USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 541 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: A 121 GLN : amide:sc= -2.45! C(o=-2.5!,f=-17!) USER MOD Set 1.2: A 122 SER OG : rot 180:sc= -0.0106 USER MOD Single : A 67 SER OG : rot -150:sc= 0 USER MOD Single : A 71 SER OG : rot 110:sc= 0.422 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.22) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc=-0.00429 USER MOD Single : A 94 SER OG : rot 23:sc= 0.637 USER MOD Single : A 97 MET CE :methyl 161:sc= -0.129 (180deg=-1.01) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl -143:sc= -2.41 (180deg=-5.5!) USER MOD Single : A 120 SER OG : rot -54:sc= 0.0151 USER MOD Single : A 123 GLN : amide:sc= -0.121 K(o=-0.12,f=-2!) USER MOD Single : A 124 HIS : no HD1:sc= -0.692 K(o=-0.69,f=-3.9!) USER MOD Single : A 125 SER OG : rot -11:sc= 1.24 USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 85 N ARG A 66 -4.977 13.465 1.946 1.00 0.00 N ATOM 86 CA ARG A 66 -5.619 12.372 1.226 1.00 0.00 C ATOM 87 C ARG A 66 -4.936 11.042 1.536 1.00 0.00 C ATOM 88 O ARG A 66 -4.601 10.280 0.630 1.00 0.00 O ATOM 89 CB ARG A 66 -5.586 12.635 -0.280 1.00 0.00 C ATOM 90 CG ARG A 66 -5.835 14.089 -0.650 1.00 0.00 C ATOM 91 CD ARG A 66 -5.323 14.404 -2.046 1.00 0.00 C ATOM 92 NE ARG A 66 -5.375 15.834 -2.338 1.00 0.00 N ATOM 93 CZ ARG A 66 -5.329 16.335 -3.567 1.00 0.00 C ATOM 94 NH1 ARG A 66 -5.231 15.527 -4.613 1.00 0.00 N ATOM 95 NH2 ARG A 66 -5.383 17.648 -3.752 1.00 0.00 N ATOM 0 HA ARG A 66 -6.657 12.314 1.555 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.616 12.330 -0.672 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.337 12.012 -0.766 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.903 14.301 -0.596 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.344 14.739 0.074 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.296 14.051 -2.144 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.918 13.862 -2.781 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.451 16.483 -1.555 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.191 14.517 -4.475 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.196 15.915 -5.556 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.460 18.273 -2.950 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.348 18.032 -4.696 1.00 0.00 H new ATOM 109 N SER A 67 -4.733 10.773 2.821 1.00 0.00 N ATOM 110 CA SER A 67 -4.086 9.538 3.251 1.00 0.00 C ATOM 111 C SER A 67 -4.936 8.813 4.290 1.00 0.00 C ATOM 112 O SER A 67 -5.912 9.361 4.803 1.00 0.00 O ATOM 113 CB SER A 67 -2.701 9.836 3.826 1.00 0.00 C ATOM 114 OG SER A 67 -2.776 10.796 4.866 1.00 0.00 O ATOM 0 H SER A 67 -5.007 11.393 3.583 1.00 0.00 H new ATOM 0 HA SER A 67 -3.978 8.891 2.380 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.257 8.917 4.207 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.047 10.203 3.035 1.00 0.00 H new ATOM 0 HG SER A 67 -1.944 11.313 4.894 1.00 0.00 H new ATOM 120 N VAL A 68 -4.557 7.576 4.596 1.00 0.00 N ATOM 121 CA VAL A 68 -5.282 6.774 5.574 1.00 0.00 C ATOM 122 C VAL A 68 -4.352 5.794 6.280 1.00 0.00 C ATOM 123 O VAL A 68 -3.496 5.171 5.651 1.00 0.00 O ATOM 124 CB VAL A 68 -6.432 5.990 4.916 1.00 0.00 C ATOM 125 CG1 VAL A 68 -7.394 6.938 4.216 1.00 0.00 C ATOM 126 CG2 VAL A 68 -5.884 4.959 3.941 1.00 0.00 C ATOM 0 H VAL A 68 -3.752 7.108 4.180 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.697 7.467 6.305 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.982 5.464 5.696 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.200 6.365 3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.812 7.634 4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.860 7.495 3.446 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.711 4.414 3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.309 5.463 3.164 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.239 4.261 4.474 1.00 0.00 H new ATOM 136 N PHE A 69 -4.524 5.662 7.591 1.00 0.00 N ATOM 137 CA PHE A 69 -3.699 4.758 8.383 1.00 0.00 C ATOM 138 C PHE A 69 -4.271 3.344 8.366 1.00 0.00 C ATOM 139 O PHE A 69 -5.291 3.066 8.997 1.00 0.00 O ATOM 140 CB PHE A 69 -3.595 5.260 9.825 1.00 0.00 C ATOM 141 CG PHE A 69 -2.814 4.344 10.724 1.00 0.00 C ATOM 142 CD1 PHE A 69 -1.434 4.269 10.629 1.00 0.00 C ATOM 143 CD2 PHE A 69 -3.461 3.558 11.664 1.00 0.00 C ATOM 144 CE1 PHE A 69 -0.713 3.427 11.454 1.00 0.00 C ATOM 145 CE2 PHE A 69 -2.745 2.714 12.492 1.00 0.00 C ATOM 146 CZ PHE A 69 -1.370 2.649 12.388 1.00 0.00 C ATOM 0 H PHE A 69 -5.227 6.170 8.127 1.00 0.00 H new ATOM 0 HA PHE A 69 -2.703 4.734 7.941 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.126 6.244 9.826 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.599 5.385 10.231 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.915 4.876 9.901 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.536 3.605 11.751 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.362 3.377 11.369 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.261 2.106 13.220 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.809 1.991 13.035 1.00 0.00 H new ATOM 156 N VAL A 70 -3.608 2.452 7.636 1.00 0.00 N ATOM 157 CA VAL A 70 -4.049 1.066 7.535 1.00 0.00 C ATOM 158 C VAL A 70 -3.251 0.166 8.472 1.00 0.00 C ATOM 159 O VAL A 70 -2.021 0.130 8.417 1.00 0.00 O ATOM 160 CB VAL A 70 -3.914 0.538 6.095 1.00 0.00 C ATOM 161 CG1 VAL A 70 -4.190 -0.957 6.047 1.00 0.00 C ATOM 162 CG2 VAL A 70 -4.850 1.292 5.162 1.00 0.00 C ATOM 0 H VAL A 70 -2.763 2.665 7.106 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.100 1.046 7.824 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.891 0.705 5.759 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.090 -1.313 5.022 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.476 -1.479 6.684 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.202 -1.152 6.401 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.742 0.906 4.148 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.880 1.158 5.493 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.600 2.353 5.175 1.00 0.00 H new ATOM 172 N SER A 71 -3.958 -0.560 9.332 1.00 0.00 N ATOM 173 CA SER A 71 -3.316 -1.458 10.284 1.00 0.00 C ATOM 174 C SER A 71 -4.232 -2.628 10.630 1.00 0.00 C ATOM 175 O SER A 71 -5.452 -2.533 10.506 1.00 0.00 O ATOM 176 CB SER A 71 -2.935 -0.700 11.556 1.00 0.00 C ATOM 177 OG SER A 71 -1.828 0.155 11.329 1.00 0.00 O ATOM 0 H SER A 71 -4.976 -0.544 9.389 1.00 0.00 H new ATOM 0 HA SER A 71 -2.412 -1.852 9.821 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.786 -0.114 11.902 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.694 -1.410 12.347 1.00 0.00 H new ATOM 0 HG SER A 71 -2.124 1.089 11.361 1.00 0.00 H new ATOM 183 N GLY A 72 -3.633 -3.733 11.064 1.00 0.00 N ATOM 184 CA GLY A 72 -4.408 -4.906 11.422 1.00 0.00 C ATOM 185 C GLY A 72 -4.497 -5.909 10.289 1.00 0.00 C ATOM 186 O GLY A 72 -5.501 -6.609 10.147 1.00 0.00 O ATOM 0 H GLY A 72 -2.624 -3.836 11.174 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.957 -5.384 12.292 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.413 -4.599 11.712 1.00 0.00 H new ATOM 190 N PHE A 73 -3.446 -5.980 9.480 1.00 0.00 N ATOM 191 CA PHE A 73 -3.410 -6.904 8.352 1.00 0.00 C ATOM 192 C PHE A 73 -2.625 -8.164 8.705 1.00 0.00 C ATOM 193 O PHE A 73 -1.779 -8.168 9.599 1.00 0.00 O ATOM 194 CB PHE A 73 -2.787 -6.226 7.130 1.00 0.00 C ATOM 195 CG PHE A 73 -1.531 -5.464 7.443 1.00 0.00 C ATOM 196 CD1 PHE A 73 -1.591 -4.138 7.841 1.00 0.00 C ATOM 197 CD2 PHE A 73 -0.291 -6.072 7.339 1.00 0.00 C ATOM 198 CE1 PHE A 73 -0.438 -3.433 8.131 1.00 0.00 C ATOM 199 CE2 PHE A 73 0.866 -5.373 7.628 1.00 0.00 C ATOM 200 CZ PHE A 73 0.792 -4.051 8.023 1.00 0.00 C ATOM 0 H PHE A 73 -2.607 -5.409 9.584 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.435 -7.191 8.117 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -2.565 -6.983 6.378 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -3.516 -5.545 6.691 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.550 -3.649 7.926 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.227 -7.104 7.028 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.499 -2.400 8.442 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.827 -5.860 7.545 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.695 -3.502 8.247 1.00 0.00 H new ATOM 210 N PRO A 74 -2.911 -9.260 7.987 1.00 0.00 N ATOM 211 CA PRO A 74 -2.244 -10.546 8.205 1.00 0.00 C ATOM 212 C PRO A 74 -0.841 -10.580 7.610 1.00 0.00 C ATOM 213 O PRO A 74 -0.492 -9.748 6.772 1.00 0.00 O ATOM 214 CB PRO A 74 -3.154 -11.545 7.486 1.00 0.00 C ATOM 215 CG PRO A 74 -3.809 -10.752 6.408 1.00 0.00 C ATOM 216 CD PRO A 74 -3.909 -9.327 6.905 1.00 0.00 C ATOM 0 HA PRO A 74 -2.108 -10.759 9.265 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.582 -12.376 7.074 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.890 -11.971 8.167 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.228 -10.799 5.487 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.798 -11.152 6.182 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.689 -8.611 6.113 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.911 -9.100 7.270 1.00 0.00 H new ATOM 224 N ARG A 75 -0.040 -11.546 8.048 1.00 0.00 N ATOM 225 CA ARG A 75 1.326 -11.687 7.558 1.00 0.00 C ATOM 226 C ARG A 75 1.338 -12.161 6.108 1.00 0.00 C ATOM 227 O ARG A 75 0.471 -12.927 5.687 1.00 0.00 O ATOM 228 CB ARG A 75 2.105 -12.670 8.433 1.00 0.00 C ATOM 229 CG ARG A 75 1.797 -14.128 8.136 1.00 0.00 C ATOM 230 CD ARG A 75 2.460 -15.055 9.142 1.00 0.00 C ATOM 231 NE ARG A 75 1.656 -15.216 10.351 1.00 0.00 N ATOM 232 CZ ARG A 75 1.952 -16.074 11.321 1.00 0.00 C ATOM 233 NH1 ARG A 75 3.027 -16.844 11.225 1.00 0.00 N ATOM 234 NH2 ARG A 75 1.171 -16.163 12.390 1.00 0.00 N ATOM 0 H ARG A 75 -0.313 -12.243 8.741 1.00 0.00 H new ATOM 0 HA ARG A 75 1.805 -10.709 7.606 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.173 -12.498 8.296 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.882 -12.467 9.480 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.718 -14.284 8.153 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.139 -14.376 7.131 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.624 -16.030 8.683 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.440 -14.659 9.408 1.00 0.00 H new ATOM 0 HE ARG A 75 0.822 -14.638 10.456 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.630 -16.779 10.405 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.252 -17.502 11.972 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.343 -15.572 12.467 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.399 -16.822 13.135 1.00 0.00 H new ATOM 248 N GLY A 76 2.326 -11.701 5.347 1.00 0.00 N ATOM 249 CA GLY A 76 2.432 -12.088 3.953 1.00 0.00 C ATOM 250 C GLY A 76 2.030 -10.971 3.009 1.00 0.00 C ATOM 251 O GLY A 76 2.600 -10.827 1.928 1.00 0.00 O ATOM 0 H GLY A 76 3.056 -11.066 5.672 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.458 -12.388 3.739 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.801 -12.958 3.772 1.00 0.00 H new ATOM 255 N VAL A 77 1.043 -10.180 3.417 1.00 0.00 N ATOM 256 CA VAL A 77 0.564 -9.071 2.600 1.00 0.00 C ATOM 257 C VAL A 77 1.698 -8.110 2.261 1.00 0.00 C ATOM 258 O VAL A 77 2.577 -7.855 3.084 1.00 0.00 O ATOM 259 CB VAL A 77 -0.558 -8.293 3.312 1.00 0.00 C ATOM 260 CG1 VAL A 77 -1.117 -7.210 2.403 1.00 0.00 C ATOM 261 CG2 VAL A 77 -1.659 -9.241 3.764 1.00 0.00 C ATOM 0 H VAL A 77 0.559 -10.286 4.309 1.00 0.00 H new ATOM 0 HA VAL A 77 0.169 -9.502 1.680 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.138 -7.812 4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.909 -6.671 2.923 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.322 -6.515 2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.522 -7.666 1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.444 -8.675 4.265 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.078 -9.752 2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.245 -9.976 4.454 1.00 0.00 H new ATOM 271 N ASP A 78 1.670 -7.578 1.044 1.00 0.00 N ATOM 272 CA ASP A 78 2.695 -6.642 0.595 1.00 0.00 C ATOM 273 C ASP A 78 2.063 -5.361 0.059 1.00 0.00 C ATOM 274 O ASP A 78 0.845 -5.275 -0.094 1.00 0.00 O ATOM 275 CB ASP A 78 3.566 -7.286 -0.485 1.00 0.00 C ATOM 276 CG ASP A 78 4.075 -8.655 -0.077 1.00 0.00 C ATOM 277 OD1 ASP A 78 4.737 -8.753 0.978 1.00 0.00 O ATOM 278 OD2 ASP A 78 3.811 -9.629 -0.813 1.00 0.00 O ATOM 0 H ASP A 78 0.949 -7.779 0.351 1.00 0.00 H new ATOM 0 HA ASP A 78 3.320 -6.387 1.451 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.991 -7.375 -1.407 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.414 -6.635 -0.700 1.00 0.00 H new ATOM 283 N SER A 79 2.900 -4.368 -0.223 1.00 0.00 N ATOM 284 CA SER A 79 2.424 -3.089 -0.737 1.00 0.00 C ATOM 285 C SER A 79 1.615 -3.285 -2.016 1.00 0.00 C ATOM 286 O SER A 79 0.605 -2.616 -2.233 1.00 0.00 O ATOM 287 CB SER A 79 3.603 -2.152 -1.005 1.00 0.00 C ATOM 288 OG SER A 79 4.568 -2.771 -1.837 1.00 0.00 O ATOM 0 H SER A 79 3.911 -4.424 -0.104 1.00 0.00 H new ATOM 0 HA SER A 79 1.777 -2.641 0.017 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.244 -1.237 -1.477 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.064 -1.864 -0.060 1.00 0.00 H new ATOM 0 HG SER A 79 5.310 -2.151 -1.994 1.00 0.00 H new ATOM 294 N ALA A 80 2.067 -4.208 -2.859 1.00 0.00 N ATOM 295 CA ALA A 80 1.385 -4.494 -4.115 1.00 0.00 C ATOM 296 C ALA A 80 -0.019 -5.036 -3.867 1.00 0.00 C ATOM 297 O ALA A 80 -0.988 -4.567 -4.463 1.00 0.00 O ATOM 298 CB ALA A 80 2.195 -5.481 -4.942 1.00 0.00 C ATOM 0 H ALA A 80 2.902 -4.770 -2.695 1.00 0.00 H new ATOM 0 HA ALA A 80 1.293 -3.561 -4.670 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.674 -5.686 -5.877 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.175 -5.056 -5.158 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.317 -6.409 -4.384 1.00 0.00 H new ATOM 304 N GLN A 81 -0.119 -6.024 -2.984 1.00 0.00 N ATOM 305 CA GLN A 81 -1.405 -6.630 -2.659 1.00 0.00 C ATOM 306 C GLN A 81 -2.389 -5.580 -2.154 1.00 0.00 C ATOM 307 O GLN A 81 -3.476 -5.415 -2.709 1.00 0.00 O ATOM 308 CB GLN A 81 -1.225 -7.725 -1.607 1.00 0.00 C ATOM 309 CG GLN A 81 -0.883 -9.085 -2.195 1.00 0.00 C ATOM 310 CD GLN A 81 -2.007 -9.654 -3.039 1.00 0.00 C ATOM 311 OE1 GLN A 81 -1.843 -9.886 -4.237 1.00 0.00 O ATOM 312 NE2 GLN A 81 -3.157 -9.883 -2.416 1.00 0.00 N ATOM 0 H GLN A 81 0.674 -6.422 -2.481 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.810 -7.073 -3.569 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -0.435 -7.428 -0.917 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.142 -7.811 -1.024 1.00 0.00 H new ATOM 0 HG2 GLN A 81 0.016 -8.997 -2.805 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.653 -9.779 -1.387 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.248 -9.676 -1.421 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.949 -10.266 -2.932 1.00 0.00 H new ATOM 321 N LEU A 82 -2.001 -4.872 -1.099 1.00 0.00 N ATOM 322 CA LEU A 82 -2.850 -3.837 -0.519 1.00 0.00 C ATOM 323 C LEU A 82 -3.381 -2.900 -1.598 1.00 0.00 C ATOM 324 O LEU A 82 -4.582 -2.642 -1.674 1.00 0.00 O ATOM 325 CB LEU A 82 -2.071 -3.039 0.528 1.00 0.00 C ATOM 326 CG LEU A 82 -1.731 -3.780 1.821 1.00 0.00 C ATOM 327 CD1 LEU A 82 -0.611 -3.070 2.565 1.00 0.00 C ATOM 328 CD2 LEU A 82 -2.964 -3.906 2.704 1.00 0.00 C ATOM 0 H LEU A 82 -1.105 -4.995 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.698 -4.324 -0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.141 -2.695 0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.649 -2.151 0.783 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.389 -4.782 1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.383 -3.612 3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.278 -3.033 1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.924 -2.055 2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.703 -4.436 3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.336 -2.912 2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.737 -4.460 2.172 1.00 0.00 H new ATOM 340 N SER A 83 -2.478 -2.395 -2.433 1.00 0.00 N ATOM 341 CA SER A 83 -2.856 -1.484 -3.508 1.00 0.00 C ATOM 342 C SER A 83 -4.013 -2.055 -4.322 1.00 0.00 C ATOM 343 O SER A 83 -5.092 -1.468 -4.382 1.00 0.00 O ATOM 344 CB SER A 83 -1.658 -1.216 -4.421 1.00 0.00 C ATOM 345 OG SER A 83 -1.881 -0.075 -5.232 1.00 0.00 O ATOM 0 H SER A 83 -1.480 -2.601 -2.386 1.00 0.00 H new ATOM 0 HA SER A 83 -3.180 -0.545 -3.059 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.763 -1.068 -3.817 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.476 -2.085 -5.053 1.00 0.00 H new ATOM 0 HG SER A 83 -1.101 0.076 -5.805 1.00 0.00 H new ATOM 351 N GLU A 84 -3.778 -3.205 -4.946 1.00 0.00 N ATOM 352 CA GLU A 84 -4.800 -3.855 -5.758 1.00 0.00 C ATOM 353 C GLU A 84 -6.097 -4.019 -4.971 1.00 0.00 C ATOM 354 O GLU A 84 -7.183 -4.078 -5.548 1.00 0.00 O ATOM 355 CB GLU A 84 -4.308 -5.222 -6.239 1.00 0.00 C ATOM 356 CG GLU A 84 -4.956 -5.680 -7.535 1.00 0.00 C ATOM 357 CD GLU A 84 -4.957 -7.189 -7.684 1.00 0.00 C ATOM 358 OE1 GLU A 84 -5.738 -7.855 -6.972 1.00 0.00 O ATOM 359 OE2 GLU A 84 -4.178 -7.705 -8.513 1.00 0.00 O ATOM 0 H GLU A 84 -2.890 -3.705 -4.905 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.997 -3.222 -6.623 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.228 -5.182 -6.377 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.503 -5.963 -5.463 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.982 -5.314 -7.573 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.427 -5.236 -8.378 1.00 0.00 H new ATOM 366 N TYR A 85 -5.976 -4.091 -3.650 1.00 0.00 N ATOM 367 CA TYR A 85 -7.137 -4.250 -2.783 1.00 0.00 C ATOM 368 C TYR A 85 -7.829 -2.910 -2.547 1.00 0.00 C ATOM 369 O TYR A 85 -9.031 -2.856 -2.286 1.00 0.00 O ATOM 370 CB TYR A 85 -6.721 -4.865 -1.446 1.00 0.00 C ATOM 371 CG TYR A 85 -7.764 -4.717 -0.361 1.00 0.00 C ATOM 372 CD1 TYR A 85 -8.995 -5.353 -0.462 1.00 0.00 C ATOM 373 CD2 TYR A 85 -7.518 -3.941 0.765 1.00 0.00 C ATOM 374 CE1 TYR A 85 -9.951 -5.221 0.527 1.00 0.00 C ATOM 375 CE2 TYR A 85 -8.467 -3.804 1.760 1.00 0.00 C ATOM 376 CZ TYR A 85 -9.682 -4.445 1.635 1.00 0.00 C ATOM 377 OH TYR A 85 -10.631 -4.311 2.623 1.00 0.00 O ATOM 0 H TYR A 85 -5.085 -4.042 -3.156 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.840 -4.919 -3.279 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -6.509 -5.924 -1.593 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.794 -4.398 -1.113 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.209 -5.961 -1.329 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.568 -3.436 0.864 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -10.903 -5.722 0.433 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -8.259 -3.199 2.630 1.00 0.00 H new ATOM 0 HH TYR A 85 -10.284 -3.733 3.334 1.00 0.00 H new ATOM 387 N PHE A 86 -7.060 -1.831 -2.641 1.00 0.00 N ATOM 388 CA PHE A 86 -7.596 -0.490 -2.437 1.00 0.00 C ATOM 389 C PHE A 86 -7.949 0.163 -3.770 1.00 0.00 C ATOM 390 O PHE A 86 -8.597 1.210 -3.810 1.00 0.00 O ATOM 391 CB PHE A 86 -6.586 0.378 -1.683 1.00 0.00 C ATOM 392 CG PHE A 86 -6.446 0.012 -0.233 1.00 0.00 C ATOM 393 CD1 PHE A 86 -7.537 0.072 0.619 1.00 0.00 C ATOM 394 CD2 PHE A 86 -5.223 -0.392 0.278 1.00 0.00 C ATOM 395 CE1 PHE A 86 -7.411 -0.264 1.954 1.00 0.00 C ATOM 396 CE2 PHE A 86 -5.091 -0.729 1.612 1.00 0.00 C ATOM 397 CZ PHE A 86 -6.187 -0.664 2.451 1.00 0.00 C ATOM 0 H PHE A 86 -6.064 -1.859 -2.857 1.00 0.00 H new ATOM 0 HA PHE A 86 -8.505 -0.576 -1.842 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.613 0.293 -2.167 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.889 1.422 -1.758 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -8.497 0.385 0.236 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.363 -0.444 -0.373 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -8.269 -0.214 2.607 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.132 -1.043 1.998 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.086 -0.926 3.494 1.00 0.00 H new ATOM 407 N LEU A 87 -7.519 -0.462 -4.860 1.00 0.00 N ATOM 408 CA LEU A 87 -7.788 0.057 -6.197 1.00 0.00 C ATOM 409 C LEU A 87 -9.276 -0.024 -6.522 1.00 0.00 C ATOM 410 O LEU A 87 -9.765 0.668 -7.415 1.00 0.00 O ATOM 411 CB LEU A 87 -6.984 -0.721 -7.239 1.00 0.00 C ATOM 412 CG LEU A 87 -5.509 -0.337 -7.373 1.00 0.00 C ATOM 413 CD1 LEU A 87 -4.843 -1.152 -8.470 1.00 0.00 C ATOM 414 CD2 LEU A 87 -5.369 1.152 -7.652 1.00 0.00 C ATOM 0 H LEU A 87 -6.982 -1.329 -4.845 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.485 1.104 -6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.042 -1.782 -6.995 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.462 -0.590 -8.210 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.009 -0.558 -6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.795 -0.865 -8.551 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.911 -2.213 -8.228 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.345 -0.963 -9.419 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.313 1.407 -7.744 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.884 1.398 -8.580 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.809 1.719 -6.831 1.00 0.00 H new ATOM 426 N ALA A 88 -9.992 -0.872 -5.791 1.00 0.00 N ATOM 427 CA ALA A 88 -11.425 -1.039 -5.999 1.00 0.00 C ATOM 428 C ALA A 88 -12.199 0.172 -5.489 1.00 0.00 C ATOM 429 O ALA A 88 -13.343 0.400 -5.882 1.00 0.00 O ATOM 430 CB ALA A 88 -11.913 -2.307 -5.313 1.00 0.00 C ATOM 0 H ALA A 88 -9.603 -1.454 -5.049 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.604 -1.126 -7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.985 -2.420 -5.476 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.390 -3.169 -5.727 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.714 -2.242 -4.243 1.00 0.00 H new ATOM 436 N PHE A 89 -11.568 0.945 -4.612 1.00 0.00 N ATOM 437 CA PHE A 89 -12.199 2.132 -4.047 1.00 0.00 C ATOM 438 C PHE A 89 -11.493 3.400 -4.520 1.00 0.00 C ATOM 439 O PHE A 89 -12.072 4.485 -4.515 1.00 0.00 O ATOM 440 CB PHE A 89 -12.183 2.066 -2.519 1.00 0.00 C ATOM 441 CG PHE A 89 -12.766 0.796 -1.968 1.00 0.00 C ATOM 442 CD1 PHE A 89 -12.048 -0.388 -2.013 1.00 0.00 C ATOM 443 CD2 PHE A 89 -14.032 0.786 -1.405 1.00 0.00 C ATOM 444 CE1 PHE A 89 -12.582 -1.559 -1.507 1.00 0.00 C ATOM 445 CE2 PHE A 89 -14.571 -0.381 -0.897 1.00 0.00 C ATOM 446 CZ PHE A 89 -13.845 -1.555 -0.949 1.00 0.00 C ATOM 0 H PHE A 89 -10.620 0.771 -4.277 1.00 0.00 H new ATOM 0 HA PHE A 89 -13.233 2.162 -4.391 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -11.155 2.166 -2.170 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -12.739 2.915 -2.121 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -11.060 -0.397 -2.448 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -14.604 1.701 -1.363 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -12.012 -2.475 -1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -15.559 -0.375 -0.460 1.00 0.00 H new ATOM 0 HZ PHE A 89 -14.265 -2.468 -0.554 1.00 0.00 H new ATOM 456 N GLY A 90 -10.235 3.253 -4.927 1.00 0.00 N ATOM 457 CA GLY A 90 -9.470 4.394 -5.396 1.00 0.00 C ATOM 458 C GLY A 90 -8.022 4.044 -5.676 1.00 0.00 C ATOM 459 O GLY A 90 -7.498 3.040 -5.192 1.00 0.00 O ATOM 0 H GLY A 90 -9.733 2.365 -4.940 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.928 4.787 -6.304 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.511 5.187 -4.650 1.00 0.00 H new ATOM 463 N PRO A 91 -7.350 4.885 -6.476 1.00 0.00 N ATOM 464 CA PRO A 91 -5.945 4.680 -6.839 1.00 0.00 C ATOM 465 C PRO A 91 -4.994 5.042 -5.704 1.00 0.00 C ATOM 466 O PRO A 91 -5.059 6.142 -5.153 1.00 0.00 O ATOM 467 CB PRO A 91 -5.743 5.624 -8.027 1.00 0.00 C ATOM 468 CG PRO A 91 -6.735 6.715 -7.816 1.00 0.00 C ATOM 469 CD PRO A 91 -7.911 6.101 -7.088 1.00 0.00 C ATOM 0 HA PRO A 91 -5.732 3.635 -7.066 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.725 6.014 -8.054 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -5.914 5.111 -8.974 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -6.300 7.526 -7.232 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -7.050 7.141 -8.769 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -8.313 6.779 -6.335 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.726 5.865 -7.772 1.00 0.00 H new ATOM 477 N VAL A 92 -4.110 4.111 -5.358 1.00 0.00 N ATOM 478 CA VAL A 92 -3.144 4.334 -4.288 1.00 0.00 C ATOM 479 C VAL A 92 -1.887 5.014 -4.817 1.00 0.00 C ATOM 480 O VAL A 92 -1.218 4.497 -5.711 1.00 0.00 O ATOM 481 CB VAL A 92 -2.750 3.012 -3.604 1.00 0.00 C ATOM 482 CG1 VAL A 92 -1.624 3.241 -2.608 1.00 0.00 C ATOM 483 CG2 VAL A 92 -3.957 2.385 -2.921 1.00 0.00 C ATOM 0 H VAL A 92 -4.043 3.196 -5.803 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.625 4.984 -3.557 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.393 2.321 -4.367 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.359 2.296 -2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.754 3.643 -3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.950 3.949 -1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.660 1.452 -2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.346 3.071 -2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.730 2.183 -3.662 1.00 0.00 H new ATOM 493 N ALA A 93 -1.570 6.177 -4.257 1.00 0.00 N ATOM 494 CA ALA A 93 -0.391 6.928 -4.669 1.00 0.00 C ATOM 495 C ALA A 93 0.888 6.250 -4.189 1.00 0.00 C ATOM 496 O ALA A 93 1.831 6.065 -4.958 1.00 0.00 O ATOM 497 CB ALA A 93 -0.463 8.354 -4.145 1.00 0.00 C ATOM 0 H ALA A 93 -2.114 6.619 -3.516 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.371 6.954 -5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.424 8.903 -4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.353 8.843 -4.542 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.512 8.339 -3.056 1.00 0.00 H new ATOM 503 N SER A 94 0.913 5.881 -2.912 1.00 0.00 N ATOM 504 CA SER A 94 2.078 5.226 -2.328 1.00 0.00 C ATOM 505 C SER A 94 1.683 4.405 -1.105 1.00 0.00 C ATOM 506 O SER A 94 0.567 4.521 -0.598 1.00 0.00 O ATOM 507 CB SER A 94 3.132 6.266 -1.941 1.00 0.00 C ATOM 508 OG SER A 94 3.900 6.657 -3.066 1.00 0.00 O ATOM 0 H SER A 94 0.140 6.024 -2.262 1.00 0.00 H new ATOM 0 HA SER A 94 2.499 4.553 -3.075 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.644 7.139 -1.509 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.788 5.855 -1.174 1.00 0.00 H new ATOM 0 HG SER A 94 3.395 6.475 -3.886 1.00 0.00 H new ATOM 514 N VAL A 95 2.608 3.573 -0.635 1.00 0.00 N ATOM 515 CA VAL A 95 2.358 2.732 0.530 1.00 0.00 C ATOM 516 C VAL A 95 3.624 2.556 1.361 1.00 0.00 C ATOM 517 O VAL A 95 4.616 1.998 0.891 1.00 0.00 O ATOM 518 CB VAL A 95 1.830 1.346 0.118 1.00 0.00 C ATOM 519 CG1 VAL A 95 1.615 0.470 1.343 1.00 0.00 C ATOM 520 CG2 VAL A 95 0.544 1.482 -0.682 1.00 0.00 C ATOM 0 H VAL A 95 3.536 3.464 -1.043 1.00 0.00 H new ATOM 0 HA VAL A 95 1.601 3.237 1.129 1.00 0.00 H new ATOM 0 HB VAL A 95 2.576 0.866 -0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.242 -0.506 1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.560 0.345 1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.889 0.942 2.005 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.185 0.492 -0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.211 1.982 -0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.735 2.069 -1.580 1.00 0.00 H new ATOM 530 N VAL A 96 3.583 3.034 2.601 1.00 0.00 N ATOM 531 CA VAL A 96 4.727 2.928 3.499 1.00 0.00 C ATOM 532 C VAL A 96 4.414 2.017 4.681 1.00 0.00 C ATOM 533 O VAL A 96 3.834 2.452 5.676 1.00 0.00 O ATOM 534 CB VAL A 96 5.155 4.309 4.029 1.00 0.00 C ATOM 535 CG1 VAL A 96 6.327 4.174 4.988 1.00 0.00 C ATOM 536 CG2 VAL A 96 5.504 5.237 2.875 1.00 0.00 C ATOM 0 H VAL A 96 2.770 3.498 3.006 1.00 0.00 H new ATOM 0 HA VAL A 96 5.545 2.500 2.920 1.00 0.00 H new ATOM 0 HB VAL A 96 4.318 4.744 4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.615 5.160 5.352 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.037 3.547 5.831 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.171 3.718 4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.804 6.209 3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.325 4.809 2.299 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.634 5.359 2.230 1.00 0.00 H new ATOM 546 N MET A 97 4.802 0.752 4.565 1.00 0.00 N ATOM 547 CA MET A 97 4.564 -0.221 5.626 1.00 0.00 C ATOM 548 C MET A 97 5.827 -0.445 6.451 1.00 0.00 C ATOM 549 O MET A 97 6.942 -0.307 5.946 1.00 0.00 O ATOM 550 CB MET A 97 4.085 -1.547 5.033 1.00 0.00 C ATOM 551 CG MET A 97 5.118 -2.225 4.147 1.00 0.00 C ATOM 552 SD MET A 97 4.929 -4.017 4.106 1.00 0.00 S ATOM 553 CE MET A 97 3.145 -4.170 4.106 1.00 0.00 C ATOM 0 H MET A 97 5.282 0.376 3.748 1.00 0.00 H new ATOM 0 HA MET A 97 3.789 0.176 6.282 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.815 -2.222 5.845 1.00 0.00 H new ATOM 0 HB3 MET A 97 3.180 -1.370 4.452 1.00 0.00 H new ATOM 0 HG2 MET A 97 5.036 -1.832 3.134 1.00 0.00 H new ATOM 0 HG3 MET A 97 6.117 -1.977 4.505 1.00 0.00 H new ATOM 0 HE1 MET A 97 2.865 -5.161 3.749 1.00 0.00 H new ATOM 0 HE2 MET A 97 2.768 -4.029 5.119 1.00 0.00 H new ATOM 0 HE3 MET A 97 2.715 -3.413 3.450 1.00 0.00 H new ATOM 563 N ASP A 98 5.645 -0.792 7.720 1.00 0.00 N ATOM 564 CA ASP A 98 6.771 -1.036 8.615 1.00 0.00 C ATOM 565 C ASP A 98 7.546 -2.279 8.186 1.00 0.00 C ATOM 566 O ASP A 98 6.958 -3.280 7.779 1.00 0.00 O ATOM 567 CB ASP A 98 6.280 -1.197 10.054 1.00 0.00 C ATOM 568 CG ASP A 98 7.418 -1.206 11.056 1.00 0.00 C ATOM 569 OD1 ASP A 98 8.350 -0.390 10.902 1.00 0.00 O ATOM 570 OD2 ASP A 98 7.377 -2.030 11.994 1.00 0.00 O ATOM 0 H ASP A 98 4.729 -0.911 8.153 1.00 0.00 H new ATOM 0 HA ASP A 98 7.439 -0.177 8.562 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.595 -0.384 10.294 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.716 -2.126 10.141 1.00 0.00 H new ATOM 575 N LYS A 99 8.869 -2.206 8.280 1.00 0.00 N ATOM 576 CA LYS A 99 9.726 -3.324 7.903 1.00 0.00 C ATOM 577 C LYS A 99 10.375 -3.951 9.133 1.00 0.00 C ATOM 578 O LYS A 99 10.902 -5.062 9.070 1.00 0.00 O ATOM 579 CB LYS A 99 10.806 -2.858 6.924 1.00 0.00 C ATOM 580 CG LYS A 99 11.715 -1.780 7.490 1.00 0.00 C ATOM 581 CD LYS A 99 13.088 -1.811 6.839 1.00 0.00 C ATOM 582 CE LYS A 99 14.105 -1.017 7.644 1.00 0.00 C ATOM 583 NZ LYS A 99 13.849 0.448 7.570 1.00 0.00 N ATOM 0 H LYS A 99 9.372 -1.384 8.614 1.00 0.00 H new ATOM 0 HA LYS A 99 9.106 -4.078 7.418 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.412 -3.715 6.629 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.327 -2.480 6.020 1.00 0.00 H new ATOM 0 HG2 LYS A 99 11.260 -0.801 7.336 1.00 0.00 H new ATOM 0 HG3 LYS A 99 11.818 -1.918 8.566 1.00 0.00 H new ATOM 0 HD2 LYS A 99 13.424 -2.844 6.744 1.00 0.00 H new ATOM 0 HD3 LYS A 99 13.023 -1.403 5.830 1.00 0.00 H new ATOM 0 HE2 LYS A 99 14.075 -1.339 8.685 1.00 0.00 H new ATOM 0 HE3 LYS A 99 15.108 -1.230 7.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 14.563 0.954 8.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 13.902 0.760 6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 12.902 0.654 7.947 1.00 0.00 H new ATOM 597 N ASP A 100 10.333 -3.232 10.249 1.00 0.00 N ATOM 598 CA ASP A 100 10.916 -3.719 11.494 1.00 0.00 C ATOM 599 C ASP A 100 10.043 -4.806 12.114 1.00 0.00 C ATOM 600 O ASP A 100 10.540 -5.847 12.544 1.00 0.00 O ATOM 601 CB ASP A 100 11.096 -2.567 12.483 1.00 0.00 C ATOM 602 CG ASP A 100 12.444 -1.887 12.342 1.00 0.00 C ATOM 603 OD1 ASP A 100 13.473 -2.557 12.569 1.00 0.00 O ATOM 604 OD2 ASP A 100 12.469 -0.686 12.003 1.00 0.00 O ATOM 0 H ASP A 100 9.902 -2.310 10.317 1.00 0.00 H new ATOM 0 HA ASP A 100 11.892 -4.147 11.266 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.305 -1.833 12.329 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.988 -2.945 13.500 1.00 0.00 H new ATOM 609 N LYS A 101 8.739 -4.557 12.158 1.00 0.00 N ATOM 610 CA LYS A 101 7.795 -5.513 12.724 1.00 0.00 C ATOM 611 C LYS A 101 6.629 -5.757 11.771 1.00 0.00 C ATOM 612 O LYS A 101 6.273 -6.901 11.491 1.00 0.00 O ATOM 613 CB LYS A 101 7.270 -5.007 14.070 1.00 0.00 C ATOM 614 CG LYS A 101 8.348 -4.870 15.131 1.00 0.00 C ATOM 615 CD LYS A 101 8.544 -6.168 15.896 1.00 0.00 C ATOM 616 CE LYS A 101 9.333 -5.945 17.178 1.00 0.00 C ATOM 617 NZ LYS A 101 9.673 -7.229 17.850 1.00 0.00 N ATOM 0 H LYS A 101 8.311 -3.700 11.808 1.00 0.00 H new ATOM 0 HA LYS A 101 8.320 -6.456 12.877 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.792 -4.039 13.923 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.502 -5.691 14.431 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.287 -4.578 14.661 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.078 -4.074 15.825 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.573 -6.601 16.136 1.00 0.00 H new ATOM 0 HD3 LYS A 101 9.067 -6.888 15.266 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.249 -5.400 16.950 1.00 0.00 H new ATOM 0 HE3 LYS A 101 8.752 -5.322 17.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.210 -7.034 18.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 8.798 -7.737 18.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 10.249 -7.814 17.211 1.00 0.00 H new ATOM 631 N GLY A 102 6.040 -4.674 11.274 1.00 0.00 N ATOM 632 CA GLY A 102 4.922 -4.793 10.357 1.00 0.00 C ATOM 633 C GLY A 102 3.585 -4.818 11.071 1.00 0.00 C ATOM 634 O GLY A 102 2.835 -5.789 10.966 1.00 0.00 O ATOM 0 H GLY A 102 6.317 -3.716 11.490 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.940 -3.958 9.657 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.034 -5.704 9.770 1.00 0.00 H new ATOM 638 N VAL A 103 3.287 -3.749 11.803 1.00 0.00 N ATOM 639 CA VAL A 103 2.032 -3.653 12.539 1.00 0.00 C ATOM 640 C VAL A 103 1.227 -2.436 12.097 1.00 0.00 C ATOM 641 O VAL A 103 0.213 -2.095 12.705 1.00 0.00 O ATOM 642 CB VAL A 103 2.276 -3.569 14.057 1.00 0.00 C ATOM 643 CG1 VAL A 103 3.065 -4.777 14.539 1.00 0.00 C ATOM 644 CG2 VAL A 103 2.997 -2.277 14.410 1.00 0.00 C ATOM 0 H VAL A 103 3.897 -2.938 11.902 1.00 0.00 H new ATOM 0 HA VAL A 103 1.467 -4.559 12.319 1.00 0.00 H new ATOM 0 HB VAL A 103 1.310 -3.570 14.563 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.228 -4.700 15.614 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.506 -5.687 14.321 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.027 -4.811 14.028 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.161 -2.234 15.487 1.00 0.00 H new ATOM 0 HG22 VAL A 103 3.957 -2.244 13.895 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.390 -1.426 14.102 1.00 0.00 H new ATOM 654 N PHE A 104 1.687 -1.784 11.034 1.00 0.00 N ATOM 655 CA PHE A 104 1.010 -0.604 10.509 1.00 0.00 C ATOM 656 C PHE A 104 1.577 -0.211 9.148 1.00 0.00 C ATOM 657 O PHE A 104 2.703 -0.572 8.806 1.00 0.00 O ATOM 658 CB PHE A 104 1.147 0.565 11.487 1.00 0.00 C ATOM 659 CG PHE A 104 2.539 1.123 11.563 1.00 0.00 C ATOM 660 CD1 PHE A 104 2.953 2.109 10.682 1.00 0.00 C ATOM 661 CD2 PHE A 104 3.433 0.662 12.516 1.00 0.00 C ATOM 662 CE1 PHE A 104 4.234 2.625 10.750 1.00 0.00 C ATOM 663 CE2 PHE A 104 4.715 1.175 12.589 1.00 0.00 C ATOM 664 CZ PHE A 104 5.116 2.157 11.704 1.00 0.00 C ATOM 0 H PHE A 104 2.526 -2.053 10.519 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.046 -0.846 10.387 1.00 0.00 H new ATOM 0 HB2 PHE A 104 0.462 1.359 11.190 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.842 0.235 12.480 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.267 2.479 9.934 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.125 -0.107 13.209 1.00 0.00 H new ATOM 0 HE1 PHE A 104 4.545 3.393 10.058 1.00 0.00 H new ATOM 0 HE2 PHE A 104 5.402 0.808 13.337 1.00 0.00 H new ATOM 0 HZ PHE A 104 6.117 2.558 11.758 1.00 0.00 H new ATOM 674 N ALA A 105 0.789 0.529 8.376 1.00 0.00 N ATOM 675 CA ALA A 105 1.212 0.972 7.054 1.00 0.00 C ATOM 676 C ALA A 105 0.434 2.208 6.614 1.00 0.00 C ATOM 677 O ALA A 105 -0.783 2.281 6.788 1.00 0.00 O ATOM 678 CB ALA A 105 1.040 -0.151 6.041 1.00 0.00 C ATOM 0 H ALA A 105 -0.147 0.835 8.644 1.00 0.00 H new ATOM 0 HA ALA A 105 2.267 1.239 7.108 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.360 0.194 5.058 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.645 -1.007 6.340 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -0.009 -0.446 5.999 1.00 0.00 H new ATOM 684 N ILE A 106 1.143 3.176 6.044 1.00 0.00 N ATOM 685 CA ILE A 106 0.518 4.408 5.578 1.00 0.00 C ATOM 686 C ILE A 106 0.099 4.294 4.117 1.00 0.00 C ATOM 687 O ILE A 106 0.941 4.255 3.219 1.00 0.00 O ATOM 688 CB ILE A 106 1.463 5.613 5.737 1.00 0.00 C ATOM 689 CG1 ILE A 106 2.034 5.658 7.156 1.00 0.00 C ATOM 690 CG2 ILE A 106 0.730 6.907 5.414 1.00 0.00 C ATOM 691 CD1 ILE A 106 1.057 6.187 8.184 1.00 0.00 C ATOM 0 H ILE A 106 2.151 3.131 5.894 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.366 4.566 6.195 1.00 0.00 H new ATOM 0 HB ILE A 106 2.290 5.502 5.036 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.346 4.654 7.446 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.927 6.283 7.160 1.00 0.00 H new ATOM 0 HG21 ILE A 106 1.411 7.750 5.531 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.368 6.873 4.387 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.114 7.026 6.093 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.529 6.191 9.166 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.764 7.203 7.918 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.174 5.549 8.208 1.00 0.00 H new ATOM 703 N VAL A 107 -1.208 4.241 3.884 1.00 0.00 N ATOM 704 CA VAL A 107 -1.740 4.135 2.530 1.00 0.00 C ATOM 705 C VAL A 107 -2.248 5.483 2.032 1.00 0.00 C ATOM 706 O VAL A 107 -3.082 6.119 2.675 1.00 0.00 O ATOM 707 CB VAL A 107 -2.886 3.108 2.457 1.00 0.00 C ATOM 708 CG1 VAL A 107 -3.620 3.221 1.129 1.00 0.00 C ATOM 709 CG2 VAL A 107 -2.351 1.698 2.660 1.00 0.00 C ATOM 0 H VAL A 107 -1.919 4.270 4.615 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.921 3.801 1.893 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.595 3.323 3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.426 2.488 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.036 4.223 1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.924 3.033 0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.174 0.985 2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.621 1.470 1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.874 1.627 3.637 1.00 0.00 H new ATOM 719 N GLU A 108 -1.740 5.912 0.881 1.00 0.00 N ATOM 720 CA GLU A 108 -2.142 7.186 0.297 1.00 0.00 C ATOM 721 C GLU A 108 -2.980 6.967 -0.960 1.00 0.00 C ATOM 722 O GLU A 108 -2.946 5.895 -1.562 1.00 0.00 O ATOM 723 CB GLU A 108 -0.911 8.031 -0.038 1.00 0.00 C ATOM 724 CG GLU A 108 -1.247 9.440 -0.498 1.00 0.00 C ATOM 725 CD GLU A 108 -0.084 10.399 -0.335 1.00 0.00 C ATOM 726 OE1 GLU A 108 0.688 10.238 0.633 1.00 0.00 O ATOM 727 OE2 GLU A 108 0.054 11.312 -1.177 1.00 0.00 O ATOM 0 H GLU A 108 -1.050 5.396 0.335 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.749 7.717 1.030 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -0.270 8.088 0.841 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -0.338 7.530 -0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.548 9.414 -1.545 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -2.101 9.810 0.070 1.00 0.00 H new ATOM 734 N MET A 109 -3.731 7.992 -1.349 1.00 0.00 N ATOM 735 CA MET A 109 -4.577 7.913 -2.534 1.00 0.00 C ATOM 736 C MET A 109 -4.131 8.920 -3.590 1.00 0.00 C ATOM 737 O MET A 109 -3.267 9.758 -3.335 1.00 0.00 O ATOM 738 CB MET A 109 -6.040 8.162 -2.161 1.00 0.00 C ATOM 739 CG MET A 109 -6.594 7.154 -1.167 1.00 0.00 C ATOM 740 SD MET A 109 -6.291 5.448 -1.667 1.00 0.00 S ATOM 741 CE MET A 109 -7.940 4.938 -2.146 1.00 0.00 C ATOM 0 H MET A 109 -3.771 8.887 -0.861 1.00 0.00 H new ATOM 0 HA MET A 109 -4.481 6.910 -2.951 1.00 0.00 H new ATOM 0 HB2 MET A 109 -6.134 9.163 -1.741 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.646 8.138 -3.066 1.00 0.00 H new ATOM 0 HG2 MET A 109 -6.143 7.328 -0.190 1.00 0.00 H new ATOM 0 HG3 MET A 109 -7.667 7.311 -1.056 1.00 0.00 H new ATOM 0 HE1 MET A 109 -8.099 3.900 -1.854 1.00 0.00 H new ATOM 0 HE2 MET A 109 -8.675 5.571 -1.649 1.00 0.00 H new ATOM 0 HE3 MET A 109 -8.051 5.032 -3.226 1.00 0.00 H new ATOM 751 N GLY A 110 -4.726 8.831 -4.775 1.00 0.00 N ATOM 752 CA GLY A 110 -4.375 9.740 -5.851 1.00 0.00 C ATOM 753 C GLY A 110 -5.076 11.079 -5.730 1.00 0.00 C ATOM 754 O GLY A 110 -4.483 12.123 -5.999 1.00 0.00 O ATOM 0 H GLY A 110 -5.445 8.146 -5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -3.296 9.897 -5.853 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -4.632 9.284 -6.807 1.00 0.00 H new ATOM 758 N ASP A 111 -6.341 11.048 -5.326 1.00 0.00 N ATOM 759 CA ASP A 111 -7.123 12.269 -5.170 1.00 0.00 C ATOM 760 C ASP A 111 -7.877 12.266 -3.844 1.00 0.00 C ATOM 761 O ASP A 111 -7.939 11.247 -3.155 1.00 0.00 O ATOM 762 CB ASP A 111 -8.109 12.419 -6.330 1.00 0.00 C ATOM 763 CG ASP A 111 -7.414 12.712 -7.645 1.00 0.00 C ATOM 764 OD1 ASP A 111 -6.285 13.246 -7.615 1.00 0.00 O ATOM 765 OD2 ASP A 111 -7.999 12.406 -8.705 1.00 0.00 O ATOM 0 H ASP A 111 -6.847 10.191 -5.101 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.435 13.115 -5.175 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -8.693 11.504 -6.427 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -8.810 13.223 -6.106 1.00 0.00 H new ATOM 770 N VAL A 112 -8.447 13.414 -3.490 1.00 0.00 N ATOM 771 CA VAL A 112 -9.196 13.544 -2.246 1.00 0.00 C ATOM 772 C VAL A 112 -10.400 12.609 -2.229 1.00 0.00 C ATOM 773 O VAL A 112 -10.697 11.981 -1.214 1.00 0.00 O ATOM 774 CB VAL A 112 -9.680 14.990 -2.031 1.00 0.00 C ATOM 775 CG1 VAL A 112 -10.673 15.388 -3.113 1.00 0.00 C ATOM 776 CG2 VAL A 112 -10.294 15.146 -0.648 1.00 0.00 C ATOM 0 H VAL A 112 -8.404 14.267 -4.047 1.00 0.00 H new ATOM 0 HA VAL A 112 -8.517 13.272 -1.438 1.00 0.00 H new ATOM 0 HB VAL A 112 -8.820 15.656 -2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -11.004 16.413 -2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -10.194 15.317 -4.090 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -11.533 14.719 -3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.631 16.174 -0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.143 14.470 -0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.549 14.906 0.110 1.00 0.00 H new ATOM 786 N GLY A 113 -11.090 12.522 -3.362 1.00 0.00 N ATOM 787 CA GLY A 113 -12.255 11.661 -3.457 1.00 0.00 C ATOM 788 C GLY A 113 -11.967 10.244 -2.999 1.00 0.00 C ATOM 789 O GLY A 113 -12.737 9.663 -2.235 1.00 0.00 O ATOM 0 H GLY A 113 -10.863 13.032 -4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -13.061 12.078 -2.854 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -12.606 11.642 -4.489 1.00 0.00 H new ATOM 793 N ALA A 114 -10.856 9.686 -3.470 1.00 0.00 N ATOM 794 CA ALA A 114 -10.469 8.330 -3.104 1.00 0.00 C ATOM 795 C ALA A 114 -10.332 8.186 -1.592 1.00 0.00 C ATOM 796 O ALA A 114 -10.990 7.348 -0.976 1.00 0.00 O ATOM 797 CB ALA A 114 -9.166 7.949 -3.792 1.00 0.00 C ATOM 0 H ALA A 114 -10.209 10.153 -4.106 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.255 7.653 -3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -8.889 6.933 -3.509 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -9.296 8.002 -4.873 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -8.378 8.638 -3.487 1.00 0.00 H new ATOM 803 N ARG A 115 -9.472 9.009 -1.000 1.00 0.00 N ATOM 804 CA ARG A 115 -9.247 8.972 0.440 1.00 0.00 C ATOM 805 C ARG A 115 -10.572 9.001 1.198 1.00 0.00 C ATOM 806 O ARG A 115 -10.668 8.498 2.317 1.00 0.00 O ATOM 807 CB ARG A 115 -8.375 10.152 0.872 1.00 0.00 C ATOM 808 CG ARG A 115 -8.340 10.365 2.377 1.00 0.00 C ATOM 809 CD ARG A 115 -9.440 11.310 2.831 1.00 0.00 C ATOM 810 NE ARG A 115 -9.110 12.707 2.558 1.00 0.00 N ATOM 811 CZ ARG A 115 -8.128 13.362 3.166 1.00 0.00 C ATOM 812 NH1 ARG A 115 -7.384 12.751 4.077 1.00 0.00 N ATOM 813 NH2 ARG A 115 -7.889 14.632 2.863 1.00 0.00 N ATOM 0 H ARG A 115 -8.920 9.709 -1.495 1.00 0.00 H new ATOM 0 HA ARG A 115 -8.731 8.042 0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -7.358 9.992 0.512 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -8.744 11.059 0.394 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -8.450 9.406 2.884 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -7.370 10.769 2.666 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -10.371 11.052 2.326 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -9.611 11.180 3.900 1.00 0.00 H new ATOM 0 HE ARG A 115 -9.664 13.206 1.862 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -7.565 11.775 4.313 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -6.630 13.257 4.543 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -8.460 15.105 2.163 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -7.134 15.135 3.330 1.00 0.00 H new ATOM 827 N GLU A 116 -11.589 9.594 0.580 1.00 0.00 N ATOM 828 CA GLU A 116 -12.906 9.689 1.197 1.00 0.00 C ATOM 829 C GLU A 116 -13.670 8.376 1.054 1.00 0.00 C ATOM 830 O GLU A 116 -14.281 7.893 2.007 1.00 0.00 O ATOM 831 CB GLU A 116 -13.708 10.830 0.568 1.00 0.00 C ATOM 832 CG GLU A 116 -13.397 12.193 1.163 1.00 0.00 C ATOM 833 CD GLU A 116 -14.272 13.292 0.592 1.00 0.00 C ATOM 834 OE1 GLU A 116 -15.509 13.118 0.578 1.00 0.00 O ATOM 835 OE2 GLU A 116 -13.721 14.325 0.158 1.00 0.00 O ATOM 0 H GLU A 116 -11.526 10.015 -0.347 1.00 0.00 H new ATOM 0 HA GLU A 116 -12.767 9.895 2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -13.508 10.856 -0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -14.772 10.625 0.688 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -13.530 12.152 2.244 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -12.350 12.435 0.980 1.00 0.00 H new ATOM 842 N ALA A 117 -13.631 7.803 -0.145 1.00 0.00 N ATOM 843 CA ALA A 117 -14.318 6.546 -0.414 1.00 0.00 C ATOM 844 C ALA A 117 -13.931 5.480 0.605 1.00 0.00 C ATOM 845 O ALA A 117 -14.779 4.966 1.334 1.00 0.00 O ATOM 846 CB ALA A 117 -14.010 6.067 -1.825 1.00 0.00 C ATOM 0 H ALA A 117 -13.131 8.190 -0.945 1.00 0.00 H new ATOM 0 HA ALA A 117 -15.390 6.721 -0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -14.530 5.127 -2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -14.343 6.815 -2.544 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -12.936 5.915 -1.931 1.00 0.00 H new ATOM 852 N VAL A 118 -12.644 5.151 0.650 1.00 0.00 N ATOM 853 CA VAL A 118 -12.144 4.146 1.581 1.00 0.00 C ATOM 854 C VAL A 118 -12.632 4.419 2.999 1.00 0.00 C ATOM 855 O VAL A 118 -13.105 3.514 3.689 1.00 0.00 O ATOM 856 CB VAL A 118 -10.604 4.097 1.580 1.00 0.00 C ATOM 857 CG1 VAL A 118 -10.096 3.259 2.744 1.00 0.00 C ATOM 858 CG2 VAL A 118 -10.089 3.553 0.256 1.00 0.00 C ATOM 0 H VAL A 118 -11.929 5.566 0.053 1.00 0.00 H new ATOM 0 HA VAL A 118 -12.531 3.184 1.246 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.225 5.112 1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.006 3.236 2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -10.435 3.697 3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -10.482 2.243 2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -8.999 3.525 0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.475 2.545 0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.423 4.198 -0.557 1.00 0.00 H new ATOM 868 N LEU A 119 -12.515 5.670 3.429 1.00 0.00 N ATOM 869 CA LEU A 119 -12.946 6.063 4.766 1.00 0.00 C ATOM 870 C LEU A 119 -14.449 5.865 4.934 1.00 0.00 C ATOM 871 O LEU A 119 -14.925 5.550 6.025 1.00 0.00 O ATOM 872 CB LEU A 119 -12.579 7.524 5.032 1.00 0.00 C ATOM 873 CG LEU A 119 -11.108 7.802 5.342 1.00 0.00 C ATOM 874 CD1 LEU A 119 -10.879 9.290 5.556 1.00 0.00 C ATOM 875 CD2 LEU A 119 -10.661 7.010 6.562 1.00 0.00 C ATOM 0 H LEU A 119 -12.125 6.430 2.871 1.00 0.00 H new ATOM 0 HA LEU A 119 -12.432 5.428 5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -12.863 8.113 4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -13.179 7.882 5.868 1.00 0.00 H new ATOM 0 HG LEU A 119 -10.510 7.483 4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -9.826 9.468 5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.159 9.835 4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -11.487 9.635 6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.611 7.220 6.768 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -11.264 7.297 7.423 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.787 5.944 6.370 1.00 0.00 H new ATOM 887 N SER A 120 -15.190 6.051 3.847 1.00 0.00 N ATOM 888 CA SER A 120 -16.640 5.894 3.875 1.00 0.00 C ATOM 889 C SER A 120 -17.047 4.517 3.360 1.00 0.00 C ATOM 890 O SER A 120 -17.953 4.394 2.536 1.00 0.00 O ATOM 891 CB SER A 120 -17.308 6.983 3.033 1.00 0.00 C ATOM 892 OG SER A 120 -18.676 7.125 3.376 1.00 0.00 O ATOM 0 H SER A 120 -14.811 6.310 2.936 1.00 0.00 H new ATOM 0 HA SER A 120 -16.971 5.989 4.909 1.00 0.00 H new ATOM 0 HB2 SER A 120 -16.792 7.931 3.183 1.00 0.00 H new ATOM 0 HB3 SER A 120 -17.219 6.735 1.975 1.00 0.00 H new ATOM 0 HG SER A 120 -19.122 6.255 3.310 1.00 0.00 H new ATOM 898 N GLN A 121 -16.371 3.484 3.854 1.00 0.00 N ATOM 899 CA GLN A 121 -16.662 2.115 3.443 1.00 0.00 C ATOM 900 C GLN A 121 -17.397 1.361 4.546 1.00 0.00 C ATOM 901 O GLN A 121 -17.006 1.410 5.713 1.00 0.00 O ATOM 902 CB GLN A 121 -15.368 1.383 3.084 1.00 0.00 C ATOM 903 CG GLN A 121 -15.553 0.307 2.025 1.00 0.00 C ATOM 904 CD GLN A 121 -15.904 -1.043 2.620 1.00 0.00 C ATOM 905 OE1 GLN A 121 -16.905 -1.182 3.324 1.00 0.00 O ATOM 906 NE2 GLN A 121 -15.081 -2.046 2.339 1.00 0.00 N ATOM 0 H GLN A 121 -15.619 3.569 4.538 1.00 0.00 H new ATOM 0 HA GLN A 121 -17.305 2.154 2.564 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -14.636 2.109 2.729 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -14.955 0.928 3.985 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -16.341 0.612 1.336 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -14.637 0.216 1.441 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -14.263 -1.885 1.751 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -15.267 -2.977 2.711 1.00 0.00 H new ATOM 915 N SER A 122 -18.465 0.664 4.170 1.00 0.00 N ATOM 916 CA SER A 122 -19.258 -0.097 5.128 1.00 0.00 C ATOM 917 C SER A 122 -18.358 -0.904 6.058 1.00 0.00 C ATOM 918 O SER A 122 -18.193 -0.563 7.229 1.00 0.00 O ATOM 919 CB SER A 122 -20.222 -1.032 4.395 1.00 0.00 C ATOM 920 OG SER A 122 -19.518 -2.021 3.665 1.00 0.00 O ATOM 0 H SER A 122 -18.801 0.611 3.208 1.00 0.00 H new ATOM 0 HA SER A 122 -19.833 0.608 5.728 1.00 0.00 H new ATOM 0 HB2 SER A 122 -20.886 -1.511 5.114 1.00 0.00 H new ATOM 0 HB3 SER A 122 -20.850 -0.453 3.717 1.00 0.00 H new ATOM 0 HG SER A 122 -20.157 -2.606 3.207 1.00 0.00 H new ATOM 926 N GLN A 123 -17.779 -1.976 5.528 1.00 0.00 N ATOM 927 CA GLN A 123 -16.896 -2.833 6.310 1.00 0.00 C ATOM 928 C GLN A 123 -15.665 -3.230 5.502 1.00 0.00 C ATOM 929 O GLN A 123 -15.781 -3.773 4.402 1.00 0.00 O ATOM 930 CB GLN A 123 -17.643 -4.085 6.772 1.00 0.00 C ATOM 931 CG GLN A 123 -18.706 -3.807 7.822 1.00 0.00 C ATOM 932 CD GLN A 123 -19.761 -4.894 7.888 1.00 0.00 C ATOM 933 OE1 GLN A 123 -19.938 -5.661 6.941 1.00 0.00 O ATOM 934 NE2 GLN A 123 -20.467 -4.967 9.010 1.00 0.00 N ATOM 0 H GLN A 123 -17.905 -2.272 4.560 1.00 0.00 H new ATOM 0 HA GLN A 123 -16.568 -2.271 7.184 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -18.112 -4.557 5.909 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -16.924 -4.799 7.175 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -18.230 -3.708 8.798 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -19.186 -2.853 7.604 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -20.287 -4.311 9.770 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -21.190 -5.679 9.112 1.00 0.00 H new ATOM 943 N HIS A 124 -14.487 -2.956 6.053 1.00 0.00 N ATOM 944 CA HIS A 124 -13.234 -3.285 5.382 1.00 0.00 C ATOM 945 C HIS A 124 -12.823 -4.725 5.676 1.00 0.00 C ATOM 946 O HIS A 124 -12.794 -5.150 6.831 1.00 0.00 O ATOM 947 CB HIS A 124 -12.128 -2.327 5.824 1.00 0.00 C ATOM 948 CG HIS A 124 -12.250 -0.957 5.231 1.00 0.00 C ATOM 949 ND1 HIS A 124 -12.172 -0.713 3.876 1.00 0.00 N ATOM 950 CD2 HIS A 124 -12.449 0.247 5.817 1.00 0.00 C ATOM 951 CE1 HIS A 124 -12.315 0.581 3.655 1.00 0.00 C ATOM 952 NE2 HIS A 124 -12.485 1.186 4.816 1.00 0.00 N ATOM 0 H HIS A 124 -14.374 -2.507 6.962 1.00 0.00 H new ATOM 0 HA HIS A 124 -13.387 -3.181 4.308 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -12.142 -2.246 6.911 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -11.162 -2.749 5.548 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -12.559 0.434 6.875 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -12.296 1.063 2.689 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -12.621 2.188 4.948 1.00 0.00 H new ATOM 960 N SER A 125 -12.507 -5.471 4.622 1.00 0.00 N ATOM 961 CA SER A 125 -12.102 -6.865 4.766 1.00 0.00 C ATOM 962 C SER A 125 -11.223 -7.299 3.597 1.00 0.00 C ATOM 963 O SER A 125 -11.466 -6.922 2.449 1.00 0.00 O ATOM 964 CB SER A 125 -13.332 -7.769 4.857 1.00 0.00 C ATOM 965 OG SER A 125 -13.064 -8.919 5.641 1.00 0.00 O ATOM 0 H SER A 125 -12.524 -5.134 3.659 1.00 0.00 H new ATOM 0 HA SER A 125 -11.524 -6.956 5.686 1.00 0.00 H new ATOM 0 HB2 SER A 125 -14.163 -7.214 5.292 1.00 0.00 H new ATOM 0 HB3 SER A 125 -13.640 -8.071 3.856 1.00 0.00 H new ATOM 0 HG SER A 125 -12.101 -8.981 5.812 1.00 0.00 H new ATOM 971 N LEU A 126 -10.201 -8.093 3.896 1.00 0.00 N ATOM 972 CA LEU A 126 -9.285 -8.580 2.871 1.00 0.00 C ATOM 973 C LEU A 126 -9.377 -10.096 2.733 1.00 0.00 C ATOM 974 O LEU A 126 -8.605 -10.833 3.345 1.00 0.00 O ATOM 975 CB LEU A 126 -7.849 -8.173 3.207 1.00 0.00 C ATOM 976 CG LEU A 126 -6.763 -8.707 2.272 1.00 0.00 C ATOM 977 CD1 LEU A 126 -6.814 -7.989 0.932 1.00 0.00 C ATOM 978 CD2 LEU A 126 -5.389 -8.555 2.908 1.00 0.00 C ATOM 0 H LEU A 126 -9.986 -8.413 4.840 1.00 0.00 H new ATOM 0 HA LEU A 126 -9.571 -8.130 1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -7.793 -7.084 3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.625 -8.508 4.220 1.00 0.00 H new ATOM 0 HG LEU A 126 -6.946 -9.768 2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.034 -8.381 0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -7.788 -8.149 0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -6.656 -6.921 1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.629 -8.940 2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.196 -7.501 3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.357 -9.114 3.843 1.00 0.00 H new ATOM 990 N GLY A 127 -10.326 -10.555 1.923 1.00 0.00 N ATOM 991 CA GLY A 127 -10.501 -11.981 1.718 1.00 0.00 C ATOM 992 C GLY A 127 -10.921 -12.702 2.984 1.00 0.00 C ATOM 993 O GLY A 127 -10.327 -13.712 3.357 1.00 0.00 O ATOM 0 H GLY A 127 -10.977 -9.965 1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -11.252 -12.144 0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -9.568 -12.409 1.352 1.00 0.00 H new ATOM 997 N GLY A 128 -11.948 -12.180 3.648 1.00 0.00 N ATOM 998 CA GLY A 128 -12.428 -12.792 4.873 1.00 0.00 C ATOM 999 C GLY A 128 -11.887 -12.108 6.113 1.00 0.00 C ATOM 1000 O GLY A 128 -12.649 -11.724 7.001 1.00 0.00 O ATOM 0 H GLY A 128 -12.456 -11.344 3.359 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -13.517 -12.759 4.890 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -12.141 -13.843 4.887 1.00 0.00 H new ATOM 1004 N HIS A 129 -10.568 -11.957 6.176 1.00 0.00 N ATOM 1005 CA HIS A 129 -9.926 -11.315 7.318 1.00 0.00 C ATOM 1006 C HIS A 129 -10.341 -9.851 7.423 1.00 0.00 C ATOM 1007 O HIS A 129 -10.456 -9.154 6.414 1.00 0.00 O ATOM 1008 CB HIS A 129 -8.405 -11.419 7.199 1.00 0.00 C ATOM 1009 CG HIS A 129 -7.879 -12.802 7.430 1.00 0.00 C ATOM 1010 ND1 HIS A 129 -7.735 -13.353 8.686 1.00 0.00 N ATOM 1011 CD2 HIS A 129 -7.464 -13.749 6.555 1.00 0.00 C ATOM 1012 CE1 HIS A 129 -7.252 -14.578 8.574 1.00 0.00 C ATOM 1013 NE2 HIS A 129 -7.079 -14.842 7.291 1.00 0.00 N ATOM 0 H HIS A 129 -9.923 -12.270 5.450 1.00 0.00 H new ATOM 0 HA HIS A 129 -10.249 -11.831 8.222 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -8.103 -11.085 6.206 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -7.945 -10.740 7.917 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -7.440 -13.661 5.479 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -7.036 -15.249 9.392 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -6.718 -15.716 6.909 1.00 0.00 H new ATOM 1021 N ARG A 130 -10.566 -9.391 8.649 1.00 0.00 N ATOM 1022 CA ARG A 130 -10.970 -8.010 8.886 1.00 0.00 C ATOM 1023 C ARG A 130 -9.752 -7.114 9.088 1.00 0.00 C ATOM 1024 O ARG A 130 -8.746 -7.535 9.661 1.00 0.00 O ATOM 1025 CB ARG A 130 -11.887 -7.927 10.107 1.00 0.00 C ATOM 1026 CG ARG A 130 -13.150 -8.763 9.979 1.00 0.00 C ATOM 1027 CD ARG A 130 -13.924 -8.807 11.287 1.00 0.00 C ATOM 1028 NE ARG A 130 -13.393 -9.812 12.204 1.00 0.00 N ATOM 1029 CZ ARG A 130 -13.588 -11.117 12.056 1.00 0.00 C ATOM 1030 NH1 ARG A 130 -14.297 -11.574 11.033 1.00 0.00 N ATOM 1031 NH2 ARG A 130 -13.072 -11.970 12.933 1.00 0.00 N ATOM 0 H ARG A 130 -10.475 -9.955 9.494 1.00 0.00 H new ATOM 0 HA ARG A 130 -11.514 -7.661 8.008 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -11.334 -8.252 10.988 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -12.166 -6.886 10.271 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -13.783 -8.350 9.194 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -12.888 -9.777 9.676 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -13.888 -7.827 11.763 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -14.972 -9.022 11.081 1.00 0.00 H new ATOM 0 HE ARG A 130 -12.842 -9.494 13.002 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -14.695 -10.922 10.357 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -14.445 -12.577 10.923 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -12.525 -11.623 13.721 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -13.222 -12.972 12.819 1.00 0.00 H new ATOM 1045 N LEU A 131 -9.849 -5.877 8.615 1.00 0.00 N ATOM 1046 CA LEU A 131 -8.755 -4.920 8.743 1.00 0.00 C ATOM 1047 C LEU A 131 -9.168 -3.734 9.609 1.00 0.00 C ATOM 1048 O LEU A 131 -10.356 -3.460 9.778 1.00 0.00 O ATOM 1049 CB LEU A 131 -8.315 -4.430 7.363 1.00 0.00 C ATOM 1050 CG LEU A 131 -7.832 -5.507 6.391 1.00 0.00 C ATOM 1051 CD1 LEU A 131 -7.694 -4.936 4.988 1.00 0.00 C ATOM 1052 CD2 LEU A 131 -6.511 -6.097 6.861 1.00 0.00 C ATOM 0 H LEU A 131 -10.674 -5.512 8.139 1.00 0.00 H new ATOM 0 HA LEU A 131 -7.918 -5.425 9.226 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -9.151 -3.902 6.903 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -7.514 -3.703 7.496 1.00 0.00 H new ATOM 0 HG LEU A 131 -8.574 -6.305 6.365 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -7.349 -5.717 4.310 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -8.661 -4.563 4.650 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -6.973 -4.119 4.997 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -6.183 -6.862 6.157 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -5.760 -5.309 6.917 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -6.642 -6.544 7.847 1.00 0.00 H new ATOM 1064 N ARG A 132 -8.179 -3.033 10.154 1.00 0.00 N ATOM 1065 CA ARG A 132 -8.439 -1.876 11.001 1.00 0.00 C ATOM 1066 C ARG A 132 -7.884 -0.603 10.368 1.00 0.00 C ATOM 1067 O ARG A 132 -6.701 -0.292 10.508 1.00 0.00 O ATOM 1068 CB ARG A 132 -7.821 -2.081 12.385 1.00 0.00 C ATOM 1069 CG ARG A 132 -8.640 -2.987 13.290 1.00 0.00 C ATOM 1070 CD ARG A 132 -7.771 -3.658 14.342 1.00 0.00 C ATOM 1071 NE ARG A 132 -8.525 -3.981 15.550 1.00 0.00 N ATOM 1072 CZ ARG A 132 -7.959 -4.367 16.688 1.00 0.00 C ATOM 1073 NH1 ARG A 132 -6.640 -4.476 16.773 1.00 0.00 N ATOM 1074 NH2 ARG A 132 -8.713 -4.644 17.744 1.00 0.00 N ATOM 0 H ARG A 132 -7.190 -3.247 10.024 1.00 0.00 H new ATOM 0 HA ARG A 132 -9.519 -1.769 11.105 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -6.823 -2.504 12.269 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -7.702 -1.111 12.868 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -9.421 -2.405 13.779 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -9.139 -3.748 12.690 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -7.341 -4.570 13.929 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -6.940 -3.001 14.598 1.00 0.00 H new ATOM 0 HE ARG A 132 -9.542 -3.906 15.518 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -6.057 -4.263 15.963 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -6.208 -4.773 17.648 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -9.728 -4.561 17.682 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -8.278 -4.940 18.618 1.00 0.00 H new ATOM 1088 N VAL A 133 -8.747 0.130 9.671 1.00 0.00 N ATOM 1089 CA VAL A 133 -8.344 1.369 9.017 1.00 0.00 C ATOM 1090 C VAL A 133 -8.936 2.582 9.726 1.00 0.00 C ATOM 1091 O VAL A 133 -10.057 2.532 10.233 1.00 0.00 O ATOM 1092 CB VAL A 133 -8.776 1.390 7.539 1.00 0.00 C ATOM 1093 CG1 VAL A 133 -8.120 2.551 6.807 1.00 0.00 C ATOM 1094 CG2 VAL A 133 -8.441 0.067 6.867 1.00 0.00 C ATOM 0 H VAL A 133 -9.730 -0.113 9.545 1.00 0.00 H new ATOM 0 HA VAL A 133 -7.256 1.416 9.070 1.00 0.00 H new ATOM 0 HB VAL A 133 -9.856 1.529 7.496 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -8.437 2.549 5.764 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -8.416 3.490 7.275 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -7.036 2.447 6.857 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -8.753 0.100 5.823 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.366 -0.106 6.919 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -8.963 -0.743 7.377 1.00 0.00 H new ATOM 1104 N ARG A 134 -8.176 3.672 9.757 1.00 0.00 N ATOM 1105 CA ARG A 134 -8.625 4.899 10.404 1.00 0.00 C ATOM 1106 C ARG A 134 -7.915 6.115 9.816 1.00 0.00 C ATOM 1107 O ARG A 134 -6.781 6.035 9.345 1.00 0.00 O ATOM 1108 CB ARG A 134 -8.373 4.827 11.911 1.00 0.00 C ATOM 1109 CG ARG A 134 -6.905 4.678 12.277 1.00 0.00 C ATOM 1110 CD ARG A 134 -6.708 4.637 13.784 1.00 0.00 C ATOM 1111 NE ARG A 134 -6.802 3.278 14.311 1.00 0.00 N ATOM 1112 CZ ARG A 134 -6.704 2.982 15.602 1.00 0.00 C ATOM 1113 NH1 ARG A 134 -6.512 3.944 16.494 1.00 0.00 N ATOM 1114 NH2 ARG A 134 -6.800 1.721 16.004 1.00 0.00 N ATOM 0 H ARG A 134 -7.246 3.730 9.341 1.00 0.00 H new ATOM 0 HA ARG A 134 -9.695 5.004 10.226 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -8.766 5.729 12.380 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -8.929 3.985 12.324 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -6.509 3.765 11.832 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -6.338 5.509 11.857 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -5.733 5.056 14.034 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -7.458 5.265 14.265 1.00 0.00 H new ATOM 0 HE ARG A 134 -6.951 2.514 13.651 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -6.439 4.915 16.189 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -6.437 3.713 17.485 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -6.949 0.978 15.321 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -6.725 1.495 16.996 1.00 0.00 H new ATOM 1128 N PRO A 135 -8.598 7.269 9.843 1.00 0.00 N ATOM 1129 CA PRO A 135 -8.053 8.524 9.316 1.00 0.00 C ATOM 1130 C PRO A 135 -6.615 8.763 9.763 1.00 0.00 C ATOM 1131 O PRO A 135 -6.271 8.547 10.925 1.00 0.00 O ATOM 1132 CB PRO A 135 -8.980 9.589 9.907 1.00 0.00 C ATOM 1133 CG PRO A 135 -10.279 8.889 10.112 1.00 0.00 C ATOM 1134 CD PRO A 135 -9.955 7.438 10.389 1.00 0.00 C ATOM 0 HA PRO A 135 -8.017 8.528 8.227 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -8.588 9.978 10.846 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -9.090 10.437 9.231 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -10.828 9.328 10.945 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -10.912 8.982 9.229 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -9.987 7.218 11.456 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -10.667 6.770 9.904 1.00 0.00 H new ATOM 1142 N ARG A 136 -5.778 9.211 8.832 1.00 0.00 N ATOM 1143 CA ARG A 136 -4.376 9.479 9.130 1.00 0.00 C ATOM 1144 C ARG A 136 -4.241 10.326 10.392 1.00 0.00 C ATOM 1145 O ARG A 136 -3.401 10.052 11.247 1.00 0.00 O ATOM 1146 CB ARG A 136 -3.709 10.189 7.951 1.00 0.00 C ATOM 1147 CG ARG A 136 -2.253 10.548 8.201 1.00 0.00 C ATOM 1148 CD ARG A 136 -1.339 9.354 7.975 1.00 0.00 C ATOM 1149 NE ARG A 136 0.055 9.666 8.281 1.00 0.00 N ATOM 1150 CZ ARG A 136 0.888 10.234 7.416 1.00 0.00 C ATOM 1151 NH1 ARG A 136 0.469 10.550 6.198 1.00 0.00 N ATOM 1152 NH2 ARG A 136 2.142 10.486 7.768 1.00 0.00 N ATOM 0 H ARG A 136 -6.047 9.396 7.866 1.00 0.00 H new ATOM 0 HA ARG A 136 -3.877 8.525 9.299 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -3.771 9.549 7.071 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -4.265 11.099 7.724 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -1.959 11.363 7.540 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -2.136 10.909 9.223 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -1.669 8.522 8.597 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.418 9.028 6.938 1.00 0.00 H new ATOM 0 HE ARG A 136 0.408 9.435 9.210 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -0.494 10.357 5.924 1.00 0.00 H new ATOM 0 HH12 ARG A 136 1.110 10.986 5.535 1.00 0.00 H new ATOM 0 HH21 ARG A 136 2.468 10.244 8.704 1.00 0.00 H new ATOM 0 HH22 ARG A 136 2.781 10.922 7.103 1.00 0.00 H new