00 H new ATOM 0 HA GLN B 60 -20.244 -5.529 4.749 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -20.761 -5.339 7.279 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -22.456 -5.376 6.835 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -21.881 -7.674 7.240 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -21.929 -7.528 5.494 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -20.399 -9.608 6.251 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -18.676 -9.222 6.194 1.00 0.00 H new ATOM 1977 N GLU B 61 -23.289 -4.344 4.331 1.00 0.00 N ATOM 1978 CA GLU B 61 -24.479 -4.434 3.435 1.00 0.00 C ATOM 1979 C GLU B 61 -24.069 -4.133 1.989 1.00 0.00 C ATOM 1980 O GLU B 61 -24.410 -4.857 1.074 1.00 0.00 O ATOM 1981 CB GLU B 61 -25.535 -3.420 3.890 1.00 0.00 C ATOM 1982 CG GLU B 61 -26.823 -3.602 3.075 1.00 0.00 C ATOM 1983 CD GLU B 61 -26.664 -2.945 1.701 1.00 0.00 C ATOM 1984 OE1 GLU B 61 -26.766 -1.732 1.631 1.00 0.00 O ATOM 1985 OE2 GLU B 61 -26.447 -3.668 0.743 1.00 0.00 O ATOM 0 H GLU B 61 -23.319 -3.587 5.014 1.00 0.00 H new ATOM 0 HA GLU B 61 -24.892 -5.442 3.486 1.00 0.00 H new ATOM 0 HB2 GLU B 61 -25.745 -3.552 4.951 1.00 0.00 H new ATOM 0 HB3 GLU B 61 -25.155 -2.406 3.764 1.00 0.00 H new ATOM 0 HG2 GLU B 61 -27.043 -4.663 2.958 1.00 0.00 H new ATOM 0 HG3 GLU B 61 -27.666 -3.158 3.605 1.00 0.00 H new ATOM 1992 N TYR B 62 -23.348 -3.069 1.779 1.00 0.00 N ATOM 1993 CA TYR B 62 -22.922 -2.716 0.392 1.00 0.00 C ATOM 1994 C TYR B 62 -22.037 -3.830 -0.171 1.00 0.00 C ATOM 1995 O TYR B 62 -22.103 -4.153 -1.341 1.00 0.00 O ATOM 1996 CB TYR B 62 -22.141 -1.389 0.408 1.00 0.00 C ATOM 1997 CG TYR B 62 -23.093 -0.204 0.416 1.00 0.00 C ATOM 1998 CD1 TYR B 62 -24.145 -0.129 1.353 1.00 0.00 C ATOM 1999 CD2 TYR B 62 -22.917 0.837 -0.520 1.00 0.00 C ATOM 2000 CE1 TYR B 62 -25.015 0.979 1.351 1.00 0.00 C ATOM 2001 CE2 TYR B 62 -23.788 1.943 -0.520 1.00 0.00 C ATOM 2002 CZ TYR B 62 -24.837 2.013 0.415 1.00 0.00 C ATOM 2003 OH TYR B 62 -25.689 3.099 0.416 1.00 0.00 O ATOM 0 H TYR B 62 -23.034 -2.426 2.506 1.00 0.00 H new ATOM 0 HA TYR B 62 -23.804 -2.603 -0.238 1.00 0.00 H new ATOM 0 HB2 TYR B 62 -21.498 -1.351 1.287 1.00 0.00 H new ATOM 0 HB3 TYR B 62 -21.491 -1.334 -0.465 1.00 0.00 H new ATOM 0 HD1 TYR B 62 -24.284 -0.922 2.073 1.00 0.00 H new ATOM 0 HD2 TYR B 62 -22.112 0.785 -1.238 1.00 0.00 H new ATOM 0 HE1 TYR B 62 -25.820 1.034 2.069 1.00 0.00 H new ATOM 0 HE2 TYR B 62 -23.651 2.738 -1.238 1.00 0.00 H new ATOM 0 HH TYR B 62 -25.426 3.722 -0.293 1.00 0.00 H new ATOM 2013 N VAL B 63 -21.215 -4.430 0.647 1.00 0.00 N ATOM 2014 CA VAL B 63 -20.346 -5.524 0.146 1.00 0.00 C ATOM 2015 C VAL B 63 -21.236 -6.691 -0.256 1.00 0.00 C ATOM 2016 O VAL B 63 -21.010 -7.353 -1.247 1.00 0.00 O ATOM 2017 CB VAL B 63 -19.385 -5.958 1.257 1.00 0.00 C ATOM 2018 CG1 VAL B 63 -18.668 -7.250 0.853 1.00 0.00 C ATOM 2019 CG2 VAL B 63 -18.350 -4.855 1.492 1.00 0.00 C ATOM 0 H VAL B 63 -21.110 -4.208 1.637 1.00 0.00 H new ATOM 0 HA VAL B 63 -19.763 -5.188 -0.711 1.00 0.00 H new ATOM 0 HB VAL B 63 -19.951 -6.134 2.172 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -17.987 -7.552 1.648 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -19.403 -8.037 0.687 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -18.103 -7.081 -0.064 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -17.665 -5.161 2.282 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -17.790 -4.680 0.574 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -18.858 -3.937 1.788 1.00 0.00 H new ATOM 2029 N TYR B 64 -22.254 -6.939 0.514 1.00 0.00 N ATOM 2030 CA TYR B 64 -23.171 -8.055 0.193 1.00 0.00 C ATOM 2031 C TYR B 64 -23.856 -7.773 -1.142 1.00 0.00 C ATOM 2032 O TYR B 64 -23.997 -8.639 -1.980 1.00 0.00 O ATOM 2033 CB TYR B 64 -24.228 -8.170 1.297 1.00 0.00 C ATOM 2034 CG TYR B 64 -24.874 -9.536 1.250 1.00 0.00 C ATOM 2035 CD1 TYR B 64 -24.176 -10.662 1.727 1.00 0.00 C ATOM 2036 CD2 TYR B 64 -26.175 -9.685 0.729 1.00 0.00 C ATOM 2037 CE1 TYR B 64 -24.776 -11.935 1.684 1.00 0.00 C ATOM 2038 CE2 TYR B 64 -26.775 -10.958 0.686 1.00 0.00 C ATOM 2039 CZ TYR B 64 -26.076 -12.083 1.163 1.00 0.00 C ATOM 2040 OH TYR B 64 -26.664 -13.330 1.121 1.00 0.00 O ATOM 0 H TYR B 64 -22.489 -6.412 1.355 1.00 0.00 H new ATOM 0 HA TYR B 64 -22.611 -8.988 0.125 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -23.767 -8.009 2.272 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -24.985 -7.396 1.170 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -23.179 -10.549 2.126 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -26.712 -8.822 0.363 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -24.239 -12.798 2.050 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -27.772 -11.071 0.287 1.00 0.00 H new ATOM 0 HH TYR B 64 -27.561 -13.256 0.734 1.00 0.00 H new ATOM 2050 N ASP B 65 -24.282 -6.561 -1.335 1.00 0.00 N ATOM 2051 CA ASP B 65 -24.969 -6.196 -2.607 1.00 0.00 C ATOM 2052 C ASP B 65 -24.013 -6.388 -3.788 1.00 0.00 C ATOM 2053 O ASP B 65 -24.412 -6.784 -4.864 1.00 0.00 O ATOM 2054 CB ASP B 65 -25.411 -4.731 -2.535 1.00 0.00 C ATOM 2055 CG ASP B 65 -26.683 -4.616 -1.690 1.00 0.00 C ATOM 2056 OD1 ASP B 65 -26.973 -5.551 -0.962 1.00 0.00 O ATOM 2057 OD2 ASP B 65 -27.344 -3.596 -1.787 1.00 0.00 O ATOM 0 H ASP B 65 -24.185 -5.799 -0.664 1.00 0.00 H new ATOM 0 HA ASP B 65 -25.840 -6.837 -2.748 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -24.618 -4.123 -2.100 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -25.594 -4.347 -3.538 1.00 0.00 H new ATOM 2062 N LEU B 66 -22.756 -6.108 -3.594 1.00 0.00 N ATOM 2063 CA LEU B 66 -21.773 -6.271 -4.700 1.00 0.00 C ATOM 2064 C LEU B 66 -21.533 -7.761 -4.957 1.00 0.00 C ATOM 2065 O LEU B 66 -21.227 -8.170 -6.061 1.00 0.00 O ATOM 2066 CB LEU B 66 -20.459 -5.589 -4.297 1.00 0.00 C ATOM 2067 CG LEU B 66 -20.551 -4.066 -4.539 1.00 0.00 C ATOM 2068 CD1 LEU B 66 -19.518 -3.343 -3.673 1.00 0.00 C ATOM 2069 CD2 LEU B 66 -20.264 -3.740 -6.014 1.00 0.00 C ATOM 0 H LEU B 66 -22.365 -5.772 -2.714 1.00 0.00 H new ATOM 0 HA LEU B 66 -22.157 -5.814 -5.612 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -20.247 -5.785 -3.246 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -19.633 -6.007 -4.873 1.00 0.00 H new ATOM 0 HG LEU B 66 -21.558 -3.737 -4.281 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -19.586 -2.269 -3.846 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -19.713 -3.554 -2.622 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -18.518 -3.690 -3.933 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -20.333 -2.663 -6.169 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -19.262 -4.081 -6.274 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -20.994 -4.245 -6.647 1.00 0.00 H new ATOM 2081 N GLU B 67 -21.674 -8.572 -3.951 1.00 0.00 N ATOM 2082 CA GLU B 67 -21.461 -10.036 -4.137 1.00 0.00 C ATOM 2083 C GLU B 67 -22.628 -10.614 -4.936 1.00 0.00 C ATOM 2084 O GLU B 67 -22.481 -11.571 -5.670 1.00 0.00 O ATOM 2085 CB GLU B 67 -21.401 -10.718 -2.769 1.00 0.00 C ATOM 2086 CG GLU B 67 -20.132 -10.281 -2.032 1.00 0.00 C ATOM 2087 CD GLU B 67 -18.928 -11.065 -2.560 1.00 0.00 C ATOM 2088 OE1 GLU B 67 -19.009 -12.283 -2.600 1.00 0.00 O ATOM 2089 OE2 GLU B 67 -17.946 -10.435 -2.918 1.00 0.00 O ATOM 0 H GLU B 67 -21.928 -8.287 -3.005 1.00 0.00 H new ATOM 0 HA GLU B 67 -20.526 -10.206 -4.671 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -22.282 -10.457 -2.183 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -21.408 -11.801 -2.891 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -19.970 -9.212 -2.170 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -20.246 -10.450 -0.961 1.00 0.00 H new