USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 502 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 340 LYS NZ :NH3+ -165:sc= -1.76 (180deg=-2.3) USER MOD Set 1.2: A 347 SER OG : rot 180:sc= 0 USER MOD Single : A 315 TYR OH : rot 180:sc= 0 USER MOD Single : A 321 ASN : amide:sc= -1.93! K(o=-1.9!,f=-1.2) USER MOD Single : A 324 MET CE :methyl -168:sc= 0 (180deg=-0.0598) USER MOD Single : A 329 LYS NZ :NH3+ 155:sc= -0.0238 (180deg=-0.278) USER MOD Single : A 330 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 334 MET CE :methyl 162:sc= -3.2 (180deg=-5.4!) USER MOD Single : A 338 SER OG : rot -151:sc= 0.382 USER MOD Single : A 339 LYS NZ :NH3+ 155:sc= -0.27 (180deg=-0.945) USER MOD Single : A 351 LYS NZ :NH3+ 162:sc= -0.712 (180deg=-1.37!) USER MOD Single : A 354 THR OG1 : rot -37:sc= 0.134! USER MOD Single : A 355 LYS NZ :NH3+ -154:sc= -0.115 (180deg=-0.495) USER MOD Single : A 356 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.28) USER MOD Single : A 358 ASN : amide:sc= -5.77! C(o=-5.8!,f=-4.9!) USER MOD Single : A 361 TYR OH : rot -178:sc= 0.136 USER MOD Single : A 364 TYR OH : rot 180:sc= 0 USER MOD Single : A 365 ASN : amide:sc= -0.0307 X(o=-0.031,f=0) USER MOD Single : A 366 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 310 6.492 12.731 -3.379 1.00 0.00 N ATOM 2 CA PHE A 310 5.437 11.892 -2.820 1.00 0.00 C ATOM 3 C PHE A 310 5.874 11.276 -1.499 1.00 0.00 C ATOM 4 O PHE A 310 5.735 11.892 -0.439 1.00 0.00 O ATOM 5 CB PHE A 310 5.025 10.790 -3.800 1.00 0.00 C ATOM 6 CG PHE A 310 3.874 11.128 -4.637 1.00 0.00 C ATOM 7 CD1 PHE A 310 2.607 10.900 -4.173 1.00 0.00 C ATOM 8 CD2 PHE A 310 4.057 11.639 -5.892 1.00 0.00 C ATOM 9 CE1 PHE A 310 1.526 11.179 -4.949 1.00 0.00 C ATOM 10 CE2 PHE A 310 2.984 11.928 -6.682 1.00 0.00 C ATOM 11 CZ PHE A 310 1.703 11.699 -6.216 1.00 0.00 C ATOM 0 HA PHE A 310 4.574 12.532 -2.639 1.00 0.00 H new ATOM 0 HB2 PHE A 310 5.873 10.558 -4.445 1.00 0.00 H new ATOM 0 HB3 PHE A 310 4.796 9.886 -3.236 1.00 0.00 H new ATOM 0 HD1 PHE A 310 2.465 10.495 -3.182 1.00 0.00 H new ATOM 0 HD2 PHE A 310 5.057 11.815 -6.260 1.00 0.00 H new ATOM 0 HE1 PHE A 310 0.530 10.994 -4.575 1.00 0.00 H new ATOM 0 HE2 PHE A 310 3.135 12.335 -7.671 1.00 0.00 H new ATOM 0 HZ PHE A 310 0.849 11.925 -6.837 1.00 0.00 H new ATOM 21 N ALA A 311 6.401 10.056 -1.562 1.00 0.00 N ATOM 22 CA ALA A 311 6.846 9.373 -0.360 1.00 0.00 C ATOM 23 C ALA A 311 8.172 8.660 -0.562 1.00 0.00 C ATOM 24 O ALA A 311 8.626 8.435 -1.684 1.00 0.00 O ATOM 25 CB ALA A 311 5.796 8.375 0.097 1.00 0.00 C ATOM 0 H ALA A 311 6.528 9.528 -2.425 1.00 0.00 H new ATOM 0 HA ALA A 311 6.991 10.135 0.406 1.00 0.00 H new ATOM 0 HB1 ALA A 311 6.142 7.870 0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 311 4.864 8.899 0.310 1.00 0.00 H new ATOM 0 HB3 ALA A 311 5.627 7.639 -0.689 1.00 0.00 H new ATOM 31 N ARG A 312 8.773 8.288 0.552 1.00 0.00 N ATOM 32 CA ARG A 312 10.031 7.576 0.554 1.00 0.00 C ATOM 33 C ARG A 312 9.988 6.513 1.630 1.00 0.00 C ATOM 34 O ARG A 312 9.116 6.538 2.498 1.00 0.00 O ATOM 35 CB ARG A 312 11.193 8.529 0.813 1.00 0.00 C ATOM 36 CG ARG A 312 12.467 8.142 0.102 1.00 0.00 C ATOM 37 CD ARG A 312 13.677 8.735 0.790 1.00 0.00 C ATOM 38 NE ARG A 312 13.571 8.677 2.246 1.00 0.00 N ATOM 39 CZ ARG A 312 14.290 9.435 3.069 1.00 0.00 C ATOM 40 NH1 ARG A 312 15.163 10.306 2.582 1.00 0.00 N ATOM 41 NH2 ARG A 312 14.136 9.321 4.381 1.00 0.00 N ATOM 0 H ARG A 312 8.399 8.473 1.483 1.00 0.00 H new ATOM 0 HA ARG A 312 10.183 7.115 -0.422 1.00 0.00 H new ATOM 0 HB2 ARG A 312 10.904 9.533 0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 312 11.384 8.571 1.885 1.00 0.00 H new ATOM 0 HG2 ARG A 312 12.556 7.056 0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 312 12.428 8.485 -0.932 1.00 0.00 H new ATOM 0 HD2 ARG A 312 14.572 8.200 0.472 1.00 0.00 H new ATOM 0 HD3 ARG A 312 13.798 9.772 0.478 1.00 0.00 H new ATOM 0 HE ARG A 312 12.908 8.018 2.654 1.00 0.00 H new ATOM 0 HH11 ARG A 312 15.285 10.396 1.573 1.00 0.00 H new ATOM 0 HH12 ARG A 312 15.713 10.886 3.216 1.00 0.00 H new ATOM 0 HH21 ARG A 312 13.466 8.652 4.760 1.00 0.00 H new ATOM 0 HH22 ARG A 312 14.688 9.903 5.012 1.00 0.00 H new ATOM 55 N ALA A 313 10.916 5.582 1.581 1.00 0.00 N ATOM 56 CA ALA A 313 10.936 4.521 2.588 1.00 0.00 C ATOM 57 C ALA A 313 11.964 4.815 3.672 1.00 0.00 C ATOM 58 O ALA A 313 13.113 5.154 3.390 1.00 0.00 O ATOM 59 CB ALA A 313 11.215 3.159 1.962 1.00 0.00 C ATOM 0 H ALA A 313 11.653 5.529 0.878 1.00 0.00 H new ATOM 0 HA ALA A 313 9.945 4.492 3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 313 11.222 2.396 2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 313 10.438 2.927 1.234 1.00 0.00 H new ATOM 0 HB3 ALA A 313 12.184 3.179 1.464 1.00 0.00 H new ATOM 65 N LEU A 314 11.531 4.679 4.921 1.00 0.00 N ATOM 66 CA LEU A 314 12.399 4.914 6.065 1.00 0.00 C ATOM 67 C LEU A 314 13.121 3.624 6.414 1.00 0.00 C ATOM 68 O LEU A 314 14.314 3.620 6.718 1.00 0.00 O ATOM 69 CB LEU A 314 11.589 5.390 7.271 1.00 0.00 C ATOM 70 CG LEU A 314 10.981 6.785 7.142 1.00 0.00 C ATOM 71 CD1 LEU A 314 9.573 6.795 7.710 1.00 0.00 C ATOM 72 CD2 LEU A 314 11.851 7.811 7.852 1.00 0.00 C ATOM 0 H LEU A 314 10.579 4.406 5.165 1.00 0.00 H new ATOM 0 HA LEU A 314 13.121 5.689 5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 314 10.785 4.677 7.452 1.00 0.00 H new ATOM 0 HB3 LEU A 314 12.233 5.373 8.150 1.00 0.00 H new ATOM 0 HG LEU A 314 10.932 7.050 6.086 1.00 0.00 H new ATOM 0 HD11 LEU A 314 9.149 7.794 7.613 1.00 0.00 H new ATOM 0 HD12 LEU A 314 8.955 6.084 7.163 1.00 0.00 H new ATOM 0 HD13 LEU A 314 9.603 6.514 8.763 1.00 0.00 H new ATOM 0 HD21 LEU A 314 11.404 8.800 7.751 1.00 0.00 H new ATOM 0 HD22 LEU A 314 11.928 7.554 8.909 1.00 0.00 H new ATOM 0 HD23 LEU A 314 12.846 7.815 7.406 1.00 0.00 H new ATOM 84 N TYR A 315 12.373 2.527 6.355 1.00 0.00 N ATOM 85 CA TYR A 315 12.909 1.209 6.652 1.00 0.00 C ATOM 86 C TYR A 315 12.443 0.196 5.607 1.00 0.00 C ATOM 87 O TYR A 315 11.544 0.476 4.816 1.00 0.00 O ATOM 88 CB TYR A 315 12.477 0.759 8.047 1.00 0.00 C ATOM 89 CG TYR A 315 12.979 1.656 9.156 1.00 0.00 C ATOM 90 CD1 TYR A 315 14.206 1.419 9.764 1.00 0.00 C ATOM 91 CD2 TYR A 315 12.228 2.740 9.595 1.00 0.00 C ATOM 92 CE1 TYR A 315 14.669 2.235 10.778 1.00 0.00 C ATOM 93 CE2 TYR A 315 12.685 3.561 10.608 1.00 0.00 C ATOM 94 CZ TYR A 315 13.906 3.304 11.196 1.00 0.00 C ATOM 95 OH TYR A 315 14.365 4.121 12.205 1.00 0.00 O ATOM 0 H TYR A 315 11.385 2.529 6.101 1.00 0.00 H new ATOM 0 HA TYR A 315 13.997 1.267 6.624 1.00 0.00 H new ATOM 0 HB2 TYR A 315 11.388 0.721 8.086 1.00 0.00 H new ATOM 0 HB3 TYR A 315 12.837 -0.255 8.220 1.00 0.00 H new ATOM 0 HD1 TYR A 315 14.807 0.583 9.438 1.00 0.00 H new ATOM 0 HD2 TYR A 315 11.272 2.944 9.137 1.00 0.00 H new ATOM 0 HE1 TYR A 315 15.624 2.036 11.241 1.00 0.00 H new ATOM 0 HE2 TYR A 315 12.089 4.399 10.938 1.00 0.00 H new ATOM 0 HH TYR A 315 13.708 4.827 12.378 1.00 0.00 H new ATOM 105 N ASP A 316 13.064 -0.978 5.612 1.00 0.00 N ATOM 106 CA ASP A 316 12.719 -2.038 4.667 1.00 0.00 C ATOM 107 C ASP A 316 11.374 -2.668 5.020 1.00 0.00 C ATOM 108 O ASP A 316 11.250 -3.337 6.046 1.00 0.00 O ATOM 109 CB ASP A 316 13.820 -3.104 4.672 1.00 0.00 C ATOM 110 CG ASP A 316 13.385 -4.413 4.042 1.00 0.00 C ATOM 111 OD1 ASP A 316 12.663 -5.184 4.709 1.00 0.00 O ATOM 112 OD2 ASP A 316 13.774 -4.671 2.884 1.00 0.00 O ATOM 0 H ASP A 316 13.812 -1.222 6.262 1.00 0.00 H new ATOM 0 HA ASP A 316 12.636 -1.605 3.670 1.00 0.00 H new ATOM 0 HB2 ASP A 316 14.690 -2.722 4.137 1.00 0.00 H new ATOM 0 HB3 ASP A 316 14.133 -3.289 5.699 1.00 0.00 H new ATOM 117 N PHE A 317 10.361 -2.457 4.171 1.00 0.00 N ATOM 118 CA PHE A 317 9.050 -3.020 4.431 1.00 0.00 C ATOM 119 C PHE A 317 8.869 -4.370 3.722 1.00 0.00 C ATOM 120 O PHE A 317 9.723 -4.783 2.937 1.00 0.00 O ATOM 121 CB PHE A 317 7.939 -2.037 4.047 1.00 0.00 C ATOM 122 CG PHE A 317 6.589 -2.444 4.557 1.00 0.00 C ATOM 123 CD1 PHE A 317 6.280 -2.360 5.908 1.00 0.00 C ATOM 124 CD2 PHE A 317 5.638 -2.939 3.685 1.00 0.00 C ATOM 125 CE1 PHE A 317 5.046 -2.764 6.373 1.00 0.00 C ATOM 126 CE2 PHE A 317 4.402 -3.338 4.146 1.00 0.00 C ATOM 127 CZ PHE A 317 4.105 -3.253 5.492 1.00 0.00 C ATOM 0 H PHE A 317 10.431 -1.908 3.314 1.00 0.00 H new ATOM 0 HA PHE A 317 8.977 -3.201 5.503 1.00 0.00 H new ATOM 0 HB2 PHE A 317 8.185 -1.050 4.437 1.00 0.00 H new ATOM 0 HB3 PHE A 317 7.899 -1.950 2.961 1.00 0.00 H new ATOM 0 HD1 PHE A 317 7.013 -1.975 6.601 1.00 0.00 H new ATOM 0 HD2 PHE A 317 5.866 -3.014 2.632 1.00 0.00 H new ATOM 0 HE1 PHE A 317 4.817 -2.697 7.426 1.00 0.00 H new ATOM 0 HE2 PHE A 317 3.665 -3.718 3.454 1.00 0.00 H new ATOM 0 HZ PHE A 317 3.138 -3.569 5.854 1.00 0.00 H new ATOM 137 N VAL A 318 7.758 -5.060 4.016 1.00 0.00 N ATOM 138 CA VAL A 318 7.466 -6.365 3.431 1.00 0.00 C ATOM 139 C VAL A 318 5.957 -6.584 3.393 1.00 0.00 C ATOM 140 O VAL A 318 5.255 -6.184 4.322 1.00 0.00 O ATOM 141 CB VAL A 318 8.101 -7.519 4.247 1.00 0.00 C ATOM 142 CG1 VAL A 318 8.405 -8.711 3.353 1.00 0.00 C ATOM 143 CG2 VAL A 318 9.358 -7.061 4.968 1.00 0.00 C ATOM 0 H VAL A 318 7.043 -4.727 4.663 1.00 0.00 H new ATOM 0 HA VAL A 318 7.888 -6.371 2.426 1.00 0.00 H new ATOM 0 HB VAL A 318 7.375 -7.827 5.000 1.00 0.00 H new ATOM 0 HG11 VAL A 318 8.850 -9.508 3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 318 7.482 -9.070 2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 318 9.102 -8.411 2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 318 9.779 -7.894 5.531 1.00 0.00 H new ATOM 0 HG22 VAL A 318 10.088 -6.710 4.239 1.00 0.00 H new ATOM 0 HG23 VAL A 318 9.110 -6.249 5.652 1.00 0.00 H new ATOM 153 N PRO A 319 5.430 -7.222 2.329 1.00 0.00 N ATOM 154 CA PRO A 319 3.998 -7.485 2.197 1.00 0.00 C ATOM 155 C PRO A 319 3.343 -7.871 3.517 1.00 0.00 C ATOM 156 O PRO A 319 3.492 -9.000 3.986 1.00 0.00 O ATOM 157 CB PRO A 319 3.963 -8.655 1.223 1.00 0.00 C ATOM 158 CG PRO A 319 5.136 -8.430 0.332 1.00 0.00 C ATOM 159 CD PRO A 319 6.185 -7.738 1.168 1.00 0.00 C ATOM 0 HA PRO A 319 3.447 -6.605 1.865 1.00 0.00 H new ATOM 0 HB2 PRO A 319 4.038 -9.609 1.745 1.00 0.00 H new ATOM 0 HB3 PRO A 319 3.032 -8.673 0.657 1.00 0.00 H new ATOM 0 HG2 PRO A 319 5.513 -9.375 -0.059 1.00 0.00 H new ATOM 0 HG3 PRO A 319 4.859 -7.818 -0.527 1.00 0.00 H new ATOM 0 HD2 PRO A 319 6.970 -8.429 1.477 1.00 0.00 H new ATOM 0 HD3 PRO A 319 6.669 -6.932 0.616 1.00 0.00 H new ATOM 167 N GLU A 320 2.614 -6.925 4.113 1.00 0.00 N ATOM 168 CA GLU A 320 1.933 -7.173 5.378 1.00 0.00 C ATOM 169 C GLU A 320 1.120 -8.457 5.289 1.00 0.00 C ATOM 170 O GLU A 320 1.021 -9.213 6.257 1.00 0.00 O ATOM 171 CB GLU A 320 1.035 -5.988 5.752 1.00 0.00 C ATOM 172 CG GLU A 320 -0.364 -6.056 5.158 1.00 0.00 C ATOM 173 CD GLU A 320 -1.390 -6.598 6.135 1.00 0.00 C ATOM 174 OE1 GLU A 320 -0.988 -7.276 7.103 1.00 0.00 O ATOM 175 OE2 GLU A 320 -2.595 -6.344 5.930 1.00 0.00 O ATOM 0 H GLU A 320 2.483 -5.985 3.739 1.00 0.00 H new ATOM 0 HA GLU A 320 2.682 -7.287 6.161 1.00 0.00 H new ATOM 0 HB2 GLU A 320 0.955 -5.935 6.838 1.00 0.00 H new ATOM 0 HB3 GLU A 320 1.513 -5.066 5.423 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -0.666 -5.059 4.836 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -0.346 -6.687 4.269 1.00 0.00 H new ATOM 182 N ASN A 321 0.556 -8.705 4.111 1.00 0.00 N ATOM 183 CA ASN A 321 -0.228 -9.905 3.879 1.00 0.00 C ATOM 184 C ASN A 321 0.102 -10.472 2.506 1.00 0.00 C ATOM 185 O ASN A 321 0.361 -9.718 1.567 1.00 0.00 O ATOM 186 CB ASN A 321 -1.724 -9.597 3.978 1.00 0.00 C ATOM 187 CG ASN A 321 -2.456 -10.563 4.889 1.00 0.00 C ATOM 188 OD1 ASN A 321 -2.416 -10.432 6.113 1.00 0.00 O ATOM 189 ND2 ASN A 321 -3.131 -11.543 4.296 1.00 0.00 N ATOM 0 H ASN A 321 0.630 -8.087 3.303 1.00 0.00 H new ATOM 0 HA ASN A 321 0.020 -10.643 4.642 1.00 0.00 H new ATOM 0 HB2 ASN A 321 -1.859 -8.581 4.348 1.00 0.00 H new ATOM 0 HB3 ASN A 321 -2.166 -9.635 2.983 1.00 0.00 H new ATOM 0 HD21 ASN A 321 -3.642 -12.223 4.859 1.00 0.00 H new ATOM 0 HD22 ASN A 321 -3.138 -11.615 3.279 1.00 0.00 H new ATOM 196 N PRO A 322 0.103 -11.807 2.362 1.00 0.00 N ATOM 197 CA PRO A 322 0.403 -12.452 1.085 1.00 0.00 C ATOM 198 C PRO A 322 -0.765 -12.335 0.115 1.00 0.00 C ATOM 199 O PRO A 322 -1.070 -13.269 -0.627 1.00 0.00 O ATOM 200 CB PRO A 322 0.640 -13.910 1.477 1.00 0.00 C ATOM 201 CG PRO A 322 -0.188 -14.109 2.700 1.00 0.00 C ATOM 202 CD PRO A 322 -0.189 -12.789 3.425 1.00 0.00 C ATOM 0 HA PRO A 322 1.252 -11.999 0.573 1.00 0.00 H new ATOM 0 HB2 PRO A 322 0.339 -14.589 0.679 1.00 0.00 H new ATOM 0 HB3 PRO A 322 1.694 -14.101 1.677 1.00 0.00 H new ATOM 0 HG2 PRO A 322 -1.202 -14.411 2.439 1.00 0.00 H new ATOM 0 HG3 PRO A 322 0.227 -14.898 3.327 1.00 0.00 H new ATOM 0 HD2 PRO A 322 -1.151 -12.593 3.898 1.00 0.00 H new ATOM 0 HD3 PRO A 322 0.565 -12.764 4.212 1.00 0.00 H new ATOM 210 N GLU A 323 -1.414 -11.177 0.134 1.00 0.00 N ATOM 211 CA GLU A 323 -2.552 -10.921 -0.732 1.00 0.00 C ATOM 212 C GLU A 323 -2.348 -9.637 -1.526 1.00 0.00 C ATOM 213 O GLU A 323 -2.614 -9.601 -2.728 1.00 0.00 O ATOM 214 CB GLU A 323 -3.839 -10.831 0.095 1.00 0.00 C ATOM 215 CG GLU A 323 -5.004 -10.196 -0.649 1.00 0.00 C ATOM 216 CD GLU A 323 -5.485 -11.039 -1.815 1.00 0.00 C ATOM 217 OE1 GLU A 323 -5.624 -12.268 -1.642 1.00 0.00 O ATOM 218 OE2 GLU A 323 -5.722 -10.470 -2.900 1.00 0.00 O ATOM 0 H GLU A 323 -1.168 -10.398 0.744 1.00 0.00 H new ATOM 0 HA GLU A 323 -2.640 -11.750 -1.434 1.00 0.00 H new ATOM 0 HB2 GLU A 323 -4.126 -11.833 0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 323 -3.640 -10.255 0.998 1.00 0.00 H new ATOM 0 HG2 GLU A 323 -5.830 -10.038 0.045 1.00 0.00 H new ATOM 0 HG3 GLU A 323 -4.704 -9.214 -1.015 1.00 0.00 H new ATOM 225 N MET A 324 -1.884 -8.579 -0.858 1.00 0.00 N ATOM 226 CA MET A 324 -1.669 -7.311 -1.546 1.00 0.00 C ATOM 227 C MET A 324 -0.817 -6.330 -0.743 1.00 0.00 C ATOM 228 O MET A 324 -1.322 -5.634 0.138 1.00 0.00 O ATOM 229 CB MET A 324 -3.020 -6.664 -1.817 1.00 0.00 C ATOM 230 CG MET A 324 -2.933 -5.380 -2.625 1.00 0.00 C ATOM 231 SD MET A 324 -4.365 -5.131 -3.692 1.00 0.00 S ATOM 232 CE MET A 324 -4.023 -6.301 -5.004 1.00 0.00 C ATOM 0 H MET A 324 -1.655 -8.575 0.136 1.00 0.00 H new ATOM 0 HA MET A 324 -1.132 -7.534 -2.468 1.00 0.00 H new ATOM 0 HB2 MET A 324 -3.653 -7.375 -2.348 1.00 0.00 H new ATOM 0 HB3 MET A 324 -3.508 -6.452 -0.866 1.00 0.00 H new ATOM 0 HG2 MET A 324 -2.840 -4.533 -1.945 1.00 0.00 H new ATOM 0 HG3 MET A 324 -2.030 -5.400 -3.235 1.00 0.00 H new ATOM 0 HE1 MET A 324 -4.698 -6.118 -5.840 1.00 0.00 H new ATOM 0 HE2 MET A 324 -2.992 -6.183 -5.337 1.00 0.00 H new ATOM 0 HE3 MET A 324 -4.171 -7.316 -4.634 1.00 0.00 H new ATOM 242 N GLU A 325 0.458 -6.233 -1.099 1.00 0.00 N ATOM 243 CA GLU A 325 1.363 -5.284 -0.461 1.00 0.00 C ATOM 244 C GLU A 325 2.684 -5.213 -1.207 1.00 0.00 C ATOM 245 O GLU A 325 2.987 -6.067 -2.040 1.00 0.00 O ATOM 246 CB GLU A 325 1.571 -5.598 1.016 1.00 0.00 C ATOM 247 CG GLU A 325 2.121 -4.438 1.814 1.00 0.00 C ATOM 248 CD GLU A 325 1.143 -3.961 2.867 1.00 0.00 C ATOM 249 OE1 GLU A 325 -0.045 -4.336 2.784 1.00 0.00 O ATOM 250 OE2 GLU A 325 1.562 -3.215 3.773 1.00 0.00 O ATOM 0 H GLU A 325 0.890 -6.801 -1.828 1.00 0.00 H new ATOM 0 HA GLU A 325 0.895 -4.301 -0.510 1.00 0.00 H new ATOM 0 HB2 GLU A 325 0.620 -5.907 1.450 1.00 0.00 H new ATOM 0 HB3 GLU A 325 2.252 -6.444 1.106 1.00 0.00 H new ATOM 0 HG2 GLU A 325 3.053 -4.737 2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 325 2.359 -3.615 1.140 1.00 0.00 H new ATOM 257 N VAL A 326 3.468 -4.190 -0.906 1.00 0.00 N ATOM 258 CA VAL A 326 4.757 -4.005 -1.552 1.00 0.00 C ATOM 259 C VAL A 326 5.898 -4.259 -0.569 1.00 0.00 C ATOM 260 O VAL A 326 5.743 -4.076 0.638 1.00 0.00 O ATOM 261 CB VAL A 326 4.884 -2.582 -2.154 1.00 0.00 C ATOM 262 CG1 VAL A 326 4.063 -1.578 -1.362 1.00 0.00 C ATOM 263 CG2 VAL A 326 6.336 -2.139 -2.227 1.00 0.00 C ATOM 0 H VAL A 326 3.234 -3.475 -0.218 1.00 0.00 H new ATOM 0 HA VAL A 326 4.824 -4.729 -2.364 1.00 0.00 H new ATOM 0 HB VAL A 326 4.491 -2.622 -3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 326 4.171 -0.589 -1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 326 3.013 -1.872 -1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 326 4.415 -1.553 -0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 326 6.390 -1.137 -2.654 1.00 0.00 H new ATOM 0 HG22 VAL A 326 6.764 -2.130 -1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 326 6.897 -2.831 -2.855 1.00 0.00 H new ATOM 273 N ALA A 327 7.046 -4.665 -1.101 1.00 0.00 N ATOM 274 CA ALA A 327 8.217 -4.924 -0.281 1.00 0.00 C ATOM 275 C ALA A 327 9.178 -3.754 -0.397 1.00 0.00 C ATOM 276 O ALA A 327 9.656 -3.433 -1.486 1.00 0.00 O ATOM 277 CB ALA A 327 8.891 -6.220 -0.704 1.00 0.00 C ATOM 0 H ALA A 327 7.187 -4.821 -2.099 1.00 0.00 H new ATOM 0 HA ALA A 327 7.911 -5.033 0.760 1.00 0.00 H new ATOM 0 HB1 ALA A 327 9.766 -6.396 -0.078 1.00 0.00 H new ATOM 0 HB2 ALA A 327 8.191 -7.048 -0.591 1.00 0.00 H new ATOM 0 HB3 ALA A 327 9.200 -6.146 -1.747 1.00 0.00 H new ATOM 283 N LEU A 328 9.422 -3.090 0.724 1.00 0.00 N ATOM 284 CA LEU A 328 10.283 -1.920 0.743 1.00 0.00 C ATOM 285 C LEU A 328 11.649 -2.218 1.326 1.00 0.00 C ATOM 286 O LEU A 328 11.820 -3.173 2.076 1.00 0.00 O ATOM 287 CB LEU A 328 9.629 -0.823 1.563 1.00 0.00 C ATOM 288 CG LEU A 328 8.390 -0.189 0.929 1.00 0.00 C ATOM 289 CD1 LEU A 328 7.931 1.014 1.735 1.00 0.00 C ATOM 290 CD2 LEU A 328 8.654 0.202 -0.517 1.00 0.00 C ATOM 0 H LEU A 328 9.034 -3.344 1.633 1.00 0.00 H new ATOM 0 HA LEU A 328 10.421 -1.603 -0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 328 9.351 -1.233 2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 328 10.365 -0.040 1.746 1.00 0.00 H new ATOM 0 HG LEU A 328 7.592 -0.932 0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 328 7.049 1.450 1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 328 7.686 0.700 2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 328 8.729 1.756 1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 328 7.756 0.650 -0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 328 9.472 0.921 -0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 328 8.923 -0.685 -1.090 1.00 0.00 H new ATOM 302 N LYS A 329 12.610 -1.362 0.992 1.00 0.00 N ATOM 303 CA LYS A 329 13.971 -1.497 1.490 1.00 0.00 C ATOM 304 C LYS A 329 14.606 -0.126 1.707 1.00 0.00 C ATOM 305 O LYS A 329 15.035 0.527 0.757 1.00 0.00 O ATOM 306 CB LYS A 329 14.817 -2.320 0.521 1.00 0.00 C ATOM 307 CG LYS A 329 16.159 -2.742 1.098 1.00 0.00 C ATOM 308 CD LYS A 329 17.313 -2.028 0.415 1.00 0.00 C ATOM 309 CE LYS A 329 18.404 -3.003 0.001 1.00 0.00 C ATOM 310 NZ LYS A 329 17.925 -3.965 -1.030 1.00 0.00 N ATOM 0 H LYS A 329 12.468 -0.563 0.374 1.00 0.00 H new ATOM 0 HA LYS A 329 13.931 -2.016 2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 329 14.259 -3.210 0.229 1.00 0.00 H new ATOM 0 HB3 LYS A 329 14.986 -1.739 -0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 329 16.179 -2.528 2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 329 16.281 -3.819 0.987 1.00 0.00 H new ATOM 0 HD2 LYS A 329 16.945 -1.497 -0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 329 17.729 -1.279 1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 329 19.258 -2.449 -0.388 1.00 0.00 H new ATOM 0 HE3 LYS A 329 18.752 -3.552 0.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 329 18.734 -4.312 -1.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 329 17.454 -4.767 -0.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 329 17.252 -3.488 -1.663 1.00 0.00 H new ATOM 324 N LYS A 330 14.670 0.277 2.974 1.00 0.00 N ATOM 325 CA LYS A 330 15.254 1.554 3.386 1.00 0.00 C ATOM 326 C LYS A 330 15.152 2.647 2.324 1.00 0.00 C ATOM 327 O LYS A 330 14.137 3.327 2.223 1.00 0.00 O ATOM 328 CB LYS A 330 16.708 1.350 3.788 1.00 0.00 C ATOM 329 CG LYS A 330 16.935 1.505 5.268 1.00 0.00 C ATOM 330 CD LYS A 330 18.313 2.072 5.571 1.00 0.00 C ATOM 331 CE LYS A 330 18.561 2.168 7.067 1.00 0.00 C ATOM 332 NZ LYS A 330 18.054 3.448 7.633 1.00 0.00 N ATOM 0 H LYS A 330 14.315 -0.278 3.752 1.00 0.00 H new ATOM 0 HA LYS A 330 14.669 1.902 4.238 1.00 0.00 H new ATOM 0 HB2 LYS A 330 17.029 0.355 3.479 1.00 0.00 H new ATOM 0 HB3 LYS A 330 17.331 2.067 3.253 1.00 0.00 H new ATOM 0 HG2 LYS A 330 16.172 2.161 5.686 1.00 0.00 H new ATOM 0 HG3 LYS A 330 16.825 0.537 5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 330 19.075 1.440 5.115 1.00 0.00 H new ATOM 0 HD3 LYS A 330 18.407 3.061 5.122 1.00 0.00 H new ATOM 0 HE2 LYS A 330 18.076 1.331 7.570 1.00 0.00 H new ATOM 0 HE3 LYS A 330 19.630 2.082 7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 330 18.242 3.474 8.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 330 18.535 4.246 7.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 330 17.030 3.519 7.468 1.00 0.00 H new ATOM 346 N GLY A 331 16.222 2.832 1.554 1.00 0.00 N ATOM 347 CA GLY A 331 16.243 3.870 0.534 1.00 0.00 C ATOM 348 C GLY A 331 15.196 3.700 -0.553 1.00 0.00 C ATOM 349 O GLY A 331 15.269 4.364 -1.586 1.00 0.00 O ATOM 0 H GLY A 331 17.078 2.280 1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 331 16.097 4.838 1.014 1.00 0.00 H new ATOM 0 HA3 GLY A 331 17.230 3.889 0.072 1.00 0.00 H new ATOM 353 N ASP A 332 14.220 2.826 -0.335 1.00 0.00 N ATOM 354 CA ASP A 332 13.184 2.604 -1.302 1.00 0.00 C ATOM 355 C ASP A 332 12.264 3.817 -1.386 1.00 0.00 C ATOM 356 O ASP A 332 11.732 4.255 -0.383 1.00 0.00 O ATOM 357 CB ASP A 332 12.394 1.359 -0.918 1.00 0.00 C ATOM 358 CG ASP A 332 11.608 0.781 -2.079 1.00 0.00 C ATOM 359 OD1 ASP A 332 11.195 1.560 -2.964 1.00 0.00 O ATOM 360 OD2 ASP A 332 11.404 -0.451 -2.103 1.00 0.00 O ATOM 0 H ASP A 332 14.136 2.263 0.512 1.00 0.00 H new ATOM 0 HA ASP A 332 13.634 2.454 -2.283 1.00 0.00 H new ATOM 0 HB2 ASP A 332 13.080 0.602 -0.537 1.00 0.00 H new ATOM 0 HB3 ASP A 332 11.708 1.605 -0.107 1.00 0.00 H new ATOM 365 N LEU A 333 12.068 4.368 -2.572 1.00 0.00 N ATOM 366 CA LEU A 333 11.193 5.530 -2.704 1.00 0.00 C ATOM 367 C LEU A 333 9.858 5.106 -3.328 1.00 0.00 C ATOM 368 O LEU A 333 9.837 4.256 -4.218 1.00 0.00 O ATOM 369 CB LEU A 333 11.852 6.601 -3.573 1.00 0.00 C ATOM 370 CG LEU A 333 13.129 7.198 -2.993 1.00 0.00 C ATOM 371 CD1 LEU A 333 14.355 6.538 -3.604 1.00 0.00 C ATOM 372 CD2 LEU A 333 13.163 8.703 -3.219 1.00 0.00 C ATOM 0 H LEU A 333 12.490 4.042 -3.441 1.00 0.00 H new ATOM 0 HA LEU A 333 11.014 5.946 -1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 333 12.080 6.169 -4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 333 11.135 7.405 -3.740 1.00 0.00 H new ATOM 0 HG LEU A 333 13.140 7.010 -1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 333 15.256 6.978 -3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 333 14.337 5.469 -3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 333 14.352 6.693 -4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 333 14.081 9.113 -2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 333 13.128 8.911 -4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 333 12.304 9.164 -2.732 1.00 0.00 H new ATOM 384 N MET A 334 8.743 5.670 -2.851 1.00 0.00 N ATOM 385 CA MET A 334 7.426 5.294 -3.375 1.00 0.00 C ATOM 386 C MET A 334 6.440 6.464 -3.370 1.00 0.00 C ATOM 387 O MET A 334 6.657 7.481 -2.714 1.00 0.00 O ATOM 388 CB MET A 334 6.838 4.143 -2.546 1.00 0.00 C ATOM 389 CG MET A 334 7.757 2.943 -2.397 1.00 0.00 C ATOM 390 SD MET A 334 9.097 3.214 -1.218 1.00 0.00 S ATOM 391 CE MET A 334 8.260 4.130 0.073 1.00 0.00 C ATOM 0 H MET A 334 8.725 6.377 -2.116 1.00 0.00 H new ATOM 0 HA MET A 334 7.574 4.982 -4.409 1.00 0.00 H new ATOM 0 HB2 MET A 334 6.586 4.518 -1.554 1.00 0.00 H new ATOM 0 HB3 MET A 334 5.907 3.817 -3.009 1.00 0.00 H new ATOM 0 HG2 MET A 334 7.170 2.082 -2.078 1.00 0.00 H new ATOM 0 HG3 MET A 334 8.182 2.696 -3.370 1.00 0.00 H new ATOM 0 HE1 MET A 334 8.851 4.091 0.988 1.00 0.00 H new ATOM 0 HE2 MET A 334 8.139 5.168 -0.237 1.00 0.00 H new ATOM 0 HE3 MET A 334 7.280 3.689 0.255 1.00 0.00 H new ATOM 401 N ALA A 335 5.336 6.293 -4.093 1.00 0.00 N ATOM 402 CA ALA A 335 4.289 7.308 -4.161 1.00 0.00 C ATOM 403 C ALA A 335 3.094 6.873 -3.319 1.00 0.00 C ATOM 404 O ALA A 335 2.875 5.680 -3.133 1.00 0.00 O ATOM 405 CB ALA A 335 3.867 7.544 -5.604 1.00 0.00 C ATOM 0 H ALA A 335 5.143 5.456 -4.643 1.00 0.00 H new ATOM 0 HA ALA A 335 4.679 8.245 -3.764 1.00 0.00 H new ATOM 0 HB1 ALA A 335 3.086 8.304 -5.635 1.00 0.00 H new ATOM 0 HB2 ALA A 335 4.726 7.883 -6.183 1.00 0.00 H new ATOM 0 HB3 ALA A 335 3.487 6.615 -6.028 1.00 0.00 H new ATOM 411 N ILE A 336 2.328 7.835 -2.806 1.00 0.00 N ATOM 412 CA ILE A 336 1.170 7.519 -1.971 1.00 0.00 C ATOM 413 C ILE A 336 -0.137 7.674 -2.740 1.00 0.00 C ATOM 414 O ILE A 336 -0.296 8.600 -3.536 1.00 0.00 O ATOM 415 CB ILE A 336 1.110 8.421 -0.724 1.00 0.00 C ATOM 416 CG1 ILE A 336 2.507 8.632 -0.147 1.00 0.00 C ATOM 417 CG2 ILE A 336 0.185 7.820 0.323 1.00 0.00 C ATOM 418 CD1 ILE A 336 2.786 10.065 0.251 1.00 0.00 C ATOM 0 H ILE A 336 2.486 8.832 -2.952 1.00 0.00 H new ATOM 0 HA ILE A 336 1.290 6.480 -1.665 1.00 0.00 H new ATOM 0 HB ILE A 336 0.711 9.391 -1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 336 2.632 7.990 0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 336 3.247 8.317 -0.883 1.00 0.00 H new ATOM 0 HG21 ILE A 336 0.154 8.470 1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 336 -0.818 7.721 -0.091 1.00 0.00 H new ATOM 0 HG23 ILE A 336 0.555 6.837 0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 336 3.796 10.141 0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 336 2.694 10.710 -0.623 1.00 0.00 H new ATOM 0 HD13 ILE A 336 2.069 10.378 1.010 1.00 0.00 H new ATOM 430 N LEU A 337 -1.069 6.754 -2.499 1.00 0.00 N ATOM 431 CA LEU A 337 -2.359 6.781 -3.172 1.00 0.00 C ATOM 432 C LEU A 337 -3.519 6.703 -2.176 1.00 0.00 C ATOM 433 O LEU A 337 -4.518 7.407 -2.323 1.00 0.00 O ATOM 434 CB LEU A 337 -2.451 5.621 -4.166 1.00 0.00 C ATOM 435 CG LEU A 337 -1.641 5.793 -5.458 1.00 0.00 C ATOM 436 CD1 LEU A 337 -1.888 7.163 -6.076 1.00 0.00 C ATOM 437 CD2 LEU A 337 -0.157 5.586 -5.192 1.00 0.00 C ATOM 0 H LEU A 337 -0.952 5.982 -1.842 1.00 0.00 H new ATOM 0 HA LEU A 337 -2.438 7.729 -3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 337 -2.118 4.711 -3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 337 -3.498 5.474 -4.431 1.00 0.00 H new ATOM 0 HG LEU A 337 -1.973 5.036 -6.168 1.00 0.00 H new ATOM 0 HD11 LEU A 337 -1.303 7.261 -6.990 1.00 0.00 H new ATOM 0 HD12 LEU A 337 -2.947 7.271 -6.310 1.00 0.00 H new ATOM 0 HD13 LEU A 337 -1.591 7.939 -5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 337 0.400 5.712 -6.120 1.00 0.00 H new ATOM 0 HD22 LEU A 337 0.187 6.317 -4.460 1.00 0.00 H new ATOM 0 HD23 LEU A 337 0.006 4.580 -4.805 1.00 0.00 H new ATOM 449 N SER A 338 -3.389 5.836 -1.171 1.00 0.00 N ATOM 450 CA SER A 338 -4.440 5.664 -0.167 1.00 0.00 C ATOM 451 C SER A 338 -4.104 6.390 1.135 1.00 0.00 C ATOM 452 O SER A 338 -2.970 6.824 1.343 1.00 0.00 O ATOM 453 CB SER A 338 -4.664 4.178 0.115 1.00 0.00 C ATOM 454 OG SER A 338 -5.980 3.785 -0.232 1.00 0.00 O ATOM 0 H SER A 338 -2.570 5.244 -1.031 1.00 0.00 H new ATOM 0 HA SER A 338 -5.353 6.101 -0.571 1.00 0.00 H new ATOM 0 HB2 SER A 338 -3.944 3.585 -0.449 1.00 0.00 H new ATOM 0 HB3 SER A 338 -4.487 3.975 1.171 1.00 0.00 H new ATOM 0 HG SER A 338 -6.256 3.032 0.332 1.00 0.00 H new ATOM 460 N LYS A 339 -5.105 6.512 2.009 1.00 0.00 N ATOM 461 CA LYS A 339 -4.943 7.176 3.298 1.00 0.00 C ATOM 462 C LYS A 339 -5.491 6.255 4.374 1.00 0.00 C ATOM 463 O LYS A 339 -5.016 5.129 4.504 1.00 0.00 O ATOM 464 CB LYS A 339 -5.705 8.490 3.267 1.00 0.00 C ATOM 465 CG LYS A 339 -4.829 9.698 2.972 1.00 0.00 C ATOM 466 CD LYS A 339 -4.201 9.616 1.588 1.00 0.00 C ATOM 467 CE LYS A 339 -4.971 10.454 0.580 1.00 0.00 C ATOM 468 NZ LYS A 339 -5.017 11.889 0.974 1.00 0.00 N ATOM 0 H LYS A 339 -6.045 6.154 1.842 1.00 0.00 H new ATOM 0 HA LYS A 339 -3.895 7.388 3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 339 -6.489 8.428 2.512 1.00 0.00 H new ATOM 0 HB3 LYS A 339 -6.199 8.636 4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 339 -5.426 10.607 3.047 1.00 0.00 H new ATOM 0 HG3 LYS A 339 -4.043 9.770 3.724 1.00 0.00 H new ATOM 0 HD2 LYS A 339 -3.167 9.959 1.635 1.00 0.00 H new ATOM 0 HD3 LYS A 339 -4.178 8.577 1.258 1.00 0.00 H new ATOM 0 HE2 LYS A 339 -4.505 10.361 -0.401 1.00 0.00 H new ATOM 0 HE3 LYS A 339 -5.987 10.070 0.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 -5.151 12.477 0.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 -5.808 12.043 1.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 -4.124 12.150 1.439 1.00 0.00 H new ATOM 482 N LYS A 340 -6.541 6.676 5.091 1.00 0.00 N ATOM 483 CA LYS A 340 -7.157 5.779 6.059 1.00 0.00 C ATOM 484 C LYS A 340 -7.467 4.510 5.284 1.00 0.00 C ATOM 485 O LYS A 340 -7.501 3.404 5.828 1.00 0.00 O ATOM 486 CB LYS A 340 -8.446 6.377 6.632 1.00 0.00 C ATOM 487 CG LYS A 340 -8.706 6.036 8.095 1.00 0.00 C ATOM 488 CD LYS A 340 -8.441 4.568 8.399 1.00 0.00 C ATOM 489 CE LYS A 340 -9.434 4.017 9.409 1.00 0.00 C ATOM 490 NZ LYS A 340 -9.005 4.279 10.810 1.00 0.00 N ATOM 0 H LYS A 340 -6.965 7.601 5.020 1.00 0.00 H new ATOM 0 HA LYS A 340 -6.497 5.598 6.908 1.00 0.00 H new ATOM 0 HB2 LYS A 340 -8.407 7.461 6.526 1.00 0.00 H new ATOM 0 HB3 LYS A 340 -9.289 6.029 6.036 1.00 0.00 H new ATOM 0 HG2 LYS A 340 -8.073 6.657 8.729 1.00 0.00 H new ATOM 0 HG3 LYS A 340 -9.740 6.276 8.344 1.00 0.00 H new ATOM 0 HD2 LYS A 340 -8.499 3.989 7.477 1.00 0.00 H new ATOM 0 HD3 LYS A 340 -7.428 4.453 8.784 1.00 0.00 H new ATOM 0 HE2 LYS A 340 -10.412 4.467 9.239 1.00 0.00 H new ATOM 0 HE3 LYS A 340 -9.547 2.943 9.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 340 -9.556 3.682 11.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 340 -7.994 4.058 10.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 340 -9.165 5.281 11.040 1.00 0.00 H new ATOM 504 N ASP A 341 -7.638 4.744 3.969 1.00 0.00 N ATOM 505 CA ASP A 341 -7.897 3.733 2.946 1.00 0.00 C ATOM 506 C ASP A 341 -9.340 3.787 2.424 1.00 0.00 C ATOM 507 O ASP A 341 -9.550 3.979 1.225 1.00 0.00 O ATOM 508 CB ASP A 341 -7.545 2.318 3.415 1.00 0.00 C ATOM 509 CG ASP A 341 -7.742 1.279 2.328 1.00 0.00 C ATOM 510 OD1 ASP A 341 -7.496 1.602 1.146 1.00 0.00 O ATOM 511 OD2 ASP A 341 -8.141 0.142 2.657 1.00 0.00 O ATOM 0 H ASP A 341 -7.596 5.687 3.582 1.00 0.00 H new ATOM 0 HA ASP A 341 -7.234 3.978 2.116 1.00 0.00 H new ATOM 0 HB2 ASP A 341 -6.508 2.297 3.749 1.00 0.00 H new ATOM 0 HB3 ASP A 341 -8.162 2.060 4.276 1.00 0.00 H new ATOM 516 N PRO A 342 -10.364 3.612 3.290 1.00 0.00 N ATOM 517 CA PRO A 342 -11.757 3.639 2.867 1.00 0.00 C ATOM 518 C PRO A 342 -12.364 5.040 2.907 1.00 0.00 C ATOM 519 O PRO A 342 -12.418 5.730 1.888 1.00 0.00 O ATOM 520 CB PRO A 342 -12.452 2.720 3.883 1.00 0.00 C ATOM 521 CG PRO A 342 -11.478 2.511 5.008 1.00 0.00 C ATOM 522 CD PRO A 342 -10.270 3.367 4.730 1.00 0.00 C ATOM 0 HA PRO A 342 -11.870 3.321 1.831 1.00 0.00 H new ATOM 0 HB2 PRO A 342 -13.374 3.173 4.248 1.00 0.00 H new ATOM 0 HB3 PRO A 342 -12.723 1.770 3.424 1.00 0.00 H new ATOM 0 HG2 PRO A 342 -11.930 2.785 5.961 1.00 0.00 H new ATOM 0 HG3 PRO A 342 -11.195 1.461 5.079 1.00 0.00 H new ATOM 0 HD2 PRO A 342 -10.294 4.296 5.300 1.00 0.00 H new ATOM 0 HD3 PRO A 342 -9.344 2.856 4.993 1.00 0.00 H new ATOM 530 N LEU A 343 -12.829 5.451 4.084 1.00 0.00 N ATOM 531 CA LEU A 343 -13.443 6.765 4.252 1.00 0.00 C ATOM 532 C LEU A 343 -12.393 7.871 4.252 1.00 0.00 C ATOM 533 O LEU A 343 -12.547 8.886 3.572 1.00 0.00 O ATOM 534 CB LEU A 343 -14.247 6.810 5.554 1.00 0.00 C ATOM 535 CG LEU A 343 -14.904 5.488 5.958 1.00 0.00 C ATOM 536 CD1 LEU A 343 -14.352 5.004 7.290 1.00 0.00 C ATOM 537 CD2 LEU A 343 -16.416 5.644 6.030 1.00 0.00 C ATOM 0 H LEU A 343 -12.792 4.892 4.936 1.00 0.00 H new ATOM 0 HA LEU A 343 -14.113 6.932 3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 343 -13.587 7.131 6.360 1.00 0.00 H new ATOM 0 HB3 LEU A 343 -15.023 7.569 5.457 1.00 0.00 H new ATOM 0 HG LEU A 343 -14.672 4.741 5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 343 -14.830 4.063 7.562 1.00 0.00 H new ATOM 0 HD12 LEU A 343 -13.276 4.853 7.205 1.00 0.00 H new ATOM 0 HD13 LEU A 343 -14.554 5.749 8.060 1.00 0.00 H new ATOM 0 HD21 LEU A 343 -16.866 4.694 6.319 1.00 0.00 H new ATOM 0 HD22 LEU A 343 -16.669 6.405 6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 343 -16.798 5.945 5.054 1.00 0.00 H new ATOM 549 N GLY A 344 -11.332 7.675 5.026 1.00 0.00 N ATOM 550 CA GLY A 344 -10.278 8.668 5.111 1.00 0.00 C ATOM 551 C GLY A 344 -10.185 9.279 6.495 1.00 0.00 C ATOM 552 O GLY A 344 -9.939 10.477 6.639 1.00 0.00 O ATOM 0 H GLY A 344 -11.183 6.844 5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 344 -9.324 8.208 4.853 1.00 0.00 H new ATOM 0 HA3 GLY A 344 -10.461 9.455 4.379 1.00 0.00 H new ATOM 556 N ARG A 345 -10.393 8.451 7.513 1.00 0.00 N ATOM 557 CA ARG A 345 -10.346 8.908 8.896 1.00 0.00 C ATOM 558 C ARG A 345 -8.905 9.047 9.402 1.00 0.00 C ATOM 559 O ARG A 345 -8.124 9.825 8.854 1.00 0.00 O ATOM 560 CB ARG A 345 -11.144 7.954 9.791 1.00 0.00 C ATOM 561 CG ARG A 345 -11.975 8.667 10.845 1.00 0.00 C ATOM 562 CD ARG A 345 -12.367 7.737 11.979 1.00 0.00 C ATOM 563 NE ARG A 345 -11.342 6.732 12.253 1.00 0.00 N ATOM 564 CZ ARG A 345 -11.542 5.665 13.020 1.00 0.00 C ATOM 565 NH1 ARG A 345 -12.725 5.459 13.581 1.00 0.00 N ATOM 566 NH2 ARG A 345 -10.557 4.800 13.225 1.00 0.00 N ATOM 0 H ARG A 345 -10.596 7.457 7.405 1.00 0.00 H new ATOM 0 HA ARG A 345 -10.799 9.899 8.937 1.00 0.00 H new ATOM 0 HB2 ARG A 345 -11.803 7.349 9.168 1.00 0.00 H new ATOM 0 HB3 ARG A 345 -10.455 7.269 10.285 1.00 0.00 H new ATOM 0 HG2 ARG A 345 -11.410 9.509 11.245 1.00 0.00 H new ATOM 0 HG3 ARG A 345 -12.874 9.076 10.384 1.00 0.00 H new ATOM 0 HD2 ARG A 345 -12.548 8.323 12.880 1.00 0.00 H new ATOM 0 HD3 ARG A 345 -13.304 7.238 11.730 1.00 0.00 H new ATOM 0 HE ARG A 345 -10.421 6.856 11.832 1.00 0.00 H new ATOM 0 HH11 ARG A 345 -13.486 6.120 13.425 1.00 0.00 H new ATOM 0 HH12 ARG A 345 -12.875 4.639 14.169 1.00 0.00 H new ATOM 0 HH21 ARG A 345 -9.645 4.954 12.794 1.00 0.00 H new ATOM 0 HH22 ARG A 345 -10.711 3.981 13.814 1.00 0.00 H new ATOM 580 N ASP A 346 -8.567 8.319 10.471 1.00 0.00 N ATOM 581 CA ASP A 346 -7.237 8.403 11.065 1.00 0.00 C ATOM 582 C ASP A 346 -6.391 7.147 10.816 1.00 0.00 C ATOM 583 O ASP A 346 -6.495 6.509 9.772 1.00 0.00 O ATOM 584 CB ASP A 346 -7.387 8.654 12.564 1.00 0.00 C ATOM 585 CG ASP A 346 -6.686 9.920 13.017 1.00 0.00 C ATOM 586 OD1 ASP A 346 -6.813 10.950 12.321 1.00 0.00 O ATOM 587 OD2 ASP A 346 -6.012 9.883 14.067 1.00 0.00 O ATOM 0 H ASP A 346 -9.197 7.668 10.939 1.00 0.00 H new ATOM 0 HA ASP A 346 -6.706 9.227 10.588 1.00 0.00 H new ATOM 0 HB2 ASP A 346 -8.446 8.721 12.813 1.00 0.00 H new ATOM 0 HB3 ASP A 346 -6.983 7.803 13.113 1.00 0.00 H new ATOM 592 N SER A 347 -5.528 6.823 11.783 1.00 0.00 N ATOM 593 CA SER A 347 -4.631 5.673 11.692 1.00 0.00 C ATOM 594 C SER A 347 -3.588 5.886 10.607 1.00 0.00 C ATOM 595 O SER A 347 -3.823 6.607 9.637 1.00 0.00 O ATOM 596 CB SER A 347 -5.394 4.380 11.420 1.00 0.00 C ATOM 597 OG SER A 347 -6.118 3.960 12.562 1.00 0.00 O ATOM 0 H SER A 347 -5.433 7.352 12.650 1.00 0.00 H new ATOM 0 HA SER A 347 -4.133 5.580 12.657 1.00 0.00 H new ATOM 0 HB2 SER A 347 -6.080 4.529 10.586 1.00 0.00 H new ATOM 0 HB3 SER A 347 -4.695 3.598 11.122 1.00 0.00 H new ATOM 0 HG SER A 347 -6.598 3.130 12.358 1.00 0.00 H new ATOM 603 N ASP A 348 -2.423 5.274 10.784 1.00 0.00 N ATOM 604 CA ASP A 348 -1.347 5.427 9.828 1.00 0.00 C ATOM 605 C ASP A 348 -1.156 4.169 8.974 1.00 0.00 C ATOM 606 O ASP A 348 -0.494 3.209 9.368 1.00 0.00 O ATOM 607 CB ASP A 348 -0.100 5.772 10.618 1.00 0.00 C ATOM 608 CG ASP A 348 0.594 4.566 11.223 1.00 0.00 C ATOM 609 OD1 ASP A 348 -0.070 3.807 11.960 1.00 0.00 O ATOM 610 OD2 ASP A 348 1.801 4.382 10.961 1.00 0.00 O ATOM 0 H ASP A 348 -2.205 4.672 11.578 1.00 0.00 H new ATOM 0 HA ASP A 348 -1.579 6.221 9.119 1.00 0.00 H new ATOM 0 HB2 ASP A 348 0.600 6.293 9.965 1.00 0.00 H new ATOM 0 HB3 ASP A 348 -0.367 6.465 11.416 1.00 0.00 H new ATOM 615 N TRP A 349 -1.725 4.201 7.777 1.00 0.00 N ATOM 616 CA TRP A 349 -1.634 3.082 6.851 1.00 0.00 C ATOM 617 C TRP A 349 -1.920 3.547 5.434 1.00 0.00 C ATOM 618 O TRP A 349 -3.070 3.785 5.078 1.00 0.00 O ATOM 619 CB TRP A 349 -2.651 2.005 7.239 1.00 0.00 C ATOM 620 CG TRP A 349 -2.038 0.764 7.805 1.00 0.00 C ATOM 621 CD1 TRP A 349 -2.095 0.338 9.101 1.00 0.00 C ATOM 622 CD2 TRP A 349 -1.284 -0.218 7.091 1.00 0.00 C ATOM 623 NE1 TRP A 349 -1.420 -0.850 9.236 1.00 0.00 N ATOM 624 CE2 TRP A 349 -0.913 -1.212 8.017 1.00 0.00 C ATOM 625 CE3 TRP A 349 -0.884 -0.355 5.759 1.00 0.00 C ATOM 626 CZ2 TRP A 349 -0.163 -2.326 7.653 1.00 0.00 C ATOM 627 CZ3 TRP A 349 -0.141 -1.456 5.402 1.00 0.00 C ATOM 628 CH2 TRP A 349 0.214 -2.431 6.343 1.00 0.00 C ATOM 0 H TRP A 349 -2.258 4.996 7.423 1.00 0.00 H new ATOM 0 HA TRP A 349 -0.625 2.672 6.899 1.00 0.00 H new ATOM 0 HB2 TRP A 349 -3.344 2.421 7.970 1.00 0.00 H new ATOM 0 HB3 TRP A 349 -3.237 1.740 6.359 1.00 0.00 H new ATOM 0 HD1 TRP A 349 -2.597 0.859 9.902 1.00 0.00 H new ATOM 0 HE1 TRP A 349 -1.314 -1.377 10.103 1.00 0.00 H new ATOM 0 HE3 TRP A 349 -1.153 0.389 5.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 349 0.111 -3.079 8.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 349 0.175 -1.571 4.376 1.00 0.00 H new ATOM 0 HH2 TRP A 349 0.797 -3.283 6.027 1.00 0.00 H new ATOM 639 N TRP A 350 -0.878 3.678 4.627 1.00 0.00 N ATOM 640 CA TRP A 350 -1.052 4.122 3.253 1.00 0.00 C ATOM 641 C TRP A 350 -0.539 3.089 2.268 1.00 0.00 C ATOM 642 O TRP A 350 0.321 2.276 2.591 1.00 0.00 O ATOM 643 CB TRP A 350 -0.311 5.438 3.001 1.00 0.00 C ATOM 644 CG TRP A 350 -0.589 6.526 3.991 1.00 0.00 C ATOM 645 CD1 TRP A 350 -1.677 6.664 4.808 1.00 0.00 C ATOM 646 CD2 TRP A 350 0.249 7.652 4.248 1.00 0.00 C ATOM 647 NE1 TRP A 350 -1.555 7.805 5.564 1.00 0.00 N ATOM 648 CE2 TRP A 350 -0.379 8.431 5.235 1.00 0.00 C ATOM 649 CE3 TRP A 350 1.479 8.073 3.736 1.00 0.00 C ATOM 650 CZ2 TRP A 350 0.184 9.609 5.721 1.00 0.00 C ATOM 651 CZ3 TRP A 350 2.035 9.239 4.215 1.00 0.00 C ATOM 652 CH2 TRP A 350 1.389 9.997 5.199 1.00 0.00 C ATOM 0 H TRP A 350 0.087 3.486 4.896 1.00 0.00 H new ATOM 0 HA TRP A 350 -2.122 4.266 3.104 1.00 0.00 H new ATOM 0 HB2 TRP A 350 0.760 5.238 2.997 1.00 0.00 H new ATOM 0 HB3 TRP A 350 -0.572 5.799 2.006 1.00 0.00 H new ATOM 0 HD1 TRP A 350 -2.509 5.977 4.852 1.00 0.00 H new ATOM 0 HE1 TRP A 350 -2.228 8.133 6.256 1.00 0.00 H new ATOM 0 HE3 TRP A 350 1.985 7.494 2.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 350 -0.312 10.194 6.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 350 2.985 9.574 3.825 1.00 0.00 H new ATOM 0 HH2 TRP A 350 1.851 10.907 5.554 1.00 0.00 H new ATOM 663 N LYS A 351 -1.055 3.158 1.053 1.00 0.00 N ATOM 664 CA LYS A 351 -0.646 2.269 -0.013 1.00 0.00 C ATOM 665 C LYS A 351 0.285 3.030 -0.952 1.00 0.00 C ATOM 666 O LYS A 351 0.025 4.188 -1.288 1.00 0.00 O ATOM 667 CB LYS A 351 -1.880 1.751 -0.754 1.00 0.00 C ATOM 668 CG LYS A 351 -2.369 2.658 -1.872 1.00 0.00 C ATOM 669 CD LYS A 351 -1.761 2.274 -3.212 1.00 0.00 C ATOM 670 CE LYS A 351 -2.595 1.221 -3.926 1.00 0.00 C ATOM 671 NZ LYS A 351 -4.045 1.350 -3.614 1.00 0.00 N ATOM 0 H LYS A 351 -1.769 3.833 0.781 1.00 0.00 H new ATOM 0 HA LYS A 351 -0.113 1.408 0.391 1.00 0.00 H new ATOM 0 HB2 LYS A 351 -1.653 0.770 -1.172 1.00 0.00 H new ATOM 0 HB3 LYS A 351 -2.688 1.612 -0.036 1.00 0.00 H new ATOM 0 HG2 LYS A 351 -3.456 2.604 -1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 351 -2.115 3.692 -1.640 1.00 0.00 H new ATOM 0 HD2 LYS A 351 -1.677 3.160 -3.841 1.00 0.00 H new ATOM 0 HD3 LYS A 351 -0.750 1.895 -3.058 1.00 0.00 H new ATOM 0 HE2 LYS A 351 -2.447 1.310 -5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 351 -2.249 0.228 -3.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 -4.601 0.838 -4.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 -4.235 0.948 -2.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 -4.314 2.355 -3.621 1.00 0.00 H new ATOM 685 N VAL A 352 1.386 2.403 -1.341 1.00 0.00 N ATOM 686 CA VAL A 352 2.350 3.069 -2.202 1.00 0.00 C ATOM 687 C VAL A 352 2.752 2.238 -3.407 1.00 0.00 C ATOM 688 O VAL A 352 2.564 1.019 -3.445 1.00 0.00 O ATOM 689 CB VAL A 352 3.631 3.440 -1.428 1.00 0.00 C ATOM 690 CG1 VAL A 352 3.294 4.251 -0.187 1.00 0.00 C ATOM 691 CG2 VAL A 352 4.421 2.188 -1.069 1.00 0.00 C ATOM 0 H VAL A 352 1.631 1.448 -1.078 1.00 0.00 H new ATOM 0 HA VAL A 352 1.842 3.967 -2.554 1.00 0.00 H new ATOM 0 HB VAL A 352 4.256 4.059 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 352 4.212 4.502 0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 352 2.782 5.168 -0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 352 2.646 3.666 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 352 5.321 2.470 -0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 352 3.808 1.537 -0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 352 4.700 1.660 -1.981 1.00 0.00 H new ATOM 701 N ARG A 353 3.337 2.931 -4.377 1.00 0.00 N ATOM 702 CA ARG A 353 3.821 2.308 -5.597 1.00 0.00 C ATOM 703 C ARG A 353 5.284 2.675 -5.815 1.00 0.00 C ATOM 704 O ARG A 353 5.632 3.855 -5.877 1.00 0.00 O ATOM 705 CB ARG A 353 2.986 2.745 -6.801 1.00 0.00 C ATOM 706 CG ARG A 353 2.872 1.680 -7.874 1.00 0.00 C ATOM 707 CD ARG A 353 1.779 2.007 -8.875 1.00 0.00 C ATOM 708 NE ARG A 353 0.989 3.171 -8.478 1.00 0.00 N ATOM 709 CZ ARG A 353 1.104 4.367 -9.046 1.00 0.00 C ATOM 710 NH1 ARG A 353 1.976 4.559 -10.027 1.00 0.00 N ATOM 711 NH2 ARG A 353 0.346 5.374 -8.633 1.00 0.00 N ATOM 0 H ARG A 353 3.488 3.939 -4.337 1.00 0.00 H new ATOM 0 HA ARG A 353 3.730 1.227 -5.494 1.00 0.00 H new ATOM 0 HB2 ARG A 353 1.986 3.016 -6.461 1.00 0.00 H new ATOM 0 HB3 ARG A 353 3.429 3.641 -7.235 1.00 0.00 H new ATOM 0 HG2 ARG A 353 3.825 1.584 -8.394 1.00 0.00 H new ATOM 0 HG3 ARG A 353 2.664 0.716 -7.410 1.00 0.00 H new ATOM 0 HD2 ARG A 353 2.228 2.192 -9.851 1.00 0.00 H new ATOM 0 HD3 ARG A 353 1.121 1.145 -8.985 1.00 0.00 H new ATOM 0 HE ARG A 353 0.312 3.059 -7.723 1.00 0.00 H new ATOM 0 HH11 ARG A 353 2.561 3.787 -10.348 1.00 0.00 H new ATOM 0 HH12 ARG A 353 2.062 5.478 -10.461 1.00 0.00 H new ATOM 0 HH21 ARG A 353 -0.326 5.231 -7.879 1.00 0.00 H new ATOM 0 HH22 ARG A 353 0.435 6.292 -9.069 1.00 0.00 H new ATOM 725 N THR A 354 6.140 1.666 -5.926 1.00 0.00 N ATOM 726 CA THR A 354 7.564 1.903 -6.132 1.00 0.00 C ATOM 727 C THR A 354 7.933 1.655 -7.582 1.00 0.00 C ATOM 728 O THR A 354 7.700 0.567 -8.112 1.00 0.00 O ATOM 729 CB THR A 354 8.439 1.010 -5.226 1.00 0.00 C ATOM 730 OG1 THR A 354 9.166 0.062 -6.018 1.00 0.00 O ATOM 731 CG2 THR A 354 7.592 0.275 -4.201 1.00 0.00 C ATOM 0 H THR A 354 5.876 0.682 -5.877 1.00 0.00 H new ATOM 0 HA THR A 354 7.756 2.943 -5.870 1.00 0.00 H new ATOM 0 HB THR A 354 9.141 1.655 -4.697 1.00 0.00 H new ATOM 0 HG1 THR A 354 8.603 -0.245 -6.759 1.00 0.00 H new ATOM 0 HG21 THR A 354 8.234 -0.346 -3.577 1.00 0.00 H new ATOM 0 HG22 THR A 354 7.068 0.998 -3.576 1.00 0.00 H new ATOM 0 HG23 THR A 354 6.865 -0.355 -4.714 1.00 0.00 H new ATOM 739 N LYS A 355 8.499 2.677 -8.222 1.00 0.00 N ATOM 740 CA LYS A 355 8.889 2.584 -9.621 1.00 0.00 C ATOM 741 C LYS A 355 7.716 2.101 -10.466 1.00 0.00 C ATOM 742 O LYS A 355 7.900 1.472 -11.508 1.00 0.00 O ATOM 743 CB LYS A 355 10.083 1.646 -9.758 1.00 0.00 C ATOM 744 CG LYS A 355 11.145 1.909 -8.708 1.00 0.00 C ATOM 745 CD LYS A 355 11.786 0.620 -8.217 1.00 0.00 C ATOM 746 CE LYS A 355 13.241 0.836 -7.833 1.00 0.00 C ATOM 747 NZ LYS A 355 14.083 1.173 -9.013 1.00 0.00 N ATOM 0 H LYS A 355 8.697 3.579 -7.790 1.00 0.00 H new ATOM 0 HA LYS A 355 9.178 3.571 -9.981 1.00 0.00 H new ATOM 0 HB2 LYS A 355 9.742 0.614 -9.677 1.00 0.00 H new ATOM 0 HB3 LYS A 355 10.520 1.760 -10.750 1.00 0.00 H new ATOM 0 HG2 LYS A 355 11.913 2.561 -9.123 1.00 0.00 H new ATOM 0 HG3 LYS A 355 10.700 2.437 -7.865 1.00 0.00 H new ATOM 0 HD2 LYS A 355 11.233 0.242 -7.357 1.00 0.00 H new ATOM 0 HD3 LYS A 355 11.723 -0.140 -8.996 1.00 0.00 H new ATOM 0 HE2 LYS A 355 13.307 1.639 -7.099 1.00 0.00 H new ATOM 0 HE3 LYS A 355 13.628 -0.065 -7.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 15.066 0.888 -8.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 13.726 0.668 -9.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 14.045 2.198 -9.185 1.00 0.00 H new ATOM 761 N ASN A 356 6.506 2.400 -9.990 1.00 0.00 N ATOM 762 CA ASN A 356 5.281 1.999 -10.675 1.00 0.00 C ATOM 763 C ASN A 356 5.295 0.502 -10.957 1.00 0.00 C ATOM 764 O ASN A 356 4.689 0.028 -11.918 1.00 0.00 O ATOM 765 CB ASN A 356 5.104 2.782 -11.977 1.00 0.00 C ATOM 766 CG ASN A 356 5.790 4.134 -11.937 1.00 0.00 C ATOM 767 OD1 ASN A 356 5.561 4.934 -11.031 1.00 0.00 O ATOM 768 ND2 ASN A 356 6.640 4.395 -12.925 1.00 0.00 N ATOM 0 H ASN A 356 6.350 2.922 -9.127 1.00 0.00 H new ATOM 0 HA ASN A 356 4.438 2.225 -10.022 1.00 0.00 H new ATOM 0 HB2 ASN A 356 5.505 2.199 -12.806 1.00 0.00 H new ATOM 0 HB3 ASN A 356 4.041 2.923 -12.171 1.00 0.00 H new ATOM 0 HD21 ASN A 356 7.132 5.288 -12.952 1.00 0.00 H new ATOM 0 HD22 ASN A 356 6.800 3.702 -13.656 1.00 0.00 H new ATOM 775 N GLY A 357 5.995 -0.232 -10.100 1.00 0.00 N ATOM 776 CA GLY A 357 6.093 -1.669 -10.248 1.00 0.00 C ATOM 777 C GLY A 357 5.534 -2.408 -9.049 1.00 0.00 C ATOM 778 O GLY A 357 4.845 -3.417 -9.207 1.00 0.00 O ATOM 0 H GLY A 357 6.500 0.148 -9.299 1.00 0.00 H new ATOM 0 HA2 GLY A 357 5.556 -1.977 -11.145 1.00 0.00 H new ATOM 0 HA3 GLY A 357 7.137 -1.947 -10.390 1.00 0.00 H new ATOM 782 N ASN A 358 5.822 -1.910 -7.845 1.00 0.00 N ATOM 783 CA ASN A 358 5.323 -2.548 -6.632 1.00 0.00 C ATOM 784 C ASN A 358 4.134 -1.783 -6.068 1.00 0.00 C ATOM 785 O ASN A 358 4.291 -0.701 -5.503 1.00 0.00 O ATOM 786 CB ASN A 358 6.423 -2.649 -5.576 1.00 0.00 C ATOM 787 CG ASN A 358 6.766 -4.088 -5.235 1.00 0.00 C ATOM 788 OD1 ASN A 358 6.303 -5.022 -5.892 1.00 0.00 O ATOM 789 ND2 ASN A 358 7.579 -4.275 -4.202 1.00 0.00 N ATOM 0 H ASN A 358 6.391 -1.078 -7.687 1.00 0.00 H new ATOM 0 HA ASN A 358 5.000 -3.555 -6.897 1.00 0.00 H new ATOM 0 HB2 ASN A 358 7.317 -2.141 -5.937 1.00 0.00 H new ATOM 0 HB3 ASN A 358 6.104 -2.130 -4.672 1.00 0.00 H new ATOM 0 HD21 ASN A 358 7.843 -5.221 -3.925 1.00 0.00 H new ATOM 0 HD22 ASN A 358 7.940 -3.473 -3.685 1.00 0.00 H new ATOM 796 N ILE A 359 2.944 -2.353 -6.230 1.00 0.00 N ATOM 797 CA ILE A 359 1.722 -1.728 -5.740 1.00 0.00 C ATOM 798 C ILE A 359 1.182 -2.469 -4.522 1.00 0.00 C ATOM 799 O ILE A 359 0.714 -3.602 -4.633 1.00 0.00 O ATOM 800 CB ILE A 359 0.643 -1.688 -6.838 1.00 0.00 C ATOM 801 CG1 ILE A 359 1.287 -1.314 -8.173 1.00 0.00 C ATOM 802 CG2 ILE A 359 -0.456 -0.703 -6.470 1.00 0.00 C ATOM 803 CD1 ILE A 359 0.343 -1.377 -9.354 1.00 0.00 C ATOM 0 H ILE A 359 2.801 -3.248 -6.698 1.00 0.00 H new ATOM 0 HA ILE A 359 1.971 -0.706 -5.452 1.00 0.00 H new ATOM 0 HB ILE A 359 0.188 -2.674 -6.931 1.00 0.00 H new ATOM 0 HG12 ILE A 359 1.692 -0.305 -8.099 1.00 0.00 H new ATOM 0 HG13 ILE A 359 2.128 -1.982 -8.358 1.00 0.00 H new ATOM 0 HG21 ILE A 359 -1.210 -0.688 -7.257 1.00 0.00 H new ATOM 0 HG22 ILE A 359 -0.918 -1.008 -5.531 1.00 0.00 H new ATOM 0 HG23 ILE A 359 -0.029 0.293 -6.358 1.00 0.00 H new ATOM 0 HD11 ILE A 359 0.877 -1.098 -10.262 1.00 0.00 H new ATOM 0 HD12 ILE A 359 -0.043 -2.391 -9.458 1.00 0.00 H new ATOM 0 HD13 ILE A 359 -0.486 -0.688 -9.194 1.00 0.00 H new ATOM 815 N GLY A 360 1.263 -1.829 -3.357 1.00 0.00 N ATOM 816 CA GLY A 360 0.790 -2.459 -2.136 1.00 0.00 C ATOM 817 C GLY A 360 0.542 -1.464 -1.019 1.00 0.00 C ATOM 818 O GLY A 360 0.552 -0.256 -1.258 1.00 0.00 O ATOM 0 H GLY A 360 1.645 -0.891 -3.237 1.00 0.00 H new ATOM 0 HA2 GLY A 360 -0.133 -3.000 -2.346 1.00 0.00 H new ATOM 0 HA3 GLY A 360 1.523 -3.195 -1.805 1.00 0.00 H new ATOM 822 N TYR A 361 0.327 -1.953 0.210 1.00 0.00 N ATOM 823 CA TYR A 361 0.094 -1.046 1.334 1.00 0.00 C ATOM 824 C TYR A 361 1.377 -0.852 2.134 1.00 0.00 C ATOM 825 O TYR A 361 2.397 -1.473 1.838 1.00 0.00 O ATOM 826 CB TYR A 361 -1.030 -1.558 2.240 1.00 0.00 C ATOM 827 CG TYR A 361 -2.407 -1.420 1.630 1.00 0.00 C ATOM 828 CD1 TYR A 361 -2.867 -2.339 0.695 1.00 0.00 C ATOM 829 CD2 TYR A 361 -3.246 -0.374 1.991 1.00 0.00 C ATOM 830 CE1 TYR A 361 -4.125 -2.216 0.136 1.00 0.00 C ATOM 831 CE2 TYR A 361 -4.505 -0.245 1.437 1.00 0.00 C ATOM 832 CZ TYR A 361 -4.940 -1.169 0.510 1.00 0.00 C ATOM 833 OH TYR A 361 -6.193 -1.044 -0.044 1.00 0.00 O ATOM 0 H TYR A 361 0.310 -2.945 0.445 1.00 0.00 H new ATOM 0 HA TYR A 361 -0.217 -0.083 0.929 1.00 0.00 H new ATOM 0 HB2 TYR A 361 -0.848 -2.607 2.473 1.00 0.00 H new ATOM 0 HB3 TYR A 361 -1.003 -1.012 3.183 1.00 0.00 H new ATOM 0 HD1 TYR A 361 -2.232 -3.162 0.401 1.00 0.00 H new ATOM 0 HD2 TYR A 361 -2.909 0.351 2.717 1.00 0.00 H new ATOM 0 HE1 TYR A 361 -4.468 -2.937 -0.591 1.00 0.00 H new ATOM 0 HE2 TYR A 361 -5.145 0.575 1.728 1.00 0.00 H new ATOM 0 HH TYR A 361 -6.625 -0.236 0.304 1.00 0.00 H new ATOM 843 N ILE A 362 1.328 0.022 3.139 1.00 0.00 N ATOM 844 CA ILE A 362 2.503 0.299 3.962 1.00 0.00 C ATOM 845 C ILE A 362 2.193 1.309 5.069 1.00 0.00 C ATOM 846 O ILE A 362 1.818 2.448 4.793 1.00 0.00 O ATOM 847 CB ILE A 362 3.671 0.840 3.105 1.00 0.00 C ATOM 848 CG1 ILE A 362 4.672 1.623 3.959 1.00 0.00 C ATOM 849 CG2 ILE A 362 3.142 1.722 1.988 1.00 0.00 C ATOM 850 CD1 ILE A 362 5.626 0.751 4.736 1.00 0.00 C ATOM 0 H ILE A 362 0.493 0.547 3.401 1.00 0.00 H new ATOM 0 HA ILE A 362 2.793 -0.648 4.417 1.00 0.00 H new ATOM 0 HB ILE A 362 4.189 -0.015 2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 362 5.246 2.286 3.312 1.00 0.00 H new ATOM 0 HG13 ILE A 362 4.123 2.255 4.657 1.00 0.00 H new ATOM 0 HG21 ILE A 362 3.976 2.095 1.393 1.00 0.00 H new ATOM 0 HG22 ILE A 362 2.474 1.142 1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 362 2.596 2.563 2.416 1.00 0.00 H new ATOM 0 HD11 ILE A 362 6.303 1.379 5.316 1.00 0.00 H new ATOM 0 HD12 ILE A 362 5.062 0.106 5.410 1.00 0.00 H new ATOM 0 HD13 ILE A 362 6.203 0.137 4.045 1.00 0.00 H new ATOM 862 N PRO A 363 2.370 0.902 6.340 1.00 0.00 N ATOM 863 CA PRO A 363 2.136 1.771 7.494 1.00 0.00 C ATOM 864 C PRO A 363 2.795 3.130 7.302 1.00 0.00 C ATOM 865 O PRO A 363 3.860 3.223 6.691 1.00 0.00 O ATOM 866 CB PRO A 363 2.798 1.022 8.666 1.00 0.00 C ATOM 867 CG PRO A 363 3.486 -0.169 8.068 1.00 0.00 C ATOM 868 CD PRO A 363 2.826 -0.426 6.748 1.00 0.00 C ATOM 0 HA PRO A 363 1.075 1.965 7.654 1.00 0.00 H new ATOM 0 HB2 PRO A 363 3.511 1.663 9.185 1.00 0.00 H new ATOM 0 HB3 PRO A 363 2.054 0.713 9.400 1.00 0.00 H new ATOM 0 HG2 PRO A 363 4.551 0.024 7.938 1.00 0.00 H new ATOM 0 HG3 PRO A 363 3.397 -1.037 8.721 1.00 0.00 H new ATOM 0 HD2 PRO A 363 3.522 -0.853 6.026 1.00 0.00 H new ATOM 0 HD3 PRO A 363 1.996 -1.126 6.842 1.00 0.00 H new ATOM 876 N TYR A 364 2.165 4.188 7.807 1.00 0.00 N ATOM 877 CA TYR A 364 2.736 5.529 7.649 1.00 0.00 C ATOM 878 C TYR A 364 4.007 5.691 8.482 1.00 0.00 C ATOM 879 O TYR A 364 4.878 6.497 8.150 1.00 0.00 O ATOM 880 CB TYR A 364 1.707 6.606 8.022 1.00 0.00 C ATOM 881 CG TYR A 364 2.285 7.797 8.769 1.00 0.00 C ATOM 882 CD1 TYR A 364 2.418 7.788 10.155 1.00 0.00 C ATOM 883 CD2 TYR A 364 2.698 8.931 8.084 1.00 0.00 C ATOM 884 CE1 TYR A 364 2.943 8.872 10.831 1.00 0.00 C ATOM 885 CE2 TYR A 364 3.224 10.019 8.753 1.00 0.00 C ATOM 886 CZ TYR A 364 3.344 9.985 10.126 1.00 0.00 C ATOM 887 OH TYR A 364 3.869 11.068 10.794 1.00 0.00 O ATOM 0 H TYR A 364 1.282 4.150 8.317 1.00 0.00 H new ATOM 0 HA TYR A 364 3.003 5.655 6.600 1.00 0.00 H new ATOM 0 HB2 TYR A 364 1.227 6.963 7.111 1.00 0.00 H new ATOM 0 HB3 TYR A 364 0.929 6.151 8.635 1.00 0.00 H new ATOM 0 HD1 TYR A 364 2.105 6.917 10.712 1.00 0.00 H new ATOM 0 HD2 TYR A 364 2.607 8.963 7.008 1.00 0.00 H new ATOM 0 HE1 TYR A 364 3.039 8.847 11.906 1.00 0.00 H new ATOM 0 HE2 TYR A 364 3.540 10.893 8.203 1.00 0.00 H new ATOM 0 HH TYR A 364 4.103 11.768 10.149 1.00 0.00 H new ATOM 897 N ASN A 365 4.101 4.934 9.568 1.00 0.00 N ATOM 898 CA ASN A 365 5.257 5.010 10.456 1.00 0.00 C ATOM 899 C ASN A 365 6.478 4.306 9.868 1.00 0.00 C ATOM 900 O ASN A 365 7.504 4.176 10.535 1.00 0.00 O ATOM 901 CB ASN A 365 4.914 4.408 11.820 1.00 0.00 C ATOM 902 CG ASN A 365 5.708 5.039 12.947 1.00 0.00 C ATOM 903 OD1 ASN A 365 5.345 6.096 13.462 1.00 0.00 O ATOM 904 ND2 ASN A 365 6.801 4.393 13.336 1.00 0.00 N ATOM 0 H ASN A 365 3.391 4.260 9.856 1.00 0.00 H new ATOM 0 HA ASN A 365 5.509 6.064 10.574 1.00 0.00 H new ATOM 0 HB2 ASN A 365 3.849 4.537 12.013 1.00 0.00 H new ATOM 0 HB3 ASN A 365 5.107 3.335 11.800 1.00 0.00 H new ATOM 0 HD21 ASN A 365 7.376 4.771 14.089 1.00 0.00 H new ATOM 0 HD22 ASN A 365 7.066 3.519 12.882 1.00 0.00 H new ATOM 911 N TYR A 366 6.370 3.854 8.622 1.00 0.00 N ATOM 912 CA TYR A 366 7.483 3.169 7.971 1.00 0.00 C ATOM 913 C TYR A 366 7.999 3.956 6.766 1.00 0.00 C ATOM 914 O TYR A 366 9.173 3.856 6.411 1.00 0.00 O ATOM 915 CB TYR A 366 7.069 1.763 7.543 1.00 0.00 C ATOM 916 CG TYR A 366 7.445 0.693 8.542 1.00 0.00 C ATOM 917 CD1 TYR A 366 6.649 0.442 9.651 1.00 0.00 C ATOM 918 CD2 TYR A 366 8.598 -0.066 8.376 1.00 0.00 C ATOM 919 CE1 TYR A 366 6.990 -0.534 10.568 1.00 0.00 C ATOM 920 CE2 TYR A 366 8.945 -1.043 9.289 1.00 0.00 C ATOM 921 CZ TYR A 366 8.140 -1.273 10.383 1.00 0.00 C ATOM 922 OH TYR A 366 8.482 -2.245 11.295 1.00 0.00 O ATOM 0 H TYR A 366 5.532 3.948 8.047 1.00 0.00 H new ATOM 0 HA TYR A 366 8.294 3.096 8.696 1.00 0.00 H new ATOM 0 HB2 TYR A 366 5.990 1.742 7.389 1.00 0.00 H new ATOM 0 HB3 TYR A 366 7.533 1.532 6.584 1.00 0.00 H new ATOM 0 HD1 TYR A 366 5.748 1.019 9.800 1.00 0.00 H new ATOM 0 HD2 TYR A 366 9.232 0.111 7.520 1.00 0.00 H new ATOM 0 HE1 TYR A 366 6.359 -0.717 11.425 1.00 0.00 H new ATOM 0 HE2 TYR A 366 9.844 -1.624 9.146 1.00 0.00 H new ATOM 0 HH TYR A 366 9.319 -2.674 11.018 1.00 0.00 H new ATOM 932 N ILE A 367 7.121 4.736 6.140 1.00 0.00 N ATOM 933 CA ILE A 367 7.504 5.535 4.978 1.00 0.00 C ATOM 934 C ILE A 367 7.508 7.025 5.300 1.00 0.00 C ATOM 935 O ILE A 367 6.584 7.536 5.932 1.00 0.00 O ATOM 936 CB ILE A 367 6.563 5.291 3.788 1.00 0.00 C ATOM 937 CG1 ILE A 367 5.103 5.342 4.239 1.00 0.00 C ATOM 938 CG2 ILE A 367 6.881 3.959 3.132 1.00 0.00 C ATOM 939 CD1 ILE A 367 4.131 5.628 3.115 1.00 0.00 C ATOM 0 H ILE A 367 6.144 4.832 6.416 1.00 0.00 H new ATOM 0 HA ILE A 367 8.513 5.221 4.710 1.00 0.00 H new ATOM 0 HB ILE A 367 6.717 6.081 3.053 1.00 0.00 H new ATOM 0 HG12 ILE A 367 4.841 4.390 4.701 1.00 0.00 H new ATOM 0 HG13 ILE A 367 4.995 6.109 5.006 1.00 0.00 H new ATOM 0 HG21 ILE A 367 6.207 3.798 2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 367 7.911 3.965 2.776 1.00 0.00 H new ATOM 0 HG23 ILE A 367 6.753 3.156 3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 367 3.115 5.649 3.509 1.00 0.00 H new ATOM 0 HD12 ILE A 367 4.367 6.593 2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 367 4.210 4.848 2.358 1.00 0.00 H new ATOM 951 N GLU A 368 8.556 7.715 4.858 1.00 0.00 N ATOM 952 CA GLU A 368 8.684 9.148 5.094 1.00 0.00 C ATOM 953 C GLU A 368 7.898 9.945 4.052 1.00 0.00 C ATOM 954 O GLU A 368 7.690 9.479 2.933 1.00 0.00 O ATOM 955 CB GLU A 368 10.157 9.563 5.063 1.00 0.00 C ATOM 956 CG GLU A 368 10.404 10.963 5.603 1.00 0.00 C ATOM 957 CD GLU A 368 11.552 11.017 6.592 1.00 0.00 C ATOM 958 OE1 GLU A 368 12.714 10.857 6.161 1.00 0.00 O ATOM 959 OE2 GLU A 368 11.290 11.220 7.796 1.00 0.00 O ATOM 0 H GLU A 368 9.329 7.304 4.334 1.00 0.00 H new ATOM 0 HA GLU A 368 8.272 9.366 6.080 1.00 0.00 H new ATOM 0 HB2 GLU A 368 10.740 8.849 5.646 1.00 0.00 H new ATOM 0 HB3 GLU A 368 10.520 9.509 4.037 1.00 0.00 H new ATOM 0 HG2 GLU A 368 10.614 11.636 4.772 1.00 0.00 H new ATOM 0 HG3 GLU A 368 9.497 11.327 6.086 1.00 0.00 H new ATOM 966 N ILE A 369 7.471 11.146 4.426 1.00 0.00 N ATOM 967 CA ILE A 369 6.716 12.008 3.520 1.00 0.00 C ATOM 968 C ILE A 369 7.609 13.113 2.961 1.00 0.00 C ATOM 969 O ILE A 369 8.410 13.698 3.690 1.00 0.00 O ATOM 970 CB ILE A 369 5.505 12.652 4.229 1.00 0.00 C ATOM 971 CG1 ILE A 369 4.530 11.578 4.720 1.00 0.00 C ATOM 972 CG2 ILE A 369 4.795 13.625 3.296 1.00 0.00 C ATOM 973 CD1 ILE A 369 4.938 10.939 6.029 1.00 0.00 C ATOM 0 H ILE A 369 7.634 11.546 5.350 1.00 0.00 H new ATOM 0 HA ILE A 369 6.354 11.380 2.706 1.00 0.00 H new ATOM 0 HB ILE A 369 5.872 13.205 5.094 1.00 0.00 H new ATOM 0 HG12 ILE A 369 3.542 12.023 4.835 1.00 0.00 H new ATOM 0 HG13 ILE A 369 4.444 10.803 3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 369 3.944 14.069 3.813 1.00 0.00 H new ATOM 0 HG22 ILE A 369 5.487 14.411 2.995 1.00 0.00 H new ATOM 0 HG23 ILE A 369 4.445 13.092 2.412 1.00 0.00 H new ATOM 0 HD11 ILE A 369 4.200 10.189 6.313 1.00 0.00 H new ATOM 0 HD12 ILE A 369 5.912 10.464 5.914 1.00 0.00 H new ATOM 0 HD13 ILE A 369 4.996 11.703 6.804 1.00 0.00 H new ATOM 985 N ILE A 370 7.468 13.398 1.668 1.00 0.00 N ATOM 986 CA ILE A 370 8.271 14.439 1.030 1.00 0.00 C ATOM 987 C ILE A 370 7.393 15.545 0.456 1.00 0.00 C ATOM 988 O ILE A 370 7.929 16.405 -0.274 1.00 0.00 O ATOM 989 CB ILE A 370 9.161 13.870 -0.092 1.00 0.00 C ATOM 990 CG1 ILE A 370 8.664 12.480 -0.484 1.00 0.00 C ATOM 991 CG2 ILE A 370 10.616 13.833 0.361 1.00 0.00 C ATOM 992 CD1 ILE A 370 9.685 11.625 -1.208 1.00 0.00 C ATOM 993 OXT ILE A 370 6.177 15.542 0.740 1.00 0.00 O ATOM 0 H ILE A 370 6.811 12.927 1.046 1.00 0.00 H new ATOM 0 HA ILE A 370 8.910 14.854 1.809 1.00 0.00 H new ATOM 0 HB ILE A 370 9.102 14.515 -0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 370 8.344 11.956 0.416 1.00 0.00 H new ATOM 0 HG13 ILE A 370 7.785 12.589 -1.119 1.00 0.00 H new ATOM 0 HG21 ILE A 370 11.236 13.429 -0.439 1.00 0.00 H new ATOM 0 HG22 ILE A 370 10.948 14.843 0.603 1.00 0.00 H new ATOM 0 HG23 ILE A 370 10.706 13.200 1.244 1.00 0.00 H new ATOM 0 HD11 ILE A 370 9.245 10.657 -1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 370 9.989 12.123 -2.129 1.00 0.00 H new ATOM 0 HD13 ILE A 370 10.556 11.480 -0.570 1.00 0.00 H new