USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 390 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 301 HIS : +bothHN:sc= 0.62! C(o=0.97!,f=-14!) USER MOD Set 1.2: B 211 TYR OH : rot 180:sc= 0.351 USER MOD Single : A 290 SER OG : rot 28:sc= 0.0964 USER MOD Single : A 291 THR OG1 : rot 180:sc= 0.0354 USER MOD Single : A 293 SER OG : rot -140:sc= -0.565 USER MOD Single : A 297 TYR OH : rot -144:sc= 0.371 USER MOD Single : A 302 ASN :FLIP amide:sc= -0.309 F(o=-1.6!,f=-0.31) USER MOD Single : A 303 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 305 THR OG1 : rot 53:sc= -0.939! USER MOD Single : A 306 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 307 GLN : amide:sc= 0 X(o=0,f=0.089) USER MOD Single : A 309 THR OG1 : rot 180:sc= 0 USER MOD Single : A 314 HIS : no HE2:sc= -1.52 K(o=-1.5,f=-2.5!) USER MOD Single : B 206 SER OG : rot 110:sc= 0.29 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl 155:sc= -0.255 (180deg=-1.02) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 280 12.920 11.324 -1.027 1.00 15.00 N ATOM 2 CA GLY A 280 13.002 9.861 -0.792 1.00 15.00 C ATOM 3 C GLY A 280 12.787 9.069 -2.066 1.00 15.00 C ATOM 4 O GLY A 280 11.900 9.395 -2.857 1.00 15.00 O ATOM 0 HA2 GLY A 280 13.978 9.615 -0.372 1.00 15.00 H new ATOM 0 HA3 GLY A 280 12.255 9.570 -0.054 1.00 15.00 H new ATOM 10 N PRO A 281 13.590 8.018 -2.298 1.00 15.00 N ATOM 11 CA PRO A 281 13.504 7.206 -3.507 1.00 15.00 C ATOM 12 C PRO A 281 12.339 6.224 -3.465 1.00 15.00 C ATOM 13 O PRO A 281 12.335 5.276 -2.674 1.00 15.00 O ATOM 14 CB PRO A 281 14.841 6.449 -3.546 1.00 15.00 C ATOM 15 CG PRO A 281 15.632 6.937 -2.371 1.00 15.00 C ATOM 16 CD PRO A 281 14.648 7.536 -1.409 1.00 15.00 C ATOM 0 HA PRO A 281 13.329 7.822 -4.389 1.00 15.00 H new ATOM 0 HB2 PRO A 281 14.681 5.372 -3.487 1.00 15.00 H new ATOM 0 HB3 PRO A 281 15.371 6.642 -4.479 1.00 15.00 H new ATOM 0 HG2 PRO A 281 16.179 6.117 -1.905 1.00 15.00 H new ATOM 0 HG3 PRO A 281 16.370 7.677 -2.681 1.00 15.00 H new ATOM 0 HD2 PRO A 281 14.276 6.799 -0.697 1.00 15.00 H new ATOM 0 HD3 PRO A 281 15.090 8.345 -0.828 1.00 15.00 H new ATOM 24 N LEU A 282 11.343 6.474 -4.299 1.00 15.00 N ATOM 25 CA LEU A 282 10.173 5.617 -4.379 1.00 15.00 C ATOM 26 C LEU A 282 9.603 5.658 -5.793 1.00 15.00 C ATOM 27 O LEU A 282 9.319 6.735 -6.318 1.00 15.00 O ATOM 28 CB LEU A 282 9.111 6.071 -3.368 1.00 15.00 C ATOM 29 CG LEU A 282 7.869 5.180 -3.275 1.00 15.00 C ATOM 30 CD1 LEU A 282 8.232 3.805 -2.735 1.00 15.00 C ATOM 31 CD2 LEU A 282 6.811 5.838 -2.402 1.00 15.00 C ATOM 0 H LEU A 282 11.323 7.271 -4.935 1.00 15.00 H new ATOM 0 HA LEU A 282 10.464 4.594 -4.140 1.00 15.00 H new ATOM 0 HB2 LEU A 282 9.572 6.126 -2.382 1.00 15.00 H new ATOM 0 HB3 LEU A 282 8.794 7.081 -3.628 1.00 15.00 H new ATOM 0 HG LEU A 282 7.460 5.052 -4.277 1.00 15.00 H new ATOM 0 HD11 LEU A 282 7.335 3.188 -2.677 1.00 15.00 H new ATOM 0 HD12 LEU A 282 8.955 3.332 -3.400 1.00 15.00 H new ATOM 0 HD13 LEU A 282 8.666 3.908 -1.741 1.00 15.00 H new ATOM 0 HD21 LEU A 282 5.934 5.193 -2.345 1.00 15.00 H new ATOM 0 HD22 LEU A 282 7.212 5.995 -1.401 1.00 15.00 H new ATOM 0 HD23 LEU A 282 6.528 6.798 -2.834 1.00 15.00 H new ATOM 43 N PRO A 283 9.458 4.489 -6.437 1.00 15.00 N ATOM 44 CA PRO A 283 8.854 4.386 -7.771 1.00 15.00 C ATOM 45 C PRO A 283 7.475 5.044 -7.825 1.00 15.00 C ATOM 46 O PRO A 283 6.636 4.817 -6.951 1.00 15.00 O ATOM 47 CB PRO A 283 8.733 2.877 -7.989 1.00 15.00 C ATOM 48 CG PRO A 283 9.786 2.281 -7.122 1.00 15.00 C ATOM 49 CD PRO A 283 9.882 3.176 -5.920 1.00 15.00 C ATOM 0 HA PRO A 283 9.447 4.892 -8.532 1.00 15.00 H new ATOM 0 HB2 PRO A 283 7.742 2.516 -7.713 1.00 15.00 H new ATOM 0 HB3 PRO A 283 8.888 2.615 -9.036 1.00 15.00 H new ATOM 0 HG2 PRO A 283 9.524 1.264 -6.832 1.00 15.00 H new ATOM 0 HG3 PRO A 283 10.740 2.227 -7.646 1.00 15.00 H new ATOM 0 HD2 PRO A 283 9.235 2.834 -5.112 1.00 15.00 H new ATOM 0 HD3 PRO A 283 10.897 3.209 -5.524 1.00 15.00 H new ATOM 57 N PRO A 284 7.211 5.843 -8.875 1.00 15.00 N ATOM 58 CA PRO A 284 5.970 6.629 -8.999 1.00 15.00 C ATOM 59 C PRO A 284 4.717 5.766 -9.172 1.00 15.00 C ATOM 60 O PRO A 284 3.604 6.283 -9.291 1.00 15.00 O ATOM 61 CB PRO A 284 6.210 7.480 -10.250 1.00 15.00 C ATOM 62 CG PRO A 284 7.222 6.723 -11.038 1.00 15.00 C ATOM 63 CD PRO A 284 8.108 6.053 -10.027 1.00 15.00 C ATOM 0 HA PRO A 284 5.777 7.207 -8.095 1.00 15.00 H new ATOM 0 HB2 PRO A 284 5.289 7.618 -10.817 1.00 15.00 H new ATOM 0 HB3 PRO A 284 6.575 8.473 -9.989 1.00 15.00 H new ATOM 0 HG2 PRO A 284 6.744 5.989 -11.687 1.00 15.00 H new ATOM 0 HG3 PRO A 284 7.796 7.390 -11.681 1.00 15.00 H new ATOM 0 HD2 PRO A 284 8.507 5.111 -10.403 1.00 15.00 H new ATOM 0 HD3 PRO A 284 8.961 6.678 -9.764 1.00 15.00 H new ATOM 71 N GLY A 285 4.905 4.457 -9.201 1.00 15.00 N ATOM 72 CA GLY A 285 3.784 3.545 -9.293 1.00 15.00 C ATOM 73 C GLY A 285 3.304 3.110 -7.926 1.00 15.00 C ATOM 74 O GLY A 285 2.203 2.574 -7.785 1.00 15.00 O ATOM 0 H GLY A 285 5.819 4.007 -9.162 1.00 15.00 H new ATOM 0 HA2 GLY A 285 2.966 4.026 -9.830 1.00 15.00 H new ATOM 0 HA3 GLY A 285 4.074 2.669 -9.873 1.00 15.00 H new ATOM 78 N TRP A 286 4.133 3.354 -6.917 1.00 15.00 N ATOM 79 CA TRP A 286 3.838 2.934 -5.557 1.00 15.00 C ATOM 80 C TRP A 286 3.088 4.017 -4.797 1.00 15.00 C ATOM 81 O TRP A 286 3.664 5.034 -4.416 1.00 15.00 O ATOM 82 CB TRP A 286 5.136 2.542 -4.828 1.00 15.00 C ATOM 83 CG TRP A 286 5.590 1.174 -5.224 1.00 15.00 C ATOM 84 CD1 TRP A 286 6.006 0.780 -6.461 1.00 15.00 C ATOM 85 CD2 TRP A 286 5.625 0.009 -4.397 1.00 15.00 C ATOM 86 NE1 TRP A 286 6.274 -0.563 -6.464 1.00 15.00 N ATOM 87 CE2 TRP A 286 6.044 -1.063 -5.212 1.00 15.00 C ATOM 88 CE3 TRP A 286 5.336 -0.245 -3.049 1.00 15.00 C ATOM 89 CZ2 TRP A 286 6.166 -2.362 -4.730 1.00 15.00 C ATOM 90 CZ3 TRP A 286 5.455 -1.534 -2.582 1.00 15.00 C ATOM 91 CH2 TRP A 286 5.854 -2.581 -3.418 1.00 15.00 C ATOM 0 H TRP A 286 5.021 3.845 -7.020 1.00 15.00 H new ATOM 0 HA TRP A 286 3.190 2.059 -5.601 1.00 15.00 H new ATOM 0 HB2 TRP A 286 5.917 3.267 -5.057 1.00 15.00 H new ATOM 0 HB3 TRP A 286 4.975 2.576 -3.751 1.00 15.00 H new ATOM 0 HD1 TRP A 286 6.109 1.433 -7.315 1.00 15.00 H new ATOM 0 HE1 TRP A 286 6.593 -1.102 -7.269 1.00 15.00 H new ATOM 0 HE3 TRP A 286 5.027 0.554 -2.391 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 6.495 -3.168 -5.369 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 5.235 -1.742 -1.545 1.00 15.00 H new ATOM 0 HH2 TRP A 286 5.917 -3.583 -3.019 1.00 15.00 H new ATOM 102 N GLU A 287 1.788 3.808 -4.612 1.00 15.00 N ATOM 103 CA GLU A 287 0.971 4.738 -3.862 1.00 15.00 C ATOM 104 C GLU A 287 0.950 4.288 -2.403 1.00 15.00 C ATOM 105 O GLU A 287 0.349 3.266 -2.061 1.00 15.00 O ATOM 106 CB GLU A 287 -0.430 4.773 -4.479 1.00 15.00 C ATOM 107 CG GLU A 287 -1.437 5.675 -3.780 1.00 15.00 C ATOM 108 CD GLU A 287 -1.272 7.132 -4.152 1.00 15.00 C ATOM 109 OE1 GLU A 287 -1.432 7.465 -5.350 1.00 15.00 O ATOM 110 OE2 GLU A 287 -1.005 7.951 -3.248 1.00 15.00 O1- ATOM 0 H GLU A 287 1.283 2.999 -4.975 1.00 15.00 H new ATOM 0 HA GLU A 287 1.374 5.750 -3.900 1.00 15.00 H new ATOM 0 HB2 GLU A 287 -0.342 5.094 -5.517 1.00 15.00 H new ATOM 0 HB3 GLU A 287 -0.827 3.758 -4.492 1.00 15.00 H new ATOM 0 HG2 GLU A 287 -2.446 5.351 -4.034 1.00 15.00 H new ATOM 0 HG3 GLU A 287 -1.329 5.565 -2.701 1.00 15.00 H new ATOM 117 N VAL A 288 1.661 5.024 -1.559 1.00 15.00 N ATOM 118 CA VAL A 288 1.907 4.593 -0.189 1.00 15.00 C ATOM 119 C VAL A 288 0.940 5.244 0.796 1.00 15.00 C ATOM 120 O VAL A 288 0.732 6.457 0.779 1.00 15.00 O ATOM 121 CB VAL A 288 3.368 4.883 0.234 1.00 15.00 C ATOM 122 CG1 VAL A 288 3.709 6.359 0.075 1.00 15.00 C ATOM 123 CG2 VAL A 288 3.620 4.422 1.663 1.00 15.00 C ATOM 0 H VAL A 288 2.078 5.923 -1.799 1.00 15.00 H new ATOM 0 HA VAL A 288 1.740 3.516 -0.163 1.00 15.00 H new ATOM 0 HB VAL A 288 4.023 4.317 -0.429 1.00 15.00 H new ATOM 0 HG11 VAL A 288 4.741 6.529 0.380 1.00 15.00 H new ATOM 0 HG12 VAL A 288 3.587 6.650 -0.968 1.00 15.00 H new ATOM 0 HG13 VAL A 288 3.043 6.955 0.699 1.00 15.00 H new ATOM 0 HG21 VAL A 288 4.653 4.636 1.938 1.00 15.00 H new ATOM 0 HG22 VAL A 288 2.948 4.950 2.339 1.00 15.00 H new ATOM 0 HG23 VAL A 288 3.440 3.349 1.736 1.00 15.00 H new ATOM 133 N ARG A 289 0.347 4.418 1.650 1.00 15.00 N ATOM 134 CA ARG A 289 -0.583 4.885 2.666 1.00 15.00 C ATOM 135 C ARG A 289 -0.345 4.146 3.984 1.00 15.00 C ATOM 136 O ARG A 289 0.080 2.990 3.989 1.00 15.00 O ATOM 137 CB ARG A 289 -2.027 4.686 2.197 1.00 15.00 C ATOM 138 CG ARG A 289 -2.479 5.671 1.132 1.00 15.00 C ATOM 139 CD ARG A 289 -2.186 7.109 1.530 1.00 15.00 C ATOM 140 NE ARG A 289 -2.678 7.417 2.866 1.00 15.00 N ATOM 141 CZ ARG A 289 -2.005 8.135 3.763 1.00 15.00 C ATOM 142 NH1 ARG A 289 -0.837 8.686 3.449 1.00 15.00 N1+ ATOM 143 NH2 ARG A 289 -2.499 8.299 4.980 1.00 15.00 N ATOM 0 H ARG A 289 0.498 3.409 1.656 1.00 15.00 H new ATOM 0 HA ARG A 289 -0.414 5.949 2.829 1.00 15.00 H new ATOM 0 HB2 ARG A 289 -2.134 3.673 1.808 1.00 15.00 H new ATOM 0 HB3 ARG A 289 -2.691 4.769 3.057 1.00 15.00 H new ATOM 0 HG2 ARG A 289 -1.977 5.445 0.191 1.00 15.00 H new ATOM 0 HG3 ARG A 289 -3.549 5.553 0.958 1.00 15.00 H new ATOM 0 HD2 ARG A 289 -1.111 7.284 1.490 1.00 15.00 H new ATOM 0 HD3 ARG A 289 -2.646 7.785 0.810 1.00 15.00 H new ATOM 0 HE ARG A 289 -3.596 7.060 3.131 1.00 15.00 H new ATOM 0 HH11 ARG A 289 -0.449 8.561 2.514 1.00 15.00 H new ATOM 0 HH12 ARG A 289 -0.329 9.234 4.143 1.00 15.00 H new ATOM 0 HH21 ARG A 289 -3.393 7.876 5.229 1.00 15.00 H new ATOM 0 HH22 ARG A 289 -1.986 8.849 5.669 1.00 15.00 H new ATOM 157 N SER A 290 -0.626 4.812 5.096 1.00 15.00 N ATOM 158 CA SER A 290 -0.405 4.238 6.417 1.00 15.00 C ATOM 159 C SER A 290 -1.710 4.171 7.207 1.00 15.00 C ATOM 160 O SER A 290 -2.432 5.160 7.299 1.00 15.00 O ATOM 161 CB SER A 290 0.621 5.083 7.171 1.00 15.00 C ATOM 162 OG SER A 290 0.243 6.451 7.175 1.00 15.00 O ATOM 0 H SER A 290 -1.010 5.757 5.109 1.00 15.00 H new ATOM 0 HA SER A 290 -0.028 3.222 6.300 1.00 15.00 H new ATOM 0 HB2 SER A 290 0.712 4.723 8.196 1.00 15.00 H new ATOM 0 HB3 SER A 290 1.601 4.973 6.706 1.00 15.00 H new ATOM 0 HG SER A 290 -0.733 6.521 7.117 1.00 15.00 H new ATOM 168 N THR A 291 -1.991 3.016 7.798 1.00 15.00 N ATOM 169 CA THR A 291 -3.213 2.827 8.567 1.00 15.00 C ATOM 170 C THR A 291 -2.990 3.203 10.030 1.00 15.00 C ATOM 171 O THR A 291 -1.882 3.045 10.554 1.00 15.00 O ATOM 172 CB THR A 291 -3.697 1.365 8.486 1.00 15.00 C ATOM 173 OG1 THR A 291 -2.755 0.572 7.750 1.00 15.00 O ATOM 174 CG2 THR A 291 -5.067 1.273 7.827 1.00 15.00 C ATOM 0 H THR A 291 -1.387 2.195 7.759 1.00 15.00 H new ATOM 0 HA THR A 291 -3.976 3.477 8.138 1.00 15.00 H new ATOM 0 HB THR A 291 -3.778 0.983 9.504 1.00 15.00 H new ATOM 0 HG1 THR A 291 -3.071 -0.355 7.706 1.00 15.00 H new ATOM 0 HG21 THR A 291 -5.381 0.230 7.784 1.00 15.00 H new ATOM 0 HG22 THR A 291 -5.789 1.846 8.408 1.00 15.00 H new ATOM 0 HG23 THR A 291 -5.012 1.677 6.816 1.00 15.00 H new ATOM 182 N VAL A 292 -4.053 3.683 10.687 1.00 15.00 N ATOM 183 CA VAL A 292 -3.983 4.151 12.076 1.00 15.00 C ATOM 184 C VAL A 292 -3.544 3.031 13.029 1.00 15.00 C ATOM 185 O VAL A 292 -3.117 3.283 14.155 1.00 15.00 O ATOM 186 CB VAL A 292 -5.346 4.734 12.534 1.00 15.00 C ATOM 187 CG1 VAL A 292 -6.409 3.647 12.625 1.00 15.00 C ATOM 188 CG2 VAL A 292 -5.210 5.471 13.860 1.00 15.00 C ATOM 0 H VAL A 292 -4.982 3.758 10.273 1.00 15.00 H new ATOM 0 HA VAL A 292 -3.232 4.940 12.112 1.00 15.00 H new ATOM 0 HB VAL A 292 -5.666 5.453 11.780 1.00 15.00 H new ATOM 0 HG11 VAL A 292 -7.352 4.087 12.948 1.00 15.00 H new ATOM 0 HG12 VAL A 292 -6.541 3.184 11.647 1.00 15.00 H new ATOM 0 HG13 VAL A 292 -6.096 2.891 13.345 1.00 15.00 H new ATOM 0 HG21 VAL A 292 -6.181 5.869 14.156 1.00 15.00 H new ATOM 0 HG22 VAL A 292 -4.852 4.781 14.624 1.00 15.00 H new ATOM 0 HG23 VAL A 292 -4.500 6.291 13.749 1.00 15.00 H new ATOM 198 N SER A 293 -3.640 1.796 12.555 1.00 15.00 N ATOM 199 CA SER A 293 -3.172 0.635 13.299 1.00 15.00 C ATOM 200 C SER A 293 -1.649 0.655 13.455 1.00 15.00 C ATOM 201 O SER A 293 -1.085 -0.091 14.256 1.00 15.00 O ATOM 202 CB SER A 293 -3.626 -0.649 12.603 1.00 15.00 C ATOM 203 OG SER A 293 -3.462 -0.552 11.195 1.00 15.00 O ATOM 0 H SER A 293 -4.044 1.571 11.646 1.00 15.00 H new ATOM 0 HA SER A 293 -3.607 0.669 14.298 1.00 15.00 H new ATOM 0 HB2 SER A 293 -3.052 -1.494 12.982 1.00 15.00 H new ATOM 0 HB3 SER A 293 -4.672 -0.843 12.838 1.00 15.00 H new ATOM 0 HG SER A 293 -4.229 -0.966 10.747 1.00 15.00 H new ATOM 209 N GLY A 294 -0.993 1.507 12.674 1.00 15.00 N ATOM 210 CA GLY A 294 0.453 1.546 12.646 1.00 15.00 C ATOM 211 C GLY A 294 1.003 0.610 11.601 1.00 15.00 C ATOM 212 O GLY A 294 2.129 0.125 11.705 1.00 15.00 O ATOM 0 H GLY A 294 -1.446 2.178 12.054 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.788 2.563 12.440 1.00 15.00 H new ATOM 0 HA3 GLY A 294 0.846 1.273 13.625 1.00 15.00 H new ATOM 216 N ARG A 295 0.203 0.380 10.573 1.00 15.00 N ATOM 217 CA ARG A 295 0.576 -0.532 9.508 1.00 15.00 C ATOM 218 C ARG A 295 0.808 0.217 8.213 1.00 15.00 C ATOM 219 O ARG A 295 0.118 1.187 7.912 1.00 15.00 O ATOM 220 CB ARG A 295 -0.510 -1.592 9.294 1.00 15.00 C ATOM 221 CG ARG A 295 -0.479 -2.701 10.326 1.00 15.00 C ATOM 222 CD ARG A 295 -1.401 -3.855 9.961 1.00 15.00 C ATOM 223 NE ARG A 295 -2.810 -3.513 10.115 1.00 15.00 N ATOM 224 CZ ARG A 295 -3.755 -4.412 10.369 1.00 15.00 C ATOM 225 NH1 ARG A 295 -3.424 -5.685 10.552 1.00 15.00 N1+ ATOM 226 NH2 ARG A 295 -5.024 -4.038 10.460 1.00 15.00 N ATOM 0 H ARG A 295 -0.712 0.815 10.455 1.00 15.00 H new ATOM 0 HA ARG A 295 1.502 -1.024 9.806 1.00 15.00 H new ATOM 0 HB2 ARG A 295 -1.487 -1.110 9.318 1.00 15.00 H new ATOM 0 HB3 ARG A 295 -0.393 -2.026 8.301 1.00 15.00 H new ATOM 0 HG2 ARG A 295 0.541 -3.072 10.427 1.00 15.00 H new ATOM 0 HG3 ARG A 295 -0.770 -2.299 11.297 1.00 15.00 H new ATOM 0 HD2 ARG A 295 -1.213 -4.154 8.930 1.00 15.00 H new ATOM 0 HD3 ARG A 295 -1.168 -4.715 10.589 1.00 15.00 H new ATOM 0 HE ARG A 295 -3.084 -2.535 10.023 1.00 15.00 H new ATOM 0 HH11 ARG A 295 -2.446 -5.971 10.497 1.00 15.00 H new ATOM 0 HH12 ARG A 295 -4.147 -6.377 10.747 1.00 15.00 H new ATOM 0 HH21 ARG A 295 -5.277 -3.058 10.335 1.00 15.00 H new ATOM 0 HH22 ARG A 295 -5.747 -4.731 10.655 1.00 15.00 H new ATOM 240 N ILE A 296 1.767 -0.254 7.442 1.00 15.00 N ATOM 241 CA ILE A 296 1.988 0.268 6.113 1.00 15.00 C ATOM 242 C ILE A 296 1.141 -0.547 5.145 1.00 15.00 C ATOM 243 O ILE A 296 1.012 -1.762 5.303 1.00 15.00 O ATOM 244 CB ILE A 296 3.490 0.199 5.722 1.00 15.00 C ATOM 245 CG1 ILE A 296 3.739 0.878 4.371 1.00 15.00 C ATOM 246 CG2 ILE A 296 3.985 -1.241 5.694 1.00 15.00 C ATOM 247 CD1 ILE A 296 3.524 2.376 4.402 1.00 15.00 C ATOM 0 H ILE A 296 2.407 -1.000 7.716 1.00 15.00 H new ATOM 0 HA ILE A 296 1.700 1.319 6.077 1.00 15.00 H new ATOM 0 HB ILE A 296 4.053 0.737 6.484 1.00 15.00 H new ATOM 0 HG12 ILE A 296 4.761 0.672 4.052 1.00 15.00 H new ATOM 0 HG13 ILE A 296 3.077 0.439 3.625 1.00 15.00 H new ATOM 0 HG21 ILE A 296 5.039 -1.258 5.417 1.00 15.00 H new ATOM 0 HG22 ILE A 296 3.862 -1.687 6.681 1.00 15.00 H new ATOM 0 HG23 ILE A 296 3.409 -1.810 4.964 1.00 15.00 H new ATOM 0 HD11 ILE A 296 3.717 2.792 3.413 1.00 15.00 H new ATOM 0 HD12 ILE A 296 2.495 2.590 4.691 1.00 15.00 H new ATOM 0 HD13 ILE A 296 4.205 2.826 5.125 1.00 15.00 H new ATOM 259 N TYR A 297 0.536 0.102 4.168 1.00 15.00 N ATOM 260 CA TYR A 297 -0.363 -0.604 3.280 1.00 15.00 C ATOM 261 C TYR A 297 -0.314 0.014 1.910 1.00 15.00 C ATOM 262 O TYR A 297 -0.490 1.221 1.733 1.00 15.00 O ATOM 263 CB TYR A 297 -1.804 -0.674 3.831 1.00 15.00 C ATOM 264 CG TYR A 297 -2.656 0.579 3.705 1.00 15.00 C ATOM 265 CD1 TYR A 297 -3.439 0.799 2.573 1.00 15.00 C ATOM 266 CD2 TYR A 297 -2.725 1.507 4.735 1.00 15.00 C ATOM 267 CE1 TYR A 297 -4.252 1.913 2.472 1.00 15.00 C ATOM 268 CE2 TYR A 297 -3.546 2.618 4.644 1.00 15.00 C ATOM 269 CZ TYR A 297 -4.306 2.817 3.512 1.00 15.00 C ATOM 270 OH TYR A 297 -5.131 3.917 3.419 1.00 15.00 O ATOM 0 H TYR A 297 0.648 1.097 3.972 1.00 15.00 H new ATOM 0 HA TYR A 297 -0.025 -1.638 3.208 1.00 15.00 H new ATOM 0 HB2 TYR A 297 -2.321 -1.487 3.322 1.00 15.00 H new ATOM 0 HB3 TYR A 297 -1.750 -0.941 4.886 1.00 15.00 H new ATOM 0 HD1 TYR A 297 -3.410 0.087 1.761 1.00 15.00 H new ATOM 0 HD2 TYR A 297 -2.128 1.360 5.623 1.00 15.00 H new ATOM 0 HE1 TYR A 297 -4.842 2.074 1.582 1.00 15.00 H new ATOM 0 HE2 TYR A 297 -3.591 3.327 5.458 1.00 15.00 H new ATOM 0 HH TYR A 297 -4.701 4.686 3.848 1.00 15.00 H new ATOM 280 N PHE A 298 -0.038 -0.822 0.949 1.00 15.00 N ATOM 281 CA PHE A 298 0.153 -0.378 -0.392 1.00 15.00 C ATOM 282 C PHE A 298 -1.050 -0.518 -1.258 1.00 15.00 C ATOM 283 O PHE A 298 -1.844 -1.442 -1.125 1.00 15.00 O ATOM 284 CB PHE A 298 1.297 -1.122 -1.009 1.00 15.00 C ATOM 285 CG PHE A 298 2.552 -0.403 -0.777 1.00 15.00 C ATOM 286 CD1 PHE A 298 2.711 0.849 -1.329 1.00 15.00 C ATOM 287 CD2 PHE A 298 3.564 -0.955 -0.024 1.00 15.00 C ATOM 288 CE1 PHE A 298 3.863 1.546 -1.142 1.00 15.00 C ATOM 289 CE2 PHE A 298 4.732 -0.264 0.159 1.00 15.00 C ATOM 290 CZ PHE A 298 4.874 0.986 -0.405 1.00 15.00 C ATOM 0 H PHE A 298 0.060 -1.829 1.079 1.00 15.00 H new ATOM 0 HA PHE A 298 0.364 0.690 -0.329 1.00 15.00 H new ATOM 0 HB2 PHE A 298 1.360 -2.124 -0.585 1.00 15.00 H new ATOM 0 HB3 PHE A 298 1.129 -1.239 -2.080 1.00 15.00 H new ATOM 0 HD1 PHE A 298 1.913 1.281 -1.915 1.00 15.00 H new ATOM 0 HD2 PHE A 298 3.437 -1.931 0.421 1.00 15.00 H new ATOM 0 HE1 PHE A 298 3.980 2.531 -1.570 1.00 15.00 H new ATOM 0 HE2 PHE A 298 5.535 -0.694 0.740 1.00 15.00 H new ATOM 0 HZ PHE A 298 5.795 1.532 -0.264 1.00 15.00 H new ATOM 300 N VAL A 299 -1.118 0.404 -2.181 1.00 15.00 N ATOM 301 CA VAL A 299 -2.075 0.372 -3.247 1.00 15.00 C ATOM 302 C VAL A 299 -1.340 0.735 -4.538 1.00 15.00 C ATOM 303 O VAL A 299 -0.895 1.870 -4.745 1.00 15.00 O ATOM 304 CB VAL A 299 -3.309 1.284 -2.970 1.00 15.00 C ATOM 305 CG1 VAL A 299 -4.149 0.718 -1.830 1.00 15.00 C ATOM 306 CG2 VAL A 299 -2.907 2.707 -2.634 1.00 15.00 C ATOM 0 H VAL A 299 -0.497 1.212 -2.211 1.00 15.00 H new ATOM 0 HA VAL A 299 -2.498 -0.628 -3.339 1.00 15.00 H new ATOM 0 HB VAL A 299 -3.896 1.304 -3.888 1.00 15.00 H new ATOM 0 HG11 VAL A 299 -5.005 1.368 -1.652 1.00 15.00 H new ATOM 0 HG12 VAL A 299 -4.500 -0.279 -2.097 1.00 15.00 H new ATOM 0 HG13 VAL A 299 -3.543 0.660 -0.926 1.00 15.00 H new ATOM 0 HG21 VAL A 299 -3.800 3.303 -2.449 1.00 15.00 H new ATOM 0 HG22 VAL A 299 -2.280 2.707 -1.742 1.00 15.00 H new ATOM 0 HG23 VAL A 299 -2.351 3.135 -3.468 1.00 15.00 H new ATOM 316 N ASP A 300 -1.107 -0.279 -5.353 1.00 15.00 N ATOM 317 CA ASP A 300 -0.341 -0.111 -6.577 1.00 15.00 C ATOM 318 C ASP A 300 -1.278 0.206 -7.729 1.00 15.00 C ATOM 319 O ASP A 300 -2.337 -0.416 -7.873 1.00 15.00 O ATOM 320 CB ASP A 300 0.505 -1.362 -6.867 1.00 15.00 C ATOM 321 CG ASP A 300 0.104 -2.079 -8.139 1.00 15.00 C ATOM 322 OD1 ASP A 300 0.534 -1.652 -9.232 1.00 15.00 O ATOM 323 OD2 ASP A 300 -0.642 -3.070 -8.048 1.00 15.00 O1- ATOM 0 H ASP A 300 -1.438 -1.230 -5.189 1.00 15.00 H new ATOM 0 HA ASP A 300 0.348 0.725 -6.455 1.00 15.00 H new ATOM 0 HB2 ASP A 300 1.554 -1.074 -6.937 1.00 15.00 H new ATOM 0 HB3 ASP A 300 0.419 -2.052 -6.028 1.00 15.00 H new ATOM 328 N HIS A 301 -0.866 1.165 -8.548 1.00 15.00 N ATOM 329 CA HIS A 301 -1.718 1.712 -9.594 1.00 15.00 C ATOM 330 C HIS A 301 -1.682 0.890 -10.884 1.00 15.00 C ATOM 331 O HIS A 301 -2.531 1.073 -11.752 1.00 15.00 O ATOM 332 CB HIS A 301 -1.310 3.158 -9.912 1.00 15.00 C ATOM 333 CG HIS A 301 -1.763 4.180 -8.907 1.00 15.00 C ATOM 334 ND1 HIS A 301 -3.078 4.325 -8.528 1.00 15.00 N ATOM 335 CD2 HIS A 301 -1.077 5.157 -8.259 1.00 15.00 C ATOM 336 CE1 HIS A 301 -3.185 5.359 -7.708 1.00 15.00 C ATOM 337 NE2 HIS A 301 -1.986 5.876 -7.519 1.00 15.00 N ATOM 0 H HIS A 301 0.063 1.583 -8.506 1.00 15.00 H new ATOM 0 HA HIS A 301 -2.737 1.679 -9.208 1.00 15.00 H new ATOM 0 HB2 HIS A 301 -0.224 3.204 -9.991 1.00 15.00 H new ATOM 0 HB3 HIS A 301 -1.712 3.427 -10.889 1.00 15.00 H new ATOM 0 HD1 HIS A 301 -3.849 3.730 -8.831 1.00 15.00 H new ATOM 0 HD2 HIS A 301 -0.013 5.336 -8.315 1.00 15.00 H new ATOM 0 HE1 HIS A 301 -4.102 5.720 -7.267 1.00 15.00 H new ATOM 0 HE2 HIS A 301 -1.770 6.675 -6.924 1.00 15.00 H new ATOM 346 N ASN A 302 -0.707 0.000 -11.023 1.00 15.00 N ATOM 347 CA ASN A 302 -0.539 -0.734 -12.278 1.00 15.00 C ATOM 348 C ASN A 302 -1.206 -2.099 -12.235 1.00 15.00 C ATOM 349 O ASN A 302 -1.865 -2.502 -13.195 1.00 15.00 O ATOM 350 CB ASN A 302 0.939 -0.883 -12.645 1.00 15.00 C ATOM 351 CG ASN A 302 1.436 0.269 -13.497 1.00 15.00 C ATOM 352 OD1 ASN A 302 0.574 0.772 -14.369 1.00 15.00 O flip ATOM 353 ND2 ASN A 302 2.589 0.691 -13.390 1.00 15.00 N flip ATOM 0 H ASN A 302 -0.029 -0.231 -10.297 1.00 15.00 H new ATOM 0 HA ASN A 302 -1.032 -0.143 -13.050 1.00 15.00 H new ATOM 0 HB2 ASN A 302 1.534 -0.942 -11.734 1.00 15.00 H new ATOM 0 HB3 ASN A 302 1.086 -1.820 -13.182 1.00 15.00 H new ATOM 0 HD21 ASN A 302 3.222 0.277 -12.706 1.00 15.00 H new ATOM 0 HD22 ASN A 302 2.910 1.455 -13.985 1.00 15.00 H new ATOM 360 N ASN A 303 -1.010 -2.820 -11.149 1.00 15.00 N ATOM 361 CA ASN A 303 -1.634 -4.127 -10.976 1.00 15.00 C ATOM 362 C ASN A 303 -2.946 -4.001 -10.205 1.00 15.00 C ATOM 363 O ASN A 303 -3.749 -4.938 -10.178 1.00 15.00 O ATOM 364 CB ASN A 303 -0.698 -5.091 -10.241 1.00 15.00 C ATOM 365 CG ASN A 303 0.650 -5.253 -10.911 1.00 15.00 C ATOM 366 OD1 ASN A 303 0.765 -5.201 -12.136 1.00 15.00 O ATOM 367 ND2 ASN A 303 1.686 -5.450 -10.109 1.00 15.00 N ATOM 0 H ASN A 303 -0.423 -2.526 -10.368 1.00 15.00 H new ATOM 0 HA ASN A 303 -1.840 -4.527 -11.969 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -0.548 -4.733 -9.222 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -1.178 -6.067 -10.169 1.00 15.00 H new ATOM 0 HD21 ASN A 303 2.620 -5.565 -10.502 1.00 15.00 H new ATOM 0 HD22 ASN A 303 1.549 -5.487 -9.099 1.00 15.00 H new ATOM 374 N ARG A 304 -3.140 -2.840 -9.567 1.00 15.00 N ATOM 375 CA ARG A 304 -4.273 -2.602 -8.671 1.00 15.00 C ATOM 376 C ARG A 304 -4.213 -3.575 -7.498 1.00 15.00 C ATOM 377 O ARG A 304 -5.091 -4.422 -7.323 1.00 15.00 O ATOM 378 CB ARG A 304 -5.616 -2.721 -9.404 1.00 15.00 C ATOM 379 CG ARG A 304 -5.743 -1.804 -10.609 1.00 15.00 C ATOM 380 CD ARG A 304 -6.883 -2.236 -11.520 1.00 15.00 C ATOM 381 NE ARG A 304 -6.610 -3.529 -12.141 1.00 15.00 N ATOM 382 CZ ARG A 304 -7.491 -4.520 -12.232 1.00 15.00 C ATOM 383 NH1 ARG A 304 -8.702 -4.389 -11.706 1.00 15.00 N1+ ATOM 384 NH2 ARG A 304 -7.152 -5.653 -12.835 1.00 15.00 N ATOM 0 H ARG A 304 -2.514 -2.040 -9.659 1.00 15.00 H new ATOM 0 HA ARG A 304 -4.201 -1.580 -8.298 1.00 15.00 H new ATOM 0 HB2 ARG A 304 -5.751 -3.753 -9.729 1.00 15.00 H new ATOM 0 HB3 ARG A 304 -6.422 -2.499 -8.704 1.00 15.00 H new ATOM 0 HG2 ARG A 304 -5.912 -0.781 -10.273 1.00 15.00 H new ATOM 0 HG3 ARG A 304 -4.808 -1.805 -11.169 1.00 15.00 H new ATOM 0 HD2 ARG A 304 -7.807 -2.295 -10.945 1.00 15.00 H new ATOM 0 HD3 ARG A 304 -7.036 -1.484 -12.294 1.00 15.00 H new ATOM 0 HE ARG A 304 -5.680 -3.682 -12.531 1.00 15.00 H new ATOM 0 HH11 ARG A 304 -8.960 -3.525 -11.229 1.00 15.00 H new ATOM 0 HH12 ARG A 304 -9.375 -5.152 -11.778 1.00 15.00 H new ATOM 0 HH21 ARG A 304 -6.217 -5.762 -13.227 1.00 15.00 H new ATOM 0 HH22 ARG A 304 -7.827 -6.415 -12.906 1.00 15.00 H new ATOM 398 N THR A 305 -3.154 -3.460 -6.710 1.00 15.00 N ATOM 399 CA THR A 305 -2.898 -4.416 -5.638 1.00 15.00 C ATOM 400 C THR A 305 -2.792 -3.723 -4.284 1.00 15.00 C ATOM 401 O THR A 305 -2.379 -2.566 -4.202 1.00 15.00 O ATOM 402 CB THR A 305 -1.591 -5.195 -5.900 1.00 15.00 C ATOM 403 OG1 THR A 305 -1.445 -5.436 -7.302 1.00 15.00 O ATOM 404 CG2 THR A 305 -1.584 -6.524 -5.156 1.00 15.00 C ATOM 0 H THR A 305 -2.459 -2.718 -6.791 1.00 15.00 H new ATOM 0 HA THR A 305 -3.742 -5.106 -5.619 1.00 15.00 H new ATOM 0 HB THR A 305 -0.759 -4.592 -5.538 1.00 15.00 H new ATOM 0 HG1 THR A 305 -1.521 -4.589 -7.789 1.00 15.00 H new ATOM 0 HG21 THR A 305 -0.651 -7.050 -5.360 1.00 15.00 H new ATOM 0 HG22 THR A 305 -1.671 -6.342 -4.085 1.00 15.00 H new ATOM 0 HG23 THR A 305 -2.424 -7.133 -5.490 1.00 15.00 H new ATOM 412 N THR A 306 -3.171 -4.434 -3.229 1.00 15.00 N ATOM 413 CA THR A 306 -3.050 -3.924 -1.876 1.00 15.00 C ATOM 414 C THR A 306 -2.212 -4.875 -1.019 1.00 15.00 C ATOM 415 O THR A 306 -2.629 -5.996 -0.732 1.00 15.00 O ATOM 416 CB THR A 306 -4.433 -3.725 -1.230 1.00 15.00 C ATOM 417 OG1 THR A 306 -5.271 -2.957 -2.104 1.00 15.00 O ATOM 418 CG2 THR A 306 -4.299 -3.009 0.103 1.00 15.00 C ATOM 0 H THR A 306 -3.567 -5.372 -3.290 1.00 15.00 H new ATOM 0 HA THR A 306 -2.552 -2.956 -1.930 1.00 15.00 H new ATOM 0 HB THR A 306 -4.882 -4.704 -1.061 1.00 15.00 H new ATOM 0 HG1 THR A 306 -6.150 -2.834 -1.689 1.00 15.00 H new ATOM 0 HG21 THR A 306 -5.286 -2.877 0.546 1.00 15.00 H new ATOM 0 HG22 THR A 306 -3.677 -3.602 0.774 1.00 15.00 H new ATOM 0 HG23 THR A 306 -3.837 -2.034 -0.053 1.00 15.00 H new ATOM 426 N GLN A 307 -1.032 -4.415 -0.616 1.00 15.00 N ATOM 427 CA GLN A 307 -0.081 -5.249 0.117 1.00 15.00 C ATOM 428 C GLN A 307 0.209 -4.665 1.498 1.00 15.00 C ATOM 429 O GLN A 307 0.482 -3.477 1.623 1.00 15.00 O ATOM 430 CB GLN A 307 1.234 -5.349 -0.667 1.00 15.00 C ATOM 431 CG GLN A 307 1.088 -5.958 -2.054 1.00 15.00 C ATOM 432 CD GLN A 307 0.776 -7.440 -2.012 1.00 15.00 C ATOM 433 OE1 GLN A 307 -0.384 -7.842 -1.964 1.00 15.00 O ATOM 434 NE2 GLN A 307 1.813 -8.260 -2.049 1.00 15.00 N ATOM 0 H GLN A 307 -0.708 -3.463 -0.785 1.00 15.00 H new ATOM 0 HA GLN A 307 -0.523 -6.238 0.237 1.00 15.00 H new ATOM 0 HB2 GLN A 307 1.663 -4.352 -0.764 1.00 15.00 H new ATOM 0 HB3 GLN A 307 1.942 -5.947 -0.093 1.00 15.00 H new ATOM 0 HG2 GLN A 307 0.295 -5.439 -2.593 1.00 15.00 H new ATOM 0 HG3 GLN A 307 2.010 -5.801 -2.614 1.00 15.00 H new ATOM 0 HE21 GLN A 307 2.760 -7.883 -2.088 1.00 15.00 H new ATOM 0 HE22 GLN A 307 1.666 -9.269 -2.038 1.00 15.00 H new ATOM 443 N PHE A 308 0.165 -5.503 2.528 1.00 15.00 N ATOM 444 CA PHE A 308 0.578 -5.081 3.869 1.00 15.00 C ATOM 445 C PHE A 308 2.096 -5.177 4.014 1.00 15.00 C ATOM 446 O PHE A 308 2.669 -4.727 5.006 1.00 15.00 O ATOM 447 CB PHE A 308 -0.102 -5.917 4.968 1.00 15.00 C ATOM 448 CG PHE A 308 -1.298 -5.248 5.603 1.00 15.00 C ATOM 449 CD1 PHE A 308 -1.339 -3.872 5.760 1.00 15.00 C ATOM 450 CD2 PHE A 308 -2.371 -5.996 6.064 1.00 15.00 C ATOM 451 CE1 PHE A 308 -2.425 -3.258 6.361 1.00 15.00 C ATOM 452 CE2 PHE A 308 -3.457 -5.388 6.657 1.00 15.00 C ATOM 453 CZ PHE A 308 -3.487 -4.019 6.806 1.00 15.00 C ATOM 0 H PHE A 308 -0.149 -6.471 2.465 1.00 15.00 H new ATOM 0 HA PHE A 308 0.265 -4.044 3.992 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -0.416 -6.870 4.542 1.00 15.00 H new ATOM 0 HB3 PHE A 308 0.630 -6.141 5.744 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -0.513 -3.271 5.409 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -2.356 -7.071 5.957 1.00 15.00 H new ATOM 0 HE1 PHE A 308 -2.441 -2.185 6.481 1.00 15.00 H new ATOM 0 HE2 PHE A 308 -4.286 -5.986 7.005 1.00 15.00 H new ATOM 0 HZ PHE A 308 -4.338 -3.543 7.269 1.00 15.00 H new ATOM 463 N THR A 309 2.733 -5.791 3.030 1.00 15.00 N ATOM 464 CA THR A 309 4.173 -5.993 3.054 1.00 15.00 C ATOM 465 C THR A 309 4.907 -4.861 2.327 1.00 15.00 C ATOM 466 O THR A 309 4.690 -4.636 1.135 1.00 15.00 O ATOM 467 CB THR A 309 4.535 -7.336 2.395 1.00 15.00 C ATOM 468 OG1 THR A 309 3.672 -8.369 2.890 1.00 15.00 O ATOM 469 CG2 THR A 309 5.984 -7.710 2.672 1.00 15.00 C ATOM 0 H THR A 309 2.272 -6.161 2.199 1.00 15.00 H new ATOM 0 HA THR A 309 4.487 -5.999 4.098 1.00 15.00 H new ATOM 0 HB THR A 309 4.405 -7.231 1.318 1.00 15.00 H new ATOM 0 HG1 THR A 309 3.905 -9.221 2.466 1.00 15.00 H new ATOM 0 HG21 THR A 309 6.211 -8.663 2.194 1.00 15.00 H new ATOM 0 HG22 THR A 309 6.642 -6.938 2.273 1.00 15.00 H new ATOM 0 HG23 THR A 309 6.138 -7.797 3.748 1.00 15.00 H new ATOM 477 N ASP A 310 5.762 -4.145 3.052 1.00 15.00 N ATOM 478 CA ASP A 310 6.585 -3.092 2.457 1.00 15.00 C ATOM 479 C ASP A 310 7.971 -3.648 2.122 1.00 15.00 C ATOM 480 O ASP A 310 8.685 -4.133 3.004 1.00 15.00 O ATOM 481 CB ASP A 310 6.709 -1.900 3.418 1.00 15.00 C ATOM 482 CG ASP A 310 7.429 -0.709 2.809 1.00 15.00 C ATOM 483 OD1 ASP A 310 8.627 -0.828 2.495 1.00 15.00 O1- ATOM 484 OD2 ASP A 310 6.800 0.356 2.655 1.00 15.00 O ATOM 0 H ASP A 310 5.904 -4.274 4.054 1.00 15.00 H new ATOM 0 HA ASP A 310 6.107 -2.746 1.540 1.00 15.00 H new ATOM 0 HB2 ASP A 310 5.712 -1.591 3.733 1.00 15.00 H new ATOM 0 HB3 ASP A 310 7.242 -2.219 4.314 1.00 15.00 H new ATOM 489 N PRO A 311 8.365 -3.592 0.840 1.00 15.00 N ATOM 490 CA PRO A 311 9.641 -4.144 0.362 1.00 15.00 C ATOM 491 C PRO A 311 10.840 -3.259 0.698 1.00 15.00 C ATOM 492 O PRO A 311 11.991 -3.680 0.592 1.00 15.00 O ATOM 493 CB PRO A 311 9.435 -4.211 -1.147 1.00 15.00 C ATOM 494 CG PRO A 311 8.524 -3.073 -1.437 1.00 15.00 C ATOM 495 CD PRO A 311 7.588 -2.985 -0.260 1.00 15.00 C ATOM 0 HA PRO A 311 9.870 -5.102 0.830 1.00 15.00 H new ATOM 0 HB2 PRO A 311 10.379 -4.113 -1.683 1.00 15.00 H new ATOM 0 HB3 PRO A 311 8.994 -5.162 -1.448 1.00 15.00 H new ATOM 0 HG2 PRO A 311 9.084 -2.146 -1.561 1.00 15.00 H new ATOM 0 HG3 PRO A 311 7.973 -3.239 -2.363 1.00 15.00 H new ATOM 0 HD2 PRO A 311 7.317 -1.953 -0.039 1.00 15.00 H new ATOM 0 HD3 PRO A 311 6.660 -3.526 -0.443 1.00 15.00 H new ATOM 503 N ARG A 312 10.557 -2.030 1.073 1.00 15.00 N ATOM 504 CA ARG A 312 11.584 -1.042 1.354 1.00 15.00 C ATOM 505 C ARG A 312 11.993 -1.090 2.826 1.00 15.00 C ATOM 506 O ARG A 312 13.102 -0.695 3.189 1.00 15.00 O ATOM 507 CB ARG A 312 11.046 0.345 0.982 1.00 15.00 C ATOM 508 CG ARG A 312 11.687 1.503 1.728 1.00 15.00 C ATOM 509 CD ARG A 312 10.759 2.706 1.750 1.00 15.00 C ATOM 510 NE ARG A 312 9.432 2.356 2.269 1.00 15.00 N ATOM 511 CZ ARG A 312 8.629 3.205 2.909 1.00 15.00 C ATOM 512 NH1 ARG A 312 9.021 4.452 3.145 1.00 15.00 N1+ ATOM 513 NH2 ARG A 312 7.433 2.800 3.317 1.00 15.00 N ATOM 0 H ARG A 312 9.605 -1.684 1.193 1.00 15.00 H new ATOM 0 HA ARG A 312 12.473 -1.259 0.761 1.00 15.00 H new ATOM 0 HB2 ARG A 312 11.188 0.498 -0.088 1.00 15.00 H new ATOM 0 HB3 ARG A 312 9.972 0.363 1.167 1.00 15.00 H new ATOM 0 HG2 ARG A 312 11.922 1.200 2.748 1.00 15.00 H new ATOM 0 HG3 ARG A 312 12.629 1.773 1.251 1.00 15.00 H new ATOM 0 HD2 ARG A 312 11.196 3.492 2.367 1.00 15.00 H new ATOM 0 HD3 ARG A 312 10.661 3.109 0.742 1.00 15.00 H new ATOM 0 HE ARG A 312 9.103 1.401 2.131 1.00 15.00 H new ATOM 0 HH11 ARG A 312 9.941 4.764 2.836 1.00 15.00 H new ATOM 0 HH12 ARG A 312 8.402 5.097 3.635 1.00 15.00 H new ATOM 0 HH21 ARG A 312 7.131 1.842 3.140 1.00 15.00 H new ATOM 0 HH22 ARG A 312 6.815 3.447 3.807 1.00 15.00 H new ATOM 527 N LEU A 313 11.088 -1.575 3.665 1.00 15.00 N ATOM 528 CA LEU A 313 11.302 -1.588 5.107 1.00 15.00 C ATOM 529 C LEU A 313 12.307 -2.665 5.525 1.00 15.00 C ATOM 530 O LEU A 313 12.777 -2.682 6.664 1.00 15.00 O ATOM 531 CB LEU A 313 9.969 -1.798 5.830 1.00 15.00 C ATOM 532 CG LEU A 313 9.985 -1.512 7.332 1.00 15.00 C ATOM 533 CD1 LEU A 313 10.323 -0.051 7.594 1.00 15.00 C ATOM 534 CD2 LEU A 313 8.646 -1.870 7.955 1.00 15.00 C ATOM 0 H LEU A 313 10.194 -1.967 3.370 1.00 15.00 H new ATOM 0 HA LEU A 313 11.721 -0.623 5.390 1.00 15.00 H new ATOM 0 HB2 LEU A 313 9.218 -1.160 5.364 1.00 15.00 H new ATOM 0 HB3 LEU A 313 9.651 -2.829 5.677 1.00 15.00 H new ATOM 0 HG LEU A 313 10.756 -2.130 7.793 1.00 15.00 H new ATOM 0 HD11 LEU A 313 10.330 0.134 8.668 1.00 15.00 H new ATOM 0 HD12 LEU A 313 11.306 0.175 7.181 1.00 15.00 H new ATOM 0 HD13 LEU A 313 9.576 0.586 7.121 1.00 15.00 H new ATOM 0 HD21 LEU A 313 8.675 -1.660 9.024 1.00 15.00 H new ATOM 0 HD22 LEU A 313 7.858 -1.277 7.490 1.00 15.00 H new ATOM 0 HD23 LEU A 313 8.443 -2.929 7.798 1.00 15.00 H new ATOM 546 N HIS A 314 12.636 -3.568 4.612 1.00 15.00 N ATOM 547 CA HIS A 314 13.611 -4.607 4.910 1.00 15.00 C ATOM 548 C HIS A 314 14.882 -4.390 4.100 1.00 15.00 C ATOM 549 O HIS A 314 14.820 -4.444 2.856 1.00 15.00 O ATOM 550 CB HIS A 314 13.037 -6.020 4.687 1.00 15.00 C ATOM 551 CG HIS A 314 12.638 -6.346 3.275 1.00 15.00 C ATOM 552 ND1 HIS A 314 13.468 -7.002 2.392 1.00 15.00 N ATOM 553 CD2 HIS A 314 11.482 -6.130 2.606 1.00 15.00 C ATOM 554 CE1 HIS A 314 12.844 -7.170 1.246 1.00 15.00 C ATOM 555 NE2 HIS A 314 11.635 -6.654 1.344 1.00 15.00 N ATOM 556 OXT HIS A 314 15.940 -4.159 4.718 1.00 15.00 O ATOM 0 H HIS A 314 12.247 -3.603 3.670 1.00 15.00 H new ATOM 0 HA HIS A 314 13.860 -4.534 5.969 1.00 15.00 H new ATOM 0 HB2 HIS A 314 13.779 -6.749 5.013 1.00 15.00 H new ATOM 0 HB3 HIS A 314 12.165 -6.143 5.329 1.00 15.00 H new ATOM 0 HD1 HIS A 314 14.419 -7.310 2.595 1.00 15.00 H new ATOM 0 HD2 HIS A 314 10.602 -5.637 2.992 1.00 15.00 H new ATOM 0 HE1 HIS A 314 13.254 -7.651 0.370 1.00 15.00 H new TER 565 HIS A 314 ATOM 566 N GLU B 203 1.598 -12.778 4.288 1.00 15.00 N ATOM 567 CA GLU B 203 1.124 -11.565 4.996 1.00 15.00 C ATOM 568 C GLU B 203 0.811 -11.889 6.450 1.00 15.00 C ATOM 569 O GLU B 203 1.363 -11.273 7.358 1.00 15.00 O ATOM 570 CB GLU B 203 -0.123 -10.976 4.317 1.00 15.00 C ATOM 571 CG GLU B 203 0.146 -10.310 2.972 1.00 15.00 C ATOM 572 CD GLU B 203 0.605 -11.284 1.907 1.00 15.00 C ATOM 573 OE1 GLU B 203 1.796 -11.650 1.907 1.00 15.00 O1- ATOM 574 OE2 GLU B 203 -0.227 -11.704 1.081 1.00 15.00 O ATOM 0 HA GLU B 203 1.922 -10.823 4.955 1.00 15.00 H new ATOM 0 HB2 GLU B 203 -0.854 -11.772 4.175 1.00 15.00 H new ATOM 0 HB3 GLU B 203 -0.575 -10.244 4.987 1.00 15.00 H new ATOM 0 HG2 GLU B 203 -0.762 -9.811 2.633 1.00 15.00 H new ATOM 0 HG3 GLU B 203 0.905 -9.538 3.101 1.00 15.00 H new ATOM 583 N LEU B 204 -0.091 -12.856 6.653 1.00 15.00 N ATOM 584 CA LEU B 204 -0.499 -13.305 7.991 1.00 15.00 C ATOM 585 C LEU B 204 -1.273 -12.218 8.741 1.00 15.00 C ATOM 586 O LEU B 204 -1.569 -12.360 9.926 1.00 15.00 O ATOM 587 CB LEU B 204 0.720 -13.754 8.809 1.00 15.00 C ATOM 588 CG LEU B 204 1.531 -14.897 8.192 1.00 15.00 C ATOM 589 CD1 LEU B 204 2.721 -15.240 9.071 1.00 15.00 C ATOM 590 CD2 LEU B 204 0.656 -16.122 7.978 1.00 15.00 C ATOM 0 H LEU B 204 -0.560 -13.350 5.894 1.00 15.00 H new ATOM 0 HA LEU B 204 -1.166 -14.157 7.859 1.00 15.00 H new ATOM 0 HB2 LEU B 204 1.379 -12.897 8.951 1.00 15.00 H new ATOM 0 HB3 LEU B 204 0.381 -14.062 9.798 1.00 15.00 H new ATOM 0 HG LEU B 204 1.902 -14.568 7.221 1.00 15.00 H new ATOM 0 HD11 LEU B 204 3.286 -16.054 8.617 1.00 15.00 H new ATOM 0 HD12 LEU B 204 3.363 -14.365 9.172 1.00 15.00 H new ATOM 0 HD13 LEU B 204 2.369 -15.547 10.056 1.00 15.00 H new ATOM 0 HD21 LEU B 204 1.252 -16.922 7.539 1.00 15.00 H new ATOM 0 HD22 LEU B 204 0.253 -16.453 8.935 1.00 15.00 H new ATOM 0 HD23 LEU B 204 -0.165 -15.870 7.306 1.00 15.00 H new ATOM 602 N GLU B 205 -1.631 -11.160 8.031 1.00 15.00 N ATOM 603 CA GLU B 205 -2.357 -10.042 8.618 1.00 15.00 C ATOM 604 C GLU B 205 -3.819 -10.061 8.195 1.00 15.00 C ATOM 605 O GLU B 205 -4.204 -10.805 7.292 1.00 15.00 O ATOM 606 CB GLU B 205 -1.724 -8.718 8.186 1.00 15.00 C ATOM 607 CG GLU B 205 -0.465 -8.356 8.951 1.00 15.00 C ATOM 608 CD GLU B 205 -0.752 -8.000 10.395 1.00 15.00 C ATOM 609 OE1 GLU B 205 -0.789 -8.909 11.246 1.00 15.00 O ATOM 610 OE2 GLU B 205 -0.951 -6.802 10.687 1.00 15.00 O1- ATOM 0 H GLU B 205 -1.429 -11.051 7.037 1.00 15.00 H new ATOM 0 HA GLU B 205 -2.303 -10.138 9.702 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -1.488 -8.770 7.123 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -2.455 -7.920 8.312 1.00 15.00 H new ATOM 0 HG2 GLU B 205 0.231 -9.194 8.917 1.00 15.00 H new ATOM 0 HG3 GLU B 205 0.025 -7.514 8.462 1.00 15.00 H new ATOM 617 N SER B 206 -4.620 -9.235 8.857 1.00 15.00 N ATOM 618 CA SER B 206 -6.007 -9.012 8.473 1.00 15.00 C ATOM 619 C SER B 206 -6.094 -8.496 7.039 1.00 15.00 C ATOM 620 O SER B 206 -5.130 -7.921 6.533 1.00 15.00 O ATOM 621 CB SER B 206 -6.624 -7.988 9.421 1.00 15.00 C ATOM 622 OG SER B 206 -5.738 -6.903 9.635 1.00 15.00 O ATOM 0 H SER B 206 -4.326 -8.701 9.675 1.00 15.00 H new ATOM 0 HA SER B 206 -6.548 -9.956 8.533 1.00 15.00 H new ATOM 0 HB2 SER B 206 -7.563 -7.621 9.006 1.00 15.00 H new ATOM 0 HB3 SER B 206 -6.861 -8.463 10.373 1.00 15.00 H new ATOM 0 HG SER B 206 -6.092 -6.101 9.198 1.00 15.00 H new ATOM 628 N PRO B 207 -7.252 -8.669 6.376 1.00 15.00 N ATOM 629 CA PRO B 207 -7.459 -8.173 5.013 1.00 15.00 C ATOM 630 C PRO B 207 -7.147 -6.680 4.892 1.00 15.00 C ATOM 631 O PRO B 207 -7.745 -5.848 5.577 1.00 15.00 O ATOM 632 CB PRO B 207 -8.949 -8.437 4.743 1.00 15.00 C ATOM 633 CG PRO B 207 -9.547 -8.746 6.075 1.00 15.00 C ATOM 634 CD PRO B 207 -8.444 -9.356 6.888 1.00 15.00 C ATOM 0 HA PRO B 207 -6.799 -8.665 4.299 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.426 -7.567 4.291 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -9.081 -9.269 4.051 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -9.930 -7.843 6.551 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.386 -9.434 5.976 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -8.584 -9.184 7.955 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -8.383 -10.435 6.744 1.00 15.00 H new ATOM 642 N PRO B 208 -6.177 -6.341 4.033 1.00 15.00 N ATOM 643 CA PRO B 208 -5.780 -4.954 3.765 1.00 15.00 C ATOM 644 C PRO B 208 -6.914 -4.108 3.177 1.00 15.00 C ATOM 645 O PRO B 208 -7.887 -4.636 2.631 1.00 15.00 O ATOM 646 CB PRO B 208 -4.634 -5.100 2.752 1.00 15.00 C ATOM 647 CG PRO B 208 -4.781 -6.466 2.188 1.00 15.00 C ATOM 648 CD PRO B 208 -5.344 -7.297 3.296 1.00 15.00 C ATOM 0 HA PRO B 208 -5.498 -4.435 4.681 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.701 -4.343 1.971 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -3.664 -4.976 3.234 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.444 -6.464 1.323 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.821 -6.858 1.853 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -5.930 -8.134 2.916 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -4.559 -7.717 3.925 1.00 15.00 H new ATOM 656 N PRO B 209 -6.766 -2.776 3.247 1.00 15.00 N ATOM 657 CA PRO B 209 -7.785 -1.818 2.802 1.00 15.00 C ATOM 658 C PRO B 209 -7.952 -1.847 1.281 1.00 15.00 C ATOM 659 O PRO B 209 -6.976 -1.701 0.548 1.00 15.00 O ATOM 660 CB PRO B 209 -7.225 -0.456 3.268 1.00 15.00 C ATOM 661 CG PRO B 209 -6.122 -0.786 4.207 1.00 15.00 C ATOM 662 CD PRO B 209 -5.571 -2.087 3.736 1.00 15.00 C ATOM 0 HA PRO B 209 -8.773 -2.037 3.207 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.861 0.129 2.424 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.995 0.139 3.759 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.356 -0.010 4.200 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.488 -0.863 5.231 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.829 -1.953 2.949 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.085 -2.638 4.541 1.00 15.00 H new ATOM 670 N PRO B 210 -9.192 -2.047 0.792 1.00 15.00 N ATOM 671 CA PRO B 210 -9.489 -2.157 -0.645 1.00 15.00 C ATOM 672 C PRO B 210 -8.867 -1.022 -1.457 1.00 15.00 C ATOM 673 O PRO B 210 -9.006 0.153 -1.103 1.00 15.00 O ATOM 674 CB PRO B 210 -11.025 -2.088 -0.712 1.00 15.00 C ATOM 675 CG PRO B 210 -11.474 -1.694 0.658 1.00 15.00 C ATOM 676 CD PRO B 210 -10.409 -2.174 1.600 1.00 15.00 C ATOM 0 HA PRO B 210 -9.076 -3.072 -1.071 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.352 -1.361 -1.455 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.448 -3.050 -1.001 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.601 -0.614 0.731 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.437 -2.145 0.897 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.362 -1.566 2.503 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.581 -3.203 1.917 1.00 15.00 H new ATOM 684 N TYR B 211 -8.199 -1.380 -2.555 1.00 15.00 N ATOM 685 CA TYR B 211 -7.484 -0.406 -3.370 1.00 15.00 C ATOM 686 C TYR B 211 -8.419 0.664 -3.919 1.00 15.00 C ATOM 687 O TYR B 211 -9.225 0.422 -4.818 1.00 15.00 O ATOM 688 CB TYR B 211 -6.712 -1.088 -4.521 1.00 15.00 C ATOM 689 CG TYR B 211 -6.188 -0.120 -5.579 1.00 15.00 C ATOM 690 CD1 TYR B 211 -5.675 1.127 -5.230 1.00 15.00 C ATOM 691 CD2 TYR B 211 -6.233 -0.442 -6.934 1.00 15.00 C ATOM 692 CE1 TYR B 211 -5.240 2.019 -6.192 1.00 15.00 C ATOM 693 CE2 TYR B 211 -5.784 0.451 -7.893 1.00 15.00 C ATOM 694 CZ TYR B 211 -5.300 1.667 -7.518 1.00 15.00 C ATOM 695 OH TYR B 211 -4.896 2.545 -8.490 1.00 15.00 O ATOM 0 H TYR B 211 -8.140 -2.339 -2.898 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.761 0.081 -2.716 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.872 -1.642 -4.103 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.366 -1.816 -5.002 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -5.616 1.402 -4.187 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.623 -1.401 -7.241 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -4.856 2.986 -5.903 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.818 0.183 -8.939 1.00 15.00 H new ATOM 0 HH TYR B 211 -5.006 2.131 -9.371 1.00 15.00 H new ATOM 705 N SER B 212 -8.318 1.834 -3.321 1.00 15.00 N ATOM 706 CA SER B 212 -8.908 3.035 -3.860 1.00 15.00 C ATOM 707 C SER B 212 -7.788 3.821 -4.521 1.00 15.00 C ATOM 708 O SER B 212 -6.676 3.847 -3.994 1.00 15.00 O ATOM 709 CB SER B 212 -9.553 3.842 -2.733 1.00 15.00 C ATOM 710 OG SER B 212 -10.439 3.030 -1.973 1.00 15.00 O ATOM 0 H SER B 212 -7.820 1.975 -2.442 1.00 15.00 H new ATOM 0 HA SER B 212 -9.687 2.806 -4.587 1.00 15.00 H new ATOM 0 HB2 SER B 212 -8.779 4.250 -2.083 1.00 15.00 H new ATOM 0 HB3 SER B 212 -10.097 4.689 -3.151 1.00 15.00 H new ATOM 0 HG SER B 212 -10.840 3.565 -1.256 1.00 15.00 H new ATOM 716 N ARG B 213 -8.064 4.468 -5.646 1.00 15.00 N ATOM 717 CA ARG B 213 -7.002 5.075 -6.439 1.00 15.00 C ATOM 718 C ARG B 213 -6.246 6.115 -5.628 1.00 15.00 C ATOM 719 O ARG B 213 -5.023 6.067 -5.530 1.00 15.00 O ATOM 720 CB ARG B 213 -7.556 5.745 -7.697 1.00 15.00 C ATOM 721 CG ARG B 213 -8.343 4.832 -8.618 1.00 15.00 C ATOM 722 CD ARG B 213 -8.720 5.564 -9.893 1.00 15.00 C ATOM 723 NE ARG B 213 -9.745 4.862 -10.660 1.00 15.00 N ATOM 724 CZ ARG B 213 -10.663 5.477 -11.404 1.00 15.00 C ATOM 725 NH1 ARG B 213 -10.694 6.804 -11.468 1.00 15.00 N1+ ATOM 726 NH2 ARG B 213 -11.562 4.767 -12.074 1.00 15.00 N ATOM 0 H ARG B 213 -9.003 4.586 -6.027 1.00 15.00 H new ATOM 0 HA ARG B 213 -6.326 4.271 -6.729 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -8.198 6.573 -7.396 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -6.725 6.173 -8.258 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -7.750 3.950 -8.859 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -9.243 4.483 -8.112 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -9.079 6.562 -9.642 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -7.831 5.691 -10.511 1.00 15.00 H new ATOM 0 HE ARG B 213 -9.759 3.843 -10.624 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -10.013 7.356 -10.946 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -11.399 7.271 -12.039 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -11.551 3.749 -12.020 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -12.264 5.240 -12.643 1.00 15.00 H new ATOM 740 N TYR B 214 -6.970 7.054 -5.054 1.00 15.00 N ATOM 741 CA TYR B 214 -6.348 8.101 -4.266 1.00 15.00 C ATOM 742 C TYR B 214 -6.878 8.043 -2.845 1.00 15.00 C ATOM 743 O TYR B 214 -7.985 8.505 -2.561 1.00 15.00 O ATOM 744 CB TYR B 214 -6.583 9.482 -4.902 1.00 15.00 C ATOM 745 CG TYR B 214 -5.823 9.689 -6.201 1.00 15.00 C ATOM 746 CD1 TYR B 214 -5.867 8.738 -7.211 1.00 15.00 C ATOM 747 CD2 TYR B 214 -5.053 10.823 -6.413 1.00 15.00 C ATOM 748 CE1 TYR B 214 -5.173 8.901 -8.387 1.00 15.00 C ATOM 749 CE2 TYR B 214 -4.354 11.001 -7.593 1.00 15.00 C ATOM 750 CZ TYR B 214 -4.416 10.036 -8.579 1.00 15.00 C ATOM 751 OH TYR B 214 -3.716 10.208 -9.754 1.00 15.00 O ATOM 0 H TYR B 214 -7.986 7.115 -5.117 1.00 15.00 H new ATOM 0 HA TYR B 214 -5.270 7.942 -4.242 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -7.649 9.610 -5.090 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.290 10.255 -4.192 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.461 7.847 -7.070 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -4.998 11.579 -5.644 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -5.221 8.144 -9.156 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -3.762 11.892 -7.743 1.00 15.00 H new ATOM 0 HH TYR B 214 -3.236 11.062 -9.727 1.00 15.00 H new ATOM 761 N PRO B 215 -6.112 7.408 -1.949 1.00 15.00 N ATOM 762 CA PRO B 215 -6.513 7.164 -0.576 1.00 15.00 C ATOM 763 C PRO B 215 -6.156 8.330 0.337 1.00 15.00 C ATOM 764 O PRO B 215 -4.985 8.686 0.485 1.00 15.00 O ATOM 765 CB PRO B 215 -5.714 5.899 -0.196 1.00 15.00 C ATOM 766 CG PRO B 215 -4.791 5.624 -1.351 1.00 15.00 C ATOM 767 CD PRO B 215 -4.778 6.865 -2.192 1.00 15.00 C ATOM 0 HA PRO B 215 -7.591 7.044 -0.470 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -5.151 6.056 0.724 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.381 5.055 -0.021 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -3.788 5.385 -0.997 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -5.138 4.768 -1.929 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -3.993 7.557 -1.886 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -4.614 6.642 -3.246 1.00 15.00 H new ATOM 775 N MET B 216 -7.171 8.941 0.923 1.00 15.00 N ATOM 776 CA MET B 216 -6.965 10.048 1.839 1.00 15.00 C ATOM 777 C MET B 216 -7.485 9.678 3.220 1.00 15.00 C ATOM 778 O MET B 216 -8.696 9.582 3.447 1.00 15.00 O ATOM 779 CB MET B 216 -7.626 11.332 1.311 1.00 15.00 C ATOM 780 CG MET B 216 -9.089 11.166 0.924 1.00 15.00 C ATOM 781 SD MET B 216 -9.774 12.632 0.125 1.00 15.00 S ATOM 782 CE MET B 216 -8.722 12.749 -1.321 1.00 15.00 C ATOM 0 H MET B 216 -8.149 8.688 0.780 1.00 15.00 H new ATOM 0 HA MET B 216 -5.896 10.248 1.917 1.00 15.00 H new ATOM 0 HB2 MET B 216 -7.549 12.107 2.074 1.00 15.00 H new ATOM 0 HB3 MET B 216 -7.069 11.683 0.442 1.00 15.00 H new ATOM 0 HG2 MET B 216 -9.188 10.313 0.253 1.00 15.00 H new ATOM 0 HG3 MET B 216 -9.672 10.939 1.816 1.00 15.00 H new ATOM 0 HE1 MET B 216 -9.250 13.281 -2.113 1.00 15.00 H new ATOM 0 HE2 MET B 216 -7.811 13.290 -1.065 1.00 15.00 H new ATOM 0 HE3 MET B 216 -8.465 11.747 -1.666 1.00 15.00 H new ATOM 792 N ASP B 217 -6.556 9.430 4.127 1.00 15.00 N ATOM 793 CA ASP B 217 -6.883 8.969 5.464 1.00 15.00 C ATOM 794 C ASP B 217 -6.016 9.680 6.492 1.00 15.00 C ATOM 795 O ASP B 217 -6.537 10.018 7.576 1.00 15.00 O ATOM 796 CB ASP B 217 -6.708 7.446 5.570 1.00 15.00 C ATOM 797 CG ASP B 217 -5.282 6.991 5.316 1.00 15.00 C ATOM 798 OD1 ASP B 217 -4.932 6.718 4.146 1.00 15.00 O ATOM 799 OD2 ASP B 217 -4.500 6.906 6.282 1.00 15.00 O1- ATOM 800 OXT ASP B 217 -4.828 9.945 6.193 1.00 15.00 O ATOM 0 H ASP B 217 -5.556 9.542 3.958 1.00 15.00 H new ATOM 0 HA ASP B 217 -7.928 9.206 5.667 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -7.016 7.119 6.563 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -7.371 6.959 4.855 1.00 15.00 H new TER 805 ASP B 217