USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 378 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 Single : A 189 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 195 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 202 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 203 SER OG : rot 180:sc= 0 USER MOD Single : A 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 SER OG : rot 15:sc= 0.564 USER MOD Single : B 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 ASN : amide:sc= -4.44! C(o=-4.4!,f=-5.3!) USER MOD Single : B 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 24 HIS : no HD1:sc= -0.476 X(o=-0.48,f=-0.32) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 THR OG1 : rot -55:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 188 7.992 -16.041 -8.567 1.00 0.00 N ATOM 2 CA ARG A 188 8.661 -15.647 -7.298 1.00 0.00 C ATOM 3 C ARG A 188 7.639 -15.253 -6.237 1.00 0.00 C ATOM 4 O ARG A 188 6.661 -14.564 -6.527 1.00 0.00 O ATOM 5 CB ARG A 188 9.604 -14.477 -7.588 1.00 0.00 C ATOM 6 CG ARG A 188 11.076 -14.854 -7.528 1.00 0.00 C ATOM 7 CD ARG A 188 11.918 -13.724 -6.958 1.00 0.00 C ATOM 8 NE ARG A 188 12.316 -12.764 -7.986 1.00 0.00 N ATOM 9 CZ ARG A 188 13.315 -12.965 -8.842 1.00 0.00 C ATOM 10 NH1 ARG A 188 14.020 -14.088 -8.797 1.00 0.00 N ATOM 11 NH2 ARG A 188 13.609 -12.041 -9.746 1.00 0.00 N ATOM 0 HA ARG A 188 9.225 -16.495 -6.910 1.00 0.00 H new ATOM 0 HB2 ARG A 188 9.380 -14.077 -8.577 1.00 0.00 H new ATOM 0 HB3 ARG A 188 9.412 -13.680 -6.870 1.00 0.00 H new ATOM 0 HG2 ARG A 188 11.199 -15.746 -6.914 1.00 0.00 H new ATOM 0 HG3 ARG A 188 11.430 -15.104 -8.528 1.00 0.00 H new ATOM 0 HD2 ARG A 188 11.354 -13.209 -6.180 1.00 0.00 H new ATOM 0 HD3 ARG A 188 12.808 -14.138 -6.485 1.00 0.00 H new ATOM 0 HE ARG A 188 11.797 -11.888 -8.051 1.00 0.00 H new ATOM 0 HH11 ARG A 188 13.797 -14.803 -8.104 1.00 0.00 H new ATOM 0 HH12 ARG A 188 14.785 -14.237 -9.455 1.00 0.00 H new ATOM 0 HH21 ARG A 188 13.070 -11.176 -9.785 1.00 0.00 H new ATOM 0 HH22 ARG A 188 14.375 -12.195 -10.402 1.00 0.00 H new ATOM 27 N ASN A 189 7.873 -15.694 -5.004 1.00 0.00 N ATOM 28 CA ASN A 189 6.973 -15.386 -3.898 1.00 0.00 C ATOM 29 C ASN A 189 7.287 -14.015 -3.308 1.00 0.00 C ATOM 30 O ASN A 189 8.256 -13.854 -2.566 1.00 0.00 O ATOM 31 CB ASN A 189 7.080 -16.460 -2.814 1.00 0.00 C ATOM 32 CG ASN A 189 5.731 -16.822 -2.225 1.00 0.00 C ATOM 33 OD1 ASN A 189 5.115 -17.813 -2.618 1.00 0.00 O ATOM 34 ND2 ASN A 189 5.263 -16.018 -1.277 1.00 0.00 N ATOM 0 H ASN A 189 8.678 -16.265 -4.746 1.00 0.00 H new ATOM 0 HA ASN A 189 5.953 -15.370 -4.283 1.00 0.00 H new ATOM 0 HB2 ASN A 189 7.541 -17.353 -3.235 1.00 0.00 H new ATOM 0 HB3 ASN A 189 7.737 -16.107 -2.020 1.00 0.00 H new ATOM 0 HD21 ASN A 189 4.360 -16.211 -0.844 1.00 0.00 H new ATOM 0 HD22 ASN A 189 5.807 -15.207 -0.981 1.00 0.00 H new ATOM 41 N ARG A 190 6.462 -13.028 -3.644 1.00 0.00 N ATOM 42 CA ARG A 190 6.654 -11.670 -3.148 1.00 0.00 C ATOM 43 C ARG A 190 6.065 -11.513 -1.750 1.00 0.00 C ATOM 44 O ARG A 190 5.294 -12.354 -1.290 1.00 0.00 O ATOM 45 CB ARG A 190 6.016 -10.660 -4.106 1.00 0.00 C ATOM 46 CG ARG A 190 7.018 -9.710 -4.743 1.00 0.00 C ATOM 47 CD ARG A 190 7.788 -8.925 -3.692 1.00 0.00 C ATOM 48 NE ARG A 190 8.593 -7.859 -4.285 1.00 0.00 N ATOM 49 CZ ARG A 190 9.604 -7.259 -3.662 1.00 0.00 C ATOM 50 NH1 ARG A 190 9.936 -7.616 -2.426 1.00 0.00 N ATOM 51 NH2 ARG A 190 10.284 -6.299 -4.272 1.00 0.00 N ATOM 0 H ARG A 190 5.655 -13.143 -4.257 1.00 0.00 H new ATOM 0 HA ARG A 190 7.725 -11.477 -3.092 1.00 0.00 H new ATOM 0 HB2 ARG A 190 5.489 -11.200 -4.893 1.00 0.00 H new ATOM 0 HB3 ARG A 190 5.270 -10.079 -3.564 1.00 0.00 H new ATOM 0 HG2 ARG A 190 7.716 -10.276 -5.360 1.00 0.00 H new ATOM 0 HG3 ARG A 190 6.496 -9.019 -5.405 1.00 0.00 H new ATOM 0 HD2 ARG A 190 7.088 -8.495 -2.976 1.00 0.00 H new ATOM 0 HD3 ARG A 190 8.436 -9.603 -3.136 1.00 0.00 H new ATOM 0 HE ARG A 190 8.366 -7.557 -5.233 1.00 0.00 H new ATOM 0 HH11 ARG A 190 9.415 -8.353 -1.951 1.00 0.00 H new ATOM 0 HH12 ARG A 190 10.712 -7.153 -1.952 1.00 0.00 H new ATOM 0 HH21 ARG A 190 10.033 -6.019 -5.220 1.00 0.00 H new ATOM 0 HH22 ARG A 190 11.059 -5.840 -3.793 1.00 0.00 H new ATOM 65 N ARG A 191 6.441 -10.429 -1.079 1.00 0.00 N ATOM 66 CA ARG A 191 5.959 -10.153 0.267 1.00 0.00 C ATOM 67 C ARG A 191 4.435 -10.098 0.315 1.00 0.00 C ATOM 68 O ARG A 191 3.801 -9.458 -0.526 1.00 0.00 O ATOM 69 CB ARG A 191 6.543 -8.849 0.771 1.00 0.00 C ATOM 70 CG ARG A 191 7.793 -9.027 1.616 1.00 0.00 C ATOM 71 CD ARG A 191 7.854 -8.012 2.745 1.00 0.00 C ATOM 72 NE ARG A 191 8.442 -8.577 3.956 1.00 0.00 N ATOM 73 CZ ARG A 191 9.740 -8.834 4.100 1.00 0.00 C ATOM 74 NH1 ARG A 191 10.589 -8.572 3.113 1.00 0.00 N ATOM 75 NH2 ARG A 191 10.192 -9.355 5.232 1.00 0.00 N ATOM 0 H ARG A 191 7.081 -9.726 -1.448 1.00 0.00 H new ATOM 0 HA ARG A 191 6.285 -10.968 0.913 1.00 0.00 H new ATOM 0 HB2 ARG A 191 6.779 -8.213 -0.082 1.00 0.00 H new ATOM 0 HB3 ARG A 191 5.789 -8.326 1.359 1.00 0.00 H new ATOM 0 HG2 ARG A 191 7.812 -10.035 2.031 1.00 0.00 H new ATOM 0 HG3 ARG A 191 8.676 -8.925 0.986 1.00 0.00 H new ATOM 0 HD2 ARG A 191 8.439 -7.149 2.426 1.00 0.00 H new ATOM 0 HD3 ARG A 191 6.849 -7.652 2.964 1.00 0.00 H new ATOM 0 HE ARG A 191 7.822 -8.787 4.738 1.00 0.00 H new ATOM 0 HH11 ARG A 191 10.247 -8.172 2.239 1.00 0.00 H new ATOM 0 HH12 ARG A 191 11.583 -8.771 3.229 1.00 0.00 H new ATOM 0 HH21 ARG A 191 9.545 -9.559 5.994 1.00 0.00 H new ATOM 0 HH22 ARG A 191 11.187 -9.552 5.341 1.00 0.00 H new ATOM 89 N ARG A 192 3.853 -10.769 1.303 1.00 0.00 N ATOM 90 CA ARG A 192 2.404 -10.792 1.461 1.00 0.00 C ATOM 91 C ARG A 192 1.858 -9.384 1.675 1.00 0.00 C ATOM 92 O ARG A 192 1.780 -8.903 2.806 1.00 0.00 O ATOM 93 CB ARG A 192 2.010 -11.685 2.632 1.00 0.00 C ATOM 94 CG ARG A 192 0.652 -12.347 2.465 1.00 0.00 C ATOM 95 CD ARG A 192 -0.064 -12.490 3.798 1.00 0.00 C ATOM 96 NE ARG A 192 0.206 -13.780 4.428 1.00 0.00 N ATOM 97 CZ ARG A 192 -0.395 -14.915 4.082 1.00 0.00 C ATOM 98 NH1 ARG A 192 -1.301 -14.926 3.112 1.00 0.00 N ATOM 99 NH2 ARG A 192 -0.089 -16.044 4.707 1.00 0.00 N ATOM 0 H ARG A 192 4.363 -11.304 2.006 1.00 0.00 H new ATOM 0 HA ARG A 192 1.972 -11.196 0.545 1.00 0.00 H new ATOM 0 HB2 ARG A 192 2.768 -12.458 2.759 1.00 0.00 H new ATOM 0 HB3 ARG A 192 2.005 -11.090 3.545 1.00 0.00 H new ATOM 0 HG2 ARG A 192 0.040 -11.757 1.783 1.00 0.00 H new ATOM 0 HG3 ARG A 192 0.778 -13.330 2.011 1.00 0.00 H new ATOM 0 HD2 ARG A 192 0.249 -11.688 4.466 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -1.138 -12.378 3.647 1.00 0.00 H new ATOM 0 HE ARG A 192 0.897 -13.812 5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -1.540 -14.061 2.627 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -1.758 -15.800 2.851 1.00 0.00 H new ATOM 0 HH21 ARG A 192 0.607 -16.042 5.453 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -0.550 -16.915 4.442 1.00 0.00 H new ATOM 113 N VAL A 193 1.486 -8.727 0.582 1.00 0.00 N ATOM 114 CA VAL A 193 0.950 -7.374 0.650 1.00 0.00 C ATOM 115 C VAL A 193 -0.421 -7.288 -0.018 1.00 0.00 C ATOM 116 O VAL A 193 -1.007 -8.301 -0.401 1.00 0.00 O ATOM 117 CB VAL A 193 1.904 -6.358 -0.013 1.00 0.00 C ATOM 118 CG1 VAL A 193 3.244 -6.338 0.705 1.00 0.00 C ATOM 119 CG2 VAL A 193 2.090 -6.679 -1.489 1.00 0.00 C ATOM 0 H VAL A 193 1.546 -9.110 -0.361 1.00 0.00 H new ATOM 0 HA VAL A 193 0.848 -7.126 1.707 1.00 0.00 H new ATOM 0 HB VAL A 193 1.458 -5.367 0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 193 3.904 -5.616 0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 193 3.094 -6.055 1.747 1.00 0.00 H new ATOM 0 HG13 VAL A 193 3.696 -7.329 0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 193 2.766 -5.951 -1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 193 2.512 -7.678 -1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 193 1.125 -6.638 -1.995 1.00 0.00 H new ATOM 129 N CYS A 194 -0.936 -6.067 -0.119 1.00 0.00 N ATOM 130 CA CYS A 194 -2.250 -5.817 -0.698 1.00 0.00 C ATOM 131 C CYS A 194 -2.432 -6.470 -2.063 1.00 0.00 C ATOM 132 O CYS A 194 -1.637 -6.268 -2.980 1.00 0.00 O ATOM 133 CB CYS A 194 -2.486 -4.313 -0.811 1.00 0.00 C ATOM 134 SG CYS A 194 -3.997 -3.857 -1.720 1.00 0.00 S ATOM 0 H CYS A 194 -0.455 -5.225 0.198 1.00 0.00 H new ATOM 0 HA CYS A 194 -2.983 -6.267 -0.029 1.00 0.00 H new ATOM 0 HB2 CYS A 194 -2.537 -3.889 0.192 1.00 0.00 H new ATOM 0 HB3 CYS A 194 -1.628 -3.859 -1.306 1.00 0.00 H new ATOM 139 N LYS A 195 -3.531 -7.207 -2.193 1.00 0.00 N ATOM 140 CA LYS A 195 -3.893 -7.843 -3.439 1.00 0.00 C ATOM 141 C LYS A 195 -5.359 -7.551 -3.712 1.00 0.00 C ATOM 142 O LYS A 195 -6.212 -8.437 -3.650 1.00 0.00 O ATOM 143 CB LYS A 195 -3.651 -9.346 -3.381 1.00 0.00 C ATOM 144 CG LYS A 195 -2.514 -9.758 -2.458 1.00 0.00 C ATOM 145 CD LYS A 195 -2.398 -11.270 -2.356 1.00 0.00 C ATOM 146 CE LYS A 195 -3.029 -11.794 -1.075 1.00 0.00 C ATOM 147 NZ LYS A 195 -2.217 -12.879 -0.459 1.00 0.00 N ATOM 0 H LYS A 195 -4.190 -7.375 -1.433 1.00 0.00 H new ATOM 0 HA LYS A 195 -3.273 -7.448 -4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 195 -4.567 -9.838 -3.053 1.00 0.00 H new ATOM 0 HB3 LYS A 195 -3.437 -9.708 -4.387 1.00 0.00 H new ATOM 0 HG2 LYS A 195 -1.576 -9.344 -2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 195 -2.679 -9.337 -1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 195 -2.882 -11.732 -3.216 1.00 0.00 H new ATOM 0 HD3 LYS A 195 -1.347 -11.558 -2.389 1.00 0.00 H new ATOM 0 HE2 LYS A 195 -3.140 -10.975 -0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 195 -4.030 -12.167 -1.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 195 -2.681 -13.209 0.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 195 -2.132 -13.671 -1.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 195 -1.270 -12.516 -0.230 1.00 0.00 H new ATOM 161 N CYS A 196 -5.634 -6.295 -4.007 1.00 0.00 N ATOM 162 CA CYS A 196 -6.994 -5.843 -4.287 1.00 0.00 C ATOM 163 C CYS A 196 -7.161 -5.491 -5.765 1.00 0.00 C ATOM 164 O CYS A 196 -6.342 -4.766 -6.331 1.00 0.00 O ATOM 165 CB CYS A 196 -7.345 -4.620 -3.431 1.00 0.00 C ATOM 166 SG CYS A 196 -7.556 -4.968 -1.651 1.00 0.00 S ATOM 0 H CYS A 196 -4.930 -5.559 -4.061 1.00 0.00 H new ATOM 0 HA CYS A 196 -7.670 -6.662 -4.040 1.00 0.00 H new ATOM 0 HB2 CYS A 196 -6.560 -3.873 -3.550 1.00 0.00 H new ATOM 0 HB3 CYS A 196 -8.266 -4.179 -3.813 1.00 0.00 H new ATOM 171 N PRO A 197 -8.234 -5.984 -6.409 1.00 0.00 N ATOM 172 CA PRO A 197 -8.500 -5.695 -7.821 1.00 0.00 C ATOM 173 C PRO A 197 -8.891 -4.237 -8.026 1.00 0.00 C ATOM 174 O PRO A 197 -10.068 -3.883 -7.950 1.00 0.00 O ATOM 175 CB PRO A 197 -9.671 -6.620 -8.162 1.00 0.00 C ATOM 176 CG PRO A 197 -10.356 -6.856 -6.860 1.00 0.00 C ATOM 177 CD PRO A 197 -9.275 -6.842 -5.815 1.00 0.00 C ATOM 0 HA PRO A 197 -7.626 -5.857 -8.452 1.00 0.00 H new ATOM 0 HB2 PRO A 197 -10.343 -6.158 -8.885 1.00 0.00 H new ATOM 0 HB3 PRO A 197 -9.323 -7.555 -8.602 1.00 0.00 H new ATOM 0 HG2 PRO A 197 -11.098 -6.082 -6.664 1.00 0.00 H new ATOM 0 HG3 PRO A 197 -10.883 -7.810 -6.864 1.00 0.00 H new ATOM 0 HD2 PRO A 197 -9.636 -6.438 -4.869 1.00 0.00 H new ATOM 0 HD3 PRO A 197 -8.900 -7.845 -5.611 1.00 0.00 H new ATOM 185 N ARG A 198 -7.895 -3.390 -8.269 1.00 0.00 N ATOM 186 CA ARG A 198 -8.130 -1.964 -8.465 1.00 0.00 C ATOM 187 C ARG A 198 -8.467 -1.292 -7.136 1.00 0.00 C ATOM 188 O ARG A 198 -9.637 -1.116 -6.795 1.00 0.00 O ATOM 189 CB ARG A 198 -9.248 -1.733 -9.473 1.00 0.00 C ATOM 190 CG ARG A 198 -8.861 -0.801 -10.610 1.00 0.00 C ATOM 191 CD ARG A 198 -9.809 0.385 -10.709 1.00 0.00 C ATOM 192 NE ARG A 198 -10.044 1.006 -9.406 1.00 0.00 N ATOM 193 CZ ARG A 198 -11.087 1.789 -9.136 1.00 0.00 C ATOM 194 NH1 ARG A 198 -11.989 2.053 -10.073 1.00 0.00 N ATOM 195 NH2 ARG A 198 -11.226 2.310 -7.924 1.00 0.00 N ATOM 0 H ARG A 198 -6.916 -3.668 -8.335 1.00 0.00 H new ATOM 0 HA ARG A 198 -7.216 -1.520 -8.860 1.00 0.00 H new ATOM 0 HB2 ARG A 198 -9.554 -2.693 -9.889 1.00 0.00 H new ATOM 0 HB3 ARG A 198 -10.113 -1.320 -8.955 1.00 0.00 H new ATOM 0 HG2 ARG A 198 -7.843 -0.442 -10.457 1.00 0.00 H new ATOM 0 HG3 ARG A 198 -8.867 -1.352 -11.551 1.00 0.00 H new ATOM 0 HD2 ARG A 198 -9.395 1.125 -11.394 1.00 0.00 H new ATOM 0 HD3 ARG A 198 -10.759 0.056 -11.131 1.00 0.00 H new ATOM 0 HE ARG A 198 -9.370 0.829 -8.661 1.00 0.00 H new ATOM 0 HH11 ARG A 198 -11.886 1.655 -11.007 1.00 0.00 H new ATOM 0 HH12 ARG A 198 -12.785 2.653 -9.859 1.00 0.00 H new ATOM 0 HH21 ARG A 198 -10.535 2.111 -7.201 1.00 0.00 H new ATOM 0 HH22 ARG A 198 -12.024 2.910 -7.715 1.00 0.00 H new ATOM 209 N PRO A 199 -7.436 -0.913 -6.359 1.00 0.00 N ATOM 210 CA PRO A 199 -7.621 -0.265 -5.057 1.00 0.00 C ATOM 211 C PRO A 199 -8.641 0.869 -5.108 1.00 0.00 C ATOM 212 O PRO A 199 -8.890 1.447 -6.166 1.00 0.00 O ATOM 213 CB PRO A 199 -6.229 0.279 -4.740 1.00 0.00 C ATOM 214 CG PRO A 199 -5.297 -0.649 -5.439 1.00 0.00 C ATOM 215 CD PRO A 199 -6.008 -1.092 -6.690 1.00 0.00 C ATOM 0 HA PRO A 199 -8.008 -0.955 -4.307 1.00 0.00 H new ATOM 0 HB2 PRO A 199 -6.112 1.302 -5.097 1.00 0.00 H new ATOM 0 HB3 PRO A 199 -6.044 0.293 -3.666 1.00 0.00 H new ATOM 0 HG2 PRO A 199 -4.358 -0.150 -5.680 1.00 0.00 H new ATOM 0 HG3 PRO A 199 -5.051 -1.503 -4.808 1.00 0.00 H new ATOM 0 HD2 PRO A 199 -5.717 -0.490 -7.551 1.00 0.00 H new ATOM 0 HD3 PRO A 199 -5.780 -2.129 -6.935 1.00 0.00 H new ATOM 223 N VAL A 200 -9.230 1.181 -3.958 1.00 0.00 N ATOM 224 CA VAL A 200 -10.223 2.245 -3.871 1.00 0.00 C ATOM 225 C VAL A 200 -9.562 3.620 -3.900 1.00 0.00 C ATOM 226 O VAL A 200 -8.555 3.850 -3.230 1.00 0.00 O ATOM 227 CB VAL A 200 -11.073 2.118 -2.591 1.00 0.00 C ATOM 228 CG1 VAL A 200 -10.204 2.268 -1.351 1.00 0.00 C ATOM 229 CG2 VAL A 200 -12.197 3.143 -2.591 1.00 0.00 C ATOM 0 H VAL A 200 -9.037 0.712 -3.073 1.00 0.00 H new ATOM 0 HA VAL A 200 -10.874 2.142 -4.740 1.00 0.00 H new ATOM 0 HB VAL A 200 -11.519 1.124 -2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 200 -10.824 2.175 -0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 200 -9.441 1.490 -1.345 1.00 0.00 H new ATOM 0 HG13 VAL A 200 -9.724 3.247 -1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 200 -12.786 3.037 -1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 200 -11.774 4.147 -2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 200 -12.838 2.980 -3.458 1.00 0.00 H new ATOM 239 N VAL A 201 -10.134 4.530 -4.680 1.00 0.00 N ATOM 240 CA VAL A 201 -9.601 5.881 -4.797 1.00 0.00 C ATOM 241 C VAL A 201 -10.669 6.923 -4.482 1.00 0.00 C ATOM 242 O VAL A 201 -11.838 6.753 -4.830 1.00 0.00 O ATOM 243 CB VAL A 201 -9.047 6.143 -6.210 1.00 0.00 C ATOM 244 CG1 VAL A 201 -8.341 7.489 -6.268 1.00 0.00 C ATOM 245 CG2 VAL A 201 -8.109 5.022 -6.632 1.00 0.00 C ATOM 0 H VAL A 201 -10.968 4.356 -5.241 1.00 0.00 H new ATOM 0 HA VAL A 201 -8.790 5.966 -4.073 1.00 0.00 H new ATOM 0 HB VAL A 201 -9.884 6.169 -6.908 1.00 0.00 H new ATOM 0 HG11 VAL A 201 -7.957 7.655 -7.274 1.00 0.00 H new ATOM 0 HG12 VAL A 201 -9.046 8.281 -6.013 1.00 0.00 H new ATOM 0 HG13 VAL A 201 -7.514 7.497 -5.558 1.00 0.00 H new ATOM 0 HG21 VAL A 201 -7.727 5.224 -7.633 1.00 0.00 H new ATOM 0 HG22 VAL A 201 -7.276 4.961 -5.931 1.00 0.00 H new ATOM 0 HG23 VAL A 201 -8.651 4.076 -6.635 1.00 0.00 H new ATOM 255 N LYS A 202 -10.261 8.003 -3.823 1.00 0.00 N ATOM 256 CA LYS A 202 -11.184 9.072 -3.463 1.00 0.00 C ATOM 257 C LYS A 202 -10.478 10.424 -3.470 1.00 0.00 C ATOM 258 O LYS A 202 -9.602 10.682 -2.644 1.00 0.00 O ATOM 259 CB LYS A 202 -11.793 8.810 -2.084 1.00 0.00 C ATOM 260 CG LYS A 202 -12.854 9.823 -1.685 1.00 0.00 C ATOM 261 CD LYS A 202 -13.120 9.793 -0.188 1.00 0.00 C ATOM 262 CE LYS A 202 -14.600 9.958 0.119 1.00 0.00 C ATOM 263 NZ LYS A 202 -14.973 9.326 1.414 1.00 0.00 N ATOM 0 H LYS A 202 -9.297 8.160 -3.528 1.00 0.00 H new ATOM 0 HA LYS A 202 -11.982 9.093 -4.205 1.00 0.00 H new ATOM 0 HB2 LYS A 202 -12.233 7.813 -2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 202 -10.998 8.816 -1.338 1.00 0.00 H new ATOM 0 HG2 LYS A 202 -12.533 10.822 -1.978 1.00 0.00 H new ATOM 0 HG3 LYS A 202 -13.778 9.614 -2.224 1.00 0.00 H new ATOM 0 HD2 LYS A 202 -12.764 8.850 0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 202 -12.556 10.588 0.299 1.00 0.00 H new ATOM 0 HE2 LYS A 202 -14.848 11.019 0.148 1.00 0.00 H new ATOM 0 HE3 LYS A 202 -15.189 9.515 -0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 202 -15.990 9.461 1.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 202 -14.760 8.309 1.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 202 -14.430 9.766 2.184 1.00 0.00 H new ATOM 277 N SER A 203 -10.867 11.284 -4.405 1.00 0.00 N ATOM 278 CA SER A 203 -10.271 12.610 -4.519 1.00 0.00 C ATOM 279 C SER A 203 -10.798 13.536 -3.427 1.00 0.00 C ATOM 280 O SER A 203 -11.867 13.301 -2.863 1.00 0.00 O ATOM 281 CB SER A 203 -10.563 13.209 -5.897 1.00 0.00 C ATOM 282 OG SER A 203 -10.273 12.281 -6.928 1.00 0.00 O ATOM 0 H SER A 203 -11.592 11.087 -5.095 1.00 0.00 H new ATOM 0 HA SER A 203 -9.193 12.508 -4.398 1.00 0.00 H new ATOM 0 HB2 SER A 203 -11.611 13.505 -5.954 1.00 0.00 H new ATOM 0 HB3 SER A 203 -9.969 14.112 -6.038 1.00 0.00 H new ATOM 0 HG SER A 203 -10.469 12.687 -7.798 1.00 0.00 H new ATOM 288 N GLY A 204 -10.043 14.589 -3.134 1.00 0.00 N ATOM 289 CA GLY A 204 -10.451 15.532 -2.110 1.00 0.00 C ATOM 290 C GLY A 204 -11.233 16.701 -2.676 1.00 0.00 C ATOM 291 O GLY A 204 -10.894 17.860 -2.431 1.00 0.00 O ATOM 0 H GLY A 204 -9.156 14.806 -3.588 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -11.061 15.016 -1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -9.568 15.906 -1.593 1.00 0.00 H new ATOM 295 N ASP A 205 -12.281 16.399 -3.433 1.00 0.00 N ATOM 296 CA ASP A 205 -13.113 17.435 -4.034 1.00 0.00 C ATOM 297 C ASP A 205 -14.561 16.970 -4.155 1.00 0.00 C ATOM 298 O ASP A 205 -15.262 17.328 -5.102 1.00 0.00 O ATOM 299 CB ASP A 205 -12.572 17.819 -5.412 1.00 0.00 C ATOM 300 CG ASP A 205 -12.712 19.301 -5.696 1.00 0.00 C ATOM 301 OD1 ASP A 205 -12.772 20.088 -4.728 1.00 0.00 O ATOM 302 OD2 ASP A 205 -12.765 19.676 -6.887 1.00 0.00 O ATOM 0 H ASP A 205 -12.575 15.446 -3.645 1.00 0.00 H new ATOM 0 HA ASP A 205 -13.085 18.309 -3.384 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -11.521 17.537 -5.478 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -13.103 17.253 -6.178 1.00 0.00 H new ATOM 307 N LYS A 206 -15.005 16.173 -3.189 1.00 0.00 N ATOM 308 CA LYS A 206 -16.371 15.661 -3.188 1.00 0.00 C ATOM 309 C LYS A 206 -16.775 15.194 -1.793 1.00 0.00 C ATOM 310 O LYS A 206 -17.889 15.548 -1.352 1.00 0.00 O ATOM 311 CB LYS A 206 -16.508 14.509 -4.184 1.00 0.00 C ATOM 312 CG LYS A 206 -17.931 14.297 -4.677 1.00 0.00 C ATOM 313 CD LYS A 206 -18.077 12.973 -5.412 1.00 0.00 C ATOM 314 CE LYS A 206 -18.293 13.180 -6.903 1.00 0.00 C ATOM 315 NZ LYS A 206 -19.706 12.924 -7.301 1.00 0.00 N ATOM 316 OXT LYS A 206 -15.975 14.478 -1.154 1.00 0.00 O ATOM 0 H LYS A 206 -14.439 15.868 -2.397 1.00 0.00 H new ATOM 0 HA LYS A 206 -17.036 16.471 -3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 206 -15.861 14.701 -5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 206 -16.154 13.591 -3.716 1.00 0.00 H new ATOM 0 HG2 LYS A 206 -18.617 14.322 -3.831 1.00 0.00 H new ATOM 0 HG3 LYS A 206 -18.213 15.115 -5.340 1.00 0.00 H new ATOM 0 HD2 LYS A 206 -17.184 12.368 -5.254 1.00 0.00 H new ATOM 0 HD3 LYS A 206 -18.917 12.416 -4.996 1.00 0.00 H new ATOM 0 HE2 LYS A 206 -18.020 14.201 -7.171 1.00 0.00 H new ATOM 0 HE3 LYS A 206 -17.633 12.516 -7.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 206 -19.811 13.076 -8.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 206 -19.960 11.943 -7.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 206 -20.335 13.575 -6.788 1.00 0.00 H new TER 330 LYS A 206 ATOM 331 N SER B 7 14.759 -3.013 -8.562 1.00 0.00 N ATOM 332 CA SER B 7 15.398 -4.156 -7.857 1.00 0.00 C ATOM 333 C SER B 7 16.006 -3.714 -6.531 1.00 0.00 C ATOM 334 O SER B 7 17.072 -4.186 -6.138 1.00 0.00 O ATOM 335 CB SER B 7 16.479 -4.745 -8.765 1.00 0.00 C ATOM 336 OG SER B 7 16.119 -4.630 -10.130 1.00 0.00 O ATOM 0 HA SER B 7 14.642 -4.909 -7.636 1.00 0.00 H new ATOM 0 HB2 SER B 7 17.424 -4.231 -8.591 1.00 0.00 H new ATOM 0 HB3 SER B 7 16.636 -5.794 -8.515 1.00 0.00 H new ATOM 0 HG SER B 7 15.382 -3.990 -10.221 1.00 0.00 H new ATOM 344 N HIS B 8 15.320 -2.807 -5.843 1.00 0.00 N ATOM 345 CA HIS B 8 15.792 -2.302 -4.560 1.00 0.00 C ATOM 346 C HIS B 8 14.837 -2.693 -3.436 1.00 0.00 C ATOM 347 O HIS B 8 13.651 -2.924 -3.670 1.00 0.00 O ATOM 348 CB HIS B 8 15.941 -0.781 -4.611 1.00 0.00 C ATOM 349 CG HIS B 8 17.089 -0.320 -5.453 1.00 0.00 C ATOM 350 ND1 HIS B 8 16.927 0.270 -6.690 1.00 0.00 N ATOM 351 CD2 HIS B 8 18.425 -0.362 -5.231 1.00 0.00 C ATOM 352 CE1 HIS B 8 18.112 0.568 -7.192 1.00 0.00 C ATOM 353 NE2 HIS B 8 19.037 0.196 -6.326 1.00 0.00 N ATOM 0 H HIS B 8 14.435 -2.407 -6.153 1.00 0.00 H new ATOM 0 HA HIS B 8 16.765 -2.749 -4.358 1.00 0.00 H new ATOM 0 HB2 HIS B 8 15.019 -0.347 -4.999 1.00 0.00 H new ATOM 0 HB3 HIS B 8 16.070 -0.403 -3.597 1.00 0.00 H new ATOM 0 HD2 HIS B 8 18.917 -0.760 -4.356 1.00 0.00 H new ATOM 0 HE1 HIS B 8 18.293 1.036 -8.148 1.00 0.00 H new ATOM 0 HE2 HIS B 8 20.043 0.306 -6.451 1.00 0.00 H new ATOM 362 N PRO B 9 15.344 -2.773 -2.193 1.00 0.00 N ATOM 363 CA PRO B 9 14.528 -3.139 -1.031 1.00 0.00 C ATOM 364 C PRO B 9 13.529 -2.048 -0.660 1.00 0.00 C ATOM 365 O PRO B 9 13.897 -0.885 -0.503 1.00 0.00 O ATOM 366 CB PRO B 9 15.559 -3.321 0.084 1.00 0.00 C ATOM 367 CG PRO B 9 16.711 -2.470 -0.322 1.00 0.00 C ATOM 368 CD PRO B 9 16.748 -2.513 -1.825 1.00 0.00 C ATOM 0 HA PRO B 9 13.924 -4.027 -1.220 1.00 0.00 H new ATOM 0 HB2 PRO B 9 15.158 -3.010 1.049 1.00 0.00 H new ATOM 0 HB3 PRO B 9 15.854 -4.366 0.183 1.00 0.00 H new ATOM 0 HG2 PRO B 9 16.587 -1.448 0.036 1.00 0.00 H new ATOM 0 HG3 PRO B 9 17.642 -2.845 0.102 1.00 0.00 H new ATOM 0 HD2 PRO B 9 17.106 -1.573 -2.245 1.00 0.00 H new ATOM 0 HD3 PRO B 9 17.411 -3.298 -2.189 1.00 0.00 H new ATOM 376 N GLU B 10 12.264 -2.433 -0.523 1.00 0.00 N ATOM 377 CA GLU B 10 11.210 -1.487 -0.171 1.00 0.00 C ATOM 378 C GLU B 10 11.028 -1.401 1.343 1.00 0.00 C ATOM 379 O GLU B 10 9.905 -1.313 1.838 1.00 0.00 O ATOM 380 CB GLU B 10 9.891 -1.894 -0.831 1.00 0.00 C ATOM 381 CG GLU B 10 10.028 -2.230 -2.307 1.00 0.00 C ATOM 382 CD GLU B 10 8.698 -2.209 -3.035 1.00 0.00 C ATOM 383 OE1 GLU B 10 7.824 -1.404 -2.652 1.00 0.00 O ATOM 384 OE2 GLU B 10 8.531 -2.999 -3.989 1.00 0.00 O ATOM 0 H GLU B 10 11.944 -3.393 -0.650 1.00 0.00 H new ATOM 0 HA GLU B 10 11.507 -0.504 -0.536 1.00 0.00 H new ATOM 0 HB2 GLU B 10 9.483 -2.758 -0.306 1.00 0.00 H new ATOM 0 HB3 GLU B 10 9.172 -1.083 -0.717 1.00 0.00 H new ATOM 0 HG2 GLU B 10 10.706 -1.518 -2.777 1.00 0.00 H new ATOM 0 HG3 GLU B 10 10.480 -3.217 -2.411 1.00 0.00 H new ATOM 391 N ASP B 11 12.138 -1.425 2.075 1.00 0.00 N ATOM 392 CA ASP B 11 12.093 -1.349 3.531 1.00 0.00 C ATOM 393 C ASP B 11 12.047 0.103 3.996 1.00 0.00 C ATOM 394 O ASP B 11 13.048 0.648 4.463 1.00 0.00 O ATOM 395 CB ASP B 11 13.307 -2.056 4.137 1.00 0.00 C ATOM 396 CG ASP B 11 12.989 -3.469 4.585 1.00 0.00 C ATOM 397 OD1 ASP B 11 12.248 -3.625 5.578 1.00 0.00 O ATOM 398 OD2 ASP B 11 13.480 -4.421 3.942 1.00 0.00 O ATOM 0 H ASP B 11 13.078 -1.496 1.684 1.00 0.00 H new ATOM 0 HA ASP B 11 11.186 -1.849 3.871 1.00 0.00 H new ATOM 0 HB2 ASP B 11 14.112 -2.083 3.403 1.00 0.00 H new ATOM 0 HB3 ASP B 11 13.671 -1.481 4.988 1.00 0.00 H new ATOM 403 N ASP B 12 10.879 0.724 3.867 1.00 0.00 N ATOM 404 CA ASP B 12 10.703 2.111 4.276 1.00 0.00 C ATOM 405 C ASP B 12 9.224 2.487 4.299 1.00 0.00 C ATOM 406 O ASP B 12 8.794 3.420 3.619 1.00 0.00 O ATOM 407 CB ASP B 12 11.478 3.042 3.335 1.00 0.00 C ATOM 408 CG ASP B 12 12.429 3.956 4.083 1.00 0.00 C ATOM 409 OD1 ASP B 12 11.963 4.705 4.967 1.00 0.00 O ATOM 410 OD2 ASP B 12 13.642 3.922 3.784 1.00 0.00 O ATOM 0 H ASP B 12 10.041 0.288 3.482 1.00 0.00 H new ATOM 0 HA ASP B 12 11.097 2.225 5.286 1.00 0.00 H new ATOM 0 HB2 ASP B 12 12.041 2.444 2.618 1.00 0.00 H new ATOM 0 HB3 ASP B 12 10.773 3.645 2.763 1.00 0.00 H new ATOM 415 N TRP B 13 8.448 1.753 5.091 1.00 0.00 N ATOM 416 CA TRP B 13 7.017 2.003 5.211 1.00 0.00 C ATOM 417 C TRP B 13 6.371 1.050 6.224 1.00 0.00 C ATOM 418 O TRP B 13 5.254 0.571 6.033 1.00 0.00 O ATOM 419 CB TRP B 13 6.346 1.935 3.834 1.00 0.00 C ATOM 420 CG TRP B 13 5.646 0.655 3.554 1.00 0.00 C ATOM 421 CD1 TRP B 13 4.397 0.514 3.057 1.00 0.00 C ATOM 422 CD2 TRP B 13 6.152 -0.652 3.774 1.00 0.00 C ATOM 423 NE1 TRP B 13 4.090 -0.820 2.927 1.00 0.00 N ATOM 424 CE2 TRP B 13 5.161 -1.559 3.367 1.00 0.00 C ATOM 425 CE3 TRP B 13 7.354 -1.134 4.271 1.00 0.00 C ATOM 426 CZ2 TRP B 13 5.343 -2.938 3.443 1.00 0.00 C ATOM 427 CZ3 TRP B 13 7.541 -2.500 4.351 1.00 0.00 C ATOM 428 CH2 TRP B 13 6.539 -3.391 3.937 1.00 0.00 C ATOM 0 H TRP B 13 8.788 0.978 5.660 1.00 0.00 H new ATOM 0 HA TRP B 13 6.869 3.012 5.596 1.00 0.00 H new ATOM 0 HB2 TRP B 13 5.629 2.752 3.752 1.00 0.00 H new ATOM 0 HB3 TRP B 13 7.103 2.096 3.066 1.00 0.00 H new ATOM 0 HD1 TRP B 13 3.737 1.329 2.800 1.00 0.00 H new ATOM 0 HE1 TRP B 13 3.214 -1.197 2.565 1.00 0.00 H new ATOM 0 HE3 TRP B 13 8.130 -0.453 4.590 1.00 0.00 H new ATOM 0 HZ2 TRP B 13 4.572 -3.624 3.125 1.00 0.00 H new ATOM 0 HZ3 TRP B 13 8.472 -2.888 4.738 1.00 0.00 H new ATOM 0 HH2 TRP B 13 6.713 -4.454 4.009 1.00 0.00 H new ATOM 439 N LEU B 14 7.082 0.808 7.322 1.00 0.00 N ATOM 440 CA LEU B 14 6.593 -0.057 8.383 1.00 0.00 C ATOM 441 C LEU B 14 6.423 0.736 9.673 1.00 0.00 C ATOM 442 O LEU B 14 6.964 0.376 10.720 1.00 0.00 O ATOM 443 CB LEU B 14 7.557 -1.217 8.597 1.00 0.00 C ATOM 444 CG LEU B 14 7.265 -2.468 7.767 1.00 0.00 C ATOM 445 CD1 LEU B 14 8.490 -3.366 7.706 1.00 0.00 C ATOM 446 CD2 LEU B 14 6.076 -3.222 8.343 1.00 0.00 C ATOM 0 H LEU B 14 8.005 1.204 7.497 1.00 0.00 H new ATOM 0 HA LEU B 14 5.622 -0.458 8.092 1.00 0.00 H new ATOM 0 HB2 LEU B 14 8.567 -0.876 8.368 1.00 0.00 H new ATOM 0 HB3 LEU B 14 7.544 -1.489 9.652 1.00 0.00 H new ATOM 0 HG LEU B 14 7.017 -2.159 6.752 1.00 0.00 H new ATOM 0 HD11 LEU B 14 8.263 -4.251 7.111 1.00 0.00 H new ATOM 0 HD12 LEU B 14 9.317 -2.823 7.248 1.00 0.00 H new ATOM 0 HD13 LEU B 14 8.770 -3.669 8.715 1.00 0.00 H new ATOM 0 HD21 LEU B 14 5.882 -4.109 7.741 1.00 0.00 H new ATOM 0 HD22 LEU B 14 6.296 -3.520 9.368 1.00 0.00 H new ATOM 0 HD23 LEU B 14 5.197 -2.577 8.334 1.00 0.00 H new ATOM 458 N GLU B 15 5.669 1.825 9.584 1.00 0.00 N ATOM 459 CA GLU B 15 5.418 2.689 10.728 1.00 0.00 C ATOM 460 C GLU B 15 4.118 3.462 10.540 1.00 0.00 C ATOM 461 O GLU B 15 4.123 4.599 10.073 1.00 0.00 O ATOM 462 CB GLU B 15 6.581 3.663 10.925 1.00 0.00 C ATOM 463 CG GLU B 15 6.840 4.554 9.720 1.00 0.00 C ATOM 464 CD GLU B 15 6.522 6.012 9.990 1.00 0.00 C ATOM 465 OE1 GLU B 15 5.740 6.287 10.924 1.00 0.00 O ATOM 466 OE2 GLU B 15 7.056 6.879 9.267 1.00 0.00 O ATOM 0 H GLU B 15 5.218 2.132 8.722 1.00 0.00 H new ATOM 0 HA GLU B 15 5.327 2.063 11.616 1.00 0.00 H new ATOM 0 HB2 GLU B 15 6.376 4.290 11.793 1.00 0.00 H new ATOM 0 HB3 GLU B 15 7.485 3.096 11.148 1.00 0.00 H new ATOM 0 HG2 GLU B 15 7.885 4.463 9.424 1.00 0.00 H new ATOM 0 HG3 GLU B 15 6.240 4.205 8.880 1.00 0.00 H new ATOM 473 N ASN B 16 3.010 2.823 10.898 1.00 0.00 N ATOM 474 CA ASN B 16 1.682 3.426 10.772 1.00 0.00 C ATOM 475 C ASN B 16 1.468 3.994 9.372 1.00 0.00 C ATOM 476 O ASN B 16 0.809 5.018 9.194 1.00 0.00 O ATOM 477 CB ASN B 16 1.472 4.515 11.834 1.00 0.00 C ATOM 478 CG ASN B 16 2.329 5.746 11.605 1.00 0.00 C ATOM 479 OD1 ASN B 16 3.451 5.836 12.102 1.00 0.00 O ATOM 480 ND2 ASN B 16 1.802 6.705 10.851 1.00 0.00 N ATOM 0 H ASN B 16 3.003 1.878 11.282 1.00 0.00 H new ATOM 0 HA ASN B 16 0.943 2.641 10.936 1.00 0.00 H new ATOM 0 HB2 ASN B 16 0.422 4.808 11.842 1.00 0.00 H new ATOM 0 HB3 ASN B 16 1.696 4.102 12.818 1.00 0.00 H new ATOM 0 HD21 ASN B 16 2.332 7.557 10.665 1.00 0.00 H new ATOM 0 HD22 ASN B 16 0.868 6.589 10.458 1.00 0.00 H new ATOM 487 N ILE B 17 2.027 3.309 8.381 1.00 0.00 N ATOM 488 CA ILE B 17 1.904 3.721 6.990 1.00 0.00 C ATOM 489 C ILE B 17 0.545 3.322 6.425 1.00 0.00 C ATOM 490 O ILE B 17 -0.175 2.520 7.018 1.00 0.00 O ATOM 491 CB ILE B 17 3.035 3.112 6.152 1.00 0.00 C ATOM 492 CG1 ILE B 17 4.372 3.739 6.562 1.00 0.00 C ATOM 493 CG2 ILE B 17 2.794 3.252 4.651 1.00 0.00 C ATOM 494 CD1 ILE B 17 4.807 4.907 5.699 1.00 0.00 C ATOM 0 H ILE B 17 2.574 2.459 8.518 1.00 0.00 H new ATOM 0 HA ILE B 17 1.984 4.807 6.946 1.00 0.00 H new ATOM 0 HB ILE B 17 3.062 2.041 6.354 1.00 0.00 H new ATOM 0 HG12 ILE B 17 4.300 4.074 7.597 1.00 0.00 H new ATOM 0 HG13 ILE B 17 5.145 2.971 6.529 1.00 0.00 H new ATOM 0 HG21 ILE B 17 3.625 2.804 4.106 1.00 0.00 H new ATOM 0 HG22 ILE B 17 1.868 2.744 4.382 1.00 0.00 H new ATOM 0 HG23 ILE B 17 2.717 4.308 4.392 1.00 0.00 H new ATOM 0 HD11 ILE B 17 5.762 5.290 6.059 1.00 0.00 H new ATOM 0 HD12 ILE B 17 4.915 4.576 4.666 1.00 0.00 H new ATOM 0 HD13 ILE B 17 4.057 5.696 5.750 1.00 0.00 H new ATOM 506 N ASP B 18 0.202 3.895 5.283 1.00 0.00 N ATOM 507 CA ASP B 18 -1.071 3.614 4.628 1.00 0.00 C ATOM 508 C ASP B 18 -1.219 2.129 4.322 1.00 0.00 C ATOM 509 O ASP B 18 -0.909 1.679 3.218 1.00 0.00 O ATOM 510 CB ASP B 18 -1.192 4.421 3.335 1.00 0.00 C ATOM 511 CG ASP B 18 -1.073 5.914 3.571 1.00 0.00 C ATOM 512 OD1 ASP B 18 -0.532 6.308 4.625 1.00 0.00 O ATOM 513 OD2 ASP B 18 -1.520 6.690 2.701 1.00 0.00 O ATOM 0 H ASP B 18 0.790 4.563 4.785 1.00 0.00 H new ATOM 0 HA ASP B 18 -1.868 3.905 5.312 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -0.417 4.103 2.638 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -2.151 4.206 2.864 1.00 0.00 H new ATOM 518 N VAL B 19 -1.706 1.370 5.298 1.00 0.00 N ATOM 519 CA VAL B 19 -1.903 -0.061 5.118 1.00 0.00 C ATOM 520 C VAL B 19 -3.350 -0.362 4.744 1.00 0.00 C ATOM 521 O VAL B 19 -4.264 -0.177 5.546 1.00 0.00 O ATOM 522 CB VAL B 19 -1.532 -0.857 6.384 1.00 0.00 C ATOM 523 CG1 VAL B 19 -1.600 -2.351 6.113 1.00 0.00 C ATOM 524 CG2 VAL B 19 -0.147 -0.467 6.874 1.00 0.00 C ATOM 0 H VAL B 19 -1.970 1.722 6.218 1.00 0.00 H new ATOM 0 HA VAL B 19 -1.241 -0.372 4.310 1.00 0.00 H new ATOM 0 HB VAL B 19 -2.253 -0.615 7.165 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -1.335 -2.897 7.018 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -2.612 -2.620 5.810 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -0.902 -2.608 5.316 1.00 0.00 H new ATOM 0 HG21 VAL B 19 0.097 -1.040 7.769 1.00 0.00 H new ATOM 0 HG22 VAL B 19 0.587 -0.678 6.096 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -0.130 0.597 7.109 1.00 0.00 H new ATOM 534 N CYS B 20 -3.544 -0.823 3.514 1.00 0.00 N ATOM 535 CA CYS B 20 -4.874 -1.153 3.007 1.00 0.00 C ATOM 536 C CYS B 20 -5.664 -1.987 4.013 1.00 0.00 C ATOM 537 O CYS B 20 -5.543 -3.212 4.051 1.00 0.00 O ATOM 538 CB CYS B 20 -4.742 -1.898 1.684 1.00 0.00 C ATOM 539 SG CYS B 20 -6.319 -2.185 0.810 1.00 0.00 S ATOM 0 H CYS B 20 -2.791 -0.978 2.843 1.00 0.00 H new ATOM 0 HA CYS B 20 -5.424 -0.225 2.849 1.00 0.00 H new ATOM 0 HB2 CYS B 20 -4.077 -1.334 1.030 1.00 0.00 H new ATOM 0 HB3 CYS B 20 -4.265 -2.860 1.870 1.00 0.00 H new ATOM 544 N GLU B 21 -6.470 -1.311 4.825 1.00 0.00 N ATOM 545 CA GLU B 21 -7.282 -1.980 5.835 1.00 0.00 C ATOM 546 C GLU B 21 -8.221 -3.004 5.203 1.00 0.00 C ATOM 547 O GLU B 21 -8.687 -3.926 5.873 1.00 0.00 O ATOM 548 CB GLU B 21 -8.092 -0.955 6.630 1.00 0.00 C ATOM 549 CG GLU B 21 -8.936 -0.039 5.759 1.00 0.00 C ATOM 550 CD GLU B 21 -10.393 -0.457 5.715 1.00 0.00 C ATOM 551 OE1 GLU B 21 -10.659 -1.677 5.699 1.00 0.00 O ATOM 552 OE2 GLU B 21 -11.267 0.435 5.697 1.00 0.00 O ATOM 0 H GLU B 21 -6.578 -0.297 4.803 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.606 -2.506 6.509 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -8.744 -1.481 7.328 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -7.410 -0.349 7.226 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -8.866 0.981 6.136 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -8.533 -0.033 4.746 1.00 0.00 H new ATOM 559 N ASN B 22 -8.495 -2.842 3.911 1.00 0.00 N ATOM 560 CA ASN B 22 -9.379 -3.758 3.198 1.00 0.00 C ATOM 561 C ASN B 22 -8.896 -5.197 3.347 1.00 0.00 C ATOM 562 O ASN B 22 -9.695 -6.120 3.505 1.00 0.00 O ATOM 563 CB ASN B 22 -9.455 -3.380 1.717 1.00 0.00 C ATOM 564 CG ASN B 22 -10.884 -3.224 1.235 1.00 0.00 C ATOM 565 OD1 ASN B 22 -11.419 -4.095 0.551 1.00 0.00 O ATOM 566 ND2 ASN B 22 -11.510 -2.108 1.592 1.00 0.00 N ATOM 0 H ASN B 22 -8.118 -2.087 3.338 1.00 0.00 H new ATOM 0 HA ASN B 22 -10.375 -3.680 3.633 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -8.915 -2.447 1.554 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -8.955 -4.145 1.123 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -12.473 -1.947 1.298 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -11.027 -1.412 2.160 1.00 0.00 H new ATOM 573 N CYS B 23 -7.580 -5.377 3.298 1.00 0.00 N ATOM 574 CA CYS B 23 -6.984 -6.702 3.428 1.00 0.00 C ATOM 575 C CYS B 23 -5.943 -6.740 4.551 1.00 0.00 C ATOM 576 O CYS B 23 -5.405 -7.800 4.868 1.00 0.00 O ATOM 577 CB CYS B 23 -6.338 -7.124 2.106 1.00 0.00 C ATOM 578 SG CYS B 23 -5.299 -5.839 1.338 1.00 0.00 S ATOM 0 H CYS B 23 -6.906 -4.622 3.169 1.00 0.00 H new ATOM 0 HA CYS B 23 -7.781 -7.401 3.681 1.00 0.00 H new ATOM 0 HB2 CYS B 23 -5.730 -8.012 2.279 1.00 0.00 H new ATOM 0 HB3 CYS B 23 -7.123 -7.407 1.405 1.00 0.00 H new ATOM 583 N HIS B 24 -5.658 -5.576 5.145 1.00 0.00 N ATOM 584 CA HIS B 24 -4.676 -5.474 6.227 1.00 0.00 C ATOM 585 C HIS B 24 -3.244 -5.468 5.692 1.00 0.00 C ATOM 586 O HIS B 24 -2.297 -5.200 6.431 1.00 0.00 O ATOM 587 CB HIS B 24 -4.855 -6.602 7.236 1.00 0.00 C ATOM 588 CG HIS B 24 -5.026 -6.126 8.647 1.00 0.00 C ATOM 589 ND1 HIS B 24 -4.937 -6.963 9.739 1.00 0.00 N ATOM 590 CD2 HIS B 24 -5.282 -4.891 9.140 1.00 0.00 C ATOM 591 CE1 HIS B 24 -5.131 -6.264 10.844 1.00 0.00 C ATOM 592 NE2 HIS B 24 -5.342 -5.004 10.508 1.00 0.00 N ATOM 0 H HIS B 24 -6.096 -4.690 4.893 1.00 0.00 H new ATOM 0 HA HIS B 24 -4.852 -4.523 6.730 1.00 0.00 H new ATOM 0 HB2 HIS B 24 -5.725 -7.195 6.954 1.00 0.00 H new ATOM 0 HB3 HIS B 24 -3.989 -7.262 7.187 1.00 0.00 H new ATOM 0 HD2 HIS B 24 -5.414 -3.986 8.565 1.00 0.00 H new ATOM 0 HE1 HIS B 24 -5.119 -6.656 11.850 1.00 0.00 H new ATOM 0 HE2 HIS B 24 -5.521 -4.239 11.159 1.00 0.00 H new ATOM 601 N TYR B 25 -3.091 -5.757 4.402 1.00 0.00 N ATOM 602 CA TYR B 25 -1.792 -5.780 3.765 1.00 0.00 C ATOM 603 C TYR B 25 -1.293 -4.362 3.500 1.00 0.00 C ATOM 604 O TYR B 25 -2.073 -3.474 3.160 1.00 0.00 O ATOM 605 CB TYR B 25 -1.898 -6.552 2.467 1.00 0.00 C ATOM 606 CG TYR B 25 -2.465 -7.947 2.629 1.00 0.00 C ATOM 607 CD1 TYR B 25 -2.114 -8.738 3.716 1.00 0.00 C ATOM 608 CD2 TYR B 25 -3.349 -8.471 1.695 1.00 0.00 C ATOM 609 CE1 TYR B 25 -2.628 -10.012 3.866 1.00 0.00 C ATOM 610 CE2 TYR B 25 -3.868 -9.744 1.838 1.00 0.00 C ATOM 611 CZ TYR B 25 -3.504 -10.510 2.926 1.00 0.00 C ATOM 612 OH TYR B 25 -4.017 -11.778 3.072 1.00 0.00 O ATOM 0 H TYR B 25 -3.866 -5.980 3.777 1.00 0.00 H new ATOM 0 HA TYR B 25 -1.075 -6.267 4.426 1.00 0.00 H new ATOM 0 HB2 TYR B 25 -2.526 -5.993 1.773 1.00 0.00 H new ATOM 0 HB3 TYR B 25 -0.908 -6.622 2.015 1.00 0.00 H new ATOM 0 HD1 TYR B 25 -1.429 -8.351 4.455 1.00 0.00 H new ATOM 0 HD2 TYR B 25 -3.636 -7.874 0.842 1.00 0.00 H new ATOM 0 HE1 TYR B 25 -2.344 -10.615 4.716 1.00 0.00 H new ATOM 0 HE2 TYR B 25 -4.554 -10.137 1.102 1.00 0.00 H new ATOM 0 HH TYR B 25 -4.619 -11.975 2.324 1.00 0.00 H new ATOM 622 N PRO B 26 0.020 -4.130 3.662 1.00 0.00 N ATOM 623 CA PRO B 26 0.623 -2.811 3.449 1.00 0.00 C ATOM 624 C PRO B 26 0.680 -2.412 1.976 1.00 0.00 C ATOM 625 O PRO B 26 1.499 -2.932 1.217 1.00 0.00 O ATOM 626 CB PRO B 26 2.050 -2.959 4.005 1.00 0.00 C ATOM 627 CG PRO B 26 2.092 -4.283 4.697 1.00 0.00 C ATOM 628 CD PRO B 26 1.019 -5.124 4.075 1.00 0.00 C ATOM 0 HA PRO B 26 0.036 -2.032 3.935 1.00 0.00 H new ATOM 0 HB2 PRO B 26 2.787 -2.915 3.203 1.00 0.00 H new ATOM 0 HB3 PRO B 26 2.284 -2.150 4.697 1.00 0.00 H new ATOM 0 HG2 PRO B 26 3.069 -4.751 4.579 1.00 0.00 H new ATOM 0 HG3 PRO B 26 1.922 -4.167 5.767 1.00 0.00 H new ATOM 0 HD2 PRO B 26 1.395 -5.695 3.226 1.00 0.00 H new ATOM 0 HD3 PRO B 26 0.606 -5.841 4.784 1.00 0.00 H new ATOM 636 N ILE B 27 -0.174 -1.471 1.580 1.00 0.00 N ATOM 637 CA ILE B 27 -0.189 -0.993 0.202 1.00 0.00 C ATOM 638 C ILE B 27 0.992 -0.057 -0.051 1.00 0.00 C ATOM 639 O ILE B 27 0.983 1.102 0.363 1.00 0.00 O ATOM 640 CB ILE B 27 -1.529 -0.293 -0.156 1.00 0.00 C ATOM 641 CG1 ILE B 27 -2.492 -1.308 -0.772 1.00 0.00 C ATOM 642 CG2 ILE B 27 -1.310 0.887 -1.101 1.00 0.00 C ATOM 643 CD1 ILE B 27 -3.771 -0.699 -1.308 1.00 0.00 C ATOM 0 H ILE B 27 -0.860 -1.027 2.190 1.00 0.00 H new ATOM 0 HA ILE B 27 -0.095 -1.863 -0.447 1.00 0.00 H new ATOM 0 HB ILE B 27 -1.965 0.103 0.761 1.00 0.00 H new ATOM 0 HG12 ILE B 27 -1.983 -1.830 -1.582 1.00 0.00 H new ATOM 0 HG13 ILE B 27 -2.745 -2.056 -0.020 1.00 0.00 H new ATOM 0 HG21 ILE B 27 -2.269 1.353 -1.330 1.00 0.00 H new ATOM 0 HG22 ILE B 27 -0.656 1.618 -0.625 1.00 0.00 H new ATOM 0 HG23 ILE B 27 -0.849 0.534 -2.023 1.00 0.00 H new ATOM 0 HD11 ILE B 27 -4.400 -1.484 -1.728 1.00 0.00 H new ATOM 0 HD12 ILE B 27 -4.304 -0.201 -0.498 1.00 0.00 H new ATOM 0 HD13 ILE B 27 -3.531 0.027 -2.084 1.00 0.00 H new ATOM 655 N VAL B 28 2.011 -0.578 -0.728 1.00 0.00 N ATOM 656 CA VAL B 28 3.205 0.190 -1.037 1.00 0.00 C ATOM 657 C VAL B 28 3.172 0.568 -2.513 1.00 0.00 C ATOM 658 O VAL B 28 2.504 -0.073 -3.325 1.00 0.00 O ATOM 659 CB VAL B 28 4.500 -0.591 -0.796 1.00 0.00 C ATOM 660 CG1 VAL B 28 5.569 0.269 -0.135 1.00 0.00 C ATOM 661 CG2 VAL B 28 4.263 -1.890 -0.038 1.00 0.00 C ATOM 0 H VAL B 28 2.030 -1.537 -1.074 1.00 0.00 H new ATOM 0 HA VAL B 28 3.203 1.059 -0.379 1.00 0.00 H new ATOM 0 HB VAL B 28 4.880 -0.872 -1.778 1.00 0.00 H new ATOM 0 HG11 VAL B 28 6.470 -0.324 0.018 1.00 0.00 H new ATOM 0 HG12 VAL B 28 5.799 1.120 -0.776 1.00 0.00 H new ATOM 0 HG13 VAL B 28 5.204 0.628 0.827 1.00 0.00 H new ATOM 0 HG21 VAL B 28 5.213 -2.405 0.107 1.00 0.00 H new ATOM 0 HG22 VAL B 28 3.818 -1.669 0.932 1.00 0.00 H new ATOM 0 HG23 VAL B 28 3.588 -2.527 -0.610 1.00 0.00 H new ATOM 671 N PRO B 29 3.902 1.609 -2.857 1.00 0.00 N ATOM 672 CA PRO B 29 4.009 2.121 -4.206 1.00 0.00 C ATOM 673 C PRO B 29 5.158 1.482 -4.981 1.00 0.00 C ATOM 674 O PRO B 29 6.239 1.260 -4.437 1.00 0.00 O ATOM 675 CB PRO B 29 4.276 3.608 -3.967 1.00 0.00 C ATOM 676 CG PRO B 29 4.946 3.681 -2.622 1.00 0.00 C ATOM 677 CD PRO B 29 4.714 2.357 -1.929 1.00 0.00 C ATOM 0 HA PRO B 29 3.124 1.914 -4.808 1.00 0.00 H new ATOM 0 HB2 PRO B 29 4.914 4.023 -4.747 1.00 0.00 H new ATOM 0 HB3 PRO B 29 3.348 4.180 -3.976 1.00 0.00 H new ATOM 0 HG2 PRO B 29 6.013 3.874 -2.735 1.00 0.00 H new ATOM 0 HG3 PRO B 29 4.535 4.500 -2.032 1.00 0.00 H new ATOM 0 HD2 PRO B 29 5.654 1.846 -1.721 1.00 0.00 H new ATOM 0 HD3 PRO B 29 4.206 2.491 -0.974 1.00 0.00 H new ATOM 685 N LEU B 30 4.911 1.180 -6.253 1.00 0.00 N ATOM 686 CA LEU B 30 5.910 0.559 -7.103 1.00 0.00 C ATOM 687 C LEU B 30 7.239 1.308 -7.043 1.00 0.00 C ATOM 688 O LEU B 30 7.270 2.522 -6.841 1.00 0.00 O ATOM 689 CB LEU B 30 5.412 0.499 -8.550 1.00 0.00 C ATOM 690 CG LEU B 30 3.970 0.014 -8.718 1.00 0.00 C ATOM 691 CD1 LEU B 30 3.043 1.181 -9.019 1.00 0.00 C ATOM 692 CD2 LEU B 30 3.883 -1.035 -9.817 1.00 0.00 C ATOM 0 H LEU B 30 4.020 1.359 -6.716 1.00 0.00 H new ATOM 0 HA LEU B 30 6.075 -0.454 -6.735 1.00 0.00 H new ATOM 0 HB2 LEU B 30 5.499 1.493 -8.990 1.00 0.00 H new ATOM 0 HB3 LEU B 30 6.069 -0.159 -9.118 1.00 0.00 H new ATOM 0 HG LEU B 30 3.652 -0.443 -7.781 1.00 0.00 H new ATOM 0 HD11 LEU B 30 2.023 0.815 -9.135 1.00 0.00 H new ATOM 0 HD12 LEU B 30 3.081 1.897 -8.198 1.00 0.00 H new ATOM 0 HD13 LEU B 30 3.360 1.669 -9.941 1.00 0.00 H new ATOM 0 HD21 LEU B 30 2.850 -1.368 -9.922 1.00 0.00 H new ATOM 0 HD22 LEU B 30 4.223 -0.604 -10.759 1.00 0.00 H new ATOM 0 HD23 LEU B 30 4.514 -1.886 -9.559 1.00 0.00 H new ATOM 704 N ASP B 31 8.333 0.576 -7.218 1.00 0.00 N ATOM 705 CA ASP B 31 9.665 1.168 -7.184 1.00 0.00 C ATOM 706 C ASP B 31 9.864 2.128 -8.353 1.00 0.00 C ATOM 707 O ASP B 31 9.643 1.767 -9.509 1.00 0.00 O ATOM 708 CB ASP B 31 10.733 0.074 -7.219 1.00 0.00 C ATOM 709 CG ASP B 31 12.123 0.613 -6.949 1.00 0.00 C ATOM 710 OD1 ASP B 31 12.382 1.041 -5.804 1.00 0.00 O ATOM 711 OD2 ASP B 31 12.954 0.609 -7.882 1.00 0.00 O ATOM 0 H ASP B 31 8.324 -0.430 -7.385 1.00 0.00 H new ATOM 0 HA ASP B 31 9.762 1.731 -6.255 1.00 0.00 H new ATOM 0 HB2 ASP B 31 10.492 -0.689 -6.478 1.00 0.00 H new ATOM 0 HB3 ASP B 31 10.718 -0.413 -8.194 1.00 0.00 H new ATOM 716 N GLY B 32 10.283 3.351 -8.045 1.00 0.00 N ATOM 717 CA GLY B 32 10.505 4.343 -9.079 1.00 0.00 C ATOM 718 C GLY B 32 9.894 5.688 -8.735 1.00 0.00 C ATOM 719 O GLY B 32 8.702 5.908 -8.948 1.00 0.00 O ATOM 0 H GLY B 32 10.473 3.673 -7.096 1.00 0.00 H new ATOM 0 HA2 GLY B 32 11.577 4.464 -9.237 1.00 0.00 H new ATOM 0 HA3 GLY B 32 10.082 3.985 -10.018 1.00 0.00 H new ATOM 723 N LYS B 33 10.714 6.587 -8.201 1.00 0.00 N ATOM 724 CA LYS B 33 10.249 7.917 -7.825 1.00 0.00 C ATOM 725 C LYS B 33 9.149 7.831 -6.771 1.00 0.00 C ATOM 726 O LYS B 33 8.018 7.446 -7.070 1.00 0.00 O ATOM 727 CB LYS B 33 9.737 8.669 -9.058 1.00 0.00 C ATOM 728 CG LYS B 33 10.663 9.783 -9.518 1.00 0.00 C ATOM 729 CD LYS B 33 11.982 9.233 -10.036 1.00 0.00 C ATOM 730 CE LYS B 33 11.798 8.493 -11.350 1.00 0.00 C ATOM 731 NZ LYS B 33 13.046 8.489 -12.164 1.00 0.00 N ATOM 0 H LYS B 33 11.703 6.419 -8.019 1.00 0.00 H new ATOM 0 HA LYS B 33 11.091 8.463 -7.400 1.00 0.00 H new ATOM 0 HB2 LYS B 33 9.601 7.960 -9.875 1.00 0.00 H new ATOM 0 HB3 LYS B 33 8.757 9.091 -8.835 1.00 0.00 H new ATOM 0 HG2 LYS B 33 10.176 10.362 -10.303 1.00 0.00 H new ATOM 0 HG3 LYS B 33 10.852 10.465 -8.689 1.00 0.00 H new ATOM 0 HD2 LYS B 33 12.690 10.051 -10.173 1.00 0.00 H new ATOM 0 HD3 LYS B 33 12.413 8.560 -9.295 1.00 0.00 H new ATOM 0 HE2 LYS B 33 11.492 7.466 -11.149 1.00 0.00 H new ATOM 0 HE3 LYS B 33 10.994 8.959 -11.920 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 12.879 7.975 -13.052 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 13.324 9.468 -12.378 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 13.807 8.022 -11.631 1.00 0.00 H new ATOM 745 N GLY B 34 9.488 8.193 -5.539 1.00 0.00 N ATOM 746 CA GLY B 34 8.520 8.149 -4.459 1.00 0.00 C ATOM 747 C GLY B 34 9.041 7.413 -3.241 1.00 0.00 C ATOM 748 O GLY B 34 8.665 7.726 -2.111 1.00 0.00 O ATOM 0 H GLY B 34 10.417 8.516 -5.269 1.00 0.00 H new ATOM 0 HA2 GLY B 34 8.250 9.166 -4.176 1.00 0.00 H new ATOM 0 HA3 GLY B 34 7.610 7.663 -4.811 1.00 0.00 H new ATOM 752 N THR B 35 9.908 6.432 -3.470 1.00 0.00 N ATOM 753 CA THR B 35 10.482 5.649 -2.383 1.00 0.00 C ATOM 754 C THR B 35 11.899 5.199 -2.724 1.00 0.00 C ATOM 755 O THR B 35 12.545 5.866 -3.559 1.00 0.00 O ATOM 756 CB THR B 35 9.605 4.431 -2.086 1.00 0.00 C ATOM 757 OG1 THR B 35 10.131 3.688 -1.001 1.00 0.00 O ATOM 758 CG2 THR B 35 9.470 3.491 -3.264 1.00 0.00 C ATOM 759 OXT THR B 35 12.350 4.183 -2.154 1.00 0.00 O ATOM 0 H THR B 35 10.228 6.161 -4.400 1.00 0.00 H new ATOM 0 HA THR B 35 10.526 6.282 -1.497 1.00 0.00 H new ATOM 0 HB THR B 35 8.620 4.834 -1.848 1.00 0.00 H new ATOM 0 HG1 THR B 35 11.061 3.443 -1.192 1.00 0.00 H new ATOM 0 HG21 THR B 35 8.836 2.649 -2.987 1.00 0.00 H new ATOM 0 HG22 THR B 35 9.021 4.022 -4.104 1.00 0.00 H new ATOM 0 HG23 THR B 35 10.455 3.124 -3.551 1.00 0.00 H new TER 767 THR B 35 HETATM 768 ZN ZN A 207 -5.810 -4.208 -0.276 1.00 0.00 ZN