USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 383 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 392 THR OG1 : rot -128:sc= 0.723 USER MOD Set 1.2: A 394 THR OG1 : rot 180:sc= 0.632 USER MOD Set 2.1: A 386 HIS : no HE2:sc= -0.475 X(o=0.7,f=0.52) USER MOD Set 2.2: B 211 TYR OH : rot -109:sc= 1.17 USER MOD Set 3.1: A 385 ASN : amide:sc= -1.89! C(o=-4.2!,f=-7.7!) USER MOD Set 3.2: A 388 ASN : amide:sc= -2.35! C(o=-4.2!,f=-15!) USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ 175:sc= 1.1 (180deg=1.08) USER MOD Single : A 378 LYS NZ :NH3+ -164:sc= 2.04 (180deg=0.77) USER MOD Single : A 381 THR OG1 : rot 47:sc= 0.625 USER MOD Single : A 382 TYR OH : rot -156:sc= 1.56 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 387 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 390 THR OG1 : rot 180:sc= 0 USER MOD Single : A 391 THR OG1 : rot 40:sc= 0.268 USER MOD Single : B 206 SER OG : rot 180:sc= 0 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 -146:sc= -0.145 (180deg=-0.658) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 365 -16.816 -2.783 -3.527 1.00 15.00 N ATOM 2 CA PRO A 365 -15.425 -2.291 -3.404 1.00 15.00 C ATOM 3 C PRO A 365 -15.402 -0.851 -2.902 1.00 15.00 C ATOM 4 O PRO A 365 -15.873 0.058 -3.584 1.00 15.00 O ATOM 5 CB PRO A 365 -14.751 -2.379 -4.762 1.00 15.00 C ATOM 6 CG PRO A 365 -15.892 -2.512 -5.703 1.00 15.00 C ATOM 7 CD PRO A 365 -17.003 -3.192 -4.934 1.00 15.00 C ATOM 0 HA PRO A 365 -14.890 -2.908 -2.682 1.00 15.00 H new ATOM 0 HB2 PRO A 365 -14.156 -1.490 -4.974 1.00 15.00 H new ATOM 0 HB3 PRO A 365 -14.078 -3.235 -4.822 1.00 15.00 H new ATOM 0 HG2 PRO A 365 -16.212 -1.535 -6.066 1.00 15.00 H new ATOM 0 HG3 PRO A 365 -15.609 -3.099 -6.577 1.00 15.00 H new ATOM 0 HD2 PRO A 365 -17.981 -2.886 -5.305 1.00 15.00 H new ATOM 0 HD3 PRO A 365 -16.947 -4.276 -5.039 1.00 15.00 H new ATOM 17 N GLY A 366 -14.873 -0.650 -1.704 1.00 15.00 N ATOM 18 CA GLY A 366 -14.795 0.683 -1.147 1.00 15.00 C ATOM 19 C GLY A 366 -13.368 1.121 -0.894 1.00 15.00 C ATOM 20 O GLY A 366 -12.560 0.347 -0.375 1.00 15.00 O ATOM 0 H GLY A 366 -14.496 -1.387 -1.108 1.00 15.00 H new ATOM 0 HA2 GLY A 366 -15.273 1.387 -1.828 1.00 15.00 H new ATOM 0 HA3 GLY A 366 -15.353 0.716 -0.212 1.00 15.00 H new ATOM 24 N LEU A 367 -13.060 2.352 -1.272 1.00 15.00 N ATOM 25 CA LEU A 367 -11.735 2.922 -1.059 1.00 15.00 C ATOM 26 C LEU A 367 -11.774 3.833 0.166 1.00 15.00 C ATOM 27 O LEU A 367 -12.564 4.782 0.210 1.00 15.00 O ATOM 28 CB LEU A 367 -11.302 3.714 -2.308 1.00 15.00 C ATOM 29 CG LEU A 367 -9.801 4.031 -2.441 1.00 15.00 C ATOM 30 CD1 LEU A 367 -9.485 4.474 -3.860 1.00 15.00 C ATOM 31 CD2 LEU A 367 -9.361 5.109 -1.465 1.00 15.00 C ATOM 0 H LEU A 367 -13.716 2.983 -1.733 1.00 15.00 H new ATOM 0 HA LEU A 367 -11.011 2.125 -0.888 1.00 15.00 H new ATOM 0 HB2 LEU A 367 -11.611 3.153 -3.190 1.00 15.00 H new ATOM 0 HB3 LEU A 367 -11.851 4.656 -2.321 1.00 15.00 H new ATOM 0 HG LEU A 367 -9.253 3.118 -2.206 1.00 15.00 H new ATOM 0 HD11 LEU A 367 -8.421 4.696 -3.944 1.00 15.00 H new ATOM 0 HD12 LEU A 367 -9.745 3.677 -4.556 1.00 15.00 H new ATOM 0 HD13 LEU A 367 -10.062 5.367 -4.099 1.00 15.00 H new ATOM 0 HD21 LEU A 367 -8.296 5.302 -1.592 1.00 15.00 H new ATOM 0 HD22 LEU A 367 -9.921 6.024 -1.657 1.00 15.00 H new ATOM 0 HD23 LEU A 367 -9.550 4.775 -0.445 1.00 15.00 H new ATOM 43 N PRO A 368 -10.931 3.569 1.174 1.00 15.00 N ATOM 44 CA PRO A 368 -10.882 4.374 2.388 1.00 15.00 C ATOM 45 C PRO A 368 -9.897 5.538 2.276 1.00 15.00 C ATOM 46 O PRO A 368 -8.774 5.382 1.793 1.00 15.00 O ATOM 47 CB PRO A 368 -10.404 3.366 3.430 1.00 15.00 C ATOM 48 CG PRO A 368 -9.543 2.402 2.676 1.00 15.00 C ATOM 49 CD PRO A 368 -9.989 2.435 1.232 1.00 15.00 C ATOM 0 HA PRO A 368 -11.839 4.842 2.620 1.00 15.00 H new ATOM 0 HB2 PRO A 368 -9.843 3.857 4.225 1.00 15.00 H new ATOM 0 HB3 PRO A 368 -11.245 2.858 3.901 1.00 15.00 H new ATOM 0 HG2 PRO A 368 -8.492 2.679 2.760 1.00 15.00 H new ATOM 0 HG3 PRO A 368 -9.642 1.397 3.086 1.00 15.00 H new ATOM 0 HD2 PRO A 368 -9.146 2.582 0.557 1.00 15.00 H new ATOM 0 HD3 PRO A 368 -10.470 1.501 0.942 1.00 15.00 H new ATOM 57 N SER A 369 -10.320 6.701 2.754 1.00 15.00 N ATOM 58 CA SER A 369 -9.533 7.917 2.620 1.00 15.00 C ATOM 59 C SER A 369 -8.295 7.852 3.506 1.00 15.00 C ATOM 60 O SER A 369 -8.393 7.698 4.725 1.00 15.00 O ATOM 61 CB SER A 369 -10.391 9.123 2.996 1.00 15.00 C ATOM 62 OG SER A 369 -11.649 9.064 2.340 1.00 15.00 O ATOM 0 H SER A 369 -11.208 6.827 3.240 1.00 15.00 H new ATOM 0 HA SER A 369 -9.206 8.017 1.585 1.00 15.00 H new ATOM 0 HB2 SER A 369 -10.538 9.149 4.076 1.00 15.00 H new ATOM 0 HB3 SER A 369 -9.875 10.043 2.722 1.00 15.00 H new ATOM 0 HG SER A 369 -12.187 9.843 2.593 1.00 15.00 H new ATOM 68 N GLY A 370 -7.135 7.972 2.884 1.00 15.00 N ATOM 69 CA GLY A 370 -5.888 7.840 3.601 1.00 15.00 C ATOM 70 C GLY A 370 -5.075 6.680 3.077 1.00 15.00 C ATOM 71 O GLY A 370 -3.899 6.531 3.408 1.00 15.00 O ATOM 0 H GLY A 370 -7.035 8.160 1.886 1.00 15.00 H new ATOM 0 HA2 GLY A 370 -5.313 8.761 3.508 1.00 15.00 H new ATOM 0 HA3 GLY A 370 -6.090 7.696 4.662 1.00 15.00 H new ATOM 75 N TRP A 371 -5.711 5.855 2.260 1.00 15.00 N ATOM 76 CA TRP A 371 -5.046 4.724 1.639 1.00 15.00 C ATOM 77 C TRP A 371 -4.810 5.004 0.163 1.00 15.00 C ATOM 78 O TRP A 371 -5.762 5.214 -0.591 1.00 15.00 O ATOM 79 CB TRP A 371 -5.896 3.458 1.769 1.00 15.00 C ATOM 80 CG TRP A 371 -5.991 2.906 3.159 1.00 15.00 C ATOM 81 CD1 TRP A 371 -6.534 3.514 4.255 1.00 15.00 C ATOM 82 CD2 TRP A 371 -5.552 1.614 3.591 1.00 15.00 C ATOM 83 NE1 TRP A 371 -6.459 2.675 5.341 1.00 15.00 N ATOM 84 CE2 TRP A 371 -5.859 1.504 4.960 1.00 15.00 C ATOM 85 CE3 TRP A 371 -4.929 0.538 2.951 1.00 15.00 C ATOM 86 CZ2 TRP A 371 -5.563 0.363 5.700 1.00 15.00 C ATOM 87 CZ3 TRP A 371 -4.634 -0.595 3.687 1.00 15.00 C ATOM 88 CH2 TRP A 371 -4.954 -0.675 5.048 1.00 15.00 C ATOM 0 H TRP A 371 -6.696 5.951 2.011 1.00 15.00 H new ATOM 0 HA TRP A 371 -4.094 4.573 2.147 1.00 15.00 H new ATOM 0 HB2 TRP A 371 -6.902 3.674 1.409 1.00 15.00 H new ATOM 0 HB3 TRP A 371 -5.482 2.690 1.116 1.00 15.00 H new ATOM 0 HD1 TRP A 371 -6.959 4.507 4.266 1.00 15.00 H new ATOM 0 HE1 TRP A 371 -6.796 2.890 6.280 1.00 15.00 H new ATOM 0 HE3 TRP A 371 -4.683 0.591 1.901 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 -5.805 0.299 6.751 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 -4.149 -1.431 3.205 1.00 15.00 H new ATOM 0 HH2 TRP A 371 -4.715 -1.575 5.595 1.00 15.00 H new ATOM 99 N GLU A 372 -3.553 5.018 -0.257 1.00 15.00 N ATOM 100 CA GLU A 372 -3.257 5.163 -1.671 1.00 15.00 C ATOM 101 C GLU A 372 -2.921 3.795 -2.241 1.00 15.00 C ATOM 102 O GLU A 372 -1.834 3.256 -2.025 1.00 15.00 O ATOM 103 CB GLU A 372 -2.131 6.171 -1.939 1.00 15.00 C ATOM 104 CG GLU A 372 -2.210 7.427 -1.087 1.00 15.00 C ATOM 105 CD GLU A 372 -3.531 8.151 -1.223 1.00 15.00 C ATOM 106 OE1 GLU A 372 -3.806 8.691 -2.311 1.00 15.00 O ATOM 107 OE2 GLU A 372 -4.287 8.198 -0.235 1.00 15.00 O1- ATOM 0 H GLU A 372 -2.737 4.932 0.349 1.00 15.00 H new ATOM 0 HA GLU A 372 -4.139 5.566 -2.169 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.172 5.684 -1.762 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -2.155 6.456 -2.991 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -2.054 7.161 -0.042 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -1.401 8.102 -1.368 1.00 15.00 H new ATOM 114 N GLU A 373 -3.891 3.225 -2.927 1.00 15.00 N ATOM 115 CA GLU A 373 -3.815 1.851 -3.394 1.00 15.00 C ATOM 116 C GLU A 373 -3.206 1.823 -4.769 1.00 15.00 C ATOM 117 O GLU A 373 -3.852 2.156 -5.764 1.00 15.00 O ATOM 118 CB GLU A 373 -5.209 1.272 -3.427 1.00 15.00 C ATOM 119 CG GLU A 373 -6.073 1.910 -2.374 1.00 15.00 C ATOM 120 CD GLU A 373 -7.538 1.608 -2.564 1.00 15.00 C ATOM 121 OE1 GLU A 373 -7.946 1.351 -3.718 1.00 15.00 O1- ATOM 122 OE2 GLU A 373 -8.284 1.592 -1.568 1.00 15.00 O ATOM 0 H GLU A 373 -4.757 3.701 -3.178 1.00 15.00 H new ATOM 0 HA GLU A 373 -3.193 1.258 -2.724 1.00 15.00 H new ATOM 0 HB2 GLU A 373 -5.650 1.429 -4.411 1.00 15.00 H new ATOM 0 HB3 GLU A 373 -5.165 0.195 -3.265 1.00 15.00 H new ATOM 0 HG2 GLU A 373 -5.758 1.561 -1.391 1.00 15.00 H new ATOM 0 HG3 GLU A 373 -5.923 2.990 -2.392 1.00 15.00 H new ATOM 129 N ARG A 374 -1.959 1.448 -4.826 1.00 15.00 N ATOM 130 CA ARG A 374 -1.181 1.706 -5.999 1.00 15.00 C ATOM 131 C ARG A 374 -0.678 0.429 -6.639 1.00 15.00 C ATOM 132 O ARG A 374 0.072 -0.341 -6.039 1.00 15.00 O ATOM 133 CB ARG A 374 -0.045 2.633 -5.616 1.00 15.00 C ATOM 134 CG ARG A 374 -0.542 3.974 -5.088 1.00 15.00 C ATOM 135 CD ARG A 374 0.574 4.731 -4.383 1.00 15.00 C ATOM 136 NE ARG A 374 1.877 4.495 -5.016 1.00 15.00 N ATOM 137 CZ ARG A 374 2.645 5.441 -5.562 1.00 15.00 C ATOM 138 NH1 ARG A 374 2.246 6.706 -5.589 1.00 15.00 N1+ ATOM 139 NH2 ARG A 374 3.816 5.112 -6.089 1.00 15.00 N ATOM 0 H ARG A 374 -1.464 0.965 -4.076 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.806 2.184 -6.753 1.00 15.00 H new ATOM 0 HB2 ARG A 374 0.572 2.153 -4.857 1.00 15.00 H new ATOM 0 HB3 ARG A 374 0.592 2.801 -6.485 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -0.928 4.573 -5.913 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -1.369 3.813 -4.397 1.00 15.00 H new ATOM 0 HD2 ARG A 374 0.353 5.798 -4.394 1.00 15.00 H new ATOM 0 HD3 ARG A 374 0.617 4.425 -3.338 1.00 15.00 H new ATOM 0 HE ARG A 374 2.222 3.535 -5.041 1.00 15.00 H new ATOM 0 HH11 ARG A 374 1.344 6.965 -5.190 1.00 15.00 H new ATOM 0 HH12 ARG A 374 2.842 7.420 -6.009 1.00 15.00 H new ATOM 0 HH21 ARG A 374 4.126 4.140 -6.076 1.00 15.00 H new ATOM 0 HH22 ARG A 374 4.407 5.830 -6.507 1.00 15.00 H new ATOM 153 N LYS A 375 -1.132 0.212 -7.857 1.00 15.00 N ATOM 154 CA LYS A 375 -0.695 -0.909 -8.654 1.00 15.00 C ATOM 155 C LYS A 375 0.451 -0.440 -9.538 1.00 15.00 C ATOM 156 O LYS A 375 0.233 0.240 -10.543 1.00 15.00 O ATOM 157 CB LYS A 375 -1.854 -1.461 -9.503 1.00 15.00 C ATOM 158 CG LYS A 375 -2.946 -2.179 -8.703 1.00 15.00 C ATOM 159 CD LYS A 375 -3.749 -1.239 -7.802 1.00 15.00 C ATOM 160 CE LYS A 375 -4.543 -0.218 -8.606 1.00 15.00 C ATOM 161 NZ LYS A 375 -5.312 0.714 -7.731 1.00 15.00 N1+ ATOM 0 H LYS A 375 -1.816 0.811 -8.320 1.00 15.00 H new ATOM 0 HA LYS A 375 -0.358 -1.719 -8.007 1.00 15.00 H new ATOM 0 HB2 LYS A 375 -2.308 -0.637 -10.054 1.00 15.00 H new ATOM 0 HB3 LYS A 375 -1.449 -2.153 -10.241 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -3.625 -2.678 -9.394 1.00 15.00 H new ATOM 0 HG3 LYS A 375 -2.488 -2.956 -8.091 1.00 15.00 H new ATOM 0 HD2 LYS A 375 -4.431 -1.824 -7.184 1.00 15.00 H new ATOM 0 HD3 LYS A 375 -3.071 -0.719 -7.125 1.00 15.00 H new ATOM 0 HE2 LYS A 375 -3.862 0.356 -9.235 1.00 15.00 H new ATOM 0 HE3 LYS A 375 -5.231 -0.738 -9.273 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 -5.769 1.442 -8.316 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 -6.039 0.182 -7.211 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 -4.665 1.168 -7.055 1.00 15.00 H new ATOM 175 N ASP A 376 1.665 -0.769 -9.137 1.00 15.00 N ATOM 176 CA ASP A 376 2.850 -0.198 -9.764 1.00 15.00 C ATOM 177 C ASP A 376 3.304 -1.064 -10.932 1.00 15.00 C ATOM 178 O ASP A 376 3.126 -2.281 -10.914 1.00 15.00 O ATOM 179 CB ASP A 376 3.969 -0.039 -8.733 1.00 15.00 C ATOM 180 CG ASP A 376 4.859 1.144 -9.052 1.00 15.00 C ATOM 181 OD1 ASP A 376 5.374 1.216 -10.188 1.00 15.00 O ATOM 182 OD2 ASP A 376 5.040 2.010 -8.167 1.00 15.00 O1- ATOM 0 H ASP A 376 1.860 -1.427 -8.382 1.00 15.00 H new ATOM 0 HA ASP A 376 2.601 0.789 -10.153 1.00 15.00 H new ATOM 0 HB2 ASP A 376 3.535 0.089 -7.741 1.00 15.00 H new ATOM 0 HB3 ASP A 376 4.569 -0.949 -8.704 1.00 15.00 H new ATOM 187 N ALA A 377 3.919 -0.421 -11.924 1.00 15.00 N ATOM 188 CA ALA A 377 4.178 -1.017 -13.243 1.00 15.00 C ATOM 189 C ALA A 377 5.043 -2.281 -13.192 1.00 15.00 C ATOM 190 O ALA A 377 5.110 -3.029 -14.166 1.00 15.00 O ATOM 191 CB ALA A 377 4.822 0.017 -14.154 1.00 15.00 C ATOM 0 H ALA A 377 4.256 0.538 -11.838 1.00 15.00 H new ATOM 0 HA ALA A 377 3.211 -1.327 -13.638 1.00 15.00 H new ATOM 0 HB1 ALA A 377 5.013 -0.427 -15.131 1.00 15.00 H new ATOM 0 HB2 ALA A 377 4.152 0.869 -14.268 1.00 15.00 H new ATOM 0 HB3 ALA A 377 5.763 0.351 -13.717 1.00 15.00 H new ATOM 197 N LYS A 378 5.704 -2.520 -12.068 1.00 15.00 N ATOM 198 CA LYS A 378 6.509 -3.732 -11.896 1.00 15.00 C ATOM 199 C LYS A 378 5.592 -4.930 -11.704 1.00 15.00 C ATOM 200 O LYS A 378 6.016 -6.082 -11.791 1.00 15.00 O ATOM 201 CB LYS A 378 7.445 -3.649 -10.682 1.00 15.00 C ATOM 202 CG LYS A 378 8.208 -2.347 -10.528 1.00 15.00 C ATOM 203 CD LYS A 378 7.311 -1.242 -10.006 1.00 15.00 C ATOM 204 CE LYS A 378 8.115 -0.073 -9.470 1.00 15.00 C ATOM 205 NZ LYS A 378 8.953 -0.458 -8.311 1.00 15.00 N1+ ATOM 0 H LYS A 378 5.702 -1.896 -11.261 1.00 15.00 H new ATOM 0 HA LYS A 378 7.118 -3.837 -12.794 1.00 15.00 H new ATOM 0 HB2 LYS A 378 6.855 -3.812 -9.780 1.00 15.00 H new ATOM 0 HB3 LYS A 378 8.165 -4.465 -10.745 1.00 15.00 H new ATOM 0 HG2 LYS A 378 9.045 -2.492 -9.845 1.00 15.00 H new ATOM 0 HG3 LYS A 378 8.628 -2.053 -11.490 1.00 15.00 H new ATOM 0 HD2 LYS A 378 6.656 -0.897 -10.806 1.00 15.00 H new ATOM 0 HD3 LYS A 378 6.670 -1.636 -9.217 1.00 15.00 H new ATOM 0 HE2 LYS A 378 8.752 0.322 -10.262 1.00 15.00 H new ATOM 0 HE3 LYS A 378 7.437 0.728 -9.176 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 9.269 0.398 -7.812 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 8.397 -1.051 -7.663 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 9.782 -0.991 -8.644 1.00 15.00 H new ATOM 219 N GLY A 379 4.335 -4.635 -11.424 1.00 15.00 N ATOM 220 CA GLY A 379 3.397 -5.643 -11.008 1.00 15.00 C ATOM 221 C GLY A 379 3.395 -5.794 -9.507 1.00 15.00 C ATOM 222 O GLY A 379 3.376 -6.903 -8.974 1.00 15.00 O ATOM 0 H GLY A 379 3.945 -3.694 -11.480 1.00 15.00 H new ATOM 0 HA2 GLY A 379 2.397 -5.378 -11.352 1.00 15.00 H new ATOM 0 HA3 GLY A 379 3.652 -6.596 -11.472 1.00 15.00 H new ATOM 226 N ARG A 380 3.428 -4.657 -8.821 1.00 15.00 N ATOM 227 CA ARG A 380 3.387 -4.640 -7.370 1.00 15.00 C ATOM 228 C ARG A 380 2.104 -3.966 -6.909 1.00 15.00 C ATOM 229 O ARG A 380 1.920 -2.764 -7.113 1.00 15.00 O ATOM 230 CB ARG A 380 4.593 -3.897 -6.783 1.00 15.00 C ATOM 231 CG ARG A 380 5.909 -4.184 -7.484 1.00 15.00 C ATOM 232 CD ARG A 380 7.074 -4.143 -6.511 1.00 15.00 C ATOM 233 NE ARG A 380 7.124 -5.332 -5.663 1.00 15.00 N ATOM 234 CZ ARG A 380 7.782 -5.401 -4.507 1.00 15.00 C ATOM 235 NH1 ARG A 380 8.310 -4.310 -3.962 1.00 15.00 N1+ ATOM 236 NH2 ARG A 380 7.885 -6.563 -3.880 1.00 15.00 N ATOM 0 H ARG A 380 3.483 -3.734 -9.252 1.00 15.00 H new ATOM 0 HA ARG A 380 3.419 -5.671 -7.017 1.00 15.00 H new ATOM 0 HB2 ARG A 380 4.399 -2.825 -6.825 1.00 15.00 H new ATOM 0 HB3 ARG A 380 4.691 -4.163 -5.730 1.00 15.00 H new ATOM 0 HG2 ARG A 380 5.864 -5.164 -7.959 1.00 15.00 H new ATOM 0 HG3 ARG A 380 6.068 -3.452 -8.276 1.00 15.00 H new ATOM 0 HD2 ARG A 380 8.007 -4.055 -7.067 1.00 15.00 H new ATOM 0 HD3 ARG A 380 6.992 -3.255 -5.885 1.00 15.00 H new ATOM 0 HE ARG A 380 6.622 -6.163 -5.977 1.00 15.00 H new ATOM 0 HH11 ARG A 380 8.213 -3.409 -4.429 1.00 15.00 H new ATOM 0 HH12 ARG A 380 8.812 -4.374 -3.076 1.00 15.00 H new ATOM 0 HH21 ARG A 380 7.462 -7.399 -4.283 1.00 15.00 H new ATOM 0 HH22 ARG A 380 8.388 -6.622 -2.994 1.00 15.00 H new ATOM 250 N THR A 381 1.204 -4.738 -6.327 1.00 15.00 N ATOM 251 CA THR A 381 -0.042 -4.191 -5.823 1.00 15.00 C ATOM 252 C THR A 381 0.069 -3.917 -4.328 1.00 15.00 C ATOM 253 O THR A 381 -0.221 -4.786 -3.508 1.00 15.00 O ATOM 254 CB THR A 381 -1.222 -5.152 -6.090 1.00 15.00 C ATOM 255 OG1 THR A 381 -0.941 -6.447 -5.537 1.00 15.00 O ATOM 256 CG2 THR A 381 -1.485 -5.287 -7.582 1.00 15.00 C ATOM 0 H THR A 381 1.312 -5.743 -6.192 1.00 15.00 H new ATOM 0 HA THR A 381 -0.234 -3.256 -6.349 1.00 15.00 H new ATOM 0 HB THR A 381 -2.109 -4.736 -5.613 1.00 15.00 H new ATOM 0 HG1 THR A 381 -0.601 -6.346 -4.623 1.00 15.00 H new ATOM 0 HG21 THR A 381 -2.320 -5.969 -7.744 1.00 15.00 H new ATOM 0 HG22 THR A 381 -1.728 -4.310 -7.998 1.00 15.00 H new ATOM 0 HG23 THR A 381 -0.595 -5.680 -8.074 1.00 15.00 H new ATOM 264 N TYR A 382 0.503 -2.716 -3.974 1.00 15.00 N ATOM 265 CA TYR A 382 0.687 -2.376 -2.575 1.00 15.00 C ATOM 266 C TYR A 382 -0.319 -1.315 -2.132 1.00 15.00 C ATOM 267 O TYR A 382 -0.471 -0.264 -2.763 1.00 15.00 O ATOM 268 CB TYR A 382 2.139 -1.938 -2.297 1.00 15.00 C ATOM 269 CG TYR A 382 2.671 -0.813 -3.171 1.00 15.00 C ATOM 270 CD1 TYR A 382 2.375 0.516 -2.894 1.00 15.00 C ATOM 271 CD2 TYR A 382 3.492 -1.085 -4.260 1.00 15.00 C ATOM 272 CE1 TYR A 382 2.874 1.540 -3.678 1.00 15.00 C ATOM 273 CE2 TYR A 382 3.997 -0.067 -5.046 1.00 15.00 C ATOM 274 CZ TYR A 382 3.686 1.244 -4.753 1.00 15.00 C ATOM 275 OH TYR A 382 4.181 2.266 -5.538 1.00 15.00 O ATOM 0 H TYR A 382 0.732 -1.969 -4.630 1.00 15.00 H new ATOM 0 HA TYR A 382 0.499 -3.271 -1.982 1.00 15.00 H new ATOM 0 HB2 TYR A 382 2.211 -1.628 -1.255 1.00 15.00 H new ATOM 0 HB3 TYR A 382 2.789 -2.805 -2.418 1.00 15.00 H new ATOM 0 HD1 TYR A 382 1.743 0.754 -2.051 1.00 15.00 H new ATOM 0 HD2 TYR A 382 3.739 -2.110 -4.495 1.00 15.00 H new ATOM 0 HE1 TYR A 382 2.629 2.567 -3.450 1.00 15.00 H new ATOM 0 HE2 TYR A 382 4.634 -0.297 -5.887 1.00 15.00 H new ATOM 0 HH TYR A 382 4.399 1.919 -6.428 1.00 15.00 H new ATOM 285 N TYR A 383 -1.029 -1.621 -1.060 1.00 15.00 N ATOM 286 CA TYR A 383 -1.990 -0.699 -0.477 1.00 15.00 C ATOM 287 C TYR A 383 -1.360 -0.022 0.733 1.00 15.00 C ATOM 288 O TYR A 383 -1.044 -0.689 1.717 1.00 15.00 O ATOM 289 CB TYR A 383 -3.259 -1.450 -0.055 1.00 15.00 C ATOM 290 CG TYR A 383 -3.922 -2.233 -1.170 1.00 15.00 C ATOM 291 CD1 TYR A 383 -3.429 -3.471 -1.568 1.00 15.00 C ATOM 292 CD2 TYR A 383 -5.042 -1.737 -1.822 1.00 15.00 C ATOM 293 CE1 TYR A 383 -4.032 -4.187 -2.582 1.00 15.00 C ATOM 294 CE2 TYR A 383 -5.649 -2.449 -2.837 1.00 15.00 C ATOM 295 CZ TYR A 383 -5.142 -3.673 -3.213 1.00 15.00 C ATOM 296 OH TYR A 383 -5.747 -4.380 -4.227 1.00 15.00 O ATOM 0 H TYR A 383 -0.957 -2.513 -0.570 1.00 15.00 H new ATOM 0 HA TYR A 383 -2.264 0.053 -1.217 1.00 15.00 H new ATOM 0 HB2 TYR A 383 -3.009 -2.135 0.755 1.00 15.00 H new ATOM 0 HB3 TYR A 383 -3.976 -0.732 0.345 1.00 15.00 H new ATOM 0 HD1 TYR A 383 -2.559 -3.879 -1.075 1.00 15.00 H new ATOM 0 HD2 TYR A 383 -5.445 -0.778 -1.531 1.00 15.00 H new ATOM 0 HE1 TYR A 383 -3.635 -5.146 -2.879 1.00 15.00 H new ATOM 0 HE2 TYR A 383 -6.519 -2.047 -3.335 1.00 15.00 H new ATOM 0 HH TYR A 383 -6.517 -3.876 -4.563 1.00 15.00 H new ATOM 306 N VAL A 384 -1.145 1.286 0.655 1.00 15.00 N ATOM 307 CA VAL A 384 -0.479 2.000 1.737 1.00 15.00 C ATOM 308 C VAL A 384 -1.451 2.891 2.505 1.00 15.00 C ATOM 309 O VAL A 384 -2.296 3.565 1.920 1.00 15.00 O ATOM 310 CB VAL A 384 0.712 2.845 1.232 1.00 15.00 C ATOM 311 CG1 VAL A 384 1.750 1.963 0.563 1.00 15.00 C ATOM 312 CG2 VAL A 384 0.251 3.923 0.275 1.00 15.00 C ATOM 0 H VAL A 384 -1.419 1.868 -0.137 1.00 15.00 H new ATOM 0 HA VAL A 384 -0.094 1.236 2.412 1.00 15.00 H new ATOM 0 HB VAL A 384 1.166 3.327 2.098 1.00 15.00 H new ATOM 0 HG11 VAL A 384 2.580 2.578 0.215 1.00 15.00 H new ATOM 0 HG12 VAL A 384 2.118 1.228 1.278 1.00 15.00 H new ATOM 0 HG13 VAL A 384 1.298 1.449 -0.285 1.00 15.00 H new ATOM 0 HG21 VAL A 384 1.111 4.501 -0.063 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -0.237 3.463 -0.584 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -0.453 4.583 0.782 1.00 15.00 H new ATOM 322 N ASN A 385 -1.319 2.876 3.819 1.00 15.00 N ATOM 323 CA ASN A 385 -2.183 3.644 4.704 1.00 15.00 C ATOM 324 C ASN A 385 -1.414 4.782 5.361 1.00 15.00 C ATOM 325 O ASN A 385 -0.421 4.548 6.053 1.00 15.00 O ATOM 326 CB ASN A 385 -2.764 2.727 5.781 1.00 15.00 C ATOM 327 CG ASN A 385 -3.633 3.465 6.783 1.00 15.00 C ATOM 328 OD1 ASN A 385 -4.222 4.500 6.478 1.00 15.00 O ATOM 329 ND2 ASN A 385 -3.714 2.939 7.994 1.00 15.00 N ATOM 0 H ASN A 385 -0.608 2.330 4.306 1.00 15.00 H new ATOM 0 HA ASN A 385 -2.991 4.071 4.110 1.00 15.00 H new ATOM 0 HB2 ASN A 385 -3.354 1.944 5.304 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -1.948 2.234 6.310 1.00 15.00 H new ATOM 0 HD21 ASN A 385 -4.279 3.394 8.711 1.00 15.00 H new ATOM 0 HD22 ASN A 385 -3.211 2.078 8.211 1.00 15.00 H new ATOM 336 N HIS A 386 -1.894 6.006 5.151 1.00 15.00 N ATOM 337 CA HIS A 386 -1.278 7.201 5.730 1.00 15.00 C ATOM 338 C HIS A 386 -1.597 7.329 7.217 1.00 15.00 C ATOM 339 O HIS A 386 -0.941 8.086 7.931 1.00 15.00 O ATOM 340 CB HIS A 386 -1.775 8.473 5.030 1.00 15.00 C ATOM 341 CG HIS A 386 -1.192 8.731 3.676 1.00 15.00 C ATOM 342 ND1 HIS A 386 -0.190 9.649 3.462 1.00 15.00 N ATOM 343 CD2 HIS A 386 -1.517 8.239 2.459 1.00 15.00 C ATOM 344 CE1 HIS A 386 0.077 9.715 2.173 1.00 15.00 C ATOM 345 NE2 HIS A 386 -0.715 8.870 1.536 1.00 15.00 N ATOM 0 H HIS A 386 -2.716 6.198 4.578 1.00 15.00 H new ATOM 0 HA HIS A 386 -0.202 7.092 5.592 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -2.859 8.415 4.935 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -1.557 9.328 5.670 1.00 15.00 H new ATOM 0 HD1 HIS A 386 0.274 10.194 4.188 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -2.267 7.490 2.250 1.00 15.00 H new ATOM 0 HE1 HIS A 386 0.818 10.352 1.714 1.00 15.00 H new ATOM 354 N ASN A 387 -2.629 6.621 7.668 1.00 15.00 N ATOM 355 CA ASN A 387 -3.116 6.775 9.037 1.00 15.00 C ATOM 356 C ASN A 387 -2.071 6.330 10.061 1.00 15.00 C ATOM 357 O ASN A 387 -1.565 7.140 10.837 1.00 15.00 O ATOM 358 CB ASN A 387 -4.423 6.004 9.245 1.00 15.00 C ATOM 359 CG ASN A 387 -5.011 6.231 10.625 1.00 15.00 C ATOM 360 OD1 ASN A 387 -4.824 7.289 11.227 1.00 15.00 O ATOM 361 ND2 ASN A 387 -5.730 5.244 11.128 1.00 15.00 N ATOM 0 H ASN A 387 -3.142 5.939 7.110 1.00 15.00 H new ATOM 0 HA ASN A 387 -3.309 7.837 9.192 1.00 15.00 H new ATOM 0 HB2 ASN A 387 -5.147 6.309 8.489 1.00 15.00 H new ATOM 0 HB3 ASN A 387 -4.241 4.939 9.100 1.00 15.00 H new ATOM 0 HD21 ASN A 387 -6.156 5.342 12.050 1.00 15.00 H new ATOM 0 HD22 ASN A 387 -5.859 4.384 10.595 1.00 15.00 H new ATOM 368 N ASN A 388 -1.745 5.046 10.060 1.00 15.00 N ATOM 369 CA ASN A 388 -0.770 4.504 11.005 1.00 15.00 C ATOM 370 C ASN A 388 0.581 4.274 10.336 1.00 15.00 C ATOM 371 O ASN A 388 1.579 4.044 11.016 1.00 15.00 O ATOM 372 CB ASN A 388 -1.269 3.209 11.665 1.00 15.00 C ATOM 373 CG ASN A 388 -1.813 2.191 10.681 1.00 15.00 C ATOM 374 OD1 ASN A 388 -1.490 2.211 9.494 1.00 15.00 O ATOM 375 ND2 ASN A 388 -2.634 1.278 11.176 1.00 15.00 N ATOM 0 H ASN A 388 -2.139 4.358 9.418 1.00 15.00 H new ATOM 0 HA ASN A 388 -0.643 5.250 11.790 1.00 15.00 H new ATOM 0 HB2 ASN A 388 -0.449 2.758 12.224 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -2.048 3.456 12.386 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -3.022 0.558 10.567 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -2.878 1.295 12.166 1.00 15.00 H new ATOM 382 N ARG A 389 0.574 4.302 9.000 1.00 15.00 N ATOM 383 CA ARG A 389 1.772 4.093 8.180 1.00 15.00 C ATOM 384 C ARG A 389 2.095 2.610 8.041 1.00 15.00 C ATOM 385 O ARG A 389 3.046 2.103 8.636 1.00 15.00 O ATOM 386 CB ARG A 389 2.991 4.873 8.694 1.00 15.00 C ATOM 387 CG ARG A 389 2.808 6.382 8.671 1.00 15.00 C ATOM 388 CD ARG A 389 4.072 7.102 9.104 1.00 15.00 C ATOM 389 NE ARG A 389 4.466 6.763 10.473 1.00 15.00 N ATOM 390 CZ ARG A 389 5.669 6.295 10.806 1.00 15.00 C ATOM 391 NH1 ARG A 389 6.568 6.028 9.862 1.00 15.00 N1+ ATOM 392 NH2 ARG A 389 5.971 6.079 12.079 1.00 15.00 N ATOM 0 H ARG A 389 -0.270 4.472 8.452 1.00 15.00 H new ATOM 0 HA ARG A 389 1.539 4.490 7.192 1.00 15.00 H new ATOM 0 HB2 ARG A 389 3.208 4.558 9.715 1.00 15.00 H new ATOM 0 HB3 ARG A 389 3.859 4.612 8.089 1.00 15.00 H new ATOM 0 HG2 ARG A 389 2.533 6.701 7.666 1.00 15.00 H new ATOM 0 HG3 ARG A 389 1.986 6.660 9.330 1.00 15.00 H new ATOM 0 HD2 ARG A 389 4.883 6.848 8.422 1.00 15.00 H new ATOM 0 HD3 ARG A 389 3.918 8.178 9.029 1.00 15.00 H new ATOM 0 HE ARG A 389 3.779 6.893 11.216 1.00 15.00 H new ATOM 0 HH11 ARG A 389 6.338 6.181 8.880 1.00 15.00 H new ATOM 0 HH12 ARG A 389 7.488 5.670 10.120 1.00 15.00 H new ATOM 0 HH21 ARG A 389 5.282 6.271 12.806 1.00 15.00 H new ATOM 0 HH22 ARG A 389 6.892 5.721 12.331 1.00 15.00 H new ATOM 406 N THR A 390 1.255 1.912 7.296 1.00 15.00 N ATOM 407 CA THR A 390 1.464 0.498 7.018 1.00 15.00 C ATOM 408 C THR A 390 0.964 0.171 5.619 1.00 15.00 C ATOM 409 O THR A 390 0.055 0.825 5.115 1.00 15.00 O ATOM 410 CB THR A 390 0.763 -0.426 8.045 1.00 15.00 C ATOM 411 OG1 THR A 390 1.141 -1.790 7.812 1.00 15.00 O ATOM 412 CG2 THR A 390 -0.752 -0.307 7.958 1.00 15.00 C ATOM 0 H THR A 390 0.415 2.303 6.869 1.00 15.00 H new ATOM 0 HA THR A 390 2.535 0.313 7.094 1.00 15.00 H new ATOM 0 HB THR A 390 1.078 -0.114 9.041 1.00 15.00 H new ATOM 0 HG1 THR A 390 0.696 -2.369 8.466 1.00 15.00 H new ATOM 0 HG21 THR A 390 -1.212 -0.969 8.692 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.048 0.722 8.161 1.00 15.00 H new ATOM 0 HG23 THR A 390 -1.082 -0.589 6.958 1.00 15.00 H new ATOM 420 N THR A 391 1.574 -0.809 4.982 1.00 15.00 N ATOM 421 CA THR A 391 1.175 -1.200 3.646 1.00 15.00 C ATOM 422 C THR A 391 1.063 -2.720 3.538 1.00 15.00 C ATOM 423 O THR A 391 1.867 -3.455 4.109 1.00 15.00 O ATOM 424 CB THR A 391 2.146 -0.641 2.581 1.00 15.00 C ATOM 425 OG1 THR A 391 1.860 -1.206 1.294 1.00 15.00 O ATOM 426 CG2 THR A 391 3.597 -0.898 2.957 1.00 15.00 C ATOM 0 H THR A 391 2.348 -1.349 5.369 1.00 15.00 H new ATOM 0 HA THR A 391 0.192 -0.770 3.453 1.00 15.00 H new ATOM 0 HB THR A 391 1.998 0.438 2.536 1.00 15.00 H new ATOM 0 HG1 THR A 391 0.890 -1.265 1.171 1.00 15.00 H new ATOM 0 HG21 THR A 391 4.250 -0.491 2.185 1.00 15.00 H new ATOM 0 HG22 THR A 391 3.817 -0.416 3.910 1.00 15.00 H new ATOM 0 HG23 THR A 391 3.765 -1.971 3.046 1.00 15.00 H new ATOM 434 N THR A 392 0.045 -3.175 2.821 1.00 15.00 N ATOM 435 CA THR A 392 -0.248 -4.594 2.705 1.00 15.00 C ATOM 436 C THR A 392 -0.559 -4.963 1.254 1.00 15.00 C ATOM 437 O THR A 392 -1.024 -4.124 0.478 1.00 15.00 O ATOM 438 CB THR A 392 -1.430 -5.001 3.618 1.00 15.00 C ATOM 439 OG1 THR A 392 -1.643 -6.419 3.559 1.00 15.00 O ATOM 440 CG2 THR A 392 -2.710 -4.273 3.227 1.00 15.00 C ATOM 0 H THR A 392 -0.598 -2.573 2.306 1.00 15.00 H new ATOM 0 HA THR A 392 0.638 -5.140 3.028 1.00 15.00 H new ATOM 0 HB THR A 392 -1.171 -4.717 4.638 1.00 15.00 H new ATOM 0 HG1 THR A 392 -2.586 -6.600 3.363 1.00 15.00 H new ATOM 0 HG21 THR A 392 -3.520 -4.581 3.888 1.00 15.00 H new ATOM 0 HG22 THR A 392 -2.559 -3.197 3.316 1.00 15.00 H new ATOM 0 HG23 THR A 392 -2.968 -4.519 2.197 1.00 15.00 H new ATOM 448 N TRP A 393 -0.250 -6.203 0.882 1.00 15.00 N ATOM 449 CA TRP A 393 -0.536 -6.699 -0.462 1.00 15.00 C ATOM 450 C TRP A 393 -2.023 -7.007 -0.632 1.00 15.00 C ATOM 451 O TRP A 393 -2.515 -7.138 -1.754 1.00 15.00 O ATOM 452 CB TRP A 393 0.249 -7.981 -0.752 1.00 15.00 C ATOM 453 CG TRP A 393 1.742 -7.845 -0.690 1.00 15.00 C ATOM 454 CD1 TRP A 393 2.590 -8.500 0.158 1.00 15.00 C ATOM 455 CD2 TRP A 393 2.565 -7.020 -1.519 1.00 15.00 C ATOM 456 NE1 TRP A 393 3.885 -8.136 -0.103 1.00 15.00 N ATOM 457 CE2 TRP A 393 3.895 -7.220 -1.117 1.00 15.00 C ATOM 458 CE3 TRP A 393 2.305 -6.131 -2.556 1.00 15.00 C ATOM 459 CZ2 TRP A 393 4.962 -6.564 -1.715 1.00 15.00 C ATOM 460 CZ3 TRP A 393 3.365 -5.475 -3.156 1.00 15.00 C ATOM 461 CH2 TRP A 393 4.682 -5.693 -2.731 1.00 15.00 C ATOM 0 H TRP A 393 0.199 -6.884 1.494 1.00 15.00 H new ATOM 0 HA TRP A 393 -0.239 -5.914 -1.157 1.00 15.00 H new ATOM 0 HB2 TRP A 393 -0.060 -8.746 -0.039 1.00 15.00 H new ATOM 0 HB3 TRP A 393 -0.026 -8.340 -1.744 1.00 15.00 H new ATOM 0 HD1 TRP A 393 2.285 -9.201 0.921 1.00 15.00 H new ATOM 0 HE1 TRP A 393 4.709 -8.492 0.382 1.00 15.00 H new ATOM 0 HE3 TRP A 393 1.292 -5.955 -2.888 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 5.977 -6.735 -1.389 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 3.174 -4.784 -3.964 1.00 15.00 H new ATOM 0 HH2 TRP A 393 5.490 -5.164 -3.214 1.00 15.00 H new ATOM 472 N THR A 394 -2.723 -7.146 0.484 1.00 15.00 N ATOM 473 CA THR A 394 -4.103 -7.604 0.467 1.00 15.00 C ATOM 474 C THR A 394 -5.084 -6.441 0.377 1.00 15.00 C ATOM 475 O THR A 394 -4.798 -5.334 0.835 1.00 15.00 O ATOM 476 CB THR A 394 -4.420 -8.453 1.714 1.00 15.00 C ATOM 477 OG1 THR A 394 -4.096 -7.729 2.912 1.00 15.00 O ATOM 478 CG2 THR A 394 -3.648 -9.765 1.688 1.00 15.00 C ATOM 0 H THR A 394 -2.356 -6.947 1.415 1.00 15.00 H new ATOM 0 HA THR A 394 -4.220 -8.221 -0.424 1.00 15.00 H new ATOM 0 HB THR A 394 -5.488 -8.673 1.705 1.00 15.00 H new ATOM 0 HG1 THR A 394 -4.305 -8.281 3.694 1.00 15.00 H new ATOM 0 HG21 THR A 394 -3.888 -10.346 2.578 1.00 15.00 H new ATOM 0 HG22 THR A 394 -3.924 -10.332 0.799 1.00 15.00 H new ATOM 0 HG23 THR A 394 -2.578 -9.557 1.668 1.00 15.00 H new ATOM 486 N ARG A 395 -6.233 -6.692 -0.239 1.00 15.00 N ATOM 487 CA ARG A 395 -7.275 -5.687 -0.362 1.00 15.00 C ATOM 488 C ARG A 395 -7.974 -5.472 0.978 1.00 15.00 C ATOM 489 O ARG A 395 -8.585 -6.394 1.522 1.00 15.00 O ATOM 490 CB ARG A 395 -8.307 -6.102 -1.417 1.00 15.00 C ATOM 491 CG ARG A 395 -9.434 -5.094 -1.583 1.00 15.00 C ATOM 492 CD ARG A 395 -8.910 -3.776 -2.117 1.00 15.00 C ATOM 493 NE ARG A 395 -9.676 -2.633 -1.627 1.00 15.00 N ATOM 494 CZ ARG A 395 -9.479 -1.385 -2.046 1.00 15.00 C ATOM 495 NH1 ARG A 395 -8.664 -1.148 -3.067 1.00 15.00 N1+ ATOM 496 NH2 ARG A 395 -10.116 -0.376 -1.471 1.00 15.00 N ATOM 0 H ARG A 395 -6.465 -7.590 -0.663 1.00 15.00 H new ATOM 0 HA ARG A 395 -6.805 -4.754 -0.673 1.00 15.00 H new ATOM 0 HB2 ARG A 395 -7.804 -6.236 -2.375 1.00 15.00 H new ATOM 0 HB3 ARG A 395 -8.730 -7.068 -1.142 1.00 15.00 H new ATOM 0 HG2 ARG A 395 -10.186 -5.493 -2.264 1.00 15.00 H new ATOM 0 HG3 ARG A 395 -9.926 -4.932 -0.624 1.00 15.00 H new ATOM 0 HD2 ARG A 395 -7.865 -3.660 -1.829 1.00 15.00 H new ATOM 0 HD3 ARG A 395 -8.941 -3.790 -3.206 1.00 15.00 H new ATOM 0 HE ARG A 395 -10.399 -2.800 -0.927 1.00 15.00 H new ATOM 0 HH11 ARG A 395 -8.189 -1.922 -3.531 1.00 15.00 H new ATOM 0 HH12 ARG A 395 -8.513 -0.192 -3.388 1.00 15.00 H new ATOM 0 HH21 ARG A 395 -10.762 -0.553 -0.702 1.00 15.00 H new ATOM 0 HH22 ARG A 395 -9.960 0.578 -1.797 1.00 15.00 H new ATOM 510 N PRO A 396 -7.881 -4.256 1.528 1.00 15.00 N ATOM 511 CA PRO A 396 -8.583 -3.896 2.757 1.00 15.00 C ATOM 512 C PRO A 396 -10.076 -3.695 2.514 1.00 15.00 C ATOM 513 O PRO A 396 -10.477 -2.904 1.655 1.00 15.00 O ATOM 514 CB PRO A 396 -7.921 -2.580 3.169 1.00 15.00 C ATOM 515 CG PRO A 396 -7.442 -1.983 1.892 1.00 15.00 C ATOM 516 CD PRO A 396 -7.067 -3.140 1.007 1.00 15.00 C ATOM 0 HA PRO A 396 -8.515 -4.673 3.519 1.00 15.00 H new ATOM 0 HB2 PRO A 396 -8.628 -1.922 3.673 1.00 15.00 H new ATOM 0 HB3 PRO A 396 -7.096 -2.751 3.860 1.00 15.00 H new ATOM 0 HG2 PRO A 396 -8.220 -1.375 1.430 1.00 15.00 H new ATOM 0 HG3 PRO A 396 -6.586 -1.330 2.064 1.00 15.00 H new ATOM 0 HD2 PRO A 396 -7.293 -2.934 -0.039 1.00 15.00 H new ATOM 0 HD3 PRO A 396 -6.001 -3.360 1.066 1.00 15.00 H new ATOM 524 N ILE A 397 -10.893 -4.444 3.237 1.00 15.00 N ATOM 525 CA ILE A 397 -12.336 -4.287 3.150 1.00 15.00 C ATOM 526 C ILE A 397 -12.812 -3.264 4.183 1.00 15.00 C ATOM 527 O ILE A 397 -13.278 -2.178 3.829 1.00 15.00 O ATOM 528 CB ILE A 397 -13.078 -5.635 3.338 1.00 15.00 C ATOM 529 CG1 ILE A 397 -12.608 -6.648 2.287 1.00 15.00 C ATOM 530 CG2 ILE A 397 -14.586 -5.429 3.241 1.00 15.00 C ATOM 531 CD1 ILE A 397 -13.209 -8.027 2.460 1.00 15.00 C ATOM 0 H ILE A 397 -10.583 -5.165 3.889 1.00 15.00 H new ATOM 0 HA ILE A 397 -12.573 -3.926 2.149 1.00 15.00 H new ATOM 0 HB ILE A 397 -12.846 -6.027 4.328 1.00 15.00 H new ATOM 0 HG12 ILE A 397 -12.861 -6.273 1.295 1.00 15.00 H new ATOM 0 HG13 ILE A 397 -11.522 -6.727 2.331 1.00 15.00 H new ATOM 0 HG21 ILE A 397 -15.093 -6.384 3.375 1.00 15.00 H new ATOM 0 HG22 ILE A 397 -14.909 -4.735 4.017 1.00 15.00 H new ATOM 0 HG23 ILE A 397 -14.835 -5.020 2.262 1.00 15.00 H new ATOM 0 HD11 ILE A 397 -12.831 -8.689 1.681 1.00 15.00 H new ATOM 0 HD12 ILE A 397 -12.935 -8.423 3.438 1.00 15.00 H new ATOM 0 HD13 ILE A 397 -14.295 -7.963 2.386 1.00 15.00 H new ATOM 543 N GLY A 398 -12.689 -3.616 5.459 1.00 15.00 N ATOM 544 CA GLY A 398 -13.038 -2.702 6.524 1.00 15.00 C ATOM 545 C GLY A 398 -11.852 -1.864 6.944 1.00 15.00 C ATOM 546 O GLY A 398 -10.710 -2.361 6.822 1.00 15.00 O ATOM 547 OXT GLY A 398 -12.049 -0.727 7.420 1.00 15.00 O ATOM 0 H GLY A 398 -12.351 -4.526 5.773 1.00 15.00 H new ATOM 0 HA2 GLY A 398 -13.847 -2.050 6.195 1.00 15.00 H new ATOM 0 HA3 GLY A 398 -13.409 -3.264 7.381 1.00 15.00 H new TER 551 GLY A 398 ATOM 552 N GLU B 203 -0.260 -12.592 -4.331 1.00 15.00 N ATOM 553 CA GLU B 203 0.958 -11.831 -4.693 1.00 15.00 C ATOM 554 C GLU B 203 2.211 -12.694 -4.556 1.00 15.00 C ATOM 555 O GLU B 203 3.052 -12.706 -5.455 1.00 15.00 O ATOM 556 CB GLU B 203 1.093 -10.553 -3.835 1.00 15.00 C ATOM 557 CG GLU B 203 1.271 -10.790 -2.337 1.00 15.00 C ATOM 558 CD GLU B 203 0.157 -11.614 -1.723 1.00 15.00 C ATOM 559 OE1 GLU B 203 0.272 -12.860 -1.735 1.00 15.00 O ATOM 560 OE2 GLU B 203 -0.849 -11.032 -1.285 1.00 15.00 O1- ATOM 0 HA GLU B 203 0.858 -11.535 -5.737 1.00 15.00 H new ATOM 0 HB2 GLU B 203 1.945 -9.979 -4.199 1.00 15.00 H new ATOM 0 HB3 GLU B 203 0.206 -9.938 -3.986 1.00 15.00 H new ATOM 0 HG2 GLU B 203 2.222 -11.294 -2.167 1.00 15.00 H new ATOM 0 HG3 GLU B 203 1.324 -9.828 -1.828 1.00 15.00 H new ATOM 569 N LEU B 204 2.335 -13.401 -3.425 1.00 15.00 N ATOM 570 CA LEU B 204 3.514 -14.223 -3.137 1.00 15.00 C ATOM 571 C LEU B 204 4.777 -13.364 -3.136 1.00 15.00 C ATOM 572 O LEU B 204 5.893 -13.863 -3.290 1.00 15.00 O ATOM 573 CB LEU B 204 3.630 -15.368 -4.151 1.00 15.00 C ATOM 574 CG LEU B 204 2.470 -16.366 -4.126 1.00 15.00 C ATOM 575 CD1 LEU B 204 2.670 -17.443 -5.178 1.00 15.00 C ATOM 576 CD2 LEU B 204 2.329 -16.990 -2.745 1.00 15.00 C ATOM 0 H LEU B 204 1.627 -13.419 -2.691 1.00 15.00 H new ATOM 0 HA LEU B 204 3.400 -14.659 -2.145 1.00 15.00 H new ATOM 0 HB2 LEU B 204 3.703 -14.942 -5.152 1.00 15.00 H new ATOM 0 HB3 LEU B 204 4.559 -15.907 -3.965 1.00 15.00 H new ATOM 0 HG LEU B 204 1.551 -15.827 -4.355 1.00 15.00 H new ATOM 0 HD11 LEU B 204 1.835 -18.143 -5.145 1.00 15.00 H new ATOM 0 HD12 LEU B 204 2.719 -16.983 -6.165 1.00 15.00 H new ATOM 0 HD13 LEU B 204 3.599 -17.977 -4.980 1.00 15.00 H new ATOM 0 HD21 LEU B 204 1.499 -17.696 -2.748 1.00 15.00 H new ATOM 0 HD22 LEU B 204 3.250 -17.513 -2.486 1.00 15.00 H new ATOM 0 HD23 LEU B 204 2.137 -16.208 -2.010 1.00 15.00 H new ATOM 588 N GLU B 205 4.583 -12.073 -2.903 1.00 15.00 N ATOM 589 CA GLU B 205 5.659 -11.096 -2.929 1.00 15.00 C ATOM 590 C GLU B 205 6.246 -10.894 -1.542 1.00 15.00 C ATOM 591 O GLU B 205 5.546 -11.039 -0.538 1.00 15.00 O ATOM 592 CB GLU B 205 5.121 -9.765 -3.453 1.00 15.00 C ATOM 593 CG GLU B 205 5.034 -9.699 -4.965 1.00 15.00 C ATOM 594 CD GLU B 205 6.398 -9.553 -5.598 1.00 15.00 C ATOM 595 OE1 GLU B 205 7.062 -10.582 -5.840 1.00 15.00 O1- ATOM 596 OE2 GLU B 205 6.823 -8.402 -5.828 1.00 15.00 O ATOM 0 H GLU B 205 3.669 -11.674 -2.690 1.00 15.00 H new ATOM 0 HA GLU B 205 6.447 -11.466 -3.585 1.00 15.00 H new ATOM 0 HB2 GLU B 205 4.130 -9.592 -3.032 1.00 15.00 H new ATOM 0 HB3 GLU B 205 5.763 -8.958 -3.099 1.00 15.00 H new ATOM 0 HG2 GLU B 205 4.553 -10.602 -5.341 1.00 15.00 H new ATOM 0 HG3 GLU B 205 4.406 -8.858 -5.257 1.00 15.00 H new ATOM 603 N SER B 206 7.528 -10.550 -1.499 1.00 15.00 N ATOM 604 CA SER B 206 8.184 -10.183 -0.255 1.00 15.00 C ATOM 605 C SER B 206 7.452 -9.000 0.381 1.00 15.00 C ATOM 606 O SER B 206 6.942 -8.142 -0.335 1.00 15.00 O ATOM 607 CB SER B 206 9.642 -9.820 -0.535 1.00 15.00 C ATOM 608 OG SER B 206 10.337 -10.919 -1.106 1.00 15.00 O ATOM 0 H SER B 206 8.135 -10.518 -2.318 1.00 15.00 H new ATOM 0 HA SER B 206 8.157 -11.025 0.437 1.00 15.00 H new ATOM 0 HB2 SER B 206 9.685 -8.966 -1.211 1.00 15.00 H new ATOM 0 HB3 SER B 206 10.130 -9.518 0.392 1.00 15.00 H new ATOM 0 HG SER B 206 11.267 -10.664 -1.278 1.00 15.00 H new ATOM 614 N PRO B 207 7.420 -8.925 1.723 1.00 15.00 N ATOM 615 CA PRO B 207 6.631 -7.916 2.454 1.00 15.00 C ATOM 616 C PRO B 207 6.837 -6.492 1.930 1.00 15.00 C ATOM 617 O PRO B 207 7.964 -6.100 1.609 1.00 15.00 O ATOM 618 CB PRO B 207 7.163 -8.040 3.877 1.00 15.00 C ATOM 619 CG PRO B 207 7.561 -9.465 3.983 1.00 15.00 C ATOM 620 CD PRO B 207 8.137 -9.824 2.647 1.00 15.00 C ATOM 0 HA PRO B 207 5.560 -8.089 2.353 1.00 15.00 H new ATOM 0 HB2 PRO B 207 8.009 -7.375 4.047 1.00 15.00 H new ATOM 0 HB3 PRO B 207 6.401 -7.782 4.613 1.00 15.00 H new ATOM 0 HG2 PRO B 207 8.294 -9.609 4.777 1.00 15.00 H new ATOM 0 HG3 PRO B 207 6.704 -10.094 4.222 1.00 15.00 H new ATOM 0 HD2 PRO B 207 9.214 -9.660 2.615 1.00 15.00 H new ATOM 0 HD3 PRO B 207 7.967 -10.873 2.403 1.00 15.00 H new ATOM 628 N PRO B 208 5.742 -5.702 1.843 1.00 15.00 N ATOM 629 CA PRO B 208 5.773 -4.341 1.287 1.00 15.00 C ATOM 630 C PRO B 208 6.864 -3.460 1.887 1.00 15.00 C ATOM 631 O PRO B 208 7.190 -3.565 3.074 1.00 15.00 O ATOM 632 CB PRO B 208 4.399 -3.785 1.645 1.00 15.00 C ATOM 633 CG PRO B 208 3.525 -4.974 1.713 1.00 15.00 C ATOM 634 CD PRO B 208 4.376 -6.069 2.279 1.00 15.00 C ATOM 0 HA PRO B 208 5.992 -4.359 0.219 1.00 15.00 H new ATOM 0 HB2 PRO B 208 4.421 -3.254 2.597 1.00 15.00 H new ATOM 0 HB3 PRO B 208 4.049 -3.078 0.893 1.00 15.00 H new ATOM 0 HG2 PRO B 208 2.657 -4.786 2.345 1.00 15.00 H new ATOM 0 HG3 PRO B 208 3.149 -5.241 0.725 1.00 15.00 H new ATOM 0 HD2 PRO B 208 4.300 -6.116 3.365 1.00 15.00 H new ATOM 0 HD3 PRO B 208 4.081 -7.046 1.896 1.00 15.00 H new ATOM 642 N PRO B 209 7.402 -2.554 1.059 1.00 15.00 N ATOM 643 CA PRO B 209 8.477 -1.630 1.446 1.00 15.00 C ATOM 644 C PRO B 209 8.084 -0.736 2.626 1.00 15.00 C ATOM 645 O PRO B 209 6.949 -0.261 2.697 1.00 15.00 O ATOM 646 CB PRO B 209 8.677 -0.779 0.184 1.00 15.00 C ATOM 647 CG PRO B 209 8.134 -1.605 -0.927 1.00 15.00 C ATOM 648 CD PRO B 209 6.983 -2.352 -0.337 1.00 15.00 C ATOM 0 HA PRO B 209 9.371 -2.161 1.774 1.00 15.00 H new ATOM 0 HB2 PRO B 209 8.151 0.172 0.262 1.00 15.00 H new ATOM 0 HB3 PRO B 209 9.731 -0.549 0.026 1.00 15.00 H new ATOM 0 HG2 PRO B 209 7.812 -0.980 -1.760 1.00 15.00 H new ATOM 0 HG3 PRO B 209 8.889 -2.289 -1.314 1.00 15.00 H new ATOM 0 HD2 PRO B 209 6.056 -1.782 -0.402 1.00 15.00 H new ATOM 0 HD3 PRO B 209 6.812 -3.299 -0.848 1.00 15.00 H new ATOM 656 N PRO B 210 9.024 -0.502 3.563 1.00 15.00 N ATOM 657 CA PRO B 210 8.808 0.394 4.707 1.00 15.00 C ATOM 658 C PRO B 210 8.277 1.760 4.277 1.00 15.00 C ATOM 659 O PRO B 210 8.855 2.418 3.413 1.00 15.00 O ATOM 660 CB PRO B 210 10.203 0.527 5.318 1.00 15.00 C ATOM 661 CG PRO B 210 10.893 -0.737 4.946 1.00 15.00 C ATOM 662 CD PRO B 210 10.370 -1.104 3.585 1.00 15.00 C ATOM 0 HA PRO B 210 8.062 0.005 5.399 1.00 15.00 H new ATOM 0 HB2 PRO B 210 10.728 1.397 4.924 1.00 15.00 H new ATOM 0 HB3 PRO B 210 10.153 0.648 6.400 1.00 15.00 H new ATOM 0 HG2 PRO B 210 11.974 -0.601 4.926 1.00 15.00 H new ATOM 0 HG3 PRO B 210 10.684 -1.524 5.670 1.00 15.00 H new ATOM 0 HD2 PRO B 210 11.001 -0.706 2.791 1.00 15.00 H new ATOM 0 HD3 PRO B 210 10.329 -2.185 3.448 1.00 15.00 H new ATOM 670 N TYR B 211 7.182 2.177 4.897 1.00 15.00 N ATOM 671 CA TYR B 211 6.479 3.385 4.494 1.00 15.00 C ATOM 672 C TYR B 211 6.721 4.518 5.486 1.00 15.00 C ATOM 673 O TYR B 211 6.499 4.355 6.688 1.00 15.00 O ATOM 674 CB TYR B 211 4.982 3.085 4.399 1.00 15.00 C ATOM 675 CG TYR B 211 4.161 4.222 3.843 1.00 15.00 C ATOM 676 CD1 TYR B 211 4.158 4.488 2.484 1.00 15.00 C ATOM 677 CD2 TYR B 211 3.384 5.025 4.673 1.00 15.00 C ATOM 678 CE1 TYR B 211 3.408 5.518 1.963 1.00 15.00 C ATOM 679 CE2 TYR B 211 2.631 6.061 4.157 1.00 15.00 C ATOM 680 CZ TYR B 211 2.649 6.300 2.801 1.00 15.00 C ATOM 681 OH TYR B 211 1.910 7.330 2.278 1.00 15.00 O ATOM 0 H TYR B 211 6.759 1.691 5.688 1.00 15.00 H new ATOM 0 HA TYR B 211 6.857 3.704 3.523 1.00 15.00 H new ATOM 0 HB2 TYR B 211 4.838 2.206 3.771 1.00 15.00 H new ATOM 0 HB3 TYR B 211 4.609 2.833 5.392 1.00 15.00 H new ATOM 0 HD1 TYR B 211 4.754 3.877 1.822 1.00 15.00 H new ATOM 0 HD2 TYR B 211 3.370 4.835 5.736 1.00 15.00 H new ATOM 0 HE1 TYR B 211 3.416 5.711 0.900 1.00 15.00 H new ATOM 0 HE2 TYR B 211 2.033 6.678 4.811 1.00 15.00 H new ATOM 0 HH TYR B 211 2.307 8.186 2.544 1.00 15.00 H new ATOM 691 N SER B 212 7.160 5.667 4.983 1.00 15.00 N ATOM 692 CA SER B 212 7.381 6.823 5.842 1.00 15.00 C ATOM 693 C SER B 212 6.337 7.916 5.589 1.00 15.00 C ATOM 694 O SER B 212 5.402 8.074 6.373 1.00 15.00 O ATOM 695 CB SER B 212 8.791 7.368 5.619 1.00 15.00 C ATOM 696 OG SER B 212 9.764 6.374 5.887 1.00 15.00 O ATOM 0 H SER B 212 7.368 5.821 3.996 1.00 15.00 H new ATOM 0 HA SER B 212 7.278 6.505 6.879 1.00 15.00 H new ATOM 0 HB2 SER B 212 8.893 7.715 4.591 1.00 15.00 H new ATOM 0 HB3 SER B 212 8.958 8.230 6.264 1.00 15.00 H new ATOM 0 HG SER B 212 10.659 6.743 5.736 1.00 15.00 H new ATOM 702 N ARG B 213 6.472 8.643 4.484 1.00 15.00 N ATOM 703 CA ARG B 213 5.500 9.677 4.137 1.00 15.00 C ATOM 704 C ARG B 213 4.854 9.382 2.788 1.00 15.00 C ATOM 705 O ARG B 213 3.630 9.330 2.671 1.00 15.00 O ATOM 706 CB ARG B 213 6.150 11.063 4.111 1.00 15.00 C ATOM 707 CG ARG B 213 5.178 12.179 3.760 1.00 15.00 C ATOM 708 CD ARG B 213 4.134 12.371 4.848 1.00 15.00 C ATOM 709 NE ARG B 213 3.026 13.215 4.407 1.00 15.00 N ATOM 710 CZ ARG B 213 2.456 14.153 5.160 1.00 15.00 C ATOM 711 NH1 ARG B 213 2.972 14.472 6.342 1.00 15.00 N1+ ATOM 712 NH2 ARG B 213 1.387 14.795 4.713 1.00 15.00 N ATOM 0 H ARG B 213 7.237 8.538 3.818 1.00 15.00 H new ATOM 0 HA ARG B 213 4.728 9.672 4.907 1.00 15.00 H new ATOM 0 HB2 ARG B 213 6.590 11.268 5.087 1.00 15.00 H new ATOM 0 HB3 ARG B 213 6.965 11.060 3.388 1.00 15.00 H new ATOM 0 HG2 ARG B 213 5.728 13.109 3.613 1.00 15.00 H new ATOM 0 HG3 ARG B 213 4.683 11.949 2.816 1.00 15.00 H new ATOM 0 HD2 ARG B 213 3.748 11.399 5.155 1.00 15.00 H new ATOM 0 HD3 ARG B 213 4.603 12.819 5.724 1.00 15.00 H new ATOM 0 HE ARG B 213 2.667 13.077 3.462 1.00 15.00 H new ATOM 0 HH11 ARG B 213 3.810 13.997 6.678 1.00 15.00 H new ATOM 0 HH12 ARG B 213 2.530 15.192 6.914 1.00 15.00 H new ATOM 0 HH21 ARG B 213 1.004 14.570 3.795 1.00 15.00 H new ATOM 0 HH22 ARG B 213 0.947 15.514 5.287 1.00 15.00 H new ATOM 726 N TYR B 214 5.689 9.221 1.771 1.00 15.00 N ATOM 727 CA TYR B 214 5.214 8.925 0.427 1.00 15.00 C ATOM 728 C TYR B 214 5.519 7.468 0.090 1.00 15.00 C ATOM 729 O TYR B 214 6.498 6.927 0.596 1.00 15.00 O ATOM 730 CB TYR B 214 5.890 9.854 -0.587 1.00 15.00 C ATOM 731 CG TYR B 214 5.674 11.323 -0.298 1.00 15.00 C ATOM 732 CD1 TYR B 214 4.436 11.917 -0.510 1.00 15.00 C ATOM 733 CD2 TYR B 214 6.704 12.113 0.197 1.00 15.00 C ATOM 734 CE1 TYR B 214 4.232 13.256 -0.241 1.00 15.00 C ATOM 735 CE2 TYR B 214 6.507 13.454 0.470 1.00 15.00 C ATOM 736 CZ TYR B 214 5.270 14.021 0.248 1.00 15.00 C ATOM 737 OH TYR B 214 5.070 15.356 0.520 1.00 15.00 O ATOM 0 H TYR B 214 6.703 9.291 1.852 1.00 15.00 H new ATOM 0 HA TYR B 214 4.137 9.087 0.382 1.00 15.00 H new ATOM 0 HB2 TYR B 214 6.960 9.648 -0.599 1.00 15.00 H new ATOM 0 HB3 TYR B 214 5.511 9.628 -1.584 1.00 15.00 H new ATOM 0 HD1 TYR B 214 3.620 11.322 -0.892 1.00 15.00 H new ATOM 0 HD2 TYR B 214 7.675 11.672 0.371 1.00 15.00 H new ATOM 0 HE1 TYR B 214 3.264 13.702 -0.413 1.00 15.00 H new ATOM 0 HE2 TYR B 214 7.318 14.054 0.855 1.00 15.00 H new ATOM 0 HH TYR B 214 5.901 15.749 0.859 1.00 15.00 H new ATOM 747 N PRO B 215 4.711 6.799 -0.763 1.00 15.00 N ATOM 748 CA PRO B 215 4.944 5.392 -1.102 1.00 15.00 C ATOM 749 C PRO B 215 6.191 5.196 -1.961 1.00 15.00 C ATOM 750 O PRO B 215 6.243 5.644 -3.111 1.00 15.00 O ATOM 751 CB PRO B 215 3.693 4.973 -1.885 1.00 15.00 C ATOM 752 CG PRO B 215 2.720 6.095 -1.740 1.00 15.00 C ATOM 753 CD PRO B 215 3.529 7.330 -1.465 1.00 15.00 C ATOM 0 HA PRO B 215 5.112 4.797 -0.205 1.00 15.00 H new ATOM 0 HB2 PRO B 215 3.931 4.796 -2.934 1.00 15.00 H new ATOM 0 HB3 PRO B 215 3.279 4.045 -1.491 1.00 15.00 H new ATOM 0 HG2 PRO B 215 2.127 6.214 -2.647 1.00 15.00 H new ATOM 0 HG3 PRO B 215 2.022 5.900 -0.926 1.00 15.00 H new ATOM 0 HD2 PRO B 215 3.803 7.846 -2.385 1.00 15.00 H new ATOM 0 HD3 PRO B 215 2.981 8.044 -0.850 1.00 15.00 H new ATOM 761 N MET B 216 7.194 4.543 -1.395 1.00 15.00 N ATOM 762 CA MET B 216 8.431 4.274 -2.110 1.00 15.00 C ATOM 763 C MET B 216 8.530 2.795 -2.506 1.00 15.00 C ATOM 764 O MET B 216 8.558 1.914 -1.648 1.00 15.00 O ATOM 765 CB MET B 216 9.656 4.681 -1.273 1.00 15.00 C ATOM 766 CG MET B 216 9.740 4.022 0.100 1.00 15.00 C ATOM 767 SD MET B 216 8.688 4.814 1.335 1.00 15.00 S ATOM 768 CE MET B 216 9.509 6.398 1.512 1.00 15.00 C ATOM 0 H MET B 216 7.175 4.188 -0.439 1.00 15.00 H new ATOM 0 HA MET B 216 8.419 4.875 -3.019 1.00 15.00 H new ATOM 0 HB2 MET B 216 10.559 4.437 -1.833 1.00 15.00 H new ATOM 0 HB3 MET B 216 9.645 5.763 -1.141 1.00 15.00 H new ATOM 0 HG2 MET B 216 9.457 2.973 0.010 1.00 15.00 H new ATOM 0 HG3 MET B 216 10.774 4.045 0.444 1.00 15.00 H new ATOM 0 HE1 MET B 216 9.424 6.739 2.544 1.00 15.00 H new ATOM 0 HE2 MET B 216 10.562 6.293 1.250 1.00 15.00 H new ATOM 0 HE3 MET B 216 9.041 7.126 0.850 1.00 15.00 H new ATOM 778 N ASP B 217 8.555 2.532 -3.807 1.00 15.00 N ATOM 779 CA ASP B 217 8.775 1.186 -4.324 1.00 15.00 C ATOM 780 C ASP B 217 9.708 1.260 -5.517 1.00 15.00 C ATOM 781 O ASP B 217 9.226 1.524 -6.635 1.00 15.00 O ATOM 782 CB ASP B 217 7.456 0.518 -4.733 1.00 15.00 C ATOM 783 CG ASP B 217 7.668 -0.854 -5.354 1.00 15.00 C ATOM 784 OD1 ASP B 217 8.296 -1.724 -4.709 1.00 15.00 O ATOM 785 OD2 ASP B 217 7.205 -1.071 -6.491 1.00 15.00 O1- ATOM 786 OXT ASP B 217 10.930 1.109 -5.328 1.00 15.00 O ATOM 0 H ASP B 217 8.424 3.240 -4.529 1.00 15.00 H new ATOM 0 HA ASP B 217 9.221 0.581 -3.535 1.00 15.00 H new ATOM 0 HB2 ASP B 217 6.814 0.422 -3.857 1.00 15.00 H new ATOM 0 HB3 ASP B 217 6.933 1.158 -5.443 1.00 15.00 H new TER 791 ASP B 217