USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 696 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 15 SER OG : rot -140:sc= 0 USER MOD Set 1.2: A 55 ASN : amide:sc= -0.053 K(o=0.013,f=0.86) USER MOD Set 1.3: A 56 SER OG : rot 164:sc= 0.994 USER MOD Set 1.4: A 87 ASN : amide:sc= -0.342 K(o=0.013,f=1.3) USER MOD Set 1.5: A 89 MET CE :methyl 141:sc= -0.113 (180deg=-0.0495) USER MOD Set 1.6: A 94 TYR OH : rot 180:sc= 0.513 USER MOD Set 1.7: A 97 GLN : amide:sc= -0.986 K(o=0.013,f=1.3) USER MOD Set 2.1: A 34 TYR OH : rot 107:sc= 0.919 USER MOD Set 2.2: A 40 SER OG : rot -36:sc= 1.84 USER MOD Set 2.3: A 53 ASN : amide:sc= -1.12 X(o=1.6,f=1.7) USER MOD Set 3.1: A 10 ASN : amide:sc= -0.137 X(o=0.074,f=0.21) USER MOD Set 3.2: A 62 SER OG : rot -32:sc= 0.212 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.994 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot -80:sc= 0.625 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0321 USER MOD Single : A 31 SER OG : rot 79:sc= 0.575 USER MOD Single : A 33 MET CE :methyl -162:sc= -2.15 (180deg=-2.9) USER MOD Single : A 36 MET CE :methyl -178:sc= -0.184 (180deg=-0.208) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.33) USER MOD Single : A 60 THR OG1 : rot -52:sc= 0.23 USER MOD Single : A 61 THR OG1 : rot 140:sc= -2.42! USER MOD Single : A 66 SER OG : rot -51:sc= 1.22 USER MOD Single : A 75 LYS NZ :NH3+ 173:sc=-0.00811 (180deg=-0.0814) USER MOD Single : A 76 CYS SG : rot -170:sc= -3.08! USER MOD Single : A 90 THR OG1 : rot 148:sc= 1.41 USER MOD ----------------------------------------------------------------- ATOM 122 N PHE A 9 -0.645 -2.812 -22.260 1.00 0.00 N ATOM 123 CA PHE A 9 -0.407 -1.880 -23.309 1.00 0.00 C ATOM 124 C PHE A 9 -1.076 -2.442 -24.509 1.00 0.00 C ATOM 125 O PHE A 9 -0.802 -3.582 -24.906 1.00 0.00 O ATOM 126 CB PHE A 9 1.088 -1.647 -23.551 1.00 0.00 C ATOM 127 CG PHE A 9 1.698 -0.677 -22.585 1.00 0.00 C ATOM 128 CD1 PHE A 9 1.865 -1.002 -21.248 1.00 0.00 C ATOM 129 CD2 PHE A 9 2.081 0.582 -23.018 1.00 0.00 C ATOM 130 CE1 PHE A 9 2.411 -0.095 -20.365 1.00 0.00 C ATOM 131 CE2 PHE A 9 2.626 1.495 -22.138 1.00 0.00 C ATOM 132 CZ PHE A 9 2.790 1.156 -20.809 1.00 0.00 C ATOM 0 HA PHE A 9 -0.806 -0.898 -23.054 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.614 -2.599 -23.481 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.232 -1.278 -24.566 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.564 -1.977 -20.894 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.952 0.852 -24.056 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.542 -0.363 -19.327 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.924 2.472 -22.488 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.214 1.869 -20.118 1.00 0.00 H new ATOM 142 N ASN A 10 -1.960 -1.694 -25.065 1.00 0.00 N ATOM 143 CA ASN A 10 -2.790 -2.181 -26.127 1.00 0.00 C ATOM 144 C ASN A 10 -2.156 -1.860 -27.429 1.00 0.00 C ATOM 145 O ASN A 10 -0.989 -1.519 -27.472 1.00 0.00 O ATOM 146 CB ASN A 10 -4.194 -1.574 -26.021 1.00 0.00 C ATOM 147 CG ASN A 10 -4.962 -2.112 -24.835 1.00 0.00 C ATOM 148 OD1 ASN A 10 -5.706 -3.089 -24.952 1.00 0.00 O ATOM 149 ND2 ASN A 10 -4.751 -1.522 -23.681 1.00 0.00 N ATOM 0 H ASN A 10 -2.135 -0.724 -24.802 1.00 0.00 H new ATOM 0 HA ASN A 10 -2.893 -3.263 -26.050 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.114 -0.490 -25.938 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.748 -1.784 -26.936 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.210 -1.870 -22.839 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.128 -0.716 -23.627 1.00 0.00 H new ATOM 156 N THR A 11 -2.862 -2.035 -28.477 1.00 0.00 N ATOM 157 CA THR A 11 -2.369 -1.682 -29.732 1.00 0.00 C ATOM 158 C THR A 11 -3.523 -1.102 -30.559 1.00 0.00 C ATOM 159 O THR A 11 -4.584 -1.743 -30.752 1.00 0.00 O ATOM 160 CB THR A 11 -1.623 -2.885 -30.389 1.00 0.00 C ATOM 161 OG1 THR A 11 -0.982 -2.512 -31.603 1.00 0.00 O ATOM 162 CG2 THR A 11 -2.529 -4.094 -30.606 1.00 0.00 C ATOM 0 H THR A 11 -3.802 -2.430 -28.480 1.00 0.00 H new ATOM 0 HA THR A 11 -1.611 -0.902 -29.660 1.00 0.00 H new ATOM 0 HB THR A 11 -0.853 -3.184 -29.677 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.524 -3.290 -31.984 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.957 -4.900 -31.066 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.923 -4.430 -29.647 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.355 -3.817 -31.261 1.00 0.00 H new ATOM 170 N TYR A 12 -3.357 0.134 -30.943 1.00 0.00 N ATOM 171 CA TYR A 12 -4.354 0.888 -31.658 1.00 0.00 C ATOM 172 C TYR A 12 -3.876 1.236 -33.036 1.00 0.00 C ATOM 173 O TYR A 12 -2.689 1.236 -33.296 1.00 0.00 O ATOM 174 CB TYR A 12 -4.688 2.181 -30.918 1.00 0.00 C ATOM 175 CG TYR A 12 -5.550 2.035 -29.683 1.00 0.00 C ATOM 176 CD1 TYR A 12 -4.981 1.843 -28.431 1.00 0.00 C ATOM 177 CD2 TYR A 12 -6.939 2.134 -29.765 1.00 0.00 C ATOM 178 CE1 TYR A 12 -5.765 1.743 -27.299 1.00 0.00 C ATOM 179 CE2 TYR A 12 -7.726 2.043 -28.634 1.00 0.00 C ATOM 180 CZ TYR A 12 -7.135 1.846 -27.407 1.00 0.00 C ATOM 181 OH TYR A 12 -7.921 1.756 -26.280 1.00 0.00 O ATOM 0 H TYR A 12 -2.502 0.660 -30.763 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.245 0.264 -31.728 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -3.754 2.663 -30.630 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.193 2.853 -31.612 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.907 1.771 -28.341 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -7.406 2.284 -30.727 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.307 1.585 -26.334 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.800 2.126 -28.712 1.00 0.00 H new ATOM 0 HH TYR A 12 -8.864 1.850 -26.530 1.00 0.00 H new ATOM 191 N VAL A 13 -4.808 1.544 -33.876 1.00 0.00 N ATOM 192 CA VAL A 13 -4.591 1.950 -35.231 1.00 0.00 C ATOM 193 C VAL A 13 -5.285 3.277 -35.477 1.00 0.00 C ATOM 194 O VAL A 13 -6.416 3.495 -35.033 1.00 0.00 O ATOM 195 CB VAL A 13 -5.097 0.870 -36.256 1.00 0.00 C ATOM 196 CG1 VAL A 13 -5.279 1.449 -37.641 1.00 0.00 C ATOM 197 CG2 VAL A 13 -4.095 -0.240 -36.354 1.00 0.00 C ATOM 0 H VAL A 13 -5.796 1.519 -33.625 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.518 2.061 -35.384 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.058 0.507 -35.892 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.629 0.670 -38.318 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.012 2.255 -37.605 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.327 1.840 -38.000 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.448 -0.987 -37.065 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.140 0.161 -36.693 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.967 -0.702 -35.375 1.00 0.00 H new ATOM 207 N VAL A 14 -4.610 4.154 -36.137 1.00 0.00 N ATOM 208 CA VAL A 14 -5.177 5.394 -36.501 1.00 0.00 C ATOM 209 C VAL A 14 -5.281 5.468 -37.992 1.00 0.00 C ATOM 210 O VAL A 14 -4.337 5.176 -38.703 1.00 0.00 O ATOM 211 CB VAL A 14 -4.419 6.611 -35.921 1.00 0.00 C ATOM 212 CG1 VAL A 14 -2.938 6.582 -36.271 1.00 0.00 C ATOM 213 CG2 VAL A 14 -5.069 7.916 -36.377 1.00 0.00 C ATOM 0 H VAL A 14 -3.644 4.025 -36.438 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.173 5.445 -36.061 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.488 6.553 -34.835 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.446 7.455 -35.843 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.486 5.676 -35.866 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.820 6.593 -37.355 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.522 8.761 -35.959 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.047 7.972 -37.465 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.103 7.947 -36.033 1.00 0.00 H new ATOM 223 N SER A 15 -6.423 5.785 -38.435 1.00 0.00 N ATOM 224 CA SER A 15 -6.710 5.890 -39.814 1.00 0.00 C ATOM 225 C SER A 15 -6.880 7.362 -40.170 1.00 0.00 C ATOM 226 O SER A 15 -7.846 7.994 -39.750 1.00 0.00 O ATOM 227 CB SER A 15 -7.972 5.083 -40.087 1.00 0.00 C ATOM 228 OG SER A 15 -7.769 3.717 -39.748 1.00 0.00 O ATOM 0 H SER A 15 -7.220 5.988 -37.832 1.00 0.00 H new ATOM 0 HA SER A 15 -5.903 5.494 -40.431 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.803 5.488 -39.509 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.245 5.167 -41.139 1.00 0.00 H new ATOM 0 HG SER A 15 -8.198 3.146 -40.419 1.00 0.00 H new ATOM 234 N PHE A 16 -5.907 7.917 -40.863 1.00 0.00 N ATOM 235 CA PHE A 16 -5.946 9.316 -41.237 1.00 0.00 C ATOM 236 C PHE A 16 -6.609 9.541 -42.570 1.00 0.00 C ATOM 237 O PHE A 16 -6.413 8.777 -43.517 1.00 0.00 O ATOM 238 CB PHE A 16 -4.549 9.944 -41.262 1.00 0.00 C ATOM 239 CG PHE A 16 -3.981 10.255 -39.917 1.00 0.00 C ATOM 240 CD1 PHE A 16 -4.231 11.479 -39.333 1.00 0.00 C ATOM 241 CD2 PHE A 16 -3.203 9.343 -39.240 1.00 0.00 C ATOM 242 CE1 PHE A 16 -3.719 11.789 -38.101 1.00 0.00 C ATOM 243 CE2 PHE A 16 -2.685 9.652 -38.001 1.00 0.00 C ATOM 244 CZ PHE A 16 -2.945 10.878 -37.431 1.00 0.00 C ATOM 0 H PHE A 16 -5.076 7.418 -41.180 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.543 9.803 -40.466 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.870 9.267 -41.780 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.589 10.864 -41.846 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.839 12.203 -39.854 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.997 8.380 -39.683 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.925 12.752 -37.657 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.075 8.932 -37.477 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.540 11.121 -36.460 1.00 0.00 H new ATOM 254 N ASP A 17 -7.386 10.585 -42.631 1.00 0.00 N ATOM 255 CA ASP A 17 -8.022 11.047 -43.846 1.00 0.00 C ATOM 256 C ASP A 17 -7.718 12.509 -43.997 1.00 0.00 C ATOM 257 O ASP A 17 -7.861 13.282 -43.040 1.00 0.00 O ATOM 258 CB ASP A 17 -9.549 10.833 -43.849 1.00 0.00 C ATOM 259 CG ASP A 17 -9.973 9.387 -43.960 1.00 0.00 C ATOM 260 OD1 ASP A 17 -10.074 8.852 -45.104 1.00 0.00 O ATOM 261 OD2 ASP A 17 -10.225 8.749 -42.933 1.00 0.00 O ATOM 0 H ASP A 17 -7.605 11.159 -41.817 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.629 10.464 -44.679 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.965 11.252 -42.933 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.981 11.391 -44.680 1.00 0.00 H new ATOM 266 N TYR A 18 -7.259 12.886 -45.156 1.00 0.00 N ATOM 267 CA TYR A 18 -6.892 14.252 -45.442 1.00 0.00 C ATOM 268 C TYR A 18 -6.816 14.416 -46.948 1.00 0.00 C ATOM 269 O TYR A 18 -6.417 13.474 -47.647 1.00 0.00 O ATOM 270 CB TYR A 18 -5.515 14.613 -44.784 1.00 0.00 C ATOM 271 CG TYR A 18 -4.345 13.763 -45.268 1.00 0.00 C ATOM 272 CD1 TYR A 18 -4.065 12.532 -44.684 1.00 0.00 C ATOM 273 CD2 TYR A 18 -3.551 14.179 -46.332 1.00 0.00 C ATOM 274 CE1 TYR A 18 -3.029 11.744 -45.141 1.00 0.00 C ATOM 275 CE2 TYR A 18 -2.524 13.394 -46.803 1.00 0.00 C ATOM 276 CZ TYR A 18 -2.265 12.176 -46.208 1.00 0.00 C ATOM 277 OH TYR A 18 -1.247 11.379 -46.694 1.00 0.00 O ATOM 0 H TYR A 18 -7.126 12.249 -45.941 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.640 14.927 -45.026 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.294 15.661 -44.984 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.603 14.506 -43.703 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.669 12.187 -43.858 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.744 15.135 -46.796 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.817 10.796 -44.668 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.923 13.730 -47.635 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.455 11.476 -46.125 1.00 0.00 H new ATOM 287 N PRO A 19 -7.236 15.562 -47.485 1.00 0.00 N ATOM 288 CA PRO A 19 -7.129 15.830 -48.909 1.00 0.00 C ATOM 289 C PRO A 19 -5.669 15.985 -49.355 1.00 0.00 C ATOM 290 O PRO A 19 -4.793 16.402 -48.573 1.00 0.00 O ATOM 291 CB PRO A 19 -7.896 17.131 -49.113 1.00 0.00 C ATOM 292 CG PRO A 19 -7.997 17.761 -47.770 1.00 0.00 C ATOM 293 CD PRO A 19 -7.899 16.657 -46.756 1.00 0.00 C ATOM 0 HA PRO A 19 -7.529 15.008 -49.502 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.376 17.785 -49.813 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.885 16.940 -49.530 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.199 18.489 -47.625 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.940 18.297 -47.666 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.320 16.965 -45.885 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.883 16.358 -46.395 1.00 0.00 H new ATOM 301 N SER A 20 -5.428 15.698 -50.617 1.00 0.00 N ATOM 302 CA SER A 20 -4.108 15.697 -51.223 1.00 0.00 C ATOM 303 C SER A 20 -3.473 17.103 -51.257 1.00 0.00 C ATOM 304 O SER A 20 -2.282 17.250 -51.521 1.00 0.00 O ATOM 305 CB SER A 20 -4.236 15.136 -52.633 1.00 0.00 C ATOM 306 OG SER A 20 -4.942 13.895 -52.608 1.00 0.00 O ATOM 0 H SER A 20 -6.169 15.450 -51.273 1.00 0.00 H new ATOM 0 HA SER A 20 -3.446 15.078 -50.618 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.761 15.848 -53.269 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.246 14.991 -53.066 1.00 0.00 H new ATOM 0 HG SER A 20 -5.020 13.544 -53.520 1.00 0.00 H new ATOM 312 N SER A 21 -4.261 18.119 -50.972 1.00 0.00 N ATOM 313 CA SER A 21 -3.779 19.478 -50.960 1.00 0.00 C ATOM 314 C SER A 21 -2.868 19.740 -49.743 1.00 0.00 C ATOM 315 O SER A 21 -2.145 20.732 -49.704 1.00 0.00 O ATOM 316 CB SER A 21 -4.964 20.414 -50.967 1.00 0.00 C ATOM 317 OG SER A 21 -5.869 20.035 -51.999 1.00 0.00 O ATOM 0 H SER A 21 -5.250 18.023 -50.743 1.00 0.00 H new ATOM 0 HA SER A 21 -3.173 19.653 -51.849 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.467 20.386 -50.001 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.629 21.439 -51.123 1.00 0.00 H new ATOM 0 HG SER A 21 -6.638 20.643 -52.000 1.00 0.00 H new ATOM 323 N TYR A 22 -2.902 18.841 -48.762 1.00 0.00 N ATOM 324 CA TYR A 22 -2.041 18.965 -47.588 1.00 0.00 C ATOM 325 C TYR A 22 -1.029 17.849 -47.561 1.00 0.00 C ATOM 326 O TYR A 22 -0.478 17.542 -46.509 1.00 0.00 O ATOM 327 CB TYR A 22 -2.851 18.905 -46.304 1.00 0.00 C ATOM 328 CG TYR A 22 -3.927 19.930 -46.183 1.00 0.00 C ATOM 329 CD1 TYR A 22 -3.632 21.255 -45.929 1.00 0.00 C ATOM 330 CD2 TYR A 22 -5.242 19.568 -46.335 1.00 0.00 C ATOM 331 CE1 TYR A 22 -4.634 22.194 -45.829 1.00 0.00 C ATOM 332 CE2 TYR A 22 -6.249 20.493 -46.242 1.00 0.00 C ATOM 333 CZ TYR A 22 -5.941 21.806 -45.989 1.00 0.00 C ATOM 334 OH TYR A 22 -6.948 22.739 -45.897 1.00 0.00 O ATOM 0 H TYR A 22 -3.512 18.024 -48.756 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.538 19.930 -47.654 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.303 17.916 -46.224 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.171 19.014 -45.459 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.603 21.558 -45.807 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -5.488 18.535 -46.532 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -4.394 23.227 -45.626 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -7.278 20.190 -46.367 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.814 22.301 -46.036 1.00 0.00 H new ATOM 344 N SER A 23 -0.740 17.295 -48.710 1.00 0.00 N ATOM 345 CA SER A 23 0.178 16.186 -48.817 1.00 0.00 C ATOM 346 C SER A 23 1.556 16.595 -48.286 1.00 0.00 C ATOM 347 O SER A 23 2.080 15.963 -47.378 1.00 0.00 O ATOM 348 CB SER A 23 0.261 15.711 -50.276 1.00 0.00 C ATOM 349 OG SER A 23 0.974 14.499 -50.389 1.00 0.00 O ATOM 0 H SER A 23 -1.134 17.599 -49.600 1.00 0.00 H new ATOM 0 HA SER A 23 -0.185 15.355 -48.212 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.745 15.580 -50.674 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.746 16.477 -50.881 1.00 0.00 H new ATOM 0 HG SER A 23 1.006 14.225 -51.329 1.00 0.00 H new ATOM 355 N SER A 24 2.059 17.733 -48.737 1.00 0.00 N ATOM 356 CA SER A 24 3.391 18.174 -48.358 1.00 0.00 C ATOM 357 C SER A 24 3.411 18.802 -46.953 1.00 0.00 C ATOM 358 O SER A 24 4.465 19.170 -46.420 1.00 0.00 O ATOM 359 CB SER A 24 3.945 19.112 -49.426 1.00 0.00 C ATOM 360 OG SER A 24 2.974 20.079 -49.797 1.00 0.00 O ATOM 0 H SER A 24 1.565 18.367 -49.365 1.00 0.00 H new ATOM 0 HA SER A 24 4.045 17.304 -48.300 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.838 19.612 -49.051 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.246 18.537 -50.302 1.00 0.00 H new ATOM 0 HG SER A 24 3.348 20.672 -50.481 1.00 0.00 H new ATOM 366 N VAL A 25 2.245 18.897 -46.361 1.00 0.00 N ATOM 367 CA VAL A 25 2.084 19.413 -45.021 1.00 0.00 C ATOM 368 C VAL A 25 2.064 18.265 -44.038 1.00 0.00 C ATOM 369 O VAL A 25 2.702 18.301 -42.983 1.00 0.00 O ATOM 370 CB VAL A 25 0.764 20.207 -44.888 1.00 0.00 C ATOM 371 CG1 VAL A 25 0.468 20.518 -43.439 1.00 0.00 C ATOM 372 CG2 VAL A 25 0.826 21.478 -45.697 1.00 0.00 C ATOM 0 H VAL A 25 1.369 18.615 -46.801 1.00 0.00 H new ATOM 0 HA VAL A 25 2.920 20.080 -44.810 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.045 19.588 -45.277 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.465 21.077 -43.370 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.376 19.588 -42.879 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.280 21.114 -43.022 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.112 22.023 -45.591 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.648 22.097 -45.339 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.987 21.233 -46.747 1.00 0.00 H new ATOM 382 N PHE A 26 1.395 17.222 -44.424 1.00 0.00 N ATOM 383 CA PHE A 26 1.182 16.087 -43.585 1.00 0.00 C ATOM 384 C PHE A 26 2.471 15.315 -43.342 1.00 0.00 C ATOM 385 O PHE A 26 2.609 14.606 -42.344 1.00 0.00 O ATOM 386 CB PHE A 26 0.096 15.211 -44.196 1.00 0.00 C ATOM 387 CG PHE A 26 0.162 13.788 -43.750 1.00 0.00 C ATOM 388 CD1 PHE A 26 -0.330 13.417 -42.513 1.00 0.00 C ATOM 389 CD2 PHE A 26 0.783 12.831 -44.542 1.00 0.00 C ATOM 390 CE1 PHE A 26 -0.214 12.118 -42.081 1.00 0.00 C ATOM 391 CE2 PHE A 26 0.913 11.537 -44.107 1.00 0.00 C ATOM 392 CZ PHE A 26 0.413 11.178 -42.880 1.00 0.00 C ATOM 0 H PHE A 26 0.974 17.136 -45.349 1.00 0.00 H new ATOM 0 HA PHE A 26 0.847 16.426 -42.605 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.880 15.621 -43.936 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.178 15.248 -45.282 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.808 14.152 -41.883 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.168 13.109 -45.512 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.612 11.831 -41.119 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.407 10.803 -44.727 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.509 10.158 -42.537 1.00 0.00 H new ATOM 402 N LEU A 27 3.431 15.497 -44.214 1.00 0.00 N ATOM 403 CA LEU A 27 4.709 14.808 -44.099 1.00 0.00 C ATOM 404 C LEU A 27 5.419 15.234 -42.808 1.00 0.00 C ATOM 405 O LEU A 27 6.315 14.564 -42.332 1.00 0.00 O ATOM 406 CB LEU A 27 5.604 15.130 -45.281 1.00 0.00 C ATOM 407 CG LEU A 27 4.953 15.114 -46.660 1.00 0.00 C ATOM 408 CD1 LEU A 27 5.967 15.429 -47.732 1.00 0.00 C ATOM 409 CD2 LEU A 27 4.228 13.800 -46.934 1.00 0.00 C ATOM 0 H LEU A 27 3.359 16.119 -45.019 1.00 0.00 H new ATOM 0 HA LEU A 27 4.514 13.736 -44.081 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.036 16.118 -45.121 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.429 14.418 -45.286 1.00 0.00 H new ATOM 0 HG LEU A 27 4.194 15.896 -46.677 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.482 15.412 -48.708 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.390 16.418 -47.554 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.763 14.685 -47.710 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.779 13.832 -47.927 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.939 12.975 -46.884 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.447 13.653 -46.188 1.00 0.00 H new ATOM 421 N ARG A 28 4.985 16.347 -42.253 1.00 0.00 N ATOM 422 CA ARG A 28 5.524 16.840 -41.008 1.00 0.00 C ATOM 423 C ARG A 28 4.882 16.045 -39.885 1.00 0.00 C ATOM 424 O ARG A 28 5.553 15.451 -39.059 1.00 0.00 O ATOM 425 CB ARG A 28 5.194 18.331 -40.846 1.00 0.00 C ATOM 426 CG ARG A 28 5.559 19.182 -42.057 1.00 0.00 C ATOM 427 CD ARG A 28 7.018 19.041 -42.421 1.00 0.00 C ATOM 428 NE ARG A 28 7.886 19.529 -41.351 1.00 0.00 N ATOM 429 CZ ARG A 28 9.219 19.521 -41.364 1.00 0.00 C ATOM 430 NH1 ARG A 28 9.887 19.054 -42.422 1.00 0.00 N ATOM 431 NH2 ARG A 28 9.881 19.977 -40.315 1.00 0.00 N ATOM 0 H ARG A 28 4.251 16.932 -42.653 1.00 0.00 H new ATOM 0 HA ARG A 28 6.608 16.727 -40.989 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.127 18.437 -40.648 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.720 18.716 -39.972 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.942 18.889 -42.907 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.336 20.228 -41.847 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.244 17.994 -42.625 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.221 19.596 -43.337 1.00 0.00 H new ATOM 0 HE ARG A 28 7.432 19.909 -40.521 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.377 18.699 -43.231 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.907 19.053 -42.421 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.372 20.331 -39.505 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.901 19.975 -40.315 1.00 0.00 H new ATOM 445 N LEU A 29 3.560 15.964 -39.955 1.00 0.00 N ATOM 446 CA LEU A 29 2.717 15.268 -38.982 1.00 0.00 C ATOM 447 C LEU A 29 3.092 13.781 -38.924 1.00 0.00 C ATOM 448 O LEU A 29 3.031 13.158 -37.864 1.00 0.00 O ATOM 449 CB LEU A 29 1.226 15.478 -39.400 1.00 0.00 C ATOM 450 CG LEU A 29 0.072 15.068 -38.429 1.00 0.00 C ATOM 451 CD1 LEU A 29 -0.194 13.586 -38.441 1.00 0.00 C ATOM 452 CD2 LEU A 29 0.346 15.535 -37.006 1.00 0.00 C ATOM 0 H LEU A 29 3.025 16.392 -40.711 1.00 0.00 H new ATOM 0 HA LEU A 29 2.867 15.670 -37.980 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.099 16.537 -39.624 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.072 14.935 -40.332 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.823 15.569 -38.798 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.004 13.356 -37.749 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.476 13.275 -39.447 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.706 13.052 -38.136 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.477 15.232 -36.359 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.273 15.087 -36.648 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.439 16.621 -36.991 1.00 0.00 H new ATOM 464 N ARG A 30 3.535 13.230 -40.056 1.00 0.00 N ATOM 465 CA ARG A 30 3.902 11.819 -40.105 1.00 0.00 C ATOM 466 C ARG A 30 5.170 11.588 -39.301 1.00 0.00 C ATOM 467 O ARG A 30 5.321 10.583 -38.615 1.00 0.00 O ATOM 468 CB ARG A 30 4.055 11.315 -41.551 1.00 0.00 C ATOM 469 CG ARG A 30 5.394 11.602 -42.212 1.00 0.00 C ATOM 470 CD ARG A 30 5.453 11.070 -43.629 1.00 0.00 C ATOM 471 NE ARG A 30 6.801 11.180 -44.200 1.00 0.00 N ATOM 472 CZ ARG A 30 7.686 10.170 -44.310 1.00 0.00 C ATOM 473 NH1 ARG A 30 7.407 8.958 -43.824 1.00 0.00 N ATOM 474 NH2 ARG A 30 8.844 10.379 -44.898 1.00 0.00 N ATOM 0 H ARG A 30 3.646 13.732 -40.937 1.00 0.00 H new ATOM 0 HA ARG A 30 3.093 11.241 -39.658 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.890 10.238 -41.560 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.268 11.763 -42.157 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.571 12.678 -42.221 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.193 11.153 -41.622 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.139 10.026 -43.638 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.749 11.620 -44.253 1.00 0.00 H new ATOM 0 HE ARG A 30 7.091 12.096 -44.541 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.514 8.787 -43.362 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.087 8.203 -43.915 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.069 11.303 -45.268 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.517 9.618 -44.984 1.00 0.00 H new ATOM 488 N SER A 31 6.044 12.553 -39.352 1.00 0.00 N ATOM 489 CA SER A 31 7.283 12.506 -38.618 1.00 0.00 C ATOM 490 C SER A 31 7.010 12.634 -37.122 1.00 0.00 C ATOM 491 O SER A 31 7.733 12.070 -36.296 1.00 0.00 O ATOM 492 CB SER A 31 8.209 13.604 -39.100 1.00 0.00 C ATOM 493 OG SER A 31 8.368 13.534 -40.513 1.00 0.00 O ATOM 0 H SER A 31 5.919 13.400 -39.906 1.00 0.00 H new ATOM 0 HA SER A 31 7.771 11.547 -38.792 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.806 14.577 -38.821 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.180 13.510 -38.613 1.00 0.00 H new ATOM 0 HG SER A 31 7.583 13.924 -40.950 1.00 0.00 H new ATOM 499 N LEU A 32 5.929 13.332 -36.787 1.00 0.00 N ATOM 500 CA LEU A 32 5.508 13.495 -35.398 1.00 0.00 C ATOM 501 C LEU A 32 5.052 12.168 -34.815 1.00 0.00 C ATOM 502 O LEU A 32 5.277 11.880 -33.640 1.00 0.00 O ATOM 503 CB LEU A 32 4.383 14.537 -35.257 1.00 0.00 C ATOM 504 CG LEU A 32 4.780 16.011 -35.030 1.00 0.00 C ATOM 505 CD1 LEU A 32 5.553 16.158 -33.738 1.00 0.00 C ATOM 506 CD2 LEU A 32 5.583 16.579 -36.183 1.00 0.00 C ATOM 0 H LEU A 32 5.324 13.797 -37.464 1.00 0.00 H new ATOM 0 HA LEU A 32 6.374 13.855 -34.843 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.772 14.492 -36.158 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.748 14.231 -34.426 1.00 0.00 H new ATOM 0 HG LEU A 32 3.854 16.582 -34.966 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.825 17.204 -33.594 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.935 15.825 -32.904 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.457 15.551 -33.784 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.837 17.618 -35.973 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.498 16.000 -36.309 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.993 16.528 -37.098 1.00 0.00 H new ATOM 518 N MET A 33 4.431 11.360 -35.649 1.00 0.00 N ATOM 519 CA MET A 33 3.930 10.055 -35.251 1.00 0.00 C ATOM 520 C MET A 33 5.065 9.180 -34.754 1.00 0.00 C ATOM 521 O MET A 33 5.026 8.653 -33.634 1.00 0.00 O ATOM 522 CB MET A 33 3.299 9.351 -36.432 1.00 0.00 C ATOM 523 CG MET A 33 2.245 10.128 -37.141 1.00 0.00 C ATOM 524 SD MET A 33 1.601 9.196 -38.510 1.00 0.00 S ATOM 525 CE MET A 33 0.454 10.354 -39.189 1.00 0.00 C ATOM 0 H MET A 33 4.257 11.589 -36.628 1.00 0.00 H new ATOM 0 HA MET A 33 3.195 10.212 -34.461 1.00 0.00 H new ATOM 0 HB2 MET A 33 4.083 9.097 -37.145 1.00 0.00 H new ATOM 0 HB3 MET A 33 2.866 8.412 -36.087 1.00 0.00 H new ATOM 0 HG2 MET A 33 1.439 10.374 -36.450 1.00 0.00 H new ATOM 0 HG3 MET A 33 2.658 11.071 -37.498 1.00 0.00 H new ATOM 0 HE1 MET A 33 -0.250 9.832 -39.837 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.090 10.843 -38.381 1.00 0.00 H new ATOM 0 HE3 MET A 33 0.993 11.103 -39.769 1.00 0.00 H new ATOM 535 N TYR A 34 6.086 9.054 -35.586 1.00 0.00 N ATOM 536 CA TYR A 34 7.238 8.212 -35.290 1.00 0.00 C ATOM 537 C TYR A 34 8.123 8.843 -34.249 1.00 0.00 C ATOM 538 O TYR A 34 8.971 8.185 -33.659 1.00 0.00 O ATOM 539 CB TYR A 34 8.030 7.935 -36.545 1.00 0.00 C ATOM 540 CG TYR A 34 7.233 7.223 -37.599 1.00 0.00 C ATOM 541 CD1 TYR A 34 6.835 5.909 -37.418 1.00 0.00 C ATOM 542 CD2 TYR A 34 6.887 7.856 -38.781 1.00 0.00 C ATOM 543 CE1 TYR A 34 6.124 5.253 -38.381 1.00 0.00 C ATOM 544 CE2 TYR A 34 6.163 7.201 -39.754 1.00 0.00 C ATOM 545 CZ TYR A 34 5.787 5.897 -39.548 1.00 0.00 C ATOM 546 OH TYR A 34 5.088 5.213 -40.526 1.00 0.00 O ATOM 0 H TYR A 34 6.141 9.531 -36.486 1.00 0.00 H new ATOM 0 HA TYR A 34 6.864 7.268 -34.892 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.398 8.877 -36.951 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.904 7.335 -36.291 1.00 0.00 H new ATOM 0 HD1 TYR A 34 7.091 5.396 -36.502 1.00 0.00 H new ATOM 0 HD2 TYR A 34 7.189 8.880 -38.943 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.826 4.227 -38.226 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.894 7.708 -40.669 1.00 0.00 H new ATOM 0 HH TYR A 34 4.161 5.531 -40.549 1.00 0.00 H new ATOM 556 N ASP A 35 7.953 10.122 -34.068 1.00 0.00 N ATOM 557 CA ASP A 35 8.644 10.856 -33.025 1.00 0.00 C ATOM 558 C ASP A 35 8.119 10.403 -31.674 1.00 0.00 C ATOM 559 O ASP A 35 8.860 10.305 -30.694 1.00 0.00 O ATOM 560 CB ASP A 35 8.418 12.357 -33.203 1.00 0.00 C ATOM 561 CG ASP A 35 9.111 13.189 -32.166 1.00 0.00 C ATOM 562 OD1 ASP A 35 10.329 13.402 -32.286 1.00 0.00 O ATOM 563 OD2 ASP A 35 8.457 13.662 -31.217 1.00 0.00 O ATOM 0 H ASP A 35 7.330 10.695 -34.638 1.00 0.00 H new ATOM 0 HA ASP A 35 9.715 10.660 -33.085 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.768 12.655 -34.191 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.348 12.563 -33.168 1.00 0.00 H new ATOM 568 N MET A 36 6.835 10.110 -31.641 1.00 0.00 N ATOM 569 CA MET A 36 6.179 9.624 -30.450 1.00 0.00 C ATOM 570 C MET A 36 6.260 8.089 -30.352 1.00 0.00 C ATOM 571 O MET A 36 7.353 7.526 -30.269 1.00 0.00 O ATOM 572 CB MET A 36 4.726 10.134 -30.362 1.00 0.00 C ATOM 573 CG MET A 36 4.607 11.626 -30.059 1.00 0.00 C ATOM 574 SD MET A 36 2.901 12.233 -30.107 1.00 0.00 S ATOM 575 CE MET A 36 2.574 12.230 -31.875 1.00 0.00 C ATOM 0 H MET A 36 6.216 10.204 -32.446 1.00 0.00 H new ATOM 0 HA MET A 36 6.711 10.027 -29.588 1.00 0.00 H new ATOM 0 HB2 MET A 36 4.221 9.924 -31.305 1.00 0.00 H new ATOM 0 HB3 MET A 36 4.202 9.574 -29.588 1.00 0.00 H new ATOM 0 HG2 MET A 36 5.028 11.824 -29.073 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.205 12.185 -30.779 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.571 12.614 -32.060 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.304 12.862 -32.381 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.649 11.212 -32.257 1.00 0.00 H new ATOM 585 N ASN A 37 5.123 7.416 -30.374 1.00 0.00 N ATOM 586 CA ASN A 37 5.095 5.954 -30.227 1.00 0.00 C ATOM 587 C ASN A 37 4.465 5.235 -31.401 1.00 0.00 C ATOM 588 O ASN A 37 4.361 4.020 -31.393 1.00 0.00 O ATOM 589 CB ASN A 37 4.391 5.545 -28.932 1.00 0.00 C ATOM 590 CG ASN A 37 5.338 5.358 -27.764 1.00 0.00 C ATOM 591 OD1 ASN A 37 5.804 4.252 -27.504 1.00 0.00 O ATOM 592 ND2 ASN A 37 5.642 6.411 -27.067 1.00 0.00 N ATOM 0 H ASN A 37 4.206 7.847 -30.491 1.00 0.00 H new ATOM 0 HA ASN A 37 6.140 5.646 -30.192 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.653 6.304 -28.673 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.847 4.616 -29.101 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.284 6.333 -26.279 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.238 7.316 -27.308 1.00 0.00 H new ATOM 599 N PHE A 38 4.026 5.959 -32.396 1.00 0.00 N ATOM 600 CA PHE A 38 3.384 5.330 -33.554 1.00 0.00 C ATOM 601 C PHE A 38 4.397 4.569 -34.410 1.00 0.00 C ATOM 602 O PHE A 38 5.581 4.897 -34.423 1.00 0.00 O ATOM 603 CB PHE A 38 2.673 6.360 -34.402 1.00 0.00 C ATOM 604 CG PHE A 38 1.616 7.094 -33.664 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.932 8.216 -32.922 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.311 6.662 -33.698 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.976 8.891 -32.231 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.658 7.337 -33.002 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.315 8.456 -32.267 1.00 0.00 C ATOM 0 H PHE A 38 4.093 6.976 -32.443 1.00 0.00 H new ATOM 0 HA PHE A 38 2.653 4.619 -33.170 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.403 7.074 -34.784 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.228 5.866 -35.266 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.955 8.562 -32.891 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.049 5.788 -34.275 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.238 9.767 -31.657 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.683 6.997 -33.028 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.076 8.990 -31.717 1.00 0.00 H new ATOM 619 N SER A 39 3.936 3.557 -35.104 1.00 0.00 N ATOM 620 CA SER A 39 4.801 2.721 -35.915 1.00 0.00 C ATOM 621 C SER A 39 4.246 2.490 -37.328 1.00 0.00 C ATOM 622 O SER A 39 3.075 2.781 -37.606 1.00 0.00 O ATOM 623 CB SER A 39 4.984 1.398 -35.223 1.00 0.00 C ATOM 624 OG SER A 39 5.519 1.587 -33.918 1.00 0.00 O ATOM 0 H SER A 39 2.953 3.286 -35.126 1.00 0.00 H new ATOM 0 HA SER A 39 5.754 3.238 -36.028 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.027 0.879 -35.158 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.651 0.765 -35.808 1.00 0.00 H new ATOM 0 HG SER A 39 5.630 0.717 -33.481 1.00 0.00 H new ATOM 630 N SER A 40 5.099 1.948 -38.202 1.00 0.00 N ATOM 631 CA SER A 40 4.751 1.660 -39.585 1.00 0.00 C ATOM 632 C SER A 40 4.241 0.240 -39.734 1.00 0.00 C ATOM 633 O SER A 40 3.541 -0.076 -40.704 1.00 0.00 O ATOM 634 CB SER A 40 5.988 1.767 -40.454 1.00 0.00 C ATOM 635 OG SER A 40 6.680 2.971 -40.248 1.00 0.00 O ATOM 0 H SER A 40 6.058 1.697 -37.961 1.00 0.00 H new ATOM 0 HA SER A 40 3.983 2.374 -39.883 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.651 0.928 -40.243 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.701 1.690 -41.503 1.00 0.00 H new ATOM 0 HG SER A 40 6.039 3.692 -40.077 1.00 0.00 H new ATOM 641 N ILE A 41 4.654 -0.613 -38.823 1.00 0.00 N ATOM 642 CA ILE A 41 4.323 -2.019 -38.847 1.00 0.00 C ATOM 643 C ILE A 41 3.641 -2.416 -37.545 1.00 0.00 C ATOM 644 O ILE A 41 3.926 -1.842 -36.485 1.00 0.00 O ATOM 645 CB ILE A 41 5.623 -2.920 -39.068 1.00 0.00 C ATOM 646 CG1 ILE A 41 6.070 -3.015 -40.538 1.00 0.00 C ATOM 647 CG2 ILE A 41 5.518 -4.308 -38.465 1.00 0.00 C ATOM 648 CD1 ILE A 41 6.606 -1.747 -41.125 1.00 0.00 C ATOM 0 H ILE A 41 5.239 -0.344 -38.032 1.00 0.00 H new ATOM 0 HA ILE A 41 3.644 -2.188 -39.683 1.00 0.00 H new ATOM 0 HB ILE A 41 6.397 -2.381 -38.521 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.836 -3.786 -40.619 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.222 -3.344 -41.138 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.439 -4.859 -38.657 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.361 -4.227 -37.389 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.678 -4.838 -38.915 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.893 -1.919 -42.162 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.838 -0.974 -41.084 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.478 -1.423 -40.557 1.00 0.00 H new ATOM 660 N VAL A 42 2.733 -3.350 -37.643 1.00 0.00 N ATOM 661 CA VAL A 42 2.104 -3.962 -36.504 1.00 0.00 C ATOM 662 C VAL A 42 1.711 -5.376 -36.926 1.00 0.00 C ATOM 663 O VAL A 42 1.419 -5.615 -38.109 1.00 0.00 O ATOM 664 CB VAL A 42 0.861 -3.154 -36.013 1.00 0.00 C ATOM 665 CG1 VAL A 42 -0.234 -3.162 -37.043 1.00 0.00 C ATOM 666 CG2 VAL A 42 0.342 -3.682 -34.690 1.00 0.00 C ATOM 0 H VAL A 42 2.403 -3.714 -38.537 1.00 0.00 H new ATOM 0 HA VAL A 42 2.793 -3.981 -35.660 1.00 0.00 H new ATOM 0 HB VAL A 42 1.186 -2.124 -35.863 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.086 -2.592 -36.673 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.131 -2.711 -37.966 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.542 -4.189 -37.238 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.523 -3.096 -34.379 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.051 -4.726 -34.804 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.124 -3.604 -33.935 1.00 0.00 H new ATOM 676 N ALA A 43 1.799 -6.308 -36.023 1.00 0.00 N ATOM 677 CA ALA A 43 1.424 -7.660 -36.298 1.00 0.00 C ATOM 678 C ALA A 43 -0.081 -7.792 -36.468 1.00 0.00 C ATOM 679 O ALA A 43 -0.872 -7.243 -35.681 1.00 0.00 O ATOM 680 CB ALA A 43 1.914 -8.584 -35.201 1.00 0.00 C ATOM 0 H ALA A 43 2.134 -6.149 -35.073 1.00 0.00 H new ATOM 0 HA ALA A 43 1.896 -7.951 -37.237 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.619 -9.608 -35.429 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.000 -8.526 -35.135 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.476 -8.283 -34.249 1.00 0.00 H new ATOM 686 N ASP A 44 -0.458 -8.515 -37.496 1.00 0.00 N ATOM 687 CA ASP A 44 -1.845 -8.831 -37.785 1.00 0.00 C ATOM 688 C ASP A 44 -2.214 -9.966 -36.840 1.00 0.00 C ATOM 689 O ASP A 44 -1.375 -10.407 -36.052 1.00 0.00 O ATOM 690 CB ASP A 44 -1.943 -9.349 -39.233 1.00 0.00 C ATOM 691 CG ASP A 44 -3.329 -9.285 -39.861 1.00 0.00 C ATOM 692 OD1 ASP A 44 -4.252 -9.931 -39.356 1.00 0.00 O ATOM 693 OD2 ASP A 44 -3.473 -8.616 -40.885 1.00 0.00 O ATOM 0 H ASP A 44 0.199 -8.909 -38.169 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.496 -7.965 -37.665 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.256 -8.774 -39.853 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.601 -10.384 -39.254 1.00 0.00 H new ATOM 698 N GLU A 45 -3.372 -10.514 -36.978 1.00 0.00 N ATOM 699 CA GLU A 45 -3.840 -11.558 -36.071 1.00 0.00 C ATOM 700 C GLU A 45 -3.137 -12.853 -36.399 1.00 0.00 C ATOM 701 O GLU A 45 -2.976 -13.735 -35.560 1.00 0.00 O ATOM 702 CB GLU A 45 -5.344 -11.743 -36.180 1.00 0.00 C ATOM 703 CG GLU A 45 -5.822 -12.290 -37.515 1.00 0.00 C ATOM 704 CD GLU A 45 -7.310 -12.371 -37.565 1.00 0.00 C ATOM 705 OE1 GLU A 45 -7.877 -13.341 -37.037 1.00 0.00 O ATOM 706 OE2 GLU A 45 -7.944 -11.456 -38.119 1.00 0.00 O ATOM 0 H GLU A 45 -4.035 -10.267 -37.713 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.611 -11.261 -35.048 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.672 -12.417 -35.388 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.828 -10.783 -36.002 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.463 -11.651 -38.322 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.396 -13.280 -37.679 1.00 0.00 H new ATOM 713 N TYR A 46 -2.677 -12.926 -37.627 1.00 0.00 N ATOM 714 CA TYR A 46 -1.978 -14.075 -38.121 1.00 0.00 C ATOM 715 C TYR A 46 -0.518 -14.023 -37.671 1.00 0.00 C ATOM 716 O TYR A 46 0.247 -14.964 -37.893 1.00 0.00 O ATOM 717 CB TYR A 46 -2.037 -14.102 -39.647 1.00 0.00 C ATOM 718 CG TYR A 46 -3.421 -13.923 -40.216 1.00 0.00 C ATOM 719 CD1 TYR A 46 -4.376 -14.923 -40.126 1.00 0.00 C ATOM 720 CD2 TYR A 46 -3.771 -12.740 -40.841 1.00 0.00 C ATOM 721 CE1 TYR A 46 -5.642 -14.746 -40.649 1.00 0.00 C ATOM 722 CE2 TYR A 46 -5.031 -12.557 -41.368 1.00 0.00 C ATOM 723 CZ TYR A 46 -5.962 -13.563 -41.271 1.00 0.00 C ATOM 724 OH TYR A 46 -7.219 -13.389 -41.807 1.00 0.00 O ATOM 0 H TYR A 46 -2.782 -12.178 -38.313 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.449 -14.975 -37.725 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.391 -13.316 -40.038 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -1.632 -15.051 -39.998 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.127 -15.855 -39.640 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.044 -11.945 -40.917 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.377 -15.533 -40.570 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.286 -11.627 -41.855 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.283 -12.498 -42.209 1.00 0.00 H new ATOM 734 N GLY A 47 -0.139 -12.903 -37.058 1.00 0.00 N ATOM 735 CA GLY A 47 1.225 -12.708 -36.601 1.00 0.00 C ATOM 736 C GLY A 47 2.103 -12.109 -37.682 1.00 0.00 C ATOM 737 O GLY A 47 3.330 -12.127 -37.584 1.00 0.00 O ATOM 0 H GLY A 47 -0.763 -12.119 -36.869 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.226 -12.054 -35.729 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.642 -13.664 -36.283 1.00 0.00 H new ATOM 741 N ILE A 48 1.475 -11.581 -38.713 1.00 0.00 N ATOM 742 CA ILE A 48 2.189 -11.014 -39.836 1.00 0.00 C ATOM 743 C ILE A 48 2.400 -9.522 -39.632 1.00 0.00 C ATOM 744 O ILE A 48 1.450 -8.802 -39.369 1.00 0.00 O ATOM 745 CB ILE A 48 1.478 -11.322 -41.217 1.00 0.00 C ATOM 746 CG1 ILE A 48 1.874 -12.713 -41.733 1.00 0.00 C ATOM 747 CG2 ILE A 48 1.787 -10.271 -42.283 1.00 0.00 C ATOM 748 CD1 ILE A 48 1.466 -13.865 -40.862 1.00 0.00 C ATOM 0 H ILE A 48 0.459 -11.533 -38.795 1.00 0.00 H new ATOM 0 HA ILE A 48 3.167 -11.494 -39.883 1.00 0.00 H new ATOM 0 HB ILE A 48 0.405 -11.294 -41.027 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.435 -12.854 -42.721 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.956 -12.740 -41.858 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.275 -10.531 -43.209 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.445 -9.294 -41.941 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.862 -10.237 -42.460 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.794 -14.799 -41.318 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.926 -13.759 -39.880 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.381 -13.874 -40.755 1.00 0.00 H new ATOM 760 N PRO A 49 3.649 -9.058 -39.703 1.00 0.00 N ATOM 761 CA PRO A 49 3.977 -7.643 -39.548 1.00 0.00 C ATOM 762 C PRO A 49 3.495 -6.832 -40.759 1.00 0.00 C ATOM 763 O PRO A 49 4.128 -6.816 -41.820 1.00 0.00 O ATOM 764 CB PRO A 49 5.509 -7.633 -39.466 1.00 0.00 C ATOM 765 CG PRO A 49 5.948 -8.880 -40.159 1.00 0.00 C ATOM 766 CD PRO A 49 4.851 -9.886 -39.956 1.00 0.00 C ATOM 0 HA PRO A 49 3.501 -7.194 -38.677 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.923 -6.748 -39.949 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.847 -7.619 -38.430 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.115 -8.696 -41.220 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.889 -9.243 -39.746 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.722 -10.519 -40.834 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.065 -10.546 -39.116 1.00 0.00 H new ATOM 774 N ARG A 50 2.365 -6.223 -40.609 1.00 0.00 N ATOM 775 CA ARG A 50 1.738 -5.463 -41.663 1.00 0.00 C ATOM 776 C ARG A 50 2.255 -4.055 -41.706 1.00 0.00 C ATOM 777 O ARG A 50 2.634 -3.501 -40.682 1.00 0.00 O ATOM 778 CB ARG A 50 0.269 -5.373 -41.383 1.00 0.00 C ATOM 779 CG ARG A 50 -0.482 -6.668 -41.410 1.00 0.00 C ATOM 780 CD ARG A 50 -0.681 -7.169 -42.809 1.00 0.00 C ATOM 781 NE ARG A 50 -1.813 -8.069 -42.853 1.00 0.00 N ATOM 782 CZ ARG A 50 -2.287 -8.672 -43.917 1.00 0.00 C ATOM 783 NH1 ARG A 50 -1.628 -8.667 -45.070 1.00 0.00 N ATOM 784 NH2 ARG A 50 -3.422 -9.305 -43.822 1.00 0.00 N ATOM 0 H ARG A 50 1.834 -6.234 -39.738 1.00 0.00 H new ATOM 0 HA ARG A 50 1.952 -5.964 -42.607 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.133 -4.917 -40.403 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.180 -4.700 -42.113 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.061 -7.415 -40.831 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.452 -6.536 -40.930 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.846 -6.330 -43.485 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.217 -7.683 -43.152 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.289 -8.253 -41.970 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.731 -8.187 -45.143 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.019 -9.144 -45.883 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.922 -9.324 -42.933 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.810 -9.781 -44.636 1.00 0.00 H new ATOM 798 N GLN A 51 2.247 -3.480 -42.877 1.00 0.00 N ATOM 799 CA GLN A 51 2.553 -2.086 -43.042 1.00 0.00 C ATOM 800 C GLN A 51 1.272 -1.319 -42.969 1.00 0.00 C ATOM 801 O GLN A 51 0.216 -1.794 -43.386 1.00 0.00 O ATOM 802 CB GLN A 51 3.243 -1.784 -44.357 1.00 0.00 C ATOM 803 CG GLN A 51 4.704 -2.110 -44.377 1.00 0.00 C ATOM 804 CD GLN A 51 5.581 -0.880 -44.266 1.00 0.00 C ATOM 805 OE1 GLN A 51 6.672 -0.826 -44.823 1.00 0.00 O ATOM 806 NE2 GLN A 51 5.160 0.080 -43.489 1.00 0.00 N ATOM 0 H GLN A 51 2.027 -3.967 -43.746 1.00 0.00 H new ATOM 0 HA GLN A 51 3.244 -1.796 -42.250 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.747 -2.343 -45.150 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.116 -0.726 -44.586 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.932 -2.788 -43.555 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.941 -2.638 -45.301 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.248 0.008 -43.038 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.743 0.902 -43.332 1.00 0.00 H new ATOM 815 N LEU A 52 1.365 -0.171 -42.441 1.00 0.00 N ATOM 816 CA LEU A 52 0.205 0.644 -42.165 1.00 0.00 C ATOM 817 C LEU A 52 0.107 1.830 -43.078 1.00 0.00 C ATOM 818 O LEU A 52 -0.982 2.360 -43.288 1.00 0.00 O ATOM 819 CB LEU A 52 0.355 1.098 -40.728 1.00 0.00 C ATOM 820 CG LEU A 52 0.539 -0.067 -39.776 1.00 0.00 C ATOM 821 CD1 LEU A 52 0.902 0.400 -38.419 1.00 0.00 C ATOM 822 CD2 LEU A 52 -0.707 -0.924 -39.746 1.00 0.00 C ATOM 0 H LEU A 52 2.251 0.259 -42.175 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.707 0.070 -42.328 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.210 1.769 -40.648 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.526 1.669 -40.435 1.00 0.00 H new ATOM 0 HG LEU A 52 1.365 -0.678 -40.140 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.027 -0.459 -37.760 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.835 0.961 -38.465 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.111 1.043 -38.032 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.560 -1.756 -39.058 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.554 -0.324 -39.413 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.907 -1.310 -40.745 1.00 0.00 H new ATOM 834 N ASN A 53 1.232 2.179 -43.669 1.00 0.00 N ATOM 835 CA ASN A 53 1.470 3.451 -44.432 1.00 0.00 C ATOM 836 C ASN A 53 0.675 3.615 -45.729 1.00 0.00 C ATOM 837 O ASN A 53 1.180 4.046 -46.766 1.00 0.00 O ATOM 838 CB ASN A 53 2.965 3.669 -44.652 1.00 0.00 C ATOM 839 CG ASN A 53 3.760 3.631 -43.354 1.00 0.00 C ATOM 840 OD1 ASN A 53 4.940 3.316 -43.345 1.00 0.00 O ATOM 841 ND2 ASN A 53 3.115 3.886 -42.244 1.00 0.00 N ATOM 0 H ASN A 53 2.057 1.580 -43.647 1.00 0.00 H new ATOM 0 HA ASN A 53 1.072 4.239 -43.793 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.344 2.903 -45.328 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.120 4.631 -45.141 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.598 3.823 -41.348 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.130 4.147 -42.275 1.00 0.00 H new ATOM 848 N GLU A 54 -0.552 3.314 -45.618 1.00 0.00 N ATOM 849 CA GLU A 54 -1.535 3.512 -46.620 1.00 0.00 C ATOM 850 C GLU A 54 -2.317 4.766 -46.229 1.00 0.00 C ATOM 851 O GLU A 54 -2.697 5.587 -47.065 1.00 0.00 O ATOM 852 CB GLU A 54 -2.471 2.318 -46.623 1.00 0.00 C ATOM 853 CG GLU A 54 -1.740 1.017 -46.797 1.00 0.00 C ATOM 854 CD GLU A 54 -1.147 0.835 -48.169 1.00 0.00 C ATOM 855 OE1 GLU A 54 -1.888 0.479 -49.101 1.00 0.00 O ATOM 856 OE2 GLU A 54 0.074 1.028 -48.333 1.00 0.00 O ATOM 0 H GLU A 54 -0.933 2.893 -44.770 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.088 3.621 -47.608 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.029 2.295 -45.687 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.199 2.433 -47.426 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.943 0.956 -46.056 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.427 0.195 -46.596 1.00 0.00 H new ATOM 863 N ASN A 55 -2.469 4.912 -44.909 1.00 0.00 N ATOM 864 CA ASN A 55 -3.230 5.988 -44.249 1.00 0.00 C ATOM 865 C ASN A 55 -3.283 5.678 -42.756 1.00 0.00 C ATOM 866 O ASN A 55 -3.431 6.568 -41.920 1.00 0.00 O ATOM 867 CB ASN A 55 -4.681 6.073 -44.793 1.00 0.00 C ATOM 868 CG ASN A 55 -5.707 5.173 -44.070 1.00 0.00 C ATOM 869 OD1 ASN A 55 -6.397 5.605 -43.145 1.00 0.00 O ATOM 870 ND2 ASN A 55 -5.781 3.926 -44.453 1.00 0.00 N ATOM 0 H ASN A 55 -2.052 4.262 -44.243 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.738 6.941 -44.444 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.018 7.108 -44.725 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.672 5.809 -45.851 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.421 3.285 -43.983 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.199 3.593 -45.222 1.00 0.00 H new ATOM 877 N SER A 56 -3.204 4.392 -42.444 1.00 0.00 N ATOM 878 CA SER A 56 -3.256 3.925 -41.104 1.00 0.00 C ATOM 879 C SER A 56 -1.879 3.890 -40.476 1.00 0.00 C ATOM 880 O SER A 56 -0.872 3.918 -41.168 1.00 0.00 O ATOM 881 CB SER A 56 -3.864 2.540 -41.109 1.00 0.00 C ATOM 882 OG SER A 56 -5.042 2.521 -41.910 1.00 0.00 O ATOM 0 H SER A 56 -3.101 3.651 -43.137 1.00 0.00 H new ATOM 0 HA SER A 56 -3.864 4.607 -40.509 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.142 1.820 -41.494 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.104 2.237 -40.090 1.00 0.00 H new ATOM 0 HG SER A 56 -5.278 1.594 -42.122 1.00 0.00 H new ATOM 888 N PHE A 57 -1.847 3.899 -39.177 1.00 0.00 N ATOM 889 CA PHE A 57 -0.637 3.767 -38.408 1.00 0.00 C ATOM 890 C PHE A 57 -1.028 3.102 -37.101 1.00 0.00 C ATOM 891 O PHE A 57 -2.208 3.080 -36.779 1.00 0.00 O ATOM 892 CB PHE A 57 0.014 5.126 -38.130 1.00 0.00 C ATOM 893 CG PHE A 57 0.335 5.957 -39.353 1.00 0.00 C ATOM 894 CD1 PHE A 57 -0.606 6.831 -39.887 1.00 0.00 C ATOM 895 CD2 PHE A 57 1.563 5.842 -39.980 1.00 0.00 C ATOM 896 CE1 PHE A 57 -0.323 7.570 -41.021 1.00 0.00 C ATOM 897 CE2 PHE A 57 1.848 6.581 -41.115 1.00 0.00 C ATOM 898 CZ PHE A 57 0.906 7.442 -41.635 1.00 0.00 C ATOM 0 H PHE A 57 -2.684 4.001 -38.603 1.00 0.00 H new ATOM 0 HA PHE A 57 0.095 3.179 -38.961 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.650 5.702 -37.485 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.936 4.960 -37.573 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.570 6.934 -39.410 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.307 5.169 -39.580 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.062 8.246 -41.425 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.811 6.483 -41.594 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.129 8.016 -42.522 1.00 0.00 H new ATOM 908 N ALA A 58 -0.087 2.566 -36.361 1.00 0.00 N ATOM 909 CA ALA A 58 -0.416 1.856 -35.130 1.00 0.00 C ATOM 910 C ALA A 58 0.386 2.376 -33.983 1.00 0.00 C ATOM 911 O ALA A 58 1.394 3.051 -34.184 1.00 0.00 O ATOM 912 CB ALA A 58 -0.187 0.358 -35.271 1.00 0.00 C ATOM 0 H ALA A 58 0.908 2.603 -36.580 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.474 2.029 -34.935 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.442 -0.139 -34.335 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.815 -0.032 -36.072 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.861 0.171 -35.507 1.00 0.00 H new ATOM 918 N ILE A 59 -0.054 2.067 -32.793 1.00 0.00 N ATOM 919 CA ILE A 59 0.608 2.486 -31.601 1.00 0.00 C ATOM 920 C ILE A 59 0.286 1.522 -30.442 1.00 0.00 C ATOM 921 O ILE A 59 -0.850 1.077 -30.291 1.00 0.00 O ATOM 922 CB ILE A 59 0.206 3.932 -31.256 1.00 0.00 C ATOM 923 CG1 ILE A 59 0.999 4.423 -30.059 1.00 0.00 C ATOM 924 CG2 ILE A 59 -1.306 4.037 -31.006 1.00 0.00 C ATOM 925 CD1 ILE A 59 0.940 5.905 -29.888 1.00 0.00 C ATOM 0 H ILE A 59 -0.893 1.510 -32.629 1.00 0.00 H new ATOM 0 HA ILE A 59 1.686 2.463 -31.763 1.00 0.00 H new ATOM 0 HB ILE A 59 0.441 4.572 -32.107 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.619 3.943 -29.157 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.039 4.117 -30.169 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.564 5.068 -30.764 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.845 3.728 -31.902 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.583 3.389 -30.174 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.526 6.194 -29.016 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.346 6.390 -30.775 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.096 6.214 -29.748 1.00 0.00 H new ATOM 937 N THR A 60 1.271 1.227 -29.633 1.00 0.00 N ATOM 938 CA THR A 60 1.130 0.255 -28.544 1.00 0.00 C ATOM 939 C THR A 60 0.691 0.934 -27.212 1.00 0.00 C ATOM 940 O THR A 60 0.956 0.437 -26.108 1.00 0.00 O ATOM 941 CB THR A 60 2.459 -0.560 -28.347 1.00 0.00 C ATOM 942 OG1 THR A 60 2.205 -1.724 -27.537 1.00 0.00 O ATOM 943 CG2 THR A 60 3.552 0.277 -27.671 1.00 0.00 C ATOM 0 H THR A 60 2.199 1.646 -29.699 1.00 0.00 H new ATOM 0 HA THR A 60 0.339 -0.439 -28.829 1.00 0.00 H new ATOM 0 HB THR A 60 2.808 -0.850 -29.338 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.748 -1.456 -26.713 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.453 -0.326 -27.555 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.776 1.148 -28.286 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.206 0.604 -26.691 1.00 0.00 H new ATOM 951 N THR A 61 -0.068 1.982 -27.329 1.00 0.00 N ATOM 952 CA THR A 61 -0.479 2.744 -26.187 1.00 0.00 C ATOM 953 C THR A 61 -1.662 2.045 -25.460 1.00 0.00 C ATOM 954 O THR A 61 -2.228 1.067 -25.957 1.00 0.00 O ATOM 955 CB THR A 61 -0.879 4.176 -26.613 1.00 0.00 C ATOM 956 OG1 THR A 61 -0.980 5.013 -25.460 1.00 0.00 O ATOM 957 CG2 THR A 61 -2.223 4.163 -27.340 1.00 0.00 C ATOM 0 H THR A 61 -0.420 2.334 -28.219 1.00 0.00 H new ATOM 0 HA THR A 61 0.360 2.808 -25.494 1.00 0.00 H new ATOM 0 HB THR A 61 -0.113 4.562 -27.285 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.605 5.895 -25.662 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.488 5.179 -27.632 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.150 3.537 -28.229 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.991 3.764 -26.678 1.00 0.00 H new ATOM 965 N SER A 62 -2.022 2.538 -24.307 1.00 0.00 N ATOM 966 CA SER A 62 -3.098 1.956 -23.556 1.00 0.00 C ATOM 967 C SER A 62 -4.151 3.018 -23.231 1.00 0.00 C ATOM 968 O SER A 62 -5.183 2.728 -22.602 1.00 0.00 O ATOM 969 CB SER A 62 -2.539 1.331 -22.291 1.00 0.00 C ATOM 970 OG SER A 62 -3.512 0.571 -21.602 1.00 0.00 O ATOM 0 H SER A 62 -1.583 3.346 -23.866 1.00 0.00 H new ATOM 0 HA SER A 62 -3.584 1.179 -24.147 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.693 0.692 -22.545 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.160 2.115 -21.636 1.00 0.00 H new ATOM 0 HG SER A 62 -4.396 0.970 -21.739 1.00 0.00 H new ATOM 976 N LEU A 63 -3.887 4.242 -23.654 1.00 0.00 N ATOM 977 CA LEU A 63 -4.819 5.334 -23.463 1.00 0.00 C ATOM 978 C LEU A 63 -6.007 5.216 -24.391 1.00 0.00 C ATOM 979 O LEU A 63 -6.081 4.292 -25.217 1.00 0.00 O ATOM 980 CB LEU A 63 -4.125 6.719 -23.538 1.00 0.00 C ATOM 981 CG LEU A 63 -3.163 6.968 -24.697 1.00 0.00 C ATOM 982 CD1 LEU A 63 -3.857 7.250 -25.984 1.00 0.00 C ATOM 983 CD2 LEU A 63 -2.134 8.030 -24.360 1.00 0.00 C ATOM 0 H LEU A 63 -3.027 4.503 -24.136 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.209 5.256 -22.448 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.902 7.482 -23.577 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.577 6.870 -22.608 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.625 6.032 -24.848 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.117 7.418 -26.767 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.484 6.400 -26.253 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.478 8.139 -25.875 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.470 8.176 -25.212 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.640 8.967 -24.130 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.551 7.711 -23.496 1.00 0.00 H new ATOM 995 N ALA A 64 -6.918 6.128 -24.280 1.00 0.00 N ATOM 996 CA ALA A 64 -8.123 6.008 -25.025 1.00 0.00 C ATOM 997 C ALA A 64 -8.006 6.616 -26.393 1.00 0.00 C ATOM 998 O ALA A 64 -7.068 7.347 -26.677 1.00 0.00 O ATOM 999 CB ALA A 64 -9.307 6.561 -24.279 1.00 0.00 C ATOM 0 H ALA A 64 -6.850 6.955 -23.687 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.296 4.940 -25.160 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.205 6.448 -24.886 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.432 6.019 -23.342 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.143 7.618 -24.068 1.00 0.00 H new ATOM 1005 N ALA A 65 -8.992 6.346 -27.216 1.00 0.00 N ATOM 1006 CA ALA A 65 -9.027 6.803 -28.594 1.00 0.00 C ATOM 1007 C ALA A 65 -8.914 8.312 -28.707 1.00 0.00 C ATOM 1008 O ALA A 65 -8.074 8.824 -29.446 1.00 0.00 O ATOM 1009 CB ALA A 65 -10.274 6.290 -29.287 1.00 0.00 C ATOM 0 H ALA A 65 -9.807 5.795 -26.947 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.153 6.391 -29.098 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.287 6.640 -30.319 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.275 5.200 -29.274 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.158 6.660 -28.767 1.00 0.00 H new ATOM 1015 N SER A 66 -9.680 9.013 -27.930 1.00 0.00 N ATOM 1016 CA SER A 66 -9.645 10.449 -27.994 1.00 0.00 C ATOM 1017 C SER A 66 -8.484 11.032 -27.189 1.00 0.00 C ATOM 1018 O SER A 66 -8.267 12.246 -27.162 1.00 0.00 O ATOM 1019 CB SER A 66 -10.989 11.044 -27.641 1.00 0.00 C ATOM 1020 OG SER A 66 -11.954 10.614 -28.592 1.00 0.00 O ATOM 0 H SER A 66 -10.332 8.624 -27.249 1.00 0.00 H new ATOM 0 HA SER A 66 -9.448 10.736 -29.027 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.285 10.734 -26.639 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.928 12.132 -27.634 1.00 0.00 H new ATOM 0 HG SER A 66 -11.619 10.784 -29.497 1.00 0.00 H new ATOM 1026 N GLU A 67 -7.717 10.157 -26.570 1.00 0.00 N ATOM 1027 CA GLU A 67 -6.507 10.558 -25.928 1.00 0.00 C ATOM 1028 C GLU A 67 -5.438 10.532 -26.997 1.00 0.00 C ATOM 1029 O GLU A 67 -4.633 11.447 -27.094 1.00 0.00 O ATOM 1030 CB GLU A 67 -6.142 9.619 -24.780 1.00 0.00 C ATOM 1031 CG GLU A 67 -7.127 9.591 -23.635 1.00 0.00 C ATOM 1032 CD GLU A 67 -7.219 10.899 -22.911 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -6.389 11.149 -22.019 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -8.149 11.677 -23.190 1.00 0.00 O ATOM 0 H GLU A 67 -7.923 9.160 -26.505 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.614 11.549 -25.488 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.041 8.609 -25.176 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.166 9.908 -24.391 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.112 9.323 -24.017 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.835 8.812 -22.931 1.00 0.00 H new ATOM 1041 N ILE A 68 -5.470 9.469 -27.847 1.00 0.00 N ATOM 1042 CA ILE A 68 -4.545 9.378 -28.989 1.00 0.00 C ATOM 1043 C ILE A 68 -4.772 10.566 -29.883 1.00 0.00 C ATOM 1044 O ILE A 68 -3.823 11.201 -30.327 1.00 0.00 O ATOM 1045 CB ILE A 68 -4.728 8.116 -29.877 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -5.172 6.912 -29.063 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -3.429 7.821 -30.616 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -5.036 5.584 -29.739 1.00 0.00 C ATOM 0 H ILE A 68 -6.115 8.684 -27.759 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.546 9.334 -28.554 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.517 8.318 -30.601 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.595 6.889 -28.139 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.216 7.051 -28.783 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.558 6.936 -31.239 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.167 8.672 -31.245 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.632 7.644 -29.894 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.381 4.797 -29.068 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.637 5.575 -30.648 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.990 5.411 -29.994 1.00 0.00 H new ATOM 1060 N GLU A 69 -6.050 10.861 -30.135 1.00 0.00 N ATOM 1061 CA GLU A 69 -6.422 12.010 -30.927 1.00 0.00 C ATOM 1062 C GLU A 69 -5.796 13.262 -30.385 1.00 0.00 C ATOM 1063 O GLU A 69 -5.074 13.911 -31.093 1.00 0.00 O ATOM 1064 CB GLU A 69 -7.923 12.198 -31.004 1.00 0.00 C ATOM 1065 CG GLU A 69 -8.638 11.188 -31.851 1.00 0.00 C ATOM 1066 CD GLU A 69 -10.125 11.369 -31.816 1.00 0.00 C ATOM 1067 OE1 GLU A 69 -10.644 12.214 -32.558 1.00 0.00 O ATOM 1068 OE2 GLU A 69 -10.810 10.690 -31.031 1.00 0.00 O ATOM 0 H GLU A 69 -6.839 10.311 -29.795 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.051 11.819 -31.934 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.332 12.161 -29.995 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.131 13.194 -31.396 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.288 11.267 -32.880 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.388 10.185 -31.506 1.00 0.00 H new ATOM 1075 N ASP A 70 -6.037 13.561 -29.108 1.00 0.00 N ATOM 1076 CA ASP A 70 -5.505 14.790 -28.479 1.00 0.00 C ATOM 1077 C ASP A 70 -3.998 14.872 -28.594 1.00 0.00 C ATOM 1078 O ASP A 70 -3.457 15.933 -28.900 1.00 0.00 O ATOM 1079 CB ASP A 70 -5.956 14.939 -27.024 1.00 0.00 C ATOM 1080 CG ASP A 70 -5.392 16.185 -26.355 1.00 0.00 C ATOM 1081 OD1 ASP A 70 -5.740 17.317 -26.770 1.00 0.00 O ATOM 1082 OD2 ASP A 70 -4.609 16.062 -25.401 1.00 0.00 O ATOM 0 H ASP A 70 -6.594 12.977 -28.484 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.926 15.628 -29.034 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.045 14.974 -26.988 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.647 14.058 -26.461 1.00 0.00 H new ATOM 1087 N LEU A 71 -3.337 13.734 -28.413 1.00 0.00 N ATOM 1088 CA LEU A 71 -1.895 13.626 -28.599 1.00 0.00 C ATOM 1089 C LEU A 71 -1.497 14.111 -29.987 1.00 0.00 C ATOM 1090 O LEU A 71 -0.624 14.952 -30.137 1.00 0.00 O ATOM 1091 CB LEU A 71 -1.435 12.174 -28.418 1.00 0.00 C ATOM 1092 CG LEU A 71 -0.781 11.804 -27.090 1.00 0.00 C ATOM 1093 CD1 LEU A 71 -1.741 11.964 -25.924 1.00 0.00 C ATOM 1094 CD2 LEU A 71 -0.249 10.391 -27.169 1.00 0.00 C ATOM 0 H LEU A 71 -3.785 12.861 -28.134 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.412 14.251 -27.848 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.301 11.527 -28.559 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.730 11.942 -29.216 1.00 0.00 H new ATOM 0 HG LEU A 71 0.047 12.489 -26.909 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.237 11.691 -24.997 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.072 13.001 -25.865 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.604 11.315 -26.072 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.219 10.125 -26.221 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.070 9.704 -27.374 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.488 10.324 -27.969 1.00 0.00 H new ATOM 1106 N ILE A 72 -2.182 13.618 -30.981 1.00 0.00 N ATOM 1107 CA ILE A 72 -1.894 13.961 -32.351 1.00 0.00 C ATOM 1108 C ILE A 72 -2.335 15.404 -32.646 1.00 0.00 C ATOM 1109 O ILE A 72 -1.609 16.178 -33.278 1.00 0.00 O ATOM 1110 CB ILE A 72 -2.626 12.990 -33.294 1.00 0.00 C ATOM 1111 CG1 ILE A 72 -2.132 11.571 -33.042 1.00 0.00 C ATOM 1112 CG2 ILE A 72 -2.410 13.382 -34.757 1.00 0.00 C ATOM 1113 CD1 ILE A 72 -3.104 10.521 -33.469 1.00 0.00 C ATOM 0 H ILE A 72 -2.958 12.966 -30.867 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.819 13.883 -32.514 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.696 13.040 -33.092 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.191 11.422 -33.572 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.922 11.451 -31.979 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.937 12.680 -35.403 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.794 14.388 -34.924 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.345 13.357 -34.987 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.689 9.535 -33.261 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.038 10.645 -32.920 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.296 10.616 -34.538 1.00 0.00 H new ATOM 1125 N ARG A 73 -3.506 15.763 -32.143 1.00 0.00 N ATOM 1126 CA ARG A 73 -4.093 17.067 -32.376 1.00 0.00 C ATOM 1127 C ARG A 73 -3.221 18.179 -31.807 1.00 0.00 C ATOM 1128 O ARG A 73 -3.142 19.261 -32.382 1.00 0.00 O ATOM 1129 CB ARG A 73 -5.502 17.180 -31.783 1.00 0.00 C ATOM 1130 CG ARG A 73 -6.511 16.175 -32.322 1.00 0.00 C ATOM 1131 CD ARG A 73 -6.833 16.315 -33.803 1.00 0.00 C ATOM 1132 NE ARG A 73 -7.298 17.673 -34.163 1.00 0.00 N ATOM 1133 CZ ARG A 73 -7.804 18.046 -35.363 1.00 0.00 C ATOM 1134 NH1 ARG A 73 -8.113 17.127 -36.296 1.00 0.00 N ATOM 1135 NH2 ARG A 73 -8.032 19.337 -35.606 1.00 0.00 N ATOM 0 H ARG A 73 -4.077 15.152 -31.559 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.162 17.180 -33.458 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.435 17.060 -30.702 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.879 18.186 -31.970 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.131 15.169 -32.142 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.436 16.272 -31.754 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.945 16.073 -34.388 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.600 15.590 -34.073 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.232 18.393 -33.443 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.967 16.136 -36.104 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.493 17.421 -37.195 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.826 20.035 -34.891 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.413 19.627 -36.507 1.00 0.00 H new ATOM 1149 N LEU A 74 -2.549 17.922 -30.686 1.00 0.00 N ATOM 1150 CA LEU A 74 -1.715 18.943 -30.085 1.00 0.00 C ATOM 1151 C LEU A 74 -0.353 19.017 -30.789 1.00 0.00 C ATOM 1152 O LEU A 74 0.365 19.994 -30.671 1.00 0.00 O ATOM 1153 CB LEU A 74 -1.617 18.782 -28.536 1.00 0.00 C ATOM 1154 CG LEU A 74 -0.765 17.643 -27.952 1.00 0.00 C ATOM 1155 CD1 LEU A 74 0.682 18.079 -27.799 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -1.321 17.185 -26.613 1.00 0.00 C ATOM 0 H LEU A 74 -2.568 17.032 -30.189 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.192 19.911 -30.237 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.233 19.719 -28.133 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.631 18.662 -28.154 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.803 16.804 -28.647 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.267 17.258 -27.384 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.084 18.355 -28.774 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.735 18.937 -27.129 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.702 16.379 -26.219 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.318 18.020 -25.913 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.342 16.827 -26.746 1.00 0.00 H new ATOM 1168 N LYS A 75 -0.031 17.990 -31.569 1.00 0.00 N ATOM 1169 CA LYS A 75 1.194 17.987 -32.368 1.00 0.00 C ATOM 1170 C LYS A 75 0.949 18.700 -33.683 1.00 0.00 C ATOM 1171 O LYS A 75 1.869 19.054 -34.403 1.00 0.00 O ATOM 1172 CB LYS A 75 1.743 16.565 -32.603 1.00 0.00 C ATOM 1173 CG LYS A 75 2.750 16.061 -31.553 1.00 0.00 C ATOM 1174 CD LYS A 75 2.190 16.054 -30.151 1.00 0.00 C ATOM 1175 CE LYS A 75 3.176 15.498 -29.132 1.00 0.00 C ATOM 1176 NZ LYS A 75 4.409 16.303 -29.034 1.00 0.00 N ATOM 0 H LYS A 75 -0.599 17.149 -31.666 1.00 0.00 H new ATOM 0 HA LYS A 75 1.959 18.522 -31.805 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.903 15.871 -32.638 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.221 16.536 -33.582 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.066 15.052 -31.817 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.639 16.691 -31.580 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.914 17.070 -29.868 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.277 15.459 -30.131 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.696 15.455 -28.154 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.436 14.475 -29.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.991 15.952 -28.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.945 16.227 -29.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.161 17.299 -28.864 1.00 0.00 H new ATOM 1190 N CYS A 76 -0.307 18.962 -33.960 1.00 0.00 N ATOM 1191 CA CYS A 76 -0.700 19.682 -35.150 1.00 0.00 C ATOM 1192 C CYS A 76 -0.522 21.185 -34.908 1.00 0.00 C ATOM 1193 O CYS A 76 -0.717 22.017 -35.797 1.00 0.00 O ATOM 1194 CB CYS A 76 -2.141 19.348 -35.493 1.00 0.00 C ATOM 1195 SG CYS A 76 -2.756 20.000 -37.066 1.00 0.00 S ATOM 0 H CYS A 76 -1.087 18.682 -33.366 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.074 19.389 -35.993 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.248 18.263 -35.506 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.780 19.722 -34.693 1.00 0.00 H new ATOM 0 HG CYS A 76 -4.042 19.823 -37.136 1.00 0.00 H new ATOM 1201 N LEU A 77 -0.151 21.518 -33.685 1.00 0.00 N ATOM 1202 CA LEU A 77 0.138 22.871 -33.312 1.00 0.00 C ATOM 1203 C LEU A 77 1.585 23.169 -33.670 1.00 0.00 C ATOM 1204 O LEU A 77 2.001 24.320 -33.722 1.00 0.00 O ATOM 1205 CB LEU A 77 -0.082 23.062 -31.807 1.00 0.00 C ATOM 1206 CG LEU A 77 -1.455 22.638 -31.264 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -1.552 22.897 -29.774 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -2.580 23.337 -32.004 1.00 0.00 C ATOM 0 H LEU A 77 -0.044 20.846 -32.925 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.526 23.553 -33.844 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.686 22.500 -31.274 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.070 24.115 -31.569 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.559 21.566 -31.432 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.533 22.588 -29.414 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.780 22.329 -29.255 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.412 23.960 -29.580 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.538 23.016 -31.596 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.478 24.416 -31.885 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.532 23.082 -33.063 1.00 0.00 H new ATOM 1220 N ASP A 78 2.339 22.105 -33.924 1.00 0.00 N ATOM 1221 CA ASP A 78 3.739 22.210 -34.306 1.00 0.00 C ATOM 1222 C ASP A 78 3.819 22.567 -35.751 1.00 0.00 C ATOM 1223 O ASP A 78 4.513 23.513 -36.144 1.00 0.00 O ATOM 1224 CB ASP A 78 4.448 20.878 -34.111 1.00 0.00 C ATOM 1225 CG ASP A 78 5.945 20.970 -34.368 1.00 0.00 C ATOM 1226 OD1 ASP A 78 6.685 21.450 -33.477 1.00 0.00 O ATOM 1227 OD2 ASP A 78 6.413 20.562 -35.458 1.00 0.00 O ATOM 0 H ASP A 78 1.995 21.146 -33.870 1.00 0.00 H new ATOM 0 HA ASP A 78 4.214 22.970 -33.685 1.00 0.00 H new ATOM 0 HB2 ASP A 78 4.279 20.526 -33.093 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.013 20.137 -34.781 1.00 0.00 H new ATOM 1232 N LEU A 79 3.065 21.825 -36.526 1.00 0.00 N ATOM 1233 CA LEU A 79 3.041 21.960 -37.982 1.00 0.00 C ATOM 1234 C LEU A 79 2.311 23.253 -38.400 1.00 0.00 C ATOM 1235 O LEU A 79 1.577 23.832 -37.587 1.00 0.00 O ATOM 1236 CB LEU A 79 2.392 20.681 -38.587 1.00 0.00 C ATOM 1237 CG LEU A 79 0.921 20.401 -38.248 1.00 0.00 C ATOM 1238 CD1 LEU A 79 -0.028 21.215 -39.099 1.00 0.00 C ATOM 1239 CD2 LEU A 79 0.622 18.929 -38.349 1.00 0.00 C ATOM 0 H LEU A 79 2.441 21.101 -36.171 1.00 0.00 H new ATOM 0 HA LEU A 79 4.055 22.048 -38.372 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.481 20.740 -39.672 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.980 19.822 -38.265 1.00 0.00 H new ATOM 0 HG LEU A 79 0.761 20.713 -37.216 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.056 20.982 -38.822 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.159 22.277 -38.939 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.128 20.974 -40.150 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.426 18.753 -38.105 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.820 18.586 -39.365 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.254 18.381 -37.651 1.00 0.00 H new ATOM 1251 N PRO A 80 2.531 23.735 -39.657 1.00 0.00 N ATOM 1252 CA PRO A 80 1.864 24.930 -40.180 1.00 0.00 C ATOM 1253 C PRO A 80 0.327 24.854 -40.068 1.00 0.00 C ATOM 1254 O PRO A 80 -0.261 25.492 -39.181 1.00 0.00 O ATOM 1255 CB PRO A 80 2.304 25.018 -41.655 1.00 0.00 C ATOM 1256 CG PRO A 80 3.121 23.797 -41.935 1.00 0.00 C ATOM 1257 CD PRO A 80 3.495 23.183 -40.619 1.00 0.00 C ATOM 0 HA PRO A 80 2.143 25.812 -39.604 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.438 25.063 -42.315 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.887 25.922 -41.831 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.554 23.089 -42.539 1.00 0.00 H new ATOM 0 HG3 PRO A 80 4.014 24.057 -42.503 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.435 22.095 -40.659 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.519 23.435 -40.342 1.00 0.00 H new ATOM 1265 N ASP A 81 -0.312 24.043 -40.923 1.00 0.00 N ATOM 1266 CA ASP A 81 -1.786 23.885 -40.901 1.00 0.00 C ATOM 1267 C ASP A 81 -2.261 22.768 -41.817 1.00 0.00 C ATOM 1268 O ASP A 81 -1.861 22.692 -42.976 1.00 0.00 O ATOM 1269 CB ASP A 81 -2.514 25.196 -41.281 1.00 0.00 C ATOM 1270 CG ASP A 81 -4.026 25.034 -41.384 1.00 0.00 C ATOM 1271 OD1 ASP A 81 -4.725 25.084 -40.334 1.00 0.00 O ATOM 1272 OD2 ASP A 81 -4.546 24.855 -42.501 1.00 0.00 O ATOM 0 H ASP A 81 0.159 23.487 -41.637 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.038 23.624 -39.873 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.287 25.959 -40.537 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.128 25.555 -42.235 1.00 0.00 H new ATOM 1277 N ILE A 82 -3.107 21.910 -41.280 1.00 0.00 N ATOM 1278 CA ILE A 82 -3.737 20.846 -42.013 1.00 0.00 C ATOM 1279 C ILE A 82 -5.029 20.439 -41.333 1.00 0.00 C ATOM 1280 O ILE A 82 -5.069 20.170 -40.131 1.00 0.00 O ATOM 1281 CB ILE A 82 -2.828 19.588 -42.230 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -3.637 18.438 -42.864 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -2.163 19.153 -40.938 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -2.828 17.212 -43.194 1.00 0.00 C ATOM 0 H ILE A 82 -3.377 21.940 -40.297 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.938 21.247 -43.006 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.032 19.862 -42.922 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.439 18.156 -42.182 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.109 18.803 -43.776 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.540 18.278 -41.126 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.543 19.964 -40.557 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.927 18.903 -40.202 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.477 16.456 -43.635 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.043 17.474 -43.903 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.378 16.817 -42.283 1.00 0.00 H new ATOM 1296 N ASP A 83 -6.077 20.493 -42.074 1.00 0.00 N ATOM 1297 CA ASP A 83 -7.347 19.988 -41.630 1.00 0.00 C ATOM 1298 C ASP A 83 -7.461 18.529 -42.006 1.00 0.00 C ATOM 1299 O ASP A 83 -7.711 18.183 -43.169 1.00 0.00 O ATOM 1300 CB ASP A 83 -8.493 20.795 -42.221 1.00 0.00 C ATOM 1301 CG ASP A 83 -9.847 20.227 -41.902 1.00 0.00 C ATOM 1302 OD1 ASP A 83 -10.124 19.925 -40.727 1.00 0.00 O ATOM 1303 OD2 ASP A 83 -10.684 20.122 -42.822 1.00 0.00 O ATOM 0 H ASP A 83 -6.088 20.890 -43.014 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.410 20.084 -40.546 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.439 21.818 -41.847 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.373 20.844 -43.303 1.00 0.00 H new ATOM 1308 N PHE A 84 -7.202 17.689 -41.049 1.00 0.00 N ATOM 1309 CA PHE A 84 -7.241 16.259 -41.244 1.00 0.00 C ATOM 1310 C PHE A 84 -8.237 15.644 -40.289 1.00 0.00 C ATOM 1311 O PHE A 84 -8.579 16.246 -39.252 1.00 0.00 O ATOM 1312 CB PHE A 84 -5.842 15.629 -41.011 1.00 0.00 C ATOM 1313 CG PHE A 84 -5.309 15.771 -39.596 1.00 0.00 C ATOM 1314 CD1 PHE A 84 -4.563 16.871 -39.235 1.00 0.00 C ATOM 1315 CD2 PHE A 84 -5.560 14.798 -38.635 1.00 0.00 C ATOM 1316 CE1 PHE A 84 -4.076 17.009 -37.953 1.00 0.00 C ATOM 1317 CE2 PHE A 84 -5.075 14.931 -37.349 1.00 0.00 C ATOM 1318 CZ PHE A 84 -4.332 16.039 -37.009 1.00 0.00 C ATOM 0 H PHE A 84 -6.955 17.973 -40.101 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.543 16.060 -42.272 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.890 14.569 -41.262 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.133 16.088 -41.700 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.356 17.637 -39.968 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -6.142 13.927 -38.898 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.493 17.879 -37.688 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -5.278 14.168 -36.612 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.951 16.147 -36.004 1.00 0.00 H new ATOM 1328 N ASP A 85 -8.691 14.484 -40.618 1.00 0.00 N ATOM 1329 CA ASP A 85 -9.584 13.731 -39.776 1.00 0.00 C ATOM 1330 C ASP A 85 -8.941 12.399 -39.516 1.00 0.00 C ATOM 1331 O ASP A 85 -8.321 11.837 -40.406 1.00 0.00 O ATOM 1332 CB ASP A 85 -10.948 13.547 -40.457 1.00 0.00 C ATOM 1333 CG ASP A 85 -11.929 12.730 -39.632 1.00 0.00 C ATOM 1334 OD1 ASP A 85 -12.312 13.177 -38.525 1.00 0.00 O ATOM 1335 OD2 ASP A 85 -12.355 11.646 -40.082 1.00 0.00 O ATOM 0 H ASP A 85 -8.454 14.016 -41.493 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.759 14.261 -38.840 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.381 14.527 -40.657 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.802 13.060 -41.421 1.00 0.00 H new ATOM 1340 N LEU A 86 -9.001 11.927 -38.317 1.00 0.00 N ATOM 1341 CA LEU A 86 -8.426 10.657 -38.020 1.00 0.00 C ATOM 1342 C LEU A 86 -9.444 9.808 -37.324 1.00 0.00 C ATOM 1343 O LEU A 86 -10.293 10.321 -36.594 1.00 0.00 O ATOM 1344 CB LEU A 86 -7.180 10.783 -37.122 1.00 0.00 C ATOM 1345 CG LEU A 86 -7.425 11.073 -35.619 1.00 0.00 C ATOM 1346 CD1 LEU A 86 -6.201 10.788 -34.813 1.00 0.00 C ATOM 1347 CD2 LEU A 86 -7.862 12.501 -35.379 1.00 0.00 C ATOM 0 H LEU A 86 -9.441 12.399 -37.527 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.118 10.202 -38.961 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.610 9.857 -37.200 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.552 11.578 -37.523 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.231 10.411 -35.302 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.400 11.000 -33.762 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.927 9.739 -34.926 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.382 11.417 -35.161 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.022 12.658 -34.312 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.089 13.183 -35.734 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.790 12.693 -35.917 1.00 0.00 H new ATOM 1359 N ASN A 87 -9.398 8.551 -37.567 1.00 0.00 N ATOM 1360 CA ASN A 87 -10.217 7.640 -36.862 1.00 0.00 C ATOM 1361 C ASN A 87 -9.352 6.687 -36.085 1.00 0.00 C ATOM 1362 O ASN A 87 -8.554 5.955 -36.668 1.00 0.00 O ATOM 1363 CB ASN A 87 -11.164 6.875 -37.793 1.00 0.00 C ATOM 1364 CG ASN A 87 -11.930 5.786 -37.055 1.00 0.00 C ATOM 1365 OD1 ASN A 87 -12.999 6.019 -36.491 1.00 0.00 O ATOM 1366 ND2 ASN A 87 -11.393 4.602 -37.049 1.00 0.00 N ATOM 0 H ASN A 87 -8.788 8.124 -38.264 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.843 8.209 -36.175 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.870 7.572 -38.245 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -10.591 6.429 -38.606 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -11.859 3.833 -36.567 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -10.506 4.442 -37.526 1.00 0.00 H new ATOM 1373 N ILE A 88 -9.459 6.735 -34.790 1.00 0.00 N ATOM 1374 CA ILE A 88 -8.772 5.792 -33.947 1.00 0.00 C ATOM 1375 C ILE A 88 -9.622 4.543 -33.793 1.00 0.00 C ATOM 1376 O ILE A 88 -10.840 4.632 -33.560 1.00 0.00 O ATOM 1377 CB ILE A 88 -8.500 6.353 -32.540 1.00 0.00 C ATOM 1378 CG1 ILE A 88 -7.593 7.590 -32.584 1.00 0.00 C ATOM 1379 CG2 ILE A 88 -7.874 5.263 -31.667 1.00 0.00 C ATOM 1380 CD1 ILE A 88 -6.216 7.311 -33.119 1.00 0.00 C ATOM 0 H ILE A 88 -10.020 7.423 -34.287 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.817 5.573 -34.424 1.00 0.00 H new ATOM 0 HB ILE A 88 -9.451 6.666 -32.110 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -8.065 8.354 -33.202 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.506 8.002 -31.579 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.681 5.661 -30.671 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.558 4.418 -31.594 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -6.936 4.933 -32.114 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.633 8.232 -33.120 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.724 6.570 -32.489 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.292 6.928 -34.137 1.00 0.00 H new ATOM 1392 N MET A 89 -8.998 3.413 -33.932 1.00 0.00 N ATOM 1393 CA MET A 89 -9.621 2.141 -33.732 1.00 0.00 C ATOM 1394 C MET A 89 -8.542 1.212 -33.210 1.00 0.00 C ATOM 1395 O MET A 89 -7.380 1.507 -33.341 1.00 0.00 O ATOM 1396 CB MET A 89 -10.207 1.582 -35.056 1.00 0.00 C ATOM 1397 CG MET A 89 -9.175 0.950 -35.998 1.00 0.00 C ATOM 1398 SD MET A 89 -9.874 0.423 -37.576 1.00 0.00 S ATOM 1399 CE MET A 89 -10.079 1.969 -38.414 1.00 0.00 C ATOM 0 H MET A 89 -8.015 3.349 -34.195 1.00 0.00 H new ATOM 0 HA MET A 89 -10.452 2.231 -33.032 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.964 0.836 -34.816 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.713 2.391 -35.583 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.376 1.668 -36.184 1.00 0.00 H new ATOM 0 HG3 MET A 89 -8.722 0.090 -35.504 1.00 0.00 H new ATOM 0 HE1 MET A 89 -9.822 1.849 -39.467 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.116 2.295 -38.328 1.00 0.00 H new ATOM 0 HE3 MET A 89 -9.425 2.716 -37.964 1.00 0.00 H new ATOM 1409 N THR A 90 -8.902 0.177 -32.567 1.00 0.00 N ATOM 1410 CA THR A 90 -7.968 -0.834 -32.174 1.00 0.00 C ATOM 1411 C THR A 90 -7.472 -1.637 -33.388 1.00 0.00 C ATOM 1412 O THR A 90 -8.205 -1.812 -34.354 1.00 0.00 O ATOM 1413 CB THR A 90 -8.667 -1.734 -31.184 1.00 0.00 C ATOM 1414 OG1 THR A 90 -10.075 -1.512 -31.338 1.00 0.00 O ATOM 1415 CG2 THR A 90 -8.280 -1.369 -29.788 1.00 0.00 C ATOM 0 H THR A 90 -9.865 -0.010 -32.287 1.00 0.00 H new ATOM 0 HA THR A 90 -7.088 -0.377 -31.721 1.00 0.00 H new ATOM 0 HB THR A 90 -8.395 -2.774 -31.363 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.560 -2.340 -31.142 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.792 -2.026 -29.085 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.202 -1.479 -29.669 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.563 -0.335 -29.590 1.00 0.00 H new ATOM 1423 N VAL A 91 -6.224 -2.091 -33.329 1.00 0.00 N ATOM 1424 CA VAL A 91 -5.586 -2.902 -34.392 1.00 0.00 C ATOM 1425 C VAL A 91 -6.457 -4.110 -34.769 1.00 0.00 C ATOM 1426 O VAL A 91 -6.668 -4.401 -35.956 1.00 0.00 O ATOM 1427 CB VAL A 91 -4.196 -3.404 -33.910 1.00 0.00 C ATOM 1428 CG1 VAL A 91 -3.596 -4.429 -34.851 1.00 0.00 C ATOM 1429 CG2 VAL A 91 -3.232 -2.263 -33.758 1.00 0.00 C ATOM 0 H VAL A 91 -5.609 -1.910 -32.536 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.470 -2.270 -35.272 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.364 -3.878 -32.943 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.626 -4.748 -34.470 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.260 -5.291 -34.921 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.470 -3.986 -35.839 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.268 -2.644 -33.420 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.108 -1.761 -34.718 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.619 -1.554 -33.026 1.00 0.00 H new ATOM 1439 N ASP A 92 -6.989 -4.765 -33.757 1.00 0.00 N ATOM 1440 CA ASP A 92 -7.847 -5.941 -33.933 1.00 0.00 C ATOM 1441 C ASP A 92 -9.109 -5.567 -34.685 1.00 0.00 C ATOM 1442 O ASP A 92 -9.575 -6.291 -35.550 1.00 0.00 O ATOM 1443 CB ASP A 92 -8.204 -6.539 -32.565 1.00 0.00 C ATOM 1444 CG ASP A 92 -9.225 -7.657 -32.640 1.00 0.00 C ATOM 1445 OD1 ASP A 92 -8.875 -8.777 -33.038 1.00 0.00 O ATOM 1446 OD2 ASP A 92 -10.391 -7.425 -32.283 1.00 0.00 O ATOM 0 H ASP A 92 -6.844 -4.503 -32.782 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.305 -6.686 -34.515 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.296 -6.918 -32.095 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.590 -5.748 -31.921 1.00 0.00 H new ATOM 1451 N ASP A 93 -9.586 -4.379 -34.413 1.00 0.00 N ATOM 1452 CA ASP A 93 -10.813 -3.875 -34.999 1.00 0.00 C ATOM 1453 C ASP A 93 -10.536 -3.219 -36.335 1.00 0.00 C ATOM 1454 O ASP A 93 -11.453 -2.798 -37.049 1.00 0.00 O ATOM 1455 CB ASP A 93 -11.540 -2.931 -34.028 1.00 0.00 C ATOM 1456 CG ASP A 93 -12.057 -3.670 -32.799 1.00 0.00 C ATOM 1457 OD1 ASP A 93 -13.106 -4.333 -32.877 1.00 0.00 O ATOM 1458 OD2 ASP A 93 -11.405 -3.642 -31.741 1.00 0.00 O ATOM 0 H ASP A 93 -9.134 -3.725 -33.774 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.481 -4.716 -35.183 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -10.861 -2.138 -33.716 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.374 -2.453 -34.542 1.00 0.00 H new ATOM 1463 N TYR A 94 -9.272 -3.165 -36.676 1.00 0.00 N ATOM 1464 CA TYR A 94 -8.820 -2.648 -37.933 1.00 0.00 C ATOM 1465 C TYR A 94 -8.665 -3.744 -38.945 1.00 0.00 C ATOM 1466 O TYR A 94 -9.347 -3.746 -39.974 1.00 0.00 O ATOM 1467 CB TYR A 94 -7.500 -1.914 -37.763 1.00 0.00 C ATOM 1468 CG TYR A 94 -6.829 -1.490 -39.053 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -7.396 -0.538 -39.880 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -5.606 -2.030 -39.416 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -6.765 -0.138 -41.031 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -4.968 -1.639 -40.570 1.00 0.00 C ATOM 1473 CZ TYR A 94 -5.551 -0.691 -41.374 1.00 0.00 C ATOM 1474 OH TYR A 94 -4.921 -0.285 -42.520 1.00 0.00 O ATOM 0 H TYR A 94 -8.517 -3.487 -36.071 1.00 0.00 H new ATOM 0 HA TYR A 94 -9.574 -1.949 -38.294 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.671 -1.027 -37.152 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.814 -2.555 -37.209 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.349 -0.103 -39.616 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.145 -2.772 -38.781 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.219 0.608 -41.666 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.017 -2.074 -40.841 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.075 -0.770 -42.618 1.00 0.00 H new ATOM 1484 N PHE A 95 -7.782 -4.677 -38.649 1.00 0.00 N ATOM 1485 CA PHE A 95 -7.464 -5.771 -39.563 1.00 0.00 C ATOM 1486 C PHE A 95 -8.664 -6.595 -39.943 1.00 0.00 C ATOM 1487 O PHE A 95 -8.731 -7.119 -41.042 1.00 0.00 O ATOM 1488 CB PHE A 95 -6.350 -6.651 -39.036 1.00 0.00 C ATOM 1489 CG PHE A 95 -5.000 -6.012 -39.122 1.00 0.00 C ATOM 1490 CD1 PHE A 95 -4.549 -5.493 -40.326 1.00 0.00 C ATOM 1491 CD2 PHE A 95 -4.173 -5.942 -38.020 1.00 0.00 C ATOM 1492 CE1 PHE A 95 -3.309 -4.915 -40.420 1.00 0.00 C ATOM 1493 CE2 PHE A 95 -2.928 -5.363 -38.116 1.00 0.00 C ATOM 1494 CZ PHE A 95 -2.500 -4.850 -39.315 1.00 0.00 C ATOM 0 H PHE A 95 -7.262 -4.704 -37.772 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.110 -5.291 -40.475 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.558 -6.906 -37.997 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -6.338 -7.586 -39.597 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.182 -5.545 -41.200 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.505 -6.345 -37.075 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.970 -4.512 -41.363 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.288 -5.312 -37.248 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.524 -4.394 -39.388 1.00 0.00 H new ATOM 1504 N ARG A 96 -9.632 -6.646 -39.053 1.00 0.00 N ATOM 1505 CA ARG A 96 -10.879 -7.370 -39.288 1.00 0.00 C ATOM 1506 C ARG A 96 -11.649 -6.847 -40.520 1.00 0.00 C ATOM 1507 O ARG A 96 -12.465 -7.564 -41.095 1.00 0.00 O ATOM 1508 CB ARG A 96 -11.752 -7.394 -38.007 1.00 0.00 C ATOM 1509 CG ARG A 96 -12.153 -6.031 -37.426 1.00 0.00 C ATOM 1510 CD ARG A 96 -13.333 -5.369 -38.129 1.00 0.00 C ATOM 1511 NE ARG A 96 -14.564 -6.146 -38.009 1.00 0.00 N ATOM 1512 CZ ARG A 96 -15.762 -5.653 -37.643 1.00 0.00 C ATOM 1513 NH1 ARG A 96 -15.882 -4.394 -37.207 1.00 0.00 N ATOM 1514 NH2 ARG A 96 -16.829 -6.433 -37.681 1.00 0.00 N ATOM 0 H ARG A 96 -9.584 -6.189 -38.143 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.617 -8.401 -39.526 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -12.662 -7.953 -38.225 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.214 -7.948 -37.238 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.398 -6.157 -36.371 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.294 -5.362 -37.476 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.492 -4.376 -37.708 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.094 -5.234 -39.184 1.00 0.00 H new ATOM 0 HE ARG A 96 -14.512 -7.143 -38.220 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -15.059 -3.794 -37.149 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -16.796 -4.034 -36.933 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -16.742 -7.402 -37.986 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -17.740 -6.065 -37.405 1.00 0.00 H new ATOM 1528 N GLN A 97 -11.365 -5.611 -40.927 1.00 0.00 N ATOM 1529 CA GLN A 97 -12.019 -5.010 -42.086 1.00 0.00 C ATOM 1530 C GLN A 97 -11.326 -5.488 -43.342 1.00 0.00 C ATOM 1531 O GLN A 97 -11.962 -5.940 -44.289 1.00 0.00 O ATOM 1532 CB GLN A 97 -11.910 -3.495 -42.032 1.00 0.00 C ATOM 1533 CG GLN A 97 -12.398 -2.884 -40.747 1.00 0.00 C ATOM 1534 CD GLN A 97 -12.142 -1.408 -40.699 1.00 0.00 C ATOM 1535 OE1 GLN A 97 -12.980 -0.598 -41.096 1.00 0.00 O ATOM 1536 NE2 GLN A 97 -10.983 -1.051 -40.253 1.00 0.00 N ATOM 0 H GLN A 97 -10.684 -5.005 -40.469 1.00 0.00 H new ATOM 0 HA GLN A 97 -13.070 -5.299 -42.084 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.868 -3.212 -42.182 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.478 -3.072 -42.860 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.466 -3.071 -40.638 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.903 -3.366 -39.904 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -10.320 -1.757 -39.934 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.732 -0.063 -40.220 1.00 0.00 H new