USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 758 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 66 SER OG : rot 180:sc= -0.465 USER MOD Set 1.2: A 68 TYR OH : rot -45:sc= 0.49 USER MOD Set 2.1: A 58 SER OG : rot -100:sc= 1.25 USER MOD Set 2.2: A 67 HIS : no HD1:sc= 0.0599 K(o=1.3,f=-2.6) USER MOD Set 3.1: A 38 GLN : amide:sc= -0.642 X(o=-0.89,f=-0.97) USER MOD Set 3.2: A 42 MET CE :methyl -167:sc= -0.245 (180deg=-0.35) USER MOD Set 4.1: A 22 TYR OH : rot 71:sc= -0.0791 USER MOD Set 4.2: A 55 TYR OH : rot 180:sc= 0.0292 USER MOD Single : A 15 SER OG : rot 180:sc= 0.00471 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -44:sc= 0.0881 USER MOD Single : A 23 MET CE :methyl -138:sc= -0.357 (180deg=-2.13!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc=-0.00447 K(o=-0.0045,f=-0.99) USER MOD Single : A 32 GLN : amide:sc= -0.0913 X(o=-0.091,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -1.45 K(o=-1.4,f=0) USER MOD Single : A 40 HIS : no HD1:sc= -1.17 X(o=-1.2,f=-1.6) USER MOD Single : A 48 SER OG : rot 170:sc= 0 USER MOD Single : A 60 SER OG : rot 76:sc= 0.902 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 63 SER OG : rot -50:sc= 0.34 USER MOD Single : A 71 ASN : amide:sc= -0.41 X(o=-0.41,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -3.15 K(o=-3.2,f=-6!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.188 K(o=-0.19,f=-2.3) USER MOD Single : A 87 HIS : no HD1:sc= -9.36! C(o=-9.4!,f=-12!) USER MOD Single : A 95 TYR OH : rot 30:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HE2:sc= -4.64! K(o=-4.6!,f=-2.1) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -40:sc= 0.16 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.00211 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 11 -4.590 12.785 -5.002 1.00 0.00 N ATOM 106 CA ALA A 11 -4.650 11.345 -4.783 1.00 0.00 C ATOM 107 C ALA A 11 -5.374 10.645 -5.928 1.00 0.00 C ATOM 108 O ALA A 11 -6.318 9.887 -5.707 1.00 0.00 O ATOM 109 CB ALA A 11 -5.336 11.041 -3.459 1.00 0.00 C ATOM 0 HA ALA A 11 -3.629 10.965 -4.747 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.374 9.962 -3.308 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.776 11.502 -2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.350 11.441 -3.474 1.00 0.00 H new ATOM 115 N ARG A 12 -4.925 10.905 -7.152 1.00 0.00 N ATOM 116 CA ARG A 12 -5.531 10.301 -8.332 1.00 0.00 C ATOM 117 C ARG A 12 -4.605 9.254 -8.944 1.00 0.00 C ATOM 118 O ARG A 12 -3.756 9.571 -9.777 1.00 0.00 O ATOM 119 CB ARG A 12 -5.858 11.376 -9.370 1.00 0.00 C ATOM 120 CG ARG A 12 -7.189 12.069 -9.130 1.00 0.00 C ATOM 121 CD ARG A 12 -8.359 11.128 -9.369 1.00 0.00 C ATOM 122 NE ARG A 12 -9.633 11.840 -9.425 1.00 0.00 N ATOM 123 CZ ARG A 12 -10.813 11.233 -9.470 1.00 0.00 C ATOM 124 NH1 ARG A 12 -10.882 9.909 -9.466 1.00 0.00 N ATOM 125 NH2 ARG A 12 -11.928 11.950 -9.520 1.00 0.00 N ATOM 0 H ARG A 12 -4.144 11.530 -7.352 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.454 9.809 -8.024 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.064 12.123 -9.370 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.868 10.921 -10.361 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.226 12.444 -8.107 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.275 12.933 -9.790 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.205 10.588 -10.303 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.394 10.384 -8.573 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.615 12.860 -9.430 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.027 9.354 -9.428 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.790 9.446 -9.501 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.879 12.969 -9.524 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.834 11.482 -9.555 1.00 0.00 H new ATOM 139 N PHE A 13 -4.774 8.004 -8.524 1.00 0.00 N ATOM 140 CA PHE A 13 -3.952 6.910 -9.029 1.00 0.00 C ATOM 141 C PHE A 13 -4.734 5.600 -9.032 1.00 0.00 C ATOM 142 O PHE A 13 -5.817 5.509 -8.453 1.00 0.00 O ATOM 143 CB PHE A 13 -2.688 6.761 -8.181 1.00 0.00 C ATOM 144 CG PHE A 13 -2.966 6.451 -6.738 1.00 0.00 C ATOM 145 CD1 PHE A 13 -3.183 7.471 -5.826 1.00 0.00 C ATOM 146 CD2 PHE A 13 -3.013 5.139 -6.293 1.00 0.00 C ATOM 147 CE1 PHE A 13 -3.439 7.189 -4.497 1.00 0.00 C ATOM 148 CE2 PHE A 13 -3.269 4.851 -4.966 1.00 0.00 C ATOM 149 CZ PHE A 13 -3.483 5.877 -4.067 1.00 0.00 C ATOM 0 H PHE A 13 -5.472 7.724 -7.836 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.667 7.145 -10.055 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.069 5.968 -8.602 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -2.109 7.683 -8.241 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.152 8.499 -6.157 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.848 4.332 -6.992 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.604 7.994 -3.796 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.302 3.824 -4.632 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.684 5.654 -3.030 1.00 0.00 H new ATOM 159 N ASP A 14 -4.178 4.587 -9.688 1.00 0.00 N ATOM 160 CA ASP A 14 -4.821 3.281 -9.766 1.00 0.00 C ATOM 161 C ASP A 14 -4.435 2.412 -8.573 1.00 0.00 C ATOM 162 O ASP A 14 -3.254 2.248 -8.269 1.00 0.00 O ATOM 163 CB ASP A 14 -4.439 2.578 -11.070 1.00 0.00 C ATOM 164 CG ASP A 14 -4.741 3.422 -12.293 1.00 0.00 C ATOM 165 OD1 ASP A 14 -5.837 4.018 -12.345 1.00 0.00 O ATOM 166 OD2 ASP A 14 -3.882 3.485 -13.197 1.00 0.00 O ATOM 0 H ASP A 14 -3.283 4.646 -10.174 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.900 3.433 -9.747 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.376 2.337 -11.052 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.978 1.634 -11.142 1.00 0.00 H new ATOM 171 N SER A 15 -5.440 1.860 -7.901 1.00 0.00 N ATOM 172 CA SER A 15 -5.206 1.012 -6.737 1.00 0.00 C ATOM 173 C SER A 15 -5.165 -0.460 -7.138 1.00 0.00 C ATOM 174 O SER A 15 -4.562 -1.285 -6.451 1.00 0.00 O ATOM 175 CB SER A 15 -6.296 1.237 -5.688 1.00 0.00 C ATOM 176 OG SER A 15 -7.586 1.156 -6.268 1.00 0.00 O ATOM 0 H SER A 15 -6.423 1.984 -8.142 1.00 0.00 H new ATOM 0 HA SER A 15 -4.240 1.282 -6.309 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.202 0.494 -4.896 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.163 2.215 -5.225 1.00 0.00 H new ATOM 0 HG SER A 15 -8.265 1.302 -5.577 1.00 0.00 H new ATOM 182 N SER A 16 -5.812 -0.781 -8.253 1.00 0.00 N ATOM 183 CA SER A 16 -5.854 -2.154 -8.744 1.00 0.00 C ATOM 184 C SER A 16 -4.581 -2.495 -9.513 1.00 0.00 C ATOM 185 O SER A 16 -4.054 -3.602 -9.404 1.00 0.00 O ATOM 186 CB SER A 16 -7.076 -2.360 -9.641 1.00 0.00 C ATOM 187 OG SER A 16 -7.089 -1.426 -10.707 1.00 0.00 O ATOM 0 H SER A 16 -6.314 -0.110 -8.834 1.00 0.00 H new ATOM 0 HA SER A 16 -5.927 -2.819 -7.884 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.070 -3.374 -10.042 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.986 -2.256 -9.051 1.00 0.00 H new ATOM 0 HG SER A 16 -7.879 -1.579 -11.267 1.00 0.00 H new ATOM 193 N ASP A 17 -4.092 -1.535 -10.291 1.00 0.00 N ATOM 194 CA ASP A 17 -2.880 -1.731 -11.078 1.00 0.00 C ATOM 195 C ASP A 17 -1.690 -2.040 -10.176 1.00 0.00 C ATOM 196 O ASP A 17 -0.999 -1.134 -9.711 1.00 0.00 O ATOM 197 CB ASP A 17 -2.588 -0.490 -11.922 1.00 0.00 C ATOM 198 CG ASP A 17 -1.462 -0.715 -12.911 1.00 0.00 C ATOM 199 OD1 ASP A 17 -1.309 -1.859 -13.386 1.00 0.00 O ATOM 200 OD2 ASP A 17 -0.732 0.254 -13.211 1.00 0.00 O ATOM 0 H ASP A 17 -4.517 -0.613 -10.393 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.040 -2.581 -11.741 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.490 -0.201 -12.462 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.330 0.340 -11.265 1.00 0.00 H new ATOM 205 N ARG A 18 -1.458 -3.326 -9.931 1.00 0.00 N ATOM 206 CA ARG A 18 -0.353 -3.754 -9.082 1.00 0.00 C ATOM 207 C ARG A 18 0.983 -3.279 -9.646 1.00 0.00 C ATOM 208 O ARG A 18 1.914 -2.982 -8.899 1.00 0.00 O ATOM 209 CB ARG A 18 -0.347 -5.278 -8.945 1.00 0.00 C ATOM 210 CG ARG A 18 -1.153 -5.786 -7.761 1.00 0.00 C ATOM 211 CD ARG A 18 -1.744 -7.160 -8.037 1.00 0.00 C ATOM 212 NE ARG A 18 -2.845 -7.474 -7.131 1.00 0.00 N ATOM 213 CZ ARG A 18 -3.653 -8.517 -7.290 1.00 0.00 C ATOM 214 NH1 ARG A 18 -3.484 -9.340 -8.316 1.00 0.00 N ATOM 215 NH2 ARG A 18 -4.633 -8.737 -6.423 1.00 0.00 N ATOM 0 H ARG A 18 -2.020 -4.089 -10.308 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.492 -3.308 -8.097 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.744 -5.718 -9.860 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.683 -5.622 -8.847 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.515 -5.834 -6.879 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.955 -5.082 -7.537 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.099 -7.202 -9.067 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.965 -7.916 -7.937 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.003 -6.859 -6.332 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.733 -9.173 -8.985 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.105 -10.140 -8.436 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.767 -8.105 -5.633 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.253 -9.538 -6.546 1.00 0.00 H new ATOM 229 N SER A 19 1.068 -3.209 -10.971 1.00 0.00 N ATOM 230 CA SER A 19 2.291 -2.774 -11.637 1.00 0.00 C ATOM 231 C SER A 19 2.489 -1.270 -11.480 1.00 0.00 C ATOM 232 O SER A 19 3.426 -0.695 -12.032 1.00 0.00 O ATOM 233 CB SER A 19 2.247 -3.142 -13.121 1.00 0.00 C ATOM 234 OG SER A 19 3.549 -3.160 -13.681 1.00 0.00 O ATOM 0 H SER A 19 0.305 -3.448 -11.604 1.00 0.00 H new ATOM 0 HA SER A 19 3.132 -3.285 -11.168 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.782 -4.120 -13.243 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.626 -2.425 -13.658 1.00 0.00 H new ATOM 0 HG SER A 19 4.045 -2.370 -13.380 1.00 0.00 H new ATOM 240 N ALA A 20 1.598 -0.638 -10.722 1.00 0.00 N ATOM 241 CA ALA A 20 1.675 0.799 -10.490 1.00 0.00 C ATOM 242 C ALA A 20 1.990 1.103 -9.029 1.00 0.00 C ATOM 243 O ALA A 20 2.570 2.141 -8.712 1.00 0.00 O ATOM 244 CB ALA A 20 0.374 1.471 -10.902 1.00 0.00 C ATOM 0 H ALA A 20 0.815 -1.099 -10.259 1.00 0.00 H new ATOM 0 HA ALA A 20 2.486 1.197 -11.100 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.446 2.544 -10.723 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.191 1.291 -11.961 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.449 1.060 -10.317 1.00 0.00 H new ATOM 250 N TRP A 21 1.603 0.192 -8.143 1.00 0.00 N ATOM 251 CA TRP A 21 1.843 0.364 -6.715 1.00 0.00 C ATOM 252 C TRP A 21 2.530 -0.864 -6.127 1.00 0.00 C ATOM 253 O TRP A 21 3.452 -0.744 -5.320 1.00 0.00 O ATOM 254 CB TRP A 21 0.526 0.626 -5.983 1.00 0.00 C ATOM 255 CG TRP A 21 -0.569 -0.321 -6.373 1.00 0.00 C ATOM 256 CD1 TRP A 21 -1.468 -0.161 -7.388 1.00 0.00 C ATOM 257 CD2 TRP A 21 -0.880 -1.573 -5.753 1.00 0.00 C ATOM 258 NE1 TRP A 21 -2.320 -1.238 -7.436 1.00 0.00 N ATOM 259 CE2 TRP A 21 -1.980 -2.119 -6.444 1.00 0.00 C ATOM 260 CE3 TRP A 21 -0.336 -2.287 -4.682 1.00 0.00 C ATOM 261 CZ2 TRP A 21 -2.544 -3.343 -6.097 1.00 0.00 C ATOM 262 CZ3 TRP A 21 -0.897 -3.503 -4.338 1.00 0.00 C ATOM 263 CH2 TRP A 21 -1.991 -4.021 -5.044 1.00 0.00 C ATOM 0 H TRP A 21 1.122 -0.673 -8.389 1.00 0.00 H new ATOM 0 HA TRP A 21 2.500 1.223 -6.583 1.00 0.00 H new ATOM 0 HB2 TRP A 21 0.695 0.552 -4.909 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.203 1.647 -6.186 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.504 0.687 -8.055 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.082 -1.361 -8.102 1.00 0.00 H new ATOM 0 HE3 TRP A 21 0.508 -1.896 -4.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -3.388 -3.744 -6.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -0.485 -4.063 -3.511 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -2.406 -4.974 -4.752 1.00 0.00 H new ATOM 274 N TYR A 22 2.075 -2.044 -6.536 1.00 0.00 N ATOM 275 CA TYR A 22 2.645 -3.293 -6.047 1.00 0.00 C ATOM 276 C TYR A 22 3.999 -3.565 -6.697 1.00 0.00 C ATOM 277 O TYR A 22 4.074 -3.958 -7.860 1.00 0.00 O ATOM 278 CB TYR A 22 1.691 -4.456 -6.325 1.00 0.00 C ATOM 279 CG TYR A 22 2.233 -5.800 -5.894 1.00 0.00 C ATOM 280 CD1 TYR A 22 2.642 -6.020 -4.584 1.00 0.00 C ATOM 281 CD2 TYR A 22 2.336 -6.852 -6.797 1.00 0.00 C ATOM 282 CE1 TYR A 22 3.138 -7.246 -4.187 1.00 0.00 C ATOM 283 CE2 TYR A 22 2.830 -8.082 -6.408 1.00 0.00 C ATOM 284 CZ TYR A 22 3.231 -8.274 -5.102 1.00 0.00 C ATOM 285 OH TYR A 22 3.723 -9.497 -4.710 1.00 0.00 O ATOM 0 H TYR A 22 1.314 -2.161 -7.205 1.00 0.00 H new ATOM 0 HA TYR A 22 2.791 -3.200 -4.971 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.748 -4.272 -5.811 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.471 -4.488 -7.392 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.571 -5.218 -3.864 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.024 -6.705 -7.821 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.452 -7.399 -3.165 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.902 -8.889 -7.122 1.00 0.00 H new ATOM 0 HH TYR A 22 3.070 -9.942 -4.131 1.00 0.00 H new ATOM 295 N MET A 23 5.067 -3.354 -5.934 1.00 0.00 N ATOM 296 CA MET A 23 6.418 -3.578 -6.433 1.00 0.00 C ATOM 297 C MET A 23 6.868 -5.010 -6.161 1.00 0.00 C ATOM 298 O MET A 23 8.047 -5.337 -6.296 1.00 0.00 O ATOM 299 CB MET A 23 7.394 -2.593 -5.786 1.00 0.00 C ATOM 300 CG MET A 23 6.844 -1.180 -5.670 1.00 0.00 C ATOM 301 SD MET A 23 7.241 -0.161 -7.104 1.00 0.00 S ATOM 302 CE MET A 23 6.031 1.148 -6.934 1.00 0.00 C ATOM 0 H MET A 23 5.022 -3.028 -4.968 1.00 0.00 H new ATOM 0 HA MET A 23 6.411 -3.417 -7.511 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.657 -2.955 -4.792 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.314 -2.569 -6.370 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.762 -1.224 -5.549 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.246 -0.710 -4.772 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.611 1.384 -7.912 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.234 0.822 -6.266 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.511 2.035 -6.521 1.00 0.00 H new ATOM 312 N GLY A 24 5.921 -5.861 -5.778 1.00 0.00 N ATOM 313 CA GLY A 24 6.240 -7.247 -5.493 1.00 0.00 C ATOM 314 C GLY A 24 7.734 -7.496 -5.426 1.00 0.00 C ATOM 315 O GLY A 24 8.334 -7.519 -4.351 1.00 0.00 O ATOM 0 H GLY A 24 4.938 -5.615 -5.660 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.784 -7.534 -4.546 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.803 -7.883 -6.263 1.00 0.00 H new ATOM 319 N PRO A 25 8.358 -7.691 -6.597 1.00 0.00 N ATOM 320 CA PRO A 25 9.799 -7.944 -6.694 1.00 0.00 C ATOM 321 C PRO A 25 10.629 -6.714 -6.344 1.00 0.00 C ATOM 322 O PRO A 25 11.154 -6.035 -7.227 1.00 0.00 O ATOM 323 CB PRO A 25 9.994 -8.321 -8.165 1.00 0.00 C ATOM 324 CG PRO A 25 8.863 -7.665 -8.878 1.00 0.00 C ATOM 325 CD PRO A 25 7.706 -7.677 -7.918 1.00 0.00 C ATOM 0 HA PRO A 25 10.126 -8.714 -5.995 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.955 -7.969 -8.540 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.975 -9.402 -8.302 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.121 -6.646 -9.165 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.616 -8.201 -9.794 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.071 -6.800 -8.043 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.073 -8.552 -8.063 1.00 0.00 H new ATOM 333 N VAL A 26 10.743 -6.431 -5.050 1.00 0.00 N ATOM 334 CA VAL A 26 11.511 -5.283 -4.584 1.00 0.00 C ATOM 335 C VAL A 26 12.178 -5.576 -3.244 1.00 0.00 C ATOM 336 O VAL A 26 11.617 -6.273 -2.399 1.00 0.00 O ATOM 337 CB VAL A 26 10.622 -4.034 -4.440 1.00 0.00 C ATOM 338 CG1 VAL A 26 11.185 -3.096 -3.384 1.00 0.00 C ATOM 339 CG2 VAL A 26 10.483 -3.323 -5.777 1.00 0.00 C ATOM 0 H VAL A 26 10.313 -6.981 -4.306 1.00 0.00 H new ATOM 0 HA VAL A 26 12.278 -5.089 -5.334 1.00 0.00 H new ATOM 0 HB VAL A 26 9.630 -4.351 -4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.543 -2.219 -3.297 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.227 -3.612 -2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.189 -2.784 -3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.852 -2.443 -5.657 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.468 -3.018 -6.131 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.030 -3.998 -6.503 1.00 0.00 H new ATOM 349 N SER A 27 13.379 -5.037 -3.057 1.00 0.00 N ATOM 350 CA SER A 27 14.124 -5.243 -1.821 1.00 0.00 C ATOM 351 C SER A 27 13.805 -4.150 -0.805 1.00 0.00 C ATOM 352 O SER A 27 13.460 -3.027 -1.174 1.00 0.00 O ATOM 353 CB SER A 27 15.627 -5.268 -2.105 1.00 0.00 C ATOM 354 OG SER A 27 15.953 -6.281 -3.041 1.00 0.00 O ATOM 0 H SER A 27 13.856 -4.455 -3.745 1.00 0.00 H new ATOM 0 HA SER A 27 13.824 -6.203 -1.401 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.944 -4.298 -2.489 1.00 0.00 H new ATOM 0 HB3 SER A 27 16.173 -5.437 -1.177 1.00 0.00 H new ATOM 0 HG SER A 27 16.919 -6.275 -3.207 1.00 0.00 H new ATOM 360 N ARG A 28 13.923 -4.487 0.475 1.00 0.00 N ATOM 361 CA ARG A 28 13.646 -3.536 1.544 1.00 0.00 C ATOM 362 C ARG A 28 14.500 -2.281 1.390 1.00 0.00 C ATOM 363 O ARG A 28 13.995 -1.162 1.473 1.00 0.00 O ATOM 364 CB ARG A 28 13.906 -4.179 2.908 1.00 0.00 C ATOM 365 CG ARG A 28 13.508 -3.300 4.082 1.00 0.00 C ATOM 366 CD ARG A 28 13.693 -4.022 5.407 1.00 0.00 C ATOM 367 NE ARG A 28 13.500 -3.131 6.548 1.00 0.00 N ATOM 368 CZ ARG A 28 12.308 -2.810 7.037 1.00 0.00 C ATOM 369 NH1 ARG A 28 11.207 -3.305 6.487 1.00 0.00 N ATOM 370 NH2 ARG A 28 12.214 -1.993 8.078 1.00 0.00 N ATOM 0 H ARG A 28 14.209 -5.412 0.797 1.00 0.00 H new ATOM 0 HA ARG A 28 12.596 -3.250 1.479 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.358 -5.119 2.967 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.965 -4.422 2.990 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.107 -2.390 4.076 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.467 -2.997 3.974 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.987 -4.850 5.470 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.694 -4.453 5.449 1.00 0.00 H new ATOM 0 HE ARG A 28 14.327 -2.733 6.994 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.275 -3.934 5.687 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.292 -3.057 6.864 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.058 -1.610 8.504 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.298 -1.747 8.452 1.00 0.00 H new ATOM 384 N GLN A 29 15.795 -2.477 1.167 1.00 0.00 N ATOM 385 CA GLN A 29 16.719 -1.360 1.003 1.00 0.00 C ATOM 386 C GLN A 29 16.327 -0.502 -0.196 1.00 0.00 C ATOM 387 O GLN A 29 16.533 0.711 -0.195 1.00 0.00 O ATOM 388 CB GLN A 29 18.149 -1.875 0.831 1.00 0.00 C ATOM 389 CG GLN A 29 18.353 -2.694 -0.434 1.00 0.00 C ATOM 390 CD GLN A 29 19.808 -2.770 -0.852 1.00 0.00 C ATOM 391 OE1 GLN A 29 20.701 -2.363 -0.108 1.00 0.00 O ATOM 392 NE2 GLN A 29 20.055 -3.293 -2.047 1.00 0.00 N ATOM 0 H GLN A 29 16.228 -3.398 1.096 1.00 0.00 H new ATOM 0 HA GLN A 29 16.668 -0.743 1.900 1.00 0.00 H new ATOM 0 HB2 GLN A 29 18.833 -1.026 0.819 1.00 0.00 H new ATOM 0 HB3 GLN A 29 18.413 -2.485 1.695 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.972 -3.703 -0.275 1.00 0.00 H new ATOM 0 HG3 GLN A 29 17.769 -2.257 -1.244 1.00 0.00 H new ATOM 0 HE21 GLN A 29 19.284 -3.618 -2.631 1.00 0.00 H new ATOM 0 HE22 GLN A 29 21.016 -3.370 -2.381 1.00 0.00 H new ATOM 401 N GLU A 30 15.763 -1.140 -1.216 1.00 0.00 N ATOM 402 CA GLU A 30 15.344 -0.434 -2.421 1.00 0.00 C ATOM 403 C GLU A 30 14.141 0.461 -2.136 1.00 0.00 C ATOM 404 O GLU A 30 14.252 1.687 -2.135 1.00 0.00 O ATOM 405 CB GLU A 30 15.001 -1.430 -3.530 1.00 0.00 C ATOM 406 CG GLU A 30 14.820 -0.785 -4.893 1.00 0.00 C ATOM 407 CD GLU A 30 15.199 -1.711 -6.033 1.00 0.00 C ATOM 408 OE1 GLU A 30 16.191 -2.455 -5.887 1.00 0.00 O ATOM 409 OE2 GLU A 30 14.503 -1.692 -7.070 1.00 0.00 O ATOM 0 H GLU A 30 15.586 -2.144 -1.232 1.00 0.00 H new ATOM 0 HA GLU A 30 16.172 0.193 -2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.792 -2.177 -3.593 1.00 0.00 H new ATOM 0 HB3 GLU A 30 14.085 -1.957 -3.263 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.781 -0.478 -5.010 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.428 0.118 -4.947 1.00 0.00 H new ATOM 416 N ALA A 31 12.992 -0.161 -1.897 1.00 0.00 N ATOM 417 CA ALA A 31 11.768 0.577 -1.610 1.00 0.00 C ATOM 418 C ALA A 31 12.063 1.833 -0.797 1.00 0.00 C ATOM 419 O ALA A 31 11.366 2.840 -0.919 1.00 0.00 O ATOM 420 CB ALA A 31 10.776 -0.310 -0.873 1.00 0.00 C ATOM 0 H ALA A 31 12.883 -1.175 -1.896 1.00 0.00 H new ATOM 0 HA ALA A 31 11.328 0.884 -2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.867 0.255 -0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.533 -1.175 -1.490 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.216 -0.646 0.066 1.00 0.00 H new ATOM 426 N GLN A 32 13.100 1.766 0.032 1.00 0.00 N ATOM 427 CA GLN A 32 13.485 2.899 0.866 1.00 0.00 C ATOM 428 C GLN A 32 14.051 4.032 0.017 1.00 0.00 C ATOM 429 O GLN A 32 13.662 5.191 0.168 1.00 0.00 O ATOM 430 CB GLN A 32 14.515 2.463 1.909 1.00 0.00 C ATOM 431 CG GLN A 32 13.897 1.854 3.157 1.00 0.00 C ATOM 432 CD GLN A 32 14.785 1.997 4.378 1.00 0.00 C ATOM 433 OE1 GLN A 32 15.213 1.004 4.967 1.00 0.00 O ATOM 434 NE2 GLN A 32 15.066 3.236 4.764 1.00 0.00 N ATOM 0 H GLN A 32 13.688 0.940 0.144 1.00 0.00 H new ATOM 0 HA GLN A 32 12.593 3.263 1.376 1.00 0.00 H new ATOM 0 HB2 GLN A 32 15.192 1.737 1.458 1.00 0.00 H new ATOM 0 HB3 GLN A 32 15.117 3.325 2.196 1.00 0.00 H new ATOM 0 HG2 GLN A 32 12.937 2.332 3.353 1.00 0.00 H new ATOM 0 HG3 GLN A 32 13.697 0.797 2.980 1.00 0.00 H new ATOM 0 HE21 GLN A 32 14.689 4.030 4.246 1.00 0.00 H new ATOM 0 HE22 GLN A 32 15.659 3.394 5.579 1.00 0.00 H new ATOM 443 N THR A 33 14.974 3.691 -0.878 1.00 0.00 N ATOM 444 CA THR A 33 15.595 4.680 -1.750 1.00 0.00 C ATOM 445 C THR A 33 14.558 5.360 -2.637 1.00 0.00 C ATOM 446 O THR A 33 14.754 6.490 -3.083 1.00 0.00 O ATOM 447 CB THR A 33 16.677 4.041 -2.642 1.00 0.00 C ATOM 448 OG1 THR A 33 17.438 5.063 -3.296 1.00 0.00 O ATOM 449 CG2 THR A 33 16.050 3.125 -3.681 1.00 0.00 C ATOM 0 H THR A 33 15.308 2.737 -1.017 1.00 0.00 H new ATOM 0 HA THR A 33 16.060 5.424 -1.103 1.00 0.00 H new ATOM 0 HB THR A 33 17.336 3.447 -2.008 1.00 0.00 H new ATOM 0 HG1 THR A 33 18.125 4.649 -3.860 1.00 0.00 H new ATOM 0 HG21 THR A 33 16.833 2.686 -4.299 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.496 2.332 -3.180 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.371 3.700 -4.311 1.00 0.00 H new ATOM 457 N ARG A 34 13.454 4.664 -2.888 1.00 0.00 N ATOM 458 CA ARG A 34 12.386 5.201 -3.722 1.00 0.00 C ATOM 459 C ARG A 34 11.495 6.147 -2.923 1.00 0.00 C ATOM 460 O ARG A 34 10.971 7.125 -3.458 1.00 0.00 O ATOM 461 CB ARG A 34 11.545 4.064 -4.307 1.00 0.00 C ATOM 462 CG ARG A 34 12.339 2.796 -4.574 1.00 0.00 C ATOM 463 CD ARG A 34 11.576 1.842 -5.481 1.00 0.00 C ATOM 464 NE ARG A 34 11.814 2.123 -6.894 1.00 0.00 N ATOM 465 CZ ARG A 34 11.050 2.931 -7.621 1.00 0.00 C ATOM 466 NH1 ARG A 34 10.006 3.534 -7.071 1.00 0.00 N ATOM 467 NH2 ARG A 34 11.330 3.136 -8.902 1.00 0.00 N ATOM 0 H ARG A 34 13.276 3.727 -2.526 1.00 0.00 H new ATOM 0 HA ARG A 34 12.844 5.762 -4.537 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.731 3.835 -3.620 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.091 4.401 -5.239 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.293 3.053 -5.034 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.564 2.300 -3.630 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.873 0.817 -5.260 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.509 1.917 -5.271 1.00 0.00 H new ATOM 0 HE ARG A 34 12.610 1.675 -7.348 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.787 3.378 -6.087 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.421 4.154 -7.632 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.132 2.673 -9.329 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.743 3.756 -9.459 1.00 0.00 H new ATOM 481 N LEU A 35 11.326 5.849 -1.639 1.00 0.00 N ATOM 482 CA LEU A 35 10.498 6.672 -0.765 1.00 0.00 C ATOM 483 C LEU A 35 11.359 7.463 0.215 1.00 0.00 C ATOM 484 O LEU A 35 10.845 8.097 1.136 1.00 0.00 O ATOM 485 CB LEU A 35 9.505 5.797 0.002 1.00 0.00 C ATOM 486 CG LEU A 35 8.631 4.873 -0.846 1.00 0.00 C ATOM 487 CD1 LEU A 35 8.005 3.789 0.018 1.00 0.00 C ATOM 488 CD2 LEU A 35 7.555 5.670 -1.568 1.00 0.00 C ATOM 0 H LEU A 35 11.752 5.043 -1.180 1.00 0.00 H new ATOM 0 HA LEU A 35 9.947 7.377 -1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.063 5.186 0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.853 6.448 0.585 1.00 0.00 H new ATOM 0 HG LEU A 35 9.262 4.393 -1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.386 3.141 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.792 3.199 0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.388 4.250 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.943 4.996 -2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.926 6.178 -0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.024 6.408 -2.219 1.00 0.00 H new ATOM 500 N GLN A 36 12.671 7.422 0.009 1.00 0.00 N ATOM 501 CA GLN A 36 13.603 8.135 0.873 1.00 0.00 C ATOM 502 C GLN A 36 13.805 9.568 0.391 1.00 0.00 C ATOM 503 O GLN A 36 14.374 9.800 -0.675 1.00 0.00 O ATOM 504 CB GLN A 36 14.948 7.407 0.922 1.00 0.00 C ATOM 505 CG GLN A 36 16.066 8.233 1.537 1.00 0.00 C ATOM 506 CD GLN A 36 15.954 8.334 3.046 1.00 0.00 C ATOM 507 OE1 GLN A 36 16.712 7.699 3.779 1.00 0.00 O ATOM 508 NE2 GLN A 36 15.007 9.136 3.517 1.00 0.00 N ATOM 0 H GLN A 36 13.113 6.902 -0.749 1.00 0.00 H new ATOM 0 HA GLN A 36 13.178 8.164 1.876 1.00 0.00 H new ATOM 0 HB2 GLN A 36 14.832 6.486 1.493 1.00 0.00 H new ATOM 0 HB3 GLN A 36 15.234 7.121 -0.090 1.00 0.00 H new ATOM 0 HG2 GLN A 36 17.027 7.789 1.277 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.051 9.235 1.107 1.00 0.00 H new ATOM 0 HE21 GLN A 36 14.401 9.643 2.872 1.00 0.00 H new ATOM 0 HE22 GLN A 36 14.885 9.245 4.524 1.00 0.00 H new ATOM 517 N GLY A 37 13.335 10.526 1.184 1.00 0.00 N ATOM 518 CA GLY A 37 13.473 11.924 0.820 1.00 0.00 C ATOM 519 C GLY A 37 12.410 12.376 -0.162 1.00 0.00 C ATOM 520 O GLY A 37 12.294 13.565 -0.456 1.00 0.00 O ATOM 0 H GLY A 37 12.861 10.359 2.072 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.417 12.537 1.719 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.459 12.087 0.384 1.00 0.00 H new ATOM 524 N GLN A 38 11.634 11.424 -0.671 1.00 0.00 N ATOM 525 CA GLN A 38 10.577 11.732 -1.627 1.00 0.00 C ATOM 526 C GLN A 38 9.469 12.547 -0.970 1.00 0.00 C ATOM 527 O GLN A 38 9.381 12.619 0.256 1.00 0.00 O ATOM 528 CB GLN A 38 9.999 10.442 -2.212 1.00 0.00 C ATOM 529 CG GLN A 38 10.873 9.817 -3.288 1.00 0.00 C ATOM 530 CD GLN A 38 11.519 10.851 -4.188 1.00 0.00 C ATOM 531 OE1 GLN A 38 12.744 10.962 -4.246 1.00 0.00 O ATOM 532 NE2 GLN A 38 10.697 11.614 -4.898 1.00 0.00 N ATOM 0 H GLN A 38 11.717 10.435 -0.438 1.00 0.00 H new ATOM 0 HA GLN A 38 11.011 12.326 -2.432 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.855 9.720 -1.408 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.015 10.652 -2.631 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.650 9.216 -2.816 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.270 9.140 -3.893 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.688 11.488 -4.819 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.074 12.327 -5.523 1.00 0.00 H new ATOM 541 N ARG A 39 8.625 13.161 -1.793 1.00 0.00 N ATOM 542 CA ARG A 39 7.523 13.973 -1.292 1.00 0.00 C ATOM 543 C ARG A 39 6.624 13.158 -0.366 1.00 0.00 C ATOM 544 O ARG A 39 6.319 11.998 -0.643 1.00 0.00 O ATOM 545 CB ARG A 39 6.702 14.531 -2.455 1.00 0.00 C ATOM 546 CG ARG A 39 6.076 13.457 -3.330 1.00 0.00 C ATOM 547 CD ARG A 39 4.970 14.025 -4.206 1.00 0.00 C ATOM 548 NE ARG A 39 5.500 14.847 -5.291 1.00 0.00 N ATOM 549 CZ ARG A 39 4.757 15.678 -6.012 1.00 0.00 C ATOM 550 NH1 ARG A 39 3.460 15.799 -5.765 1.00 0.00 N ATOM 551 NH2 ARG A 39 5.311 16.393 -6.984 1.00 0.00 N ATOM 0 H ARG A 39 8.684 13.111 -2.810 1.00 0.00 H new ATOM 0 HA ARG A 39 7.945 14.802 -0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.913 15.170 -2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.343 15.162 -3.071 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.844 13.006 -3.959 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.672 12.664 -2.701 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.383 13.208 -4.624 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.294 14.623 -3.595 1.00 0.00 H new ATOM 0 HE ARG A 39 6.495 14.779 -5.506 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.030 15.253 -5.019 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.892 16.439 -6.321 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.309 16.304 -7.177 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.739 17.031 -7.537 1.00 0.00 H new ATOM 565 N HIS A 40 6.205 13.773 0.735 1.00 0.00 N ATOM 566 CA HIS A 40 5.341 13.105 1.702 1.00 0.00 C ATOM 567 C HIS A 40 4.058 12.615 1.037 1.00 0.00 C ATOM 568 O HIS A 40 3.312 13.399 0.452 1.00 0.00 O ATOM 569 CB HIS A 40 5.002 14.051 2.855 1.00 0.00 C ATOM 570 CG HIS A 40 6.142 14.276 3.800 1.00 0.00 C ATOM 571 ND1 HIS A 40 6.040 15.061 4.929 1.00 0.00 N ATOM 572 CD2 HIS A 40 7.413 13.811 3.780 1.00 0.00 C ATOM 573 CE1 HIS A 40 7.200 15.071 5.562 1.00 0.00 C ATOM 574 NE2 HIS A 40 8.050 14.319 4.886 1.00 0.00 N ATOM 0 H HIS A 40 6.450 14.732 0.980 1.00 0.00 H new ATOM 0 HA HIS A 40 5.878 12.242 2.096 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.685 15.010 2.446 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.156 13.646 3.410 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.846 13.162 3.033 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.416 15.603 6.476 1.00 0.00 H new ATOM 0 HE2 HIS A 40 9.021 14.144 5.143 1.00 0.00 H new ATOM 583 N GLY A 41 3.809 11.312 1.131 1.00 0.00 N ATOM 584 CA GLY A 41 2.617 10.740 0.533 1.00 0.00 C ATOM 585 C GLY A 41 2.913 9.486 -0.265 1.00 0.00 C ATOM 586 O GLY A 41 2.202 8.488 -0.152 1.00 0.00 O ATOM 0 H GLY A 41 4.411 10.643 1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.897 10.506 1.317 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.150 11.479 -0.118 1.00 0.00 H new ATOM 590 N MET A 42 3.965 9.538 -1.076 1.00 0.00 N ATOM 591 CA MET A 42 4.352 8.397 -1.897 1.00 0.00 C ATOM 592 C MET A 42 4.161 7.089 -1.136 1.00 0.00 C ATOM 593 O MET A 42 4.232 7.058 0.093 1.00 0.00 O ATOM 594 CB MET A 42 5.810 8.533 -2.342 1.00 0.00 C ATOM 595 CG MET A 42 6.146 7.719 -3.581 1.00 0.00 C ATOM 596 SD MET A 42 7.782 8.097 -4.238 1.00 0.00 S ATOM 597 CE MET A 42 7.501 9.726 -4.927 1.00 0.00 C ATOM 0 H MET A 42 4.564 10.357 -1.182 1.00 0.00 H new ATOM 0 HA MET A 42 3.710 8.381 -2.778 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.025 9.583 -2.538 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.461 8.222 -1.525 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.092 6.658 -3.339 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.397 7.909 -4.350 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.340 10.000 -5.567 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.583 9.719 -5.515 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.408 10.452 -4.119 1.00 0.00 H new ATOM 607 N PHE A 43 3.918 6.011 -1.874 1.00 0.00 N ATOM 608 CA PHE A 43 3.715 4.700 -1.267 1.00 0.00 C ATOM 609 C PHE A 43 3.999 3.586 -2.271 1.00 0.00 C ATOM 610 O PHE A 43 4.174 3.840 -3.464 1.00 0.00 O ATOM 611 CB PHE A 43 2.283 4.574 -0.741 1.00 0.00 C ATOM 612 CG PHE A 43 1.286 4.199 -1.799 1.00 0.00 C ATOM 613 CD1 PHE A 43 1.054 2.869 -2.111 1.00 0.00 C ATOM 614 CD2 PHE A 43 0.580 5.176 -2.482 1.00 0.00 C ATOM 615 CE1 PHE A 43 0.138 2.521 -3.085 1.00 0.00 C ATOM 616 CE2 PHE A 43 -0.339 4.834 -3.457 1.00 0.00 C ATOM 617 CZ PHE A 43 -0.560 3.504 -3.758 1.00 0.00 C ATOM 0 H PHE A 43 3.857 6.019 -2.892 1.00 0.00 H new ATOM 0 HA PHE A 43 4.411 4.601 -0.434 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.260 3.825 0.050 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.985 5.521 -0.292 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.595 2.095 -1.587 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.749 6.217 -2.250 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.032 1.481 -3.320 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.883 5.605 -3.982 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.278 3.234 -4.518 1.00 0.00 H new ATOM 627 N LEU A 44 4.043 2.353 -1.780 1.00 0.00 N ATOM 628 CA LEU A 44 4.306 1.199 -2.633 1.00 0.00 C ATOM 629 C LEU A 44 4.170 -0.101 -1.847 1.00 0.00 C ATOM 630 O LEU A 44 4.467 -0.151 -0.654 1.00 0.00 O ATOM 631 CB LEU A 44 5.707 1.298 -3.240 1.00 0.00 C ATOM 632 CG LEU A 44 6.872 1.037 -2.284 1.00 0.00 C ATOM 633 CD1 LEU A 44 7.000 -0.449 -1.991 1.00 0.00 C ATOM 634 CD2 LEU A 44 8.169 1.581 -2.865 1.00 0.00 C ATOM 0 H LEU A 44 3.900 2.126 -0.796 1.00 0.00 H new ATOM 0 HA LEU A 44 3.569 1.195 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.775 0.589 -4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.828 2.295 -3.665 1.00 0.00 H new ATOM 0 HG LEU A 44 6.671 1.555 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.834 -0.615 -1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.079 -0.810 -1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.178 -0.989 -2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.988 1.387 -2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.375 1.091 -3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.074 2.655 -3.023 1.00 0.00 H new ATOM 646 N VAL A 45 3.722 -1.153 -2.526 1.00 0.00 N ATOM 647 CA VAL A 45 3.550 -2.455 -1.893 1.00 0.00 C ATOM 648 C VAL A 45 4.544 -3.470 -2.444 1.00 0.00 C ATOM 649 O VAL A 45 4.397 -3.951 -3.568 1.00 0.00 O ATOM 650 CB VAL A 45 2.120 -2.992 -2.093 1.00 0.00 C ATOM 651 CG1 VAL A 45 1.879 -4.210 -1.214 1.00 0.00 C ATOM 652 CG2 VAL A 45 1.097 -1.904 -1.803 1.00 0.00 C ATOM 0 H VAL A 45 3.472 -1.128 -3.515 1.00 0.00 H new ATOM 0 HA VAL A 45 3.732 -2.315 -0.827 1.00 0.00 H new ATOM 0 HB VAL A 45 2.007 -3.297 -3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.864 -4.575 -1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.590 -4.994 -1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.010 -3.935 -0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.092 -2.301 -1.949 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.207 -1.566 -0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.257 -1.064 -2.479 1.00 0.00 H new ATOM 662 N ARG A 46 5.557 -3.792 -1.646 1.00 0.00 N ATOM 663 CA ARG A 46 6.577 -4.750 -2.054 1.00 0.00 C ATOM 664 C ARG A 46 6.384 -6.086 -1.343 1.00 0.00 C ATOM 665 O ARG A 46 5.526 -6.217 -0.469 1.00 0.00 O ATOM 666 CB ARG A 46 7.972 -4.199 -1.758 1.00 0.00 C ATOM 667 CG ARG A 46 8.031 -3.327 -0.515 1.00 0.00 C ATOM 668 CD ARG A 46 9.449 -2.856 -0.231 1.00 0.00 C ATOM 669 NE ARG A 46 10.203 -3.831 0.554 1.00 0.00 N ATOM 670 CZ ARG A 46 10.168 -3.891 1.880 1.00 0.00 C ATOM 671 NH1 ARG A 46 9.421 -3.037 2.567 1.00 0.00 N ATOM 672 NH2 ARG A 46 10.882 -4.806 2.523 1.00 0.00 N ATOM 0 H ARG A 46 5.693 -3.403 -0.713 1.00 0.00 H new ATOM 0 HA ARG A 46 6.479 -4.912 -3.127 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.665 -5.032 -1.640 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.314 -3.619 -2.615 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.379 -2.463 -0.644 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.654 -3.886 0.341 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.965 -2.672 -1.173 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.415 -1.907 0.305 1.00 0.00 H new ATOM 0 HE ARG A 46 10.788 -4.502 0.056 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.871 -2.331 2.077 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.396 -3.086 3.586 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.458 -5.464 1.999 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.854 -4.851 3.542 1.00 0.00 H new ATOM 686 N ASP A 47 7.187 -7.074 -1.723 1.00 0.00 N ATOM 687 CA ASP A 47 7.105 -8.400 -1.121 1.00 0.00 C ATOM 688 C ASP A 47 7.568 -8.366 0.333 1.00 0.00 C ATOM 689 O ASP A 47 8.626 -7.821 0.645 1.00 0.00 O ATOM 690 CB ASP A 47 7.951 -9.397 -1.915 1.00 0.00 C ATOM 691 CG ASP A 47 7.756 -10.825 -1.444 1.00 0.00 C ATOM 692 OD1 ASP A 47 6.594 -11.224 -1.227 1.00 0.00 O ATOM 693 OD2 ASP A 47 8.767 -11.543 -1.293 1.00 0.00 O ATOM 0 H ASP A 47 7.902 -6.982 -2.445 1.00 0.00 H new ATOM 0 HA ASP A 47 6.063 -8.719 -1.145 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.693 -9.328 -2.972 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.004 -9.128 -1.825 1.00 0.00 H new ATOM 698 N SER A 48 6.766 -8.951 1.217 1.00 0.00 N ATOM 699 CA SER A 48 7.091 -8.983 2.638 1.00 0.00 C ATOM 700 C SER A 48 8.531 -9.436 2.857 1.00 0.00 C ATOM 701 O SER A 48 9.234 -9.786 1.908 1.00 0.00 O ATOM 702 CB SER A 48 6.133 -9.917 3.381 1.00 0.00 C ATOM 703 OG SER A 48 6.615 -11.250 3.378 1.00 0.00 O ATOM 0 H SER A 48 5.887 -9.409 0.974 1.00 0.00 H new ATOM 0 HA SER A 48 6.982 -7.973 3.032 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.009 -9.574 4.408 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.149 -9.882 2.913 1.00 0.00 H new ATOM 0 HG SER A 48 6.076 -11.794 3.990 1.00 0.00 H new ATOM 766 N ASP A 54 2.567 -12.692 2.959 1.00 0.00 N ATOM 767 CA ASP A 54 2.414 -11.368 3.551 1.00 0.00 C ATOM 768 C ASP A 54 2.891 -10.285 2.590 1.00 0.00 C ATOM 769 O ASP A 54 3.386 -10.580 1.502 1.00 0.00 O ATOM 770 CB ASP A 54 3.193 -11.281 4.865 1.00 0.00 C ATOM 771 CG ASP A 54 2.358 -11.694 6.061 1.00 0.00 C ATOM 772 OD1 ASP A 54 1.115 -11.598 5.980 1.00 0.00 O ATOM 773 OD2 ASP A 54 2.948 -12.113 7.079 1.00 0.00 O ATOM 0 HA ASP A 54 1.355 -11.207 3.754 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.075 -11.918 4.804 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.547 -10.260 5.008 1.00 0.00 H new ATOM 778 N TYR A 55 2.739 -9.030 2.998 1.00 0.00 N ATOM 779 CA TYR A 55 3.151 -7.902 2.171 1.00 0.00 C ATOM 780 C TYR A 55 3.686 -6.762 3.032 1.00 0.00 C ATOM 781 O TYR A 55 3.694 -6.847 4.260 1.00 0.00 O ATOM 782 CB TYR A 55 1.977 -7.408 1.324 1.00 0.00 C ATOM 783 CG TYR A 55 1.719 -8.251 0.095 1.00 0.00 C ATOM 784 CD1 TYR A 55 2.762 -8.632 -0.740 1.00 0.00 C ATOM 785 CD2 TYR A 55 0.434 -8.664 -0.231 1.00 0.00 C ATOM 786 CE1 TYR A 55 2.532 -9.402 -1.864 1.00 0.00 C ATOM 787 CE2 TYR A 55 0.195 -9.435 -1.353 1.00 0.00 C ATOM 788 CZ TYR A 55 1.247 -9.801 -2.166 1.00 0.00 C ATOM 789 OH TYR A 55 1.012 -10.567 -3.284 1.00 0.00 O ATOM 0 H TYR A 55 2.333 -8.768 3.897 1.00 0.00 H new ATOM 0 HA TYR A 55 3.950 -8.241 1.511 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.077 -7.393 1.939 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.170 -6.380 1.015 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.770 -8.321 -0.507 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.392 -8.378 0.403 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.354 -9.690 -2.503 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.810 -9.749 -1.592 1.00 0.00 H new ATOM 0 HH TYR A 55 0.054 -10.763 -3.351 1.00 0.00 H new ATOM 799 N VAL A 56 4.133 -5.695 2.378 1.00 0.00 N ATOM 800 CA VAL A 56 4.669 -4.536 3.082 1.00 0.00 C ATOM 801 C VAL A 56 4.345 -3.244 2.341 1.00 0.00 C ATOM 802 O VAL A 56 4.783 -3.038 1.208 1.00 0.00 O ATOM 803 CB VAL A 56 6.196 -4.644 3.259 1.00 0.00 C ATOM 804 CG1 VAL A 56 6.792 -3.285 3.593 1.00 0.00 C ATOM 805 CG2 VAL A 56 6.536 -5.663 4.335 1.00 0.00 C ATOM 0 H VAL A 56 4.135 -5.609 1.362 1.00 0.00 H new ATOM 0 HA VAL A 56 4.197 -4.516 4.064 1.00 0.00 H new ATOM 0 HB VAL A 56 6.631 -4.983 2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.871 -3.381 3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.578 -2.585 2.785 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.354 -2.913 4.520 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.618 -5.727 4.447 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.091 -5.355 5.281 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.143 -6.639 4.049 1.00 0.00 H new ATOM 815 N LEU A 57 3.574 -2.376 2.986 1.00 0.00 N ATOM 816 CA LEU A 57 3.190 -1.102 2.389 1.00 0.00 C ATOM 817 C LEU A 57 4.071 0.031 2.908 1.00 0.00 C ATOM 818 O LEU A 57 3.866 0.533 4.013 1.00 0.00 O ATOM 819 CB LEU A 57 1.721 -0.798 2.687 1.00 0.00 C ATOM 820 CG LEU A 57 1.208 0.563 2.216 1.00 0.00 C ATOM 821 CD1 LEU A 57 1.599 1.652 3.204 1.00 0.00 C ATOM 822 CD2 LEU A 57 1.742 0.883 0.828 1.00 0.00 C ATOM 0 H LEU A 57 3.202 -2.531 3.923 1.00 0.00 H new ATOM 0 HA LEU A 57 3.327 -1.179 1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.110 -1.574 2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.567 -0.869 3.764 1.00 0.00 H new ATOM 0 HG LEU A 57 0.120 0.522 2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.225 2.614 2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.167 1.430 4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.685 1.694 3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.367 1.855 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.831 0.905 0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.411 0.118 0.126 1.00 0.00 H new ATOM 834 N SER A 58 5.050 0.429 2.102 1.00 0.00 N ATOM 835 CA SER A 58 5.962 1.502 2.481 1.00 0.00 C ATOM 836 C SER A 58 5.462 2.848 1.967 1.00 0.00 C ATOM 837 O SER A 58 4.846 2.930 0.904 1.00 0.00 O ATOM 838 CB SER A 58 7.364 1.224 1.934 1.00 0.00 C ATOM 839 OG SER A 58 7.824 -0.055 2.336 1.00 0.00 O ATOM 0 H SER A 58 5.232 0.025 1.183 1.00 0.00 H new ATOM 0 HA SER A 58 6.004 1.542 3.569 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.352 1.284 0.846 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.054 1.990 2.288 1.00 0.00 H new ATOM 0 HG SER A 58 8.431 0.041 3.099 1.00 0.00 H new ATOM 845 N VAL A 59 5.730 3.903 2.731 1.00 0.00 N ATOM 846 CA VAL A 59 5.308 5.247 2.354 1.00 0.00 C ATOM 847 C VAL A 59 6.363 6.280 2.733 1.00 0.00 C ATOM 848 O VAL A 59 7.267 6.000 3.520 1.00 0.00 O ATOM 849 CB VAL A 59 3.973 5.624 3.022 1.00 0.00 C ATOM 850 CG1 VAL A 59 3.029 4.431 3.041 1.00 0.00 C ATOM 851 CG2 VAL A 59 4.212 6.148 4.430 1.00 0.00 C ATOM 0 H VAL A 59 6.237 3.853 3.614 1.00 0.00 H new ATOM 0 HA VAL A 59 5.176 5.246 1.272 1.00 0.00 H new ATOM 0 HB VAL A 59 3.505 6.417 2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.091 4.717 3.517 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.833 4.106 2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.486 3.615 3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.258 6.410 4.888 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.701 5.378 5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.848 7.032 4.386 1.00 0.00 H new ATOM 861 N SER A 60 6.242 7.476 2.166 1.00 0.00 N ATOM 862 CA SER A 60 7.187 8.552 2.442 1.00 0.00 C ATOM 863 C SER A 60 6.620 9.523 3.473 1.00 0.00 C ATOM 864 O SER A 60 5.648 10.229 3.207 1.00 0.00 O ATOM 865 CB SER A 60 7.529 9.302 1.153 1.00 0.00 C ATOM 866 OG SER A 60 8.743 10.020 1.287 1.00 0.00 O ATOM 0 H SER A 60 5.499 7.724 1.513 1.00 0.00 H new ATOM 0 HA SER A 60 8.096 8.108 2.848 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.611 8.595 0.328 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.721 9.990 0.904 1.00 0.00 H new ATOM 0 HG SER A 60 9.498 9.397 1.243 1.00 0.00 H new ATOM 872 N GLU A 61 7.236 9.551 4.651 1.00 0.00 N ATOM 873 CA GLU A 61 6.792 10.434 5.723 1.00 0.00 C ATOM 874 C GLU A 61 7.807 10.459 6.863 1.00 0.00 C ATOM 875 O GLU A 61 8.619 9.546 7.004 1.00 0.00 O ATOM 876 CB GLU A 61 5.427 9.987 6.250 1.00 0.00 C ATOM 877 CG GLU A 61 4.708 11.053 7.059 1.00 0.00 C ATOM 878 CD GLU A 61 4.910 12.447 6.496 1.00 0.00 C ATOM 879 OE1 GLU A 61 4.329 12.746 5.431 1.00 0.00 O ATOM 880 OE2 GLU A 61 5.647 13.238 7.120 1.00 0.00 O ATOM 0 H GLU A 61 8.043 8.973 4.887 1.00 0.00 H new ATOM 0 HA GLU A 61 6.704 11.441 5.316 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.799 9.697 5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.559 9.100 6.870 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.642 10.827 7.085 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.065 11.025 8.088 1.00 0.00 H new ATOM 887 N ASN A 62 7.753 11.511 7.672 1.00 0.00 N ATOM 888 CA ASN A 62 8.667 11.656 8.799 1.00 0.00 C ATOM 889 C ASN A 62 10.115 11.471 8.353 1.00 0.00 C ATOM 890 O ASN A 62 10.857 10.677 8.932 1.00 0.00 O ATOM 891 CB ASN A 62 8.326 10.644 9.894 1.00 0.00 C ATOM 892 CG ASN A 62 7.324 11.189 10.894 1.00 0.00 C ATOM 893 OD1 ASN A 62 7.566 12.209 11.538 1.00 0.00 O ATOM 894 ND2 ASN A 62 6.191 10.509 11.027 1.00 0.00 N ATOM 0 H ASN A 62 7.086 12.276 7.569 1.00 0.00 H new ATOM 0 HA ASN A 62 8.554 12.664 9.198 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.924 9.740 9.437 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.238 10.358 10.417 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.479 10.828 11.684 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.033 9.668 10.472 1.00 0.00 H new ATOM 901 N SER A 63 10.509 12.208 7.320 1.00 0.00 N ATOM 902 CA SER A 63 11.866 12.122 6.793 1.00 0.00 C ATOM 903 C SER A 63 12.352 10.676 6.776 1.00 0.00 C ATOM 904 O SER A 63 13.546 10.410 6.911 1.00 0.00 O ATOM 905 CB SER A 63 12.815 12.981 7.630 1.00 0.00 C ATOM 906 OG SER A 63 14.057 13.159 6.971 1.00 0.00 O ATOM 0 H SER A 63 9.908 12.871 6.831 1.00 0.00 H new ATOM 0 HA SER A 63 11.856 12.495 5.769 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.359 13.952 7.821 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.978 12.509 8.599 1.00 0.00 H new ATOM 0 HG SER A 63 14.399 12.289 6.677 1.00 0.00 H new ATOM 912 N ARG A 64 11.417 9.747 6.608 1.00 0.00 N ATOM 913 CA ARG A 64 11.748 8.327 6.574 1.00 0.00 C ATOM 914 C ARG A 64 10.671 7.535 5.839 1.00 0.00 C ATOM 915 O ARG A 64 9.717 8.106 5.312 1.00 0.00 O ATOM 916 CB ARG A 64 11.914 7.786 7.995 1.00 0.00 C ATOM 917 CG ARG A 64 10.598 7.592 8.731 1.00 0.00 C ATOM 918 CD ARG A 64 10.793 6.820 10.026 1.00 0.00 C ATOM 919 NE ARG A 64 9.806 7.190 11.037 1.00 0.00 N ATOM 920 CZ ARG A 64 8.553 6.747 11.038 1.00 0.00 C ATOM 921 NH1 ARG A 64 8.138 5.922 10.086 1.00 0.00 N ATOM 922 NH2 ARG A 64 7.714 7.129 11.992 1.00 0.00 N ATOM 0 H ARG A 64 10.424 9.952 6.493 1.00 0.00 H new ATOM 0 HA ARG A 64 12.689 8.212 6.037 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.441 6.833 7.952 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.541 8.472 8.565 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.155 8.564 8.949 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.897 7.058 8.090 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.723 5.751 9.825 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.795 7.007 10.412 1.00 0.00 H new ATOM 0 HE ARG A 64 10.094 7.823 11.783 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.781 5.626 9.351 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.176 5.583 10.089 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.030 7.763 12.726 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.753 6.789 11.992 1.00 0.00 H new ATOM 936 N VAL A 65 10.832 6.216 5.808 1.00 0.00 N ATOM 937 CA VAL A 65 9.873 5.344 5.139 1.00 0.00 C ATOM 938 C VAL A 65 9.083 4.519 6.148 1.00 0.00 C ATOM 939 O VAL A 65 9.633 3.645 6.818 1.00 0.00 O ATOM 940 CB VAL A 65 10.574 4.393 4.151 1.00 0.00 C ATOM 941 CG1 VAL A 65 9.551 3.668 3.291 1.00 0.00 C ATOM 942 CG2 VAL A 65 11.563 5.159 3.286 1.00 0.00 C ATOM 0 H VAL A 65 11.617 5.728 6.238 1.00 0.00 H new ATOM 0 HA VAL A 65 9.189 5.989 4.588 1.00 0.00 H new ATOM 0 HB VAL A 65 11.127 3.647 4.722 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.065 3.001 2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.886 3.087 3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.968 4.396 2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.049 4.472 2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 65 11.034 5.928 2.723 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.315 5.627 3.921 1.00 0.00 H new ATOM 952 N SER A 66 7.788 4.802 6.252 1.00 0.00 N ATOM 953 CA SER A 66 6.922 4.088 7.182 1.00 0.00 C ATOM 954 C SER A 66 6.457 2.764 6.584 1.00 0.00 C ATOM 955 O SER A 66 5.463 2.712 5.859 1.00 0.00 O ATOM 956 CB SER A 66 5.711 4.949 7.547 1.00 0.00 C ATOM 957 OG SER A 66 6.046 5.909 8.534 1.00 0.00 O ATOM 0 H SER A 66 7.316 5.521 5.703 1.00 0.00 H new ATOM 0 HA SER A 66 7.495 3.877 8.085 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.338 5.454 6.656 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.905 4.312 7.913 1.00 0.00 H new ATOM 0 HG SER A 66 5.256 6.447 8.748 1.00 0.00 H new ATOM 963 N HIS A 67 7.184 1.695 6.894 1.00 0.00 N ATOM 964 CA HIS A 67 6.847 0.369 6.388 1.00 0.00 C ATOM 965 C HIS A 67 5.692 -0.238 7.180 1.00 0.00 C ATOM 966 O HIS A 67 5.876 -0.708 8.303 1.00 0.00 O ATOM 967 CB HIS A 67 8.066 -0.551 6.456 1.00 0.00 C ATOM 968 CG HIS A 67 9.265 -0.010 5.741 1.00 0.00 C ATOM 969 ND1 HIS A 67 9.661 -0.450 4.495 1.00 0.00 N ATOM 970 CD2 HIS A 67 10.157 0.942 6.103 1.00 0.00 C ATOM 971 CE1 HIS A 67 10.745 0.207 4.123 1.00 0.00 C ATOM 972 NE2 HIS A 67 11.066 1.058 5.081 1.00 0.00 N ATOM 0 H HIS A 67 8.009 1.721 7.493 1.00 0.00 H new ATOM 0 HA HIS A 67 6.537 0.472 5.348 1.00 0.00 H new ATOM 0 HB2 HIS A 67 8.323 -0.723 7.501 1.00 0.00 H new ATOM 0 HB3 HIS A 67 7.805 -1.519 6.029 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.154 1.505 7.024 1.00 0.00 H new ATOM 0 HE1 HIS A 67 11.278 0.071 3.194 1.00 0.00 H new ATOM 0 HE2 HIS A 67 11.860 1.698 5.064 1.00 0.00 H new ATOM 981 N TYR A 68 4.503 -0.222 6.589 1.00 0.00 N ATOM 982 CA TYR A 68 3.318 -0.768 7.240 1.00 0.00 C ATOM 983 C TYR A 68 3.036 -2.187 6.758 1.00 0.00 C ATOM 984 O TYR A 68 2.335 -2.390 5.767 1.00 0.00 O ATOM 985 CB TYR A 68 2.106 0.125 6.970 1.00 0.00 C ATOM 986 CG TYR A 68 2.215 1.500 7.590 1.00 0.00 C ATOM 987 CD1 TYR A 68 2.351 1.656 8.964 1.00 0.00 C ATOM 988 CD2 TYR A 68 2.184 2.643 6.801 1.00 0.00 C ATOM 989 CE1 TYR A 68 2.451 2.910 9.534 1.00 0.00 C ATOM 990 CE2 TYR A 68 2.285 3.901 7.362 1.00 0.00 C ATOM 991 CZ TYR A 68 2.418 4.029 8.729 1.00 0.00 C ATOM 992 OH TYR A 68 2.519 5.281 9.293 1.00 0.00 O ATOM 0 H TYR A 68 4.334 0.163 5.660 1.00 0.00 H new ATOM 0 HA TYR A 68 3.506 -0.800 8.313 1.00 0.00 H new ATOM 0 HB2 TYR A 68 1.976 0.231 5.893 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.211 -0.366 7.352 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.379 0.782 9.597 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.079 2.546 5.730 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.554 3.014 10.604 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.260 4.779 6.734 1.00 0.00 H new ATOM 0 HH TYR A 68 1.937 5.333 10.080 1.00 0.00 H new ATOM 1002 N ILE A 69 3.587 -3.166 7.468 1.00 0.00 N ATOM 1003 CA ILE A 69 3.394 -4.567 7.115 1.00 0.00 C ATOM 1004 C ILE A 69 1.926 -4.865 6.829 1.00 0.00 C ATOM 1005 O ILE A 69 1.039 -4.119 7.244 1.00 0.00 O ATOM 1006 CB ILE A 69 3.887 -5.503 8.235 1.00 0.00 C ATOM 1007 CG1 ILE A 69 5.408 -5.414 8.371 1.00 0.00 C ATOM 1008 CG2 ILE A 69 3.458 -6.936 7.954 1.00 0.00 C ATOM 1009 CD1 ILE A 69 6.149 -6.464 7.574 1.00 0.00 C ATOM 0 H ILE A 69 4.170 -3.015 8.291 1.00 0.00 H new ATOM 0 HA ILE A 69 3.981 -4.749 6.215 1.00 0.00 H new ATOM 0 HB ILE A 69 3.438 -5.187 9.177 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.736 -4.426 8.048 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.677 -5.511 9.423 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.813 -7.586 8.754 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.370 -6.987 7.902 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.882 -7.263 7.005 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.222 -6.340 7.718 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.850 -7.456 7.912 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.910 -6.354 6.516 1.00 0.00 H new ATOM 1021 N ILE A 70 1.677 -5.960 6.119 1.00 0.00 N ATOM 1022 CA ILE A 70 0.317 -6.358 5.780 1.00 0.00 C ATOM 1023 C ILE A 70 0.100 -7.846 6.032 1.00 0.00 C ATOM 1024 O ILE A 70 0.383 -8.679 5.172 1.00 0.00 O ATOM 1025 CB ILE A 70 -0.011 -6.044 4.308 1.00 0.00 C ATOM 1026 CG1 ILE A 70 0.030 -4.535 4.064 1.00 0.00 C ATOM 1027 CG2 ILE A 70 -1.375 -6.609 3.938 1.00 0.00 C ATOM 1028 CD1 ILE A 70 1.393 -4.027 3.648 1.00 0.00 C ATOM 0 H ILE A 70 2.400 -6.588 5.767 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.349 -5.783 6.423 1.00 0.00 H new ATOM 0 HB ILE A 70 0.741 -6.516 3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.695 -4.280 3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.279 -4.020 4.973 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.593 -6.379 2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.371 -7.690 4.079 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.139 -6.163 4.575 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.348 -2.949 3.492 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.119 -4.250 4.430 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.696 -4.515 2.722 1.00 0.00 H new ATOM 1040 N ASN A 71 -0.405 -8.173 7.217 1.00 0.00 N ATOM 1041 CA ASN A 71 -0.661 -9.561 7.582 1.00 0.00 C ATOM 1042 C ASN A 71 -1.824 -10.131 6.775 1.00 0.00 C ATOM 1043 O ASN A 71 -2.858 -9.483 6.616 1.00 0.00 O ATOM 1044 CB ASN A 71 -0.962 -9.670 9.078 1.00 0.00 C ATOM 1045 CG ASN A 71 0.230 -9.295 9.937 1.00 0.00 C ATOM 1046 OD1 ASN A 71 0.105 -8.524 10.889 1.00 0.00 O ATOM 1047 ND2 ASN A 71 1.394 -9.839 9.603 1.00 0.00 N ATOM 0 H ASN A 71 -0.645 -7.495 7.941 1.00 0.00 H new ATOM 0 HA ASN A 71 0.234 -10.141 7.355 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.802 -9.021 9.325 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.268 -10.690 9.311 1.00 0.00 H new ATOM 0 HD21 ASN A 71 2.232 -9.623 10.144 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.451 -10.473 8.806 1.00 0.00 H new ATOM 1054 N SER A 72 -1.646 -11.346 6.268 1.00 0.00 N ATOM 1055 CA SER A 72 -2.679 -12.002 5.475 1.00 0.00 C ATOM 1056 C SER A 72 -3.631 -12.791 6.368 1.00 0.00 C ATOM 1057 O SER A 72 -3.210 -13.670 7.121 1.00 0.00 O ATOM 1058 CB SER A 72 -2.043 -12.932 4.440 1.00 0.00 C ATOM 1059 OG SER A 72 -3.033 -13.577 3.657 1.00 0.00 O ATOM 0 H SER A 72 -0.796 -11.896 6.392 1.00 0.00 H new ATOM 0 HA SER A 72 -3.250 -11.231 4.958 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.378 -12.360 3.792 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.431 -13.679 4.945 1.00 0.00 H new ATOM 0 HG SER A 72 -2.601 -14.164 3.002 1.00 0.00 H new ATOM 1065 N LEU A 73 -4.917 -12.471 6.279 1.00 0.00 N ATOM 1066 CA LEU A 73 -5.932 -13.150 7.079 1.00 0.00 C ATOM 1067 C LEU A 73 -6.477 -14.371 6.345 1.00 0.00 C ATOM 1068 O LEU A 73 -6.511 -14.423 5.115 1.00 0.00 O ATOM 1069 CB LEU A 73 -7.074 -12.188 7.412 1.00 0.00 C ATOM 1070 CG LEU A 73 -6.664 -10.835 7.994 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -7.873 -9.922 8.123 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -5.986 -11.019 9.344 1.00 0.00 C ATOM 0 H LEU A 73 -5.282 -11.746 5.661 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.466 -13.485 8.005 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.649 -12.011 6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.741 -12.679 8.121 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.952 -10.368 7.313 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.562 -8.964 8.539 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.316 -9.764 7.140 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.608 -10.383 8.783 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.701 -10.046 9.744 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.675 -11.507 10.034 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.096 -11.636 9.223 1.00 0.00 H new ATOM 1084 N PRO A 74 -6.915 -15.377 7.115 1.00 0.00 N ATOM 1085 CA PRO A 74 -7.470 -16.616 6.560 1.00 0.00 C ATOM 1086 C PRO A 74 -8.828 -16.398 5.901 1.00 0.00 C ATOM 1087 O PRO A 74 -9.450 -17.342 5.416 1.00 0.00 O ATOM 1088 CB PRO A 74 -7.609 -17.522 7.785 1.00 0.00 C ATOM 1089 CG PRO A 74 -7.737 -16.586 8.937 1.00 0.00 C ATOM 1090 CD PRO A 74 -6.905 -15.384 8.588 1.00 0.00 C ATOM 0 HA PRO A 74 -6.837 -17.031 5.776 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -8.482 -18.169 7.702 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.741 -18.172 7.897 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.778 -16.306 9.099 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.385 -17.050 9.858 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.331 -14.468 8.997 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.892 -15.468 8.982 1.00 0.00 H new ATOM 1098 N ASN A 75 -9.280 -15.149 5.887 1.00 0.00 N ATOM 1099 CA ASN A 75 -10.565 -14.808 5.286 1.00 0.00 C ATOM 1100 C ASN A 75 -10.371 -13.986 4.016 1.00 0.00 C ATOM 1101 O ASN A 75 -11.041 -12.975 3.810 1.00 0.00 O ATOM 1102 CB ASN A 75 -11.427 -14.030 6.283 1.00 0.00 C ATOM 1103 CG ASN A 75 -10.608 -13.082 7.138 1.00 0.00 C ATOM 1104 OD1 ASN A 75 -9.792 -13.511 7.953 1.00 0.00 O ATOM 1105 ND2 ASN A 75 -10.825 -11.784 6.955 1.00 0.00 N ATOM 0 H ASN A 75 -8.776 -14.356 6.285 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.072 -15.736 5.023 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.184 -13.464 5.740 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.955 -14.732 6.928 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.305 -11.098 7.502 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -11.512 -11.474 6.268 1.00 0.00 H new ATOM 1112 N ARG A 76 -9.450 -14.429 3.166 1.00 0.00 N ATOM 1113 CA ARG A 76 -9.167 -13.735 1.916 1.00 0.00 C ATOM 1114 C ARG A 76 -9.135 -12.225 2.128 1.00 0.00 C ATOM 1115 O ARG A 76 -9.691 -11.465 1.334 1.00 0.00 O ATOM 1116 CB ARG A 76 -10.216 -14.091 0.861 1.00 0.00 C ATOM 1117 CG ARG A 76 -10.043 -15.483 0.275 1.00 0.00 C ATOM 1118 CD ARG A 76 -8.986 -15.500 -0.817 1.00 0.00 C ATOM 1119 NE ARG A 76 -8.917 -16.793 -1.492 1.00 0.00 N ATOM 1120 CZ ARG A 76 -8.086 -17.056 -2.494 1.00 0.00 C ATOM 1121 NH1 ARG A 76 -7.257 -16.120 -2.935 1.00 0.00 N ATOM 1122 NH2 ARG A 76 -8.082 -18.258 -3.057 1.00 0.00 N ATOM 0 H ARG A 76 -8.887 -15.266 3.321 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.186 -14.056 1.565 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.208 -14.014 1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.171 -13.359 0.055 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.762 -16.179 1.065 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.993 -15.828 -0.132 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.207 -14.721 -1.547 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.014 -15.265 -0.384 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.542 -17.535 -1.177 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.256 -15.195 -2.505 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.620 -16.325 -3.705 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.718 -18.981 -2.720 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.443 -18.459 -3.827 1.00 0.00 H new ATOM 1136 N ARG A 77 -8.482 -11.797 3.203 1.00 0.00 N ATOM 1137 CA ARG A 77 -8.379 -10.377 3.520 1.00 0.00 C ATOM 1138 C ARG A 77 -6.991 -10.039 4.056 1.00 0.00 C ATOM 1139 O ARG A 77 -6.226 -10.927 4.434 1.00 0.00 O ATOM 1140 CB ARG A 77 -9.443 -9.984 4.546 1.00 0.00 C ATOM 1141 CG ARG A 77 -10.807 -9.708 3.934 1.00 0.00 C ATOM 1142 CD ARG A 77 -11.736 -9.027 4.926 1.00 0.00 C ATOM 1143 NE ARG A 77 -13.080 -8.848 4.384 1.00 0.00 N ATOM 1144 CZ ARG A 77 -14.010 -8.095 4.960 1.00 0.00 C ATOM 1145 NH1 ARG A 77 -13.744 -7.454 6.090 1.00 0.00 N ATOM 1146 NH2 ARG A 77 -15.210 -7.981 4.405 1.00 0.00 N ATOM 0 H ARG A 77 -8.016 -12.413 3.869 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.543 -9.812 2.602 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.539 -10.783 5.281 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.108 -9.096 5.082 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.690 -9.078 3.052 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -11.253 -10.645 3.600 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -11.789 -9.621 5.839 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -11.324 -8.056 5.201 1.00 0.00 H new ATOM 0 HE ARG A 77 -13.318 -9.327 3.516 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -12.823 -7.538 6.520 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -14.461 -6.877 6.530 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -15.418 -8.472 3.536 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -15.924 -7.403 4.848 1.00 0.00 H new ATOM 1160 N PHE A 78 -6.672 -8.749 4.085 1.00 0.00 N ATOM 1161 CA PHE A 78 -5.375 -8.293 4.573 1.00 0.00 C ATOM 1162 C PHE A 78 -5.533 -7.468 5.847 1.00 0.00 C ATOM 1163 O PHE A 78 -6.594 -6.899 6.104 1.00 0.00 O ATOM 1164 CB PHE A 78 -4.665 -7.465 3.500 1.00 0.00 C ATOM 1165 CG PHE A 78 -4.073 -8.295 2.397 1.00 0.00 C ATOM 1166 CD1 PHE A 78 -3.034 -9.175 2.656 1.00 0.00 C ATOM 1167 CD2 PHE A 78 -4.554 -8.194 1.102 1.00 0.00 C ATOM 1168 CE1 PHE A 78 -2.487 -9.938 1.642 1.00 0.00 C ATOM 1169 CE2 PHE A 78 -4.011 -8.956 0.084 1.00 0.00 C ATOM 1170 CZ PHE A 78 -2.977 -9.830 0.355 1.00 0.00 C ATOM 0 H PHE A 78 -7.293 -8.001 3.777 1.00 0.00 H new ATOM 0 HA PHE A 78 -4.772 -9.171 4.802 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.374 -6.757 3.071 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.874 -6.880 3.968 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.648 -9.265 3.661 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.363 -7.512 0.885 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.676 -10.619 1.856 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.395 -8.868 -0.922 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.552 -10.428 -0.438 1.00 0.00 H new ATOM 1180 N LYS A 79 -4.470 -7.409 6.642 1.00 0.00 N ATOM 1181 CA LYS A 79 -4.488 -6.654 7.889 1.00 0.00 C ATOM 1182 C LYS A 79 -3.264 -5.750 7.995 1.00 0.00 C ATOM 1183 O LYS A 79 -2.162 -6.214 8.289 1.00 0.00 O ATOM 1184 CB LYS A 79 -4.537 -7.607 9.086 1.00 0.00 C ATOM 1185 CG LYS A 79 -4.641 -6.898 10.425 1.00 0.00 C ATOM 1186 CD LYS A 79 -4.359 -7.843 11.580 1.00 0.00 C ATOM 1187 CE LYS A 79 -4.184 -7.088 12.888 1.00 0.00 C ATOM 1188 NZ LYS A 79 -4.139 -8.008 14.059 1.00 0.00 N ATOM 0 H LYS A 79 -3.585 -7.875 6.445 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.381 -6.029 7.893 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.390 -8.276 8.972 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.641 -8.228 9.082 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.936 -6.067 10.453 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.639 -6.474 10.536 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.178 -8.555 11.677 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.459 -8.420 11.368 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.265 -6.504 12.850 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.005 -6.382 13.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.019 -7.454 14.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.027 -8.547 14.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.340 -8.665 13.953 1.00 0.00 H new ATOM 1202 N ILE A 80 -3.465 -4.459 7.756 1.00 0.00 N ATOM 1203 CA ILE A 80 -2.378 -3.491 7.828 1.00 0.00 C ATOM 1204 C ILE A 80 -2.293 -2.862 9.214 1.00 0.00 C ATOM 1205 O ILE A 80 -3.039 -1.938 9.536 1.00 0.00 O ATOM 1206 CB ILE A 80 -2.548 -2.375 6.780 1.00 0.00 C ATOM 1207 CG1 ILE A 80 -1.454 -1.318 6.946 1.00 0.00 C ATOM 1208 CG2 ILE A 80 -3.926 -1.741 6.900 1.00 0.00 C ATOM 1209 CD1 ILE A 80 -1.221 -0.489 5.703 1.00 0.00 C ATOM 0 H ILE A 80 -4.371 -4.059 7.511 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.457 -4.035 7.621 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.456 -2.813 5.786 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.722 -0.656 7.769 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.523 -1.811 7.224 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.031 -0.954 6.153 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.691 -2.500 6.737 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.044 -1.314 7.896 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.433 0.239 5.894 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.922 -1.141 4.882 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.140 0.033 5.436 1.00 0.00 H new ATOM 1221 N GLY A 81 -1.375 -3.368 10.032 1.00 0.00 N ATOM 1222 CA GLY A 81 -1.207 -2.843 11.375 1.00 0.00 C ATOM 1223 C GLY A 81 -2.317 -3.277 12.311 1.00 0.00 C ATOM 1224 O GLY A 81 -2.347 -4.423 12.760 1.00 0.00 O ATOM 0 H GLY A 81 -0.745 -4.132 9.789 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.249 -3.175 11.774 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.175 -1.754 11.335 1.00 0.00 H new ATOM 1228 N ASP A 82 -3.232 -2.360 12.607 1.00 0.00 N ATOM 1229 CA ASP A 82 -4.349 -2.655 13.496 1.00 0.00 C ATOM 1230 C ASP A 82 -5.676 -2.572 12.747 1.00 0.00 C ATOM 1231 O ASP A 82 -6.745 -2.697 13.345 1.00 0.00 O ATOM 1232 CB ASP A 82 -4.356 -1.686 14.679 1.00 0.00 C ATOM 1233 CG ASP A 82 -3.839 -0.311 14.305 1.00 0.00 C ATOM 1234 OD1 ASP A 82 -2.641 -0.197 13.972 1.00 0.00 O ATOM 1235 OD2 ASP A 82 -4.633 0.653 14.344 1.00 0.00 O ATOM 0 H ASP A 82 -3.222 -1.407 12.244 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.226 -3.672 13.869 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.371 -1.596 15.065 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.744 -2.095 15.483 1.00 0.00 H new ATOM 1240 N GLN A 83 -5.598 -2.359 11.438 1.00 0.00 N ATOM 1241 CA GLN A 83 -6.793 -2.257 10.609 1.00 0.00 C ATOM 1242 C GLN A 83 -6.843 -3.386 9.585 1.00 0.00 C ATOM 1243 O GLN A 83 -5.835 -4.041 9.320 1.00 0.00 O ATOM 1244 CB GLN A 83 -6.832 -0.904 9.896 1.00 0.00 C ATOM 1245 CG GLN A 83 -6.753 0.284 10.841 1.00 0.00 C ATOM 1246 CD GLN A 83 -8.022 0.471 11.650 1.00 0.00 C ATOM 1247 OE1 GLN A 83 -8.968 -0.308 11.530 1.00 0.00 O ATOM 1248 NE2 GLN A 83 -8.048 1.507 12.480 1.00 0.00 N ATOM 0 H GLN A 83 -4.721 -2.254 10.929 1.00 0.00 H new ATOM 0 HA GLN A 83 -7.664 -2.342 11.259 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.004 -0.851 9.189 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.752 -0.835 9.315 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -5.911 0.149 11.519 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.557 1.189 10.266 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -7.241 2.127 12.547 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -8.875 1.683 13.050 1.00 0.00 H new ATOM 1257 N GLU A 84 -8.022 -3.608 9.012 1.00 0.00 N ATOM 1258 CA GLU A 84 -8.202 -4.659 8.018 1.00 0.00 C ATOM 1259 C GLU A 84 -9.041 -4.161 6.845 1.00 0.00 C ATOM 1260 O GLU A 84 -9.800 -3.200 6.974 1.00 0.00 O ATOM 1261 CB GLU A 84 -8.868 -5.883 8.652 1.00 0.00 C ATOM 1262 CG GLU A 84 -8.164 -6.379 9.903 1.00 0.00 C ATOM 1263 CD GLU A 84 -9.099 -7.106 10.850 1.00 0.00 C ATOM 1264 OE1 GLU A 84 -10.026 -6.461 11.381 1.00 0.00 O ATOM 1265 OE2 GLU A 84 -8.903 -8.322 11.058 1.00 0.00 O ATOM 0 H GLU A 84 -8.866 -3.074 9.219 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.218 -4.942 7.644 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.901 -5.637 8.900 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.900 -6.689 7.919 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.351 -7.047 9.617 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.714 -5.533 10.422 1.00 0.00 H new ATOM 1272 N PHE A 85 -8.899 -4.821 5.700 1.00 0.00 N ATOM 1273 CA PHE A 85 -9.641 -4.445 4.503 1.00 0.00 C ATOM 1274 C PHE A 85 -10.036 -5.679 3.698 1.00 0.00 C ATOM 1275 O PHE A 85 -9.807 -6.811 4.124 1.00 0.00 O ATOM 1276 CB PHE A 85 -8.807 -3.501 3.635 1.00 0.00 C ATOM 1277 CG PHE A 85 -8.489 -2.195 4.304 1.00 0.00 C ATOM 1278 CD1 PHE A 85 -9.340 -1.109 4.174 1.00 0.00 C ATOM 1279 CD2 PHE A 85 -7.340 -2.052 5.064 1.00 0.00 C ATOM 1280 CE1 PHE A 85 -9.049 0.094 4.788 1.00 0.00 C ATOM 1281 CE2 PHE A 85 -7.044 -0.851 5.682 1.00 0.00 C ATOM 1282 CZ PHE A 85 -7.900 0.223 5.544 1.00 0.00 C ATOM 0 H PHE A 85 -8.276 -5.619 5.576 1.00 0.00 H new ATOM 0 HA PHE A 85 -10.550 -3.931 4.816 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -7.875 -3.998 3.364 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.344 -3.303 2.707 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.241 -1.204 3.586 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.667 -2.889 5.175 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -9.720 0.933 4.677 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.144 -0.753 6.272 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.672 1.162 6.026 1.00 0.00 H new ATOM 1292 N ASP A 86 -10.631 -5.452 2.532 1.00 0.00 N ATOM 1293 CA ASP A 86 -11.057 -6.545 1.665 1.00 0.00 C ATOM 1294 C ASP A 86 -9.903 -7.031 0.794 1.00 0.00 C ATOM 1295 O ASP A 86 -9.859 -8.195 0.397 1.00 0.00 O ATOM 1296 CB ASP A 86 -12.225 -6.099 0.784 1.00 0.00 C ATOM 1297 CG ASP A 86 -13.451 -5.725 1.593 1.00 0.00 C ATOM 1298 OD1 ASP A 86 -14.209 -6.640 1.979 1.00 0.00 O ATOM 1299 OD2 ASP A 86 -13.653 -4.518 1.840 1.00 0.00 O ATOM 0 H ASP A 86 -10.829 -4.521 2.165 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.383 -7.371 2.297 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -11.916 -5.245 0.182 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -12.481 -6.901 0.092 1.00 0.00 H new ATOM 1304 N HIS A 87 -8.970 -6.130 0.501 1.00 0.00 N ATOM 1305 CA HIS A 87 -7.815 -6.467 -0.324 1.00 0.00 C ATOM 1306 C HIS A 87 -6.852 -5.287 -0.418 1.00 0.00 C ATOM 1307 O HIS A 87 -7.048 -4.259 0.231 1.00 0.00 O ATOM 1308 CB HIS A 87 -8.266 -6.885 -1.724 1.00 0.00 C ATOM 1309 CG HIS A 87 -9.463 -6.133 -2.217 1.00 0.00 C ATOM 1310 ND1 HIS A 87 -9.400 -4.833 -2.674 1.00 0.00 N ATOM 1311 CD2 HIS A 87 -10.760 -6.506 -2.326 1.00 0.00 C ATOM 1312 CE1 HIS A 87 -10.606 -4.438 -3.040 1.00 0.00 C ATOM 1313 NE2 HIS A 87 -11.450 -5.435 -2.839 1.00 0.00 N ATOM 0 H HIS A 87 -8.991 -5.162 0.822 1.00 0.00 H new ATOM 0 HA HIS A 87 -7.295 -7.302 0.146 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -7.442 -6.737 -2.422 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -8.493 -7.951 -1.720 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -11.175 -7.467 -2.059 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -10.859 -3.466 -3.436 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -12.451 -5.413 -3.033 1.00 0.00 H new ATOM 1322 N LEU A 88 -5.811 -5.442 -1.229 1.00 0.00 N ATOM 1323 CA LEU A 88 -4.817 -4.390 -1.407 1.00 0.00 C ATOM 1324 C LEU A 88 -5.472 -3.097 -1.885 1.00 0.00 C ATOM 1325 O LEU A 88 -5.401 -2.058 -1.229 1.00 0.00 O ATOM 1326 CB LEU A 88 -3.750 -4.834 -2.409 1.00 0.00 C ATOM 1327 CG LEU A 88 -2.490 -5.462 -1.812 1.00 0.00 C ATOM 1328 CD1 LEU A 88 -1.877 -4.542 -0.768 1.00 0.00 C ATOM 1329 CD2 LEU A 88 -2.807 -6.822 -1.207 1.00 0.00 C ATOM 0 H LEU A 88 -5.634 -6.286 -1.773 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.346 -4.202 -0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.200 -5.552 -3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.455 -3.969 -3.002 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.764 -5.603 -2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.982 -5.006 -0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.612 -3.592 -1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.597 -4.368 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.899 -7.254 -0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.551 -6.705 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.198 -7.482 -1.981 1.00 0.00 H new ATOM 1341 N PRO A 89 -6.126 -3.162 -3.054 1.00 0.00 N ATOM 1342 CA PRO A 89 -6.809 -2.006 -3.643 1.00 0.00 C ATOM 1343 C PRO A 89 -8.052 -1.604 -2.857 1.00 0.00 C ATOM 1344 O PRO A 89 -8.829 -0.757 -3.297 1.00 0.00 O ATOM 1345 CB PRO A 89 -7.195 -2.498 -5.040 1.00 0.00 C ATOM 1346 CG PRO A 89 -7.285 -3.979 -4.910 1.00 0.00 C ATOM 1347 CD PRO A 89 -6.251 -4.368 -3.889 1.00 0.00 C ATOM 0 HA PRO A 89 -6.177 -1.118 -3.648 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.145 -2.071 -5.362 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.449 -2.210 -5.781 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.282 -4.283 -4.591 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.093 -4.467 -5.866 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.569 -5.231 -3.304 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.303 -4.632 -4.358 1.00 0.00 H new ATOM 1355 N ALA A 90 -8.234 -2.217 -1.692 1.00 0.00 N ATOM 1356 CA ALA A 90 -9.381 -1.920 -0.844 1.00 0.00 C ATOM 1357 C ALA A 90 -8.967 -1.100 0.373 1.00 0.00 C ATOM 1358 O ALA A 90 -9.796 -0.437 0.999 1.00 0.00 O ATOM 1359 CB ALA A 90 -10.062 -3.209 -0.407 1.00 0.00 C ATOM 0 H ALA A 90 -7.601 -2.922 -1.314 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.087 -1.327 -1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.917 -2.972 0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.402 -3.757 -1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.355 -3.822 0.152 1.00 0.00 H new ATOM 1365 N LEU A 91 -7.681 -1.148 0.704 1.00 0.00 N ATOM 1366 CA LEU A 91 -7.157 -0.410 1.847 1.00 0.00 C ATOM 1367 C LEU A 91 -6.487 0.885 1.398 1.00 0.00 C ATOM 1368 O LEU A 91 -6.619 1.923 2.048 1.00 0.00 O ATOM 1369 CB LEU A 91 -6.159 -1.272 2.622 1.00 0.00 C ATOM 1370 CG LEU A 91 -4.795 -1.477 1.961 1.00 0.00 C ATOM 1371 CD1 LEU A 91 -3.826 -0.386 2.387 1.00 0.00 C ATOM 1372 CD2 LEU A 91 -4.238 -2.851 2.304 1.00 0.00 C ATOM 0 H LEU A 91 -6.982 -1.691 0.196 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.993 -0.158 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.002 -0.819 3.601 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.609 -2.250 2.792 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.924 -1.418 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.861 -0.549 1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.220 0.586 2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.701 -0.412 3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.267 -2.980 1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.124 -2.938 3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.923 -3.621 1.948 1.00 0.00 H new ATOM 1384 N LEU A 92 -5.770 0.818 0.282 1.00 0.00 N ATOM 1385 CA LEU A 92 -5.081 1.985 -0.257 1.00 0.00 C ATOM 1386 C LEU A 92 -6.075 3.080 -0.631 1.00 0.00 C ATOM 1387 O LEU A 92 -5.794 4.267 -0.472 1.00 0.00 O ATOM 1388 CB LEU A 92 -4.251 1.593 -1.481 1.00 0.00 C ATOM 1389 CG LEU A 92 -3.383 0.344 -1.330 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -3.127 -0.295 -2.687 1.00 0.00 C ATOM 1391 CD2 LEU A 92 -2.068 0.687 -0.644 1.00 0.00 C ATOM 0 H LEU A 92 -5.651 -0.033 -0.268 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.416 2.372 0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.929 1.441 -2.321 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.605 2.431 -1.741 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.918 -0.373 -0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.507 -1.183 -2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.077 -0.577 -3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.613 0.417 -3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.463 -0.214 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.528 1.423 -1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.270 1.099 0.345 1.00 0.00 H new ATOM 1403 N GLU A 93 -7.238 2.671 -1.128 1.00 0.00 N ATOM 1404 CA GLU A 93 -8.274 3.618 -1.523 1.00 0.00 C ATOM 1405 C GLU A 93 -8.964 4.212 -0.299 1.00 0.00 C ATOM 1406 O GLU A 93 -9.502 5.319 -0.351 1.00 0.00 O ATOM 1407 CB GLU A 93 -9.307 2.932 -2.421 1.00 0.00 C ATOM 1408 CG GLU A 93 -10.144 1.890 -1.700 1.00 0.00 C ATOM 1409 CD GLU A 93 -11.407 1.529 -2.458 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -11.318 0.731 -3.414 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -12.484 2.046 -2.094 1.00 0.00 O ATOM 0 H GLU A 93 -7.486 1.691 -1.267 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.799 4.426 -2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -9.969 3.689 -2.843 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.792 2.457 -3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.546 0.991 -1.548 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.412 2.265 -0.712 1.00 0.00 H new ATOM 1418 N PHE A 94 -8.945 3.469 0.803 1.00 0.00 N ATOM 1419 CA PHE A 94 -9.570 3.921 2.041 1.00 0.00 C ATOM 1420 C PHE A 94 -8.631 4.838 2.820 1.00 0.00 C ATOM 1421 O PHE A 94 -9.066 5.599 3.685 1.00 0.00 O ATOM 1422 CB PHE A 94 -9.964 2.722 2.905 1.00 0.00 C ATOM 1423 CG PHE A 94 -10.939 3.064 3.995 1.00 0.00 C ATOM 1424 CD1 PHE A 94 -12.277 3.280 3.704 1.00 0.00 C ATOM 1425 CD2 PHE A 94 -10.519 3.169 5.312 1.00 0.00 C ATOM 1426 CE1 PHE A 94 -13.176 3.595 4.705 1.00 0.00 C ATOM 1427 CE2 PHE A 94 -11.414 3.483 6.317 1.00 0.00 C ATOM 1428 CZ PHE A 94 -12.744 3.696 6.013 1.00 0.00 C ATOM 0 H PHE A 94 -8.504 2.551 0.864 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.467 4.484 1.782 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.399 1.952 2.268 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -9.066 2.296 3.352 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.621 3.201 2.683 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -9.480 3.003 5.555 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -14.216 3.762 4.465 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.074 3.562 7.339 1.00 0.00 H new ATOM 0 HZ PHE A 94 -13.445 3.941 6.797 1.00 0.00 H new ATOM 1438 N TYR A 95 -7.342 4.758 2.509 1.00 0.00 N ATOM 1439 CA TYR A 95 -6.341 5.577 3.182 1.00 0.00 C ATOM 1440 C TYR A 95 -6.143 6.903 2.453 1.00 0.00 C ATOM 1441 O TYR A 95 -5.675 7.881 3.035 1.00 0.00 O ATOM 1442 CB TYR A 95 -5.011 4.826 3.268 1.00 0.00 C ATOM 1443 CG TYR A 95 -4.921 3.889 4.451 1.00 0.00 C ATOM 1444 CD1 TYR A 95 -5.120 4.352 5.746 1.00 0.00 C ATOM 1445 CD2 TYR A 95 -4.637 2.540 4.274 1.00 0.00 C ATOM 1446 CE1 TYR A 95 -5.038 3.500 6.830 1.00 0.00 C ATOM 1447 CE2 TYR A 95 -4.554 1.680 5.352 1.00 0.00 C ATOM 1448 CZ TYR A 95 -4.755 2.165 6.628 1.00 0.00 C ATOM 1449 OH TYR A 95 -4.672 1.312 7.705 1.00 0.00 O ATOM 0 H TYR A 95 -6.966 4.134 1.795 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.698 5.787 4.190 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.866 4.255 2.351 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.198 5.549 3.325 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.343 5.396 5.908 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.478 2.157 3.277 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.195 3.877 7.830 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.333 0.634 5.197 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.265 1.628 8.419 1.00 0.00 H new ATOM 1459 N LYS A 96 -6.503 6.927 1.174 1.00 0.00 N ATOM 1460 CA LYS A 96 -6.367 8.131 0.363 1.00 0.00 C ATOM 1461 C LYS A 96 -6.999 9.331 1.061 1.00 0.00 C ATOM 1462 O LYS A 96 -6.701 10.479 0.733 1.00 0.00 O ATOM 1463 CB LYS A 96 -7.017 7.924 -1.007 1.00 0.00 C ATOM 1464 CG LYS A 96 -6.190 7.068 -1.950 1.00 0.00 C ATOM 1465 CD LYS A 96 -7.043 6.472 -3.056 1.00 0.00 C ATOM 1466 CE LYS A 96 -7.108 7.390 -4.267 1.00 0.00 C ATOM 1467 NZ LYS A 96 -8.270 7.073 -5.143 1.00 0.00 N ATOM 0 H LYS A 96 -6.891 6.126 0.677 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.304 8.330 0.228 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.993 7.459 -0.870 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.189 8.896 -1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.395 7.672 -2.388 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.709 6.267 -1.388 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.634 5.506 -3.352 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.050 6.290 -2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.176 8.426 -3.934 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.186 7.300 -4.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.278 7.721 -5.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.192 6.093 -5.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.152 7.184 -4.603 1.00 0.00 H new ATOM 1481 N ILE A 97 -7.872 9.057 2.025 1.00 0.00 N ATOM 1482 CA ILE A 97 -8.543 10.114 2.771 1.00 0.00 C ATOM 1483 C ILE A 97 -8.125 10.103 4.237 1.00 0.00 C ATOM 1484 O ILE A 97 -8.031 11.153 4.875 1.00 0.00 O ATOM 1485 CB ILE A 97 -10.075 9.979 2.684 1.00 0.00 C ATOM 1486 CG1 ILE A 97 -10.531 8.674 3.339 1.00 0.00 C ATOM 1487 CG2 ILE A 97 -10.530 10.038 1.234 1.00 0.00 C ATOM 1488 CD1 ILE A 97 -12.033 8.562 3.483 1.00 0.00 C ATOM 0 H ILE A 97 -8.131 8.112 2.307 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.243 11.059 2.318 1.00 0.00 H new ATOM 0 HB ILE A 97 -10.530 10.811 3.221 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.167 7.834 2.748 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -10.073 8.592 4.325 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -11.615 9.941 1.189 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -10.232 10.991 0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -10.070 9.224 0.675 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -12.283 7.612 3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -12.402 9.382 4.100 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -12.498 8.612 2.498 1.00 0.00 H new ATOM 1500 N HIS A 98 -7.872 8.910 4.766 1.00 0.00 N ATOM 1501 CA HIS A 98 -7.461 8.763 6.158 1.00 0.00 C ATOM 1502 C HIS A 98 -5.959 8.984 6.307 1.00 0.00 C ATOM 1503 O HIS A 98 -5.180 8.649 5.414 1.00 0.00 O ATOM 1504 CB HIS A 98 -7.838 7.375 6.679 1.00 0.00 C ATOM 1505 CG HIS A 98 -9.302 7.217 6.956 1.00 0.00 C ATOM 1506 ND1 HIS A 98 -9.893 5.996 7.202 1.00 0.00 N ATOM 1507 CD2 HIS A 98 -10.294 8.135 7.026 1.00 0.00 C ATOM 1508 CE1 HIS A 98 -11.186 6.170 7.411 1.00 0.00 C ATOM 1509 NE2 HIS A 98 -11.455 7.459 7.309 1.00 0.00 N ATOM 0 H HIS A 98 -7.944 8.032 4.252 1.00 0.00 H new ATOM 0 HA HIS A 98 -7.982 9.518 6.747 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -7.532 6.626 5.949 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.280 7.175 7.594 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -9.408 5.099 7.220 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -10.191 9.201 6.885 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -11.901 5.391 7.628 1.00 0.00 H new ATOM 1518 N TYR A 99 -5.559 9.550 7.440 1.00 0.00 N ATOM 1519 CA TYR A 99 -4.150 9.819 7.704 1.00 0.00 C ATOM 1520 C TYR A 99 -3.553 8.749 8.614 1.00 0.00 C ATOM 1521 O TYR A 99 -3.935 8.623 9.778 1.00 0.00 O ATOM 1522 CB TYR A 99 -3.984 11.198 8.343 1.00 0.00 C ATOM 1523 CG TYR A 99 -4.430 12.336 7.453 1.00 0.00 C ATOM 1524 CD1 TYR A 99 -5.775 12.533 7.166 1.00 0.00 C ATOM 1525 CD2 TYR A 99 -3.506 13.212 6.897 1.00 0.00 C ATOM 1526 CE1 TYR A 99 -6.187 13.571 6.352 1.00 0.00 C ATOM 1527 CE2 TYR A 99 -3.909 14.253 6.083 1.00 0.00 C ATOM 1528 CZ TYR A 99 -5.251 14.429 5.814 1.00 0.00 C ATOM 1529 OH TYR A 99 -5.656 15.463 5.002 1.00 0.00 O ATOM 0 H TYR A 99 -6.190 9.831 8.190 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.618 9.800 6.753 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.554 11.230 9.272 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -2.936 11.343 8.607 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.511 11.864 7.586 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.455 13.077 7.105 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.237 13.710 6.138 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -3.178 14.925 5.659 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.873 15.974 4.707 1.00 0.00 H new ATOM 1539 N LEU A 100 -2.612 7.982 8.075 1.00 0.00 N ATOM 1540 CA LEU A 100 -1.960 6.923 8.836 1.00 0.00 C ATOM 1541 C LEU A 100 -1.345 7.474 10.119 1.00 0.00 C ATOM 1542 O LEU A 100 -1.806 7.173 11.220 1.00 0.00 O ATOM 1543 CB LEU A 100 -0.880 6.249 7.988 1.00 0.00 C ATOM 1544 CG LEU A 100 -1.327 5.727 6.622 1.00 0.00 C ATOM 1545 CD1 LEU A 100 -0.175 5.770 5.631 1.00 0.00 C ATOM 1546 CD2 LEU A 100 -1.876 4.313 6.745 1.00 0.00 C ATOM 0 H LEU A 100 -2.284 8.074 7.114 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.716 6.185 9.105 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.069 6.962 7.835 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.468 5.415 8.556 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.123 6.373 6.250 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.512 5.395 4.665 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.172 6.797 5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.643 5.149 5.996 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.189 3.958 5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.101 3.655 7.139 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.731 4.312 7.421 1.00 0.00 H new ATOM 1558 N ASP A 101 -0.303 8.284 9.968 1.00 0.00 N ATOM 1559 CA ASP A 101 0.374 8.880 11.114 1.00 0.00 C ATOM 1560 C ASP A 101 0.292 10.402 11.062 1.00 0.00 C ATOM 1561 O ASP A 101 -0.357 11.030 11.900 1.00 0.00 O ATOM 1562 CB ASP A 101 1.837 8.437 11.157 1.00 0.00 C ATOM 1563 CG ASP A 101 2.032 7.161 11.952 1.00 0.00 C ATOM 1564 OD1 ASP A 101 1.247 6.211 11.751 1.00 0.00 O ATOM 1565 OD2 ASP A 101 2.970 7.112 12.775 1.00 0.00 O ATOM 0 H ASP A 101 0.091 8.543 9.064 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.128 8.538 12.019 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.198 8.287 10.140 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.441 9.231 11.596 1.00 0.00 H new ATOM 1570 N THR A 102 0.955 10.992 10.072 1.00 0.00 N ATOM 1571 CA THR A 102 0.959 12.441 9.911 1.00 0.00 C ATOM 1572 C THR A 102 0.578 12.837 8.489 1.00 0.00 C ATOM 1573 O THR A 102 0.431 14.020 8.182 1.00 0.00 O ATOM 1574 CB THR A 102 2.338 13.039 10.247 1.00 0.00 C ATOM 1575 OG1 THR A 102 2.223 14.451 10.452 1.00 0.00 O ATOM 1576 CG2 THR A 102 3.334 12.763 9.130 1.00 0.00 C ATOM 0 H THR A 102 1.496 10.488 9.369 1.00 0.00 H new ATOM 0 HA THR A 102 0.220 12.839 10.606 1.00 0.00 H new ATOM 0 HB THR A 102 2.701 12.568 11.161 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.603 14.828 9.793 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.301 13.195 9.390 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.441 11.687 8.996 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.974 13.210 8.203 1.00 0.00 H new ATOM 1584 N THR A 103 0.419 11.840 7.624 1.00 0.00 N ATOM 1585 CA THR A 103 0.055 12.085 6.234 1.00 0.00 C ATOM 1586 C THR A 103 -0.738 10.917 5.660 1.00 0.00 C ATOM 1587 O THR A 103 -0.920 9.892 6.318 1.00 0.00 O ATOM 1588 CB THR A 103 1.301 12.323 5.361 1.00 0.00 C ATOM 1589 OG1 THR A 103 0.957 13.119 4.222 1.00 0.00 O ATOM 1590 CG2 THR A 103 1.900 11.003 4.901 1.00 0.00 C ATOM 0 H THR A 103 0.537 10.855 7.862 1.00 0.00 H new ATOM 0 HA THR A 103 -0.564 12.982 6.222 1.00 0.00 H new ATOM 0 HB THR A 103 2.042 12.850 5.962 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.755 13.267 3.673 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.779 11.197 4.286 1.00 0.00 H new ATOM 0 HG22 THR A 103 2.189 10.412 5.770 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.162 10.453 4.317 1.00 0.00 H new ATOM 1598 N THR A 104 -1.210 11.078 4.427 1.00 0.00 N ATOM 1599 CA THR A 104 -1.985 10.037 3.764 1.00 0.00 C ATOM 1600 C THR A 104 -1.300 9.573 2.483 1.00 0.00 C ATOM 1601 O THR A 104 -0.212 10.041 2.144 1.00 0.00 O ATOM 1602 CB THR A 104 -3.406 10.524 3.424 1.00 0.00 C ATOM 1603 OG1 THR A 104 -3.370 11.375 2.273 1.00 0.00 O ATOM 1604 CG2 THR A 104 -4.015 11.276 4.598 1.00 0.00 C ATOM 0 H THR A 104 -1.069 11.919 3.868 1.00 0.00 H new ATOM 0 HA THR A 104 -2.052 9.202 4.461 1.00 0.00 H new ATOM 0 HB THR A 104 -4.024 9.652 3.211 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.278 11.679 2.062 1.00 0.00 H new ATOM 0 HG21 THR A 104 -5.018 11.610 4.335 1.00 0.00 H new ATOM 0 HG22 THR A 104 -4.068 10.617 5.464 1.00 0.00 H new ATOM 0 HG23 THR A 104 -3.396 12.140 4.837 1.00 0.00 H new ATOM 1612 N LEU A 105 -1.942 8.651 1.775 1.00 0.00 N ATOM 1613 CA LEU A 105 -1.395 8.124 0.530 1.00 0.00 C ATOM 1614 C LEU A 105 -1.822 8.979 -0.658 1.00 0.00 C ATOM 1615 O LEU A 105 -3.012 9.100 -0.952 1.00 0.00 O ATOM 1616 CB LEU A 105 -1.849 6.678 0.322 1.00 0.00 C ATOM 1617 CG LEU A 105 -1.571 5.714 1.476 1.00 0.00 C ATOM 1618 CD1 LEU A 105 -2.226 4.367 1.216 1.00 0.00 C ATOM 1619 CD2 LEU A 105 -0.073 5.549 1.684 1.00 0.00 C ATOM 0 H LEU A 105 -2.842 8.253 2.042 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.308 8.150 0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.921 6.680 0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.363 6.291 -0.573 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.000 6.134 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.017 3.694 2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.303 4.499 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.828 3.940 0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.106 4.860 2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.379 5.152 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.371 6.517 1.917 1.00 0.00 H new ATOM 1631 N ILE A 106 -0.845 9.569 -1.338 1.00 0.00 N ATOM 1632 CA ILE A 106 -1.120 10.410 -2.497 1.00 0.00 C ATOM 1633 C ILE A 106 -1.034 9.609 -3.791 1.00 0.00 C ATOM 1634 O ILE A 106 -2.032 9.427 -4.487 1.00 0.00 O ATOM 1635 CB ILE A 106 -0.142 11.597 -2.575 1.00 0.00 C ATOM 1636 CG1 ILE A 106 -0.179 12.403 -1.275 1.00 0.00 C ATOM 1637 CG2 ILE A 106 -0.481 12.485 -3.764 1.00 0.00 C ATOM 1638 CD1 ILE A 106 -1.489 13.122 -1.046 1.00 0.00 C ATOM 0 H ILE A 106 0.144 9.480 -1.107 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.134 10.792 -2.376 1.00 0.00 H new ATOM 0 HB ILE A 106 0.867 11.209 -2.711 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.010 11.733 -0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.630 13.134 -1.287 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.219 13.320 -3.806 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.409 11.905 -4.684 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.496 12.868 -3.655 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.443 13.672 -0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.670 13.818 -1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.300 12.395 -1.001 1.00 0.00 H new ATOM 1650 N GLU A 107 0.166 9.130 -4.106 1.00 0.00 N ATOM 1651 CA GLU A 107 0.381 8.347 -5.317 1.00 0.00 C ATOM 1652 C GLU A 107 1.522 7.352 -5.125 1.00 0.00 C ATOM 1653 O GLU A 107 2.505 7.621 -4.434 1.00 0.00 O ATOM 1654 CB GLU A 107 0.687 9.268 -6.499 1.00 0.00 C ATOM 1655 CG GLU A 107 2.107 9.808 -6.499 1.00 0.00 C ATOM 1656 CD GLU A 107 3.089 8.866 -7.170 1.00 0.00 C ATOM 1657 OE1 GLU A 107 2.702 8.215 -8.163 1.00 0.00 O ATOM 1658 OE2 GLU A 107 4.243 8.780 -6.701 1.00 0.00 O ATOM 0 H GLU A 107 1.003 9.270 -3.540 1.00 0.00 H new ATOM 0 HA GLU A 107 -0.533 7.791 -5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.515 8.723 -7.427 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.011 10.105 -6.486 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.126 10.771 -7.010 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.424 9.986 -5.471 1.00 0.00 H new ATOM 1665 N PRO A 108 1.390 6.173 -5.751 1.00 0.00 N ATOM 1666 CA PRO A 108 2.399 5.113 -5.665 1.00 0.00 C ATOM 1667 C PRO A 108 3.683 5.474 -6.406 1.00 0.00 C ATOM 1668 O PRO A 108 3.642 5.992 -7.521 1.00 0.00 O ATOM 1669 CB PRO A 108 1.716 3.917 -6.332 1.00 0.00 C ATOM 1670 CG PRO A 108 0.715 4.519 -7.256 1.00 0.00 C ATOM 1671 CD PRO A 108 0.245 5.784 -6.592 1.00 0.00 C ATOM 0 HA PRO A 108 2.707 4.926 -4.636 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.435 3.302 -6.873 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.237 3.273 -5.595 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.160 4.731 -8.228 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -0.117 3.836 -7.428 1.00 0.00 H new ATOM 0 HD2 PRO A 108 0.003 6.555 -7.323 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.652 5.616 -5.997 1.00 0.00 H new ATOM 1679 N ALA A 109 4.821 5.196 -5.778 1.00 0.00 N ATOM 1680 CA ALA A 109 6.116 5.489 -6.379 1.00 0.00 C ATOM 1681 C ALA A 109 6.217 4.897 -7.781 1.00 0.00 C ATOM 1682 O ALA A 109 5.626 3.862 -8.088 1.00 0.00 O ATOM 1683 CB ALA A 109 7.238 4.959 -5.498 1.00 0.00 C ATOM 0 H ALA A 109 4.872 4.768 -4.853 1.00 0.00 H new ATOM 0 HA ALA A 109 6.214 6.571 -6.462 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.200 5.185 -5.959 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.185 5.432 -4.518 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.134 3.880 -5.386 1.00 0.00 H new ATOM 1689 N PRO A 110 6.983 5.568 -8.653 1.00 0.00 N ATOM 1690 CA PRO A 110 7.180 5.127 -10.037 1.00 0.00 C ATOM 1691 C PRO A 110 8.019 3.857 -10.127 1.00 0.00 C ATOM 1692 O PRO A 110 8.917 3.637 -9.315 1.00 0.00 O ATOM 1693 CB PRO A 110 7.917 6.302 -10.683 1.00 0.00 C ATOM 1694 CG PRO A 110 8.611 6.981 -9.553 1.00 0.00 C ATOM 1695 CD PRO A 110 7.718 6.809 -8.356 1.00 0.00 C ATOM 0 HA PRO A 110 6.237 4.879 -10.524 1.00 0.00 H new ATOM 0 HB2 PRO A 110 8.627 5.959 -11.435 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.223 6.977 -11.185 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.591 6.539 -9.375 1.00 0.00 H new ATOM 0 HG3 PRO A 110 8.772 8.037 -9.772 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.294 6.724 -7.434 1.00 0.00 H new ATOM 0 HD3 PRO A 110 7.043 7.656 -8.233 1.00 0.00 H new