USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 397 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 320 ASN : amide:sc= -0.0797 K(o=0.16,f=-0.53) USER MOD Set 1.2: A 322 THR OG1 : rot 75:sc= 0.24 USER MOD Set 2.1: A 318 HIS : +bothHN:sc= -2.63! C(o=-3.9!,f=-19!) USER MOD Set 2.2: B 211 TYR OH : rot -150:sc= -1.3! USER MOD Single : A 307 ASN : amide:sc= -0.303 K(o=-0.3,f=-3.6!) USER MOD Single : A 308 THR OG1 : rot -72:sc= 0.281 USER MOD Single : A 310 THR OG1 : rot 46:sc= 0.714 USER MOD Single : A 314 TYR OH : rot 179:sc= 0.279 USER MOD Single : A 319 ASN : amide:sc= -0.0238 X(o=-0.024,f=-0.29) USER MOD Single : A 323 THR OG1 : rot -165:sc= -3! USER MOD Single : A 324 GLN :FLIP amide:sc= -1.63! C(o=-3.3!,f=-1.6!) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD Single : A 331 SER OG : rot -160:sc= -0.943 USER MOD Single : A 333 ASN : amide:sc=-0.00229 X(o=-0.0023,f=0) USER MOD Single : B 206 SER OG : rot -75:sc= 0.768 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 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 297 5.180 1.168 13.989 1.00 15.00 N ATOM 2 CA GLY A 297 6.224 1.646 13.054 1.00 15.00 C ATOM 3 C GLY A 297 5.882 3.000 12.475 1.00 15.00 C ATOM 4 O GLY A 297 4.752 3.218 12.034 1.00 15.00 O ATOM 0 HA2 GLY A 297 7.180 1.704 13.575 1.00 15.00 H new ATOM 0 HA3 GLY A 297 6.345 0.925 12.245 1.00 15.00 H new ATOM 10 N PRO A 298 6.835 3.942 12.481 1.00 15.00 N ATOM 11 CA PRO A 298 6.610 5.290 11.955 1.00 15.00 C ATOM 12 C PRO A 298 6.414 5.285 10.432 1.00 15.00 C ATOM 13 O PRO A 298 7.238 4.718 9.707 1.00 15.00 O ATOM 14 CB PRO A 298 7.898 6.035 12.319 1.00 15.00 C ATOM 15 CG PRO A 298 8.929 4.973 12.478 1.00 15.00 C ATOM 16 CD PRO A 298 8.201 3.768 13.005 1.00 15.00 C ATOM 0 HA PRO A 298 5.709 5.745 12.366 1.00 15.00 H new ATOM 0 HB2 PRO A 298 8.178 6.743 11.539 1.00 15.00 H new ATOM 0 HB3 PRO A 298 7.776 6.607 13.239 1.00 15.00 H new ATOM 0 HG2 PRO A 298 9.412 4.752 11.526 1.00 15.00 H new ATOM 0 HG3 PRO A 298 9.712 5.289 13.167 1.00 15.00 H new ATOM 0 HD2 PRO A 298 8.652 2.840 12.653 1.00 15.00 H new ATOM 0 HD3 PRO A 298 8.213 3.735 14.094 1.00 15.00 H new ATOM 24 N LEU A 299 5.331 5.899 9.944 1.00 15.00 N ATOM 25 CA LEU A 299 5.097 5.996 8.509 1.00 15.00 C ATOM 26 C LEU A 299 6.175 6.864 7.866 1.00 15.00 C ATOM 27 O LEU A 299 6.344 8.025 8.245 1.00 15.00 O ATOM 28 CB LEU A 299 3.716 6.602 8.238 1.00 15.00 C ATOM 29 CG LEU A 299 3.319 6.679 6.761 1.00 15.00 C ATOM 30 CD1 LEU A 299 3.024 5.290 6.214 1.00 15.00 C ATOM 31 CD2 LEU A 299 2.118 7.594 6.584 1.00 15.00 C ATOM 0 H LEU A 299 4.610 6.332 10.521 1.00 15.00 H new ATOM 0 HA LEU A 299 5.135 4.995 8.078 1.00 15.00 H new ATOM 0 HB2 LEU A 299 2.968 6.014 8.769 1.00 15.00 H new ATOM 0 HB3 LEU A 299 3.689 7.607 8.658 1.00 15.00 H new ATOM 0 HG LEU A 299 4.154 7.095 6.198 1.00 15.00 H new ATOM 0 HD11 LEU A 299 2.744 5.365 5.163 1.00 15.00 H new ATOM 0 HD12 LEU A 299 3.912 4.665 6.309 1.00 15.00 H new ATOM 0 HD13 LEU A 299 2.205 4.844 6.777 1.00 15.00 H new ATOM 0 HD21 LEU A 299 1.847 7.639 5.529 1.00 15.00 H new ATOM 0 HD22 LEU A 299 1.277 7.206 7.158 1.00 15.00 H new ATOM 0 HD23 LEU A 299 2.368 8.594 6.938 1.00 15.00 H new ATOM 43 N PRO A 300 6.922 6.321 6.889 1.00 15.00 N ATOM 44 CA PRO A 300 7.992 7.066 6.216 1.00 15.00 C ATOM 45 C PRO A 300 7.433 8.214 5.371 1.00 15.00 C ATOM 46 O PRO A 300 6.386 8.074 4.740 1.00 15.00 O ATOM 47 CB PRO A 300 8.665 6.013 5.323 1.00 15.00 C ATOM 48 CG PRO A 300 8.167 4.693 5.816 1.00 15.00 C ATOM 49 CD PRO A 300 6.790 4.956 6.346 1.00 15.00 C ATOM 0 HA PRO A 300 8.679 7.531 6.923 1.00 15.00 H new ATOM 0 HB2 PRO A 300 8.406 6.164 4.275 1.00 15.00 H new ATOM 0 HB3 PRO A 300 9.751 6.074 5.394 1.00 15.00 H new ATOM 0 HG2 PRO A 300 8.144 3.957 5.012 1.00 15.00 H new ATOM 0 HG3 PRO A 300 8.817 4.294 6.594 1.00 15.00 H new ATOM 0 HD2 PRO A 300 6.034 4.901 5.562 1.00 15.00 H new ATOM 0 HD3 PRO A 300 6.505 4.238 7.115 1.00 15.00 H new ATOM 57 N PRO A 301 8.143 9.357 5.326 1.00 15.00 N ATOM 58 CA PRO A 301 7.671 10.577 4.642 1.00 15.00 C ATOM 59 C PRO A 301 7.446 10.396 3.135 1.00 15.00 C ATOM 60 O PRO A 301 6.787 11.220 2.494 1.00 15.00 O ATOM 61 CB PRO A 301 8.793 11.592 4.890 1.00 15.00 C ATOM 62 CG PRO A 301 9.561 11.052 6.048 1.00 15.00 C ATOM 63 CD PRO A 301 9.463 9.559 5.946 1.00 15.00 C ATOM 0 HA PRO A 301 6.697 10.881 5.026 1.00 15.00 H new ATOM 0 HB2 PRO A 301 9.429 11.698 4.011 1.00 15.00 H new ATOM 0 HB3 PRO A 301 8.388 12.579 5.112 1.00 15.00 H new ATOM 0 HG2 PRO A 301 10.600 11.378 6.014 1.00 15.00 H new ATOM 0 HG3 PRO A 301 9.146 11.407 6.991 1.00 15.00 H new ATOM 0 HD2 PRO A 301 10.264 9.142 5.335 1.00 15.00 H new ATOM 0 HD3 PRO A 301 9.527 9.082 6.924 1.00 15.00 H new ATOM 71 N GLY A 302 8.025 9.345 2.573 1.00 15.00 N ATOM 72 CA GLY A 302 7.848 9.061 1.157 1.00 15.00 C ATOM 73 C GLY A 302 6.758 8.037 0.907 1.00 15.00 C ATOM 74 O GLY A 302 6.290 7.868 -0.221 1.00 15.00 O ATOM 0 H GLY A 302 8.617 8.680 3.071 1.00 15.00 H new ATOM 0 HA2 GLY A 302 7.604 9.984 0.631 1.00 15.00 H new ATOM 0 HA3 GLY A 302 8.788 8.697 0.742 1.00 15.00 H new ATOM 78 N TRP A 303 6.364 7.352 1.967 1.00 15.00 N ATOM 79 CA TRP A 303 5.438 6.239 1.877 1.00 15.00 C ATOM 80 C TRP A 303 4.006 6.668 2.139 1.00 15.00 C ATOM 81 O TRP A 303 3.763 7.595 2.911 1.00 15.00 O ATOM 82 CB TRP A 303 5.811 5.173 2.885 1.00 15.00 C ATOM 83 CG TRP A 303 6.836 4.227 2.382 1.00 15.00 C ATOM 84 CD1 TRP A 303 8.180 4.434 2.293 1.00 15.00 C ATOM 85 CD2 TRP A 303 6.593 2.912 1.894 1.00 15.00 C ATOM 86 NE1 TRP A 303 8.790 3.315 1.798 1.00 15.00 N ATOM 87 CE2 TRP A 303 7.830 2.371 1.545 1.00 15.00 C ATOM 88 CE3 TRP A 303 5.448 2.132 1.722 1.00 15.00 C ATOM 89 CZ2 TRP A 303 7.956 1.094 1.044 1.00 15.00 C ATOM 90 CZ3 TRP A 303 5.585 0.860 1.220 1.00 15.00 C ATOM 91 CH2 TRP A 303 6.829 0.350 0.886 1.00 15.00 C ATOM 0 H TRP A 303 6.679 7.554 2.916 1.00 15.00 H new ATOM 0 HA TRP A 303 5.504 5.849 0.861 1.00 15.00 H new ATOM 0 HB2 TRP A 303 6.182 5.652 3.791 1.00 15.00 H new ATOM 0 HB3 TRP A 303 4.916 4.616 3.163 1.00 15.00 H new ATOM 0 HD1 TRP A 303 8.687 5.346 2.572 1.00 15.00 H new ATOM 0 HE1 TRP A 303 9.792 3.202 1.643 1.00 15.00 H new ATOM 0 HE3 TRP A 303 4.474 2.521 1.978 1.00 15.00 H new ATOM 0 HZ2 TRP A 303 8.925 0.694 0.783 1.00 15.00 H new ATOM 0 HZ3 TRP A 303 4.707 0.247 1.083 1.00 15.00 H new ATOM 0 HH2 TRP A 303 6.905 -0.654 0.494 1.00 15.00 H new ATOM 102 N GLU A 304 3.062 5.972 1.524 1.00 15.00 N ATOM 103 CA GLU A 304 1.645 6.290 1.715 1.00 15.00 C ATOM 104 C GLU A 304 0.874 5.025 2.093 1.00 15.00 C ATOM 105 O GLU A 304 0.911 4.039 1.378 1.00 15.00 O ATOM 106 CB GLU A 304 1.089 6.933 0.439 1.00 15.00 C ATOM 107 CG GLU A 304 1.629 8.329 0.188 1.00 15.00 C ATOM 108 CD GLU A 304 0.856 9.412 0.920 1.00 15.00 C ATOM 109 OE1 GLU A 304 0.776 9.365 2.164 1.00 15.00 O1- ATOM 110 OE2 GLU A 304 0.337 10.330 0.244 1.00 15.00 O ATOM 0 H GLU A 304 3.243 5.191 0.894 1.00 15.00 H new ATOM 0 HA GLU A 304 1.530 7.003 2.531 1.00 15.00 H new ATOM 0 HB2 GLU A 304 1.330 6.299 -0.414 1.00 15.00 H new ATOM 0 HB3 GLU A 304 0.002 6.978 0.506 1.00 15.00 H new ATOM 0 HG2 GLU A 304 2.674 8.368 0.495 1.00 15.00 H new ATOM 0 HG3 GLU A 304 1.603 8.534 -0.882 1.00 15.00 H new ATOM 117 N ILE A 305 0.180 5.042 3.222 1.00 15.00 N ATOM 118 CA ILE A 305 -0.444 3.825 3.738 1.00 15.00 C ATOM 119 C ILE A 305 -1.970 3.851 3.610 1.00 15.00 C ATOM 120 O ILE A 305 -2.624 4.787 4.071 1.00 15.00 O ATOM 121 CB ILE A 305 -0.053 3.586 5.216 1.00 15.00 C ATOM 122 CG1 ILE A 305 -0.744 2.336 5.770 1.00 15.00 C ATOM 123 CG2 ILE A 305 -0.387 4.804 6.071 1.00 15.00 C ATOM 124 CD1 ILE A 305 -0.284 1.958 7.163 1.00 15.00 C ATOM 0 H ILE A 305 0.034 5.873 3.795 1.00 15.00 H new ATOM 0 HA ILE A 305 -0.070 3.004 3.126 1.00 15.00 H new ATOM 0 HB ILE A 305 1.024 3.426 5.254 1.00 15.00 H new ATOM 0 HG12 ILE A 305 -1.821 2.502 5.784 1.00 15.00 H new ATOM 0 HG13 ILE A 305 -0.560 1.500 5.096 1.00 15.00 H new ATOM 0 HG21 ILE A 305 -0.103 4.611 7.106 1.00 15.00 H new ATOM 0 HG22 ILE A 305 0.160 5.670 5.700 1.00 15.00 H new ATOM 0 HG23 ILE A 305 -1.458 5.002 6.020 1.00 15.00 H new ATOM 0 HD11 ILE A 305 -0.815 1.064 7.492 1.00 15.00 H new ATOM 0 HD12 ILE A 305 0.788 1.760 7.151 1.00 15.00 H new ATOM 0 HD13 ILE A 305 -0.493 2.778 7.850 1.00 15.00 H new ATOM 136 N ARG A 306 -2.536 2.825 2.969 1.00 15.00 N ATOM 137 CA ARG A 306 -3.985 2.673 2.904 1.00 15.00 C ATOM 138 C ARG A 306 -4.394 1.203 2.989 1.00 15.00 C ATOM 139 O ARG A 306 -3.756 0.314 2.405 1.00 15.00 O ATOM 140 CB ARG A 306 -4.565 3.304 1.636 1.00 15.00 C ATOM 141 CG ARG A 306 -4.426 4.816 1.594 1.00 15.00 C ATOM 142 CD ARG A 306 -5.549 5.467 0.814 1.00 15.00 C ATOM 143 NE ARG A 306 -5.626 6.903 1.084 1.00 15.00 N ATOM 144 CZ ARG A 306 -6.668 7.673 0.770 1.00 15.00 C ATOM 145 NH1 ARG A 306 -7.699 7.171 0.097 1.00 15.00 N1+ ATOM 146 NH2 ARG A 306 -6.670 8.952 1.121 1.00 15.00 N ATOM 0 H ARG A 306 -2.012 2.092 2.491 1.00 15.00 H new ATOM 0 HA ARG A 306 -4.395 3.200 3.765 1.00 15.00 H new ATOM 0 HB2 ARG A 306 -4.066 2.877 0.766 1.00 15.00 H new ATOM 0 HB3 ARG A 306 -5.620 3.042 1.559 1.00 15.00 H new ATOM 0 HG2 ARG A 306 -4.416 5.208 2.611 1.00 15.00 H new ATOM 0 HG3 ARG A 306 -3.470 5.080 1.142 1.00 15.00 H new ATOM 0 HD2 ARG A 306 -5.395 5.304 -0.253 1.00 15.00 H new ATOM 0 HD3 ARG A 306 -6.496 4.995 1.075 1.00 15.00 H new ATOM 0 HE ARG A 306 -4.829 7.344 1.543 1.00 15.00 H new ATOM 0 HH11 ARG A 306 -7.696 6.190 -0.183 1.00 15.00 H new ATOM 0 HH12 ARG A 306 -8.492 7.767 -0.139 1.00 15.00 H new ATOM 0 HH21 ARG A 306 -5.876 9.343 1.629 1.00 15.00 H new ATOM 0 HH22 ARG A 306 -7.465 9.545 0.883 1.00 15.00 H new ATOM 160 N ASN A 307 -5.480 0.961 3.707 1.00 15.00 N ATOM 161 CA ASN A 307 -5.994 -0.384 3.900 1.00 15.00 C ATOM 162 C ASN A 307 -7.251 -0.587 3.040 1.00 15.00 C ATOM 163 O ASN A 307 -8.144 0.260 3.042 1.00 15.00 O ATOM 164 CB ASN A 307 -6.329 -0.591 5.383 1.00 15.00 C ATOM 165 CG ASN A 307 -6.391 -2.055 5.786 1.00 15.00 C ATOM 166 OD1 ASN A 307 -6.706 -2.930 4.982 1.00 15.00 O ATOM 167 ND2 ASN A 307 -6.091 -2.328 7.047 1.00 15.00 N ATOM 0 H ASN A 307 -6.026 1.688 4.169 1.00 15.00 H new ATOM 0 HA ASN A 307 -5.240 -1.111 3.598 1.00 15.00 H new ATOM 0 HB2 ASN A 307 -5.580 -0.085 5.992 1.00 15.00 H new ATOM 0 HB3 ASN A 307 -7.288 -0.120 5.601 1.00 15.00 H new ATOM 0 HD21 ASN A 307 -6.117 -3.292 7.380 1.00 15.00 H new ATOM 0 HD22 ASN A 307 -5.834 -1.575 7.685 1.00 15.00 H new ATOM 174 N THR A 308 -7.331 -1.702 2.320 1.00 15.00 N ATOM 175 CA THR A 308 -8.493 -2.000 1.496 1.00 15.00 C ATOM 176 C THR A 308 -9.503 -2.807 2.298 1.00 15.00 C ATOM 177 O THR A 308 -9.114 -3.635 3.134 1.00 15.00 O ATOM 178 CB THR A 308 -8.116 -2.792 0.224 1.00 15.00 C ATOM 179 OG1 THR A 308 -6.757 -3.247 0.289 1.00 15.00 O ATOM 180 CG2 THR A 308 -8.317 -1.953 -1.027 1.00 15.00 C ATOM 0 H THR A 308 -6.602 -2.415 2.292 1.00 15.00 H new ATOM 0 HA THR A 308 -8.923 -1.047 1.189 1.00 15.00 H new ATOM 0 HB THR A 308 -8.777 -3.657 0.172 1.00 15.00 H new ATOM 0 HG1 THR A 308 -6.151 -2.485 0.174 1.00 15.00 H new ATOM 0 HG21 THR A 308 -8.043 -2.538 -1.905 1.00 15.00 H new ATOM 0 HG22 THR A 308 -9.363 -1.655 -1.101 1.00 15.00 H new ATOM 0 HG23 THR A 308 -7.689 -1.064 -0.973 1.00 15.00 H new ATOM 188 N ALA A 309 -10.789 -2.591 2.017 1.00 15.00 N ATOM 189 CA ALA A 309 -11.875 -3.226 2.765 1.00 15.00 C ATOM 190 C ALA A 309 -11.812 -4.750 2.681 1.00 15.00 C ATOM 191 O ALA A 309 -12.368 -5.450 3.529 1.00 15.00 O ATOM 192 CB ALA A 309 -13.219 -2.728 2.253 1.00 15.00 C ATOM 0 H ALA A 309 -11.106 -1.974 1.269 1.00 15.00 H new ATOM 0 HA ALA A 309 -11.759 -2.951 3.813 1.00 15.00 H new ATOM 0 HB1 ALA A 309 -14.022 -3.205 2.815 1.00 15.00 H new ATOM 0 HB2 ALA A 309 -13.279 -1.647 2.381 1.00 15.00 H new ATOM 0 HB3 ALA A 309 -13.320 -2.974 1.196 1.00 15.00 H new ATOM 198 N THR A 310 -11.129 -5.252 1.661 1.00 15.00 N ATOM 199 CA THR A 310 -10.927 -6.685 1.496 1.00 15.00 C ATOM 200 C THR A 310 -10.035 -7.263 2.599 1.00 15.00 C ATOM 201 O THR A 310 -9.986 -8.478 2.795 1.00 15.00 O ATOM 202 CB THR A 310 -10.312 -6.994 0.119 1.00 15.00 C ATOM 203 OG1 THR A 310 -9.379 -5.961 -0.242 1.00 15.00 O ATOM 204 CG2 THR A 310 -11.391 -7.108 -0.948 1.00 15.00 C ATOM 0 H THR A 310 -10.702 -4.683 0.930 1.00 15.00 H new ATOM 0 HA THR A 310 -11.907 -7.157 1.567 1.00 15.00 H new ATOM 0 HB THR A 310 -9.792 -7.950 0.184 1.00 15.00 H new ATOM 0 HG1 THR A 310 -8.801 -5.761 0.523 1.00 15.00 H new ATOM 0 HG21 THR A 310 -10.929 -7.327 -1.911 1.00 15.00 H new ATOM 0 HG22 THR A 310 -12.079 -7.911 -0.685 1.00 15.00 H new ATOM 0 HG23 THR A 310 -11.939 -6.168 -1.014 1.00 15.00 H new ATOM 212 N GLY A 311 -9.343 -6.390 3.324 1.00 15.00 N ATOM 213 CA GLY A 311 -8.476 -6.834 4.398 1.00 15.00 C ATOM 214 C GLY A 311 -7.031 -6.951 3.958 1.00 15.00 C ATOM 215 O GLY A 311 -6.346 -7.914 4.298 1.00 15.00 O ATOM 0 H GLY A 311 -9.368 -5.380 3.186 1.00 15.00 H new ATOM 0 HA2 GLY A 311 -8.545 -6.134 5.231 1.00 15.00 H new ATOM 0 HA3 GLY A 311 -8.821 -7.801 4.765 1.00 15.00 H new ATOM 219 N ARG A 312 -6.562 -5.965 3.202 1.00 15.00 N ATOM 220 CA ARG A 312 -5.192 -5.977 2.687 1.00 15.00 C ATOM 221 C ARG A 312 -4.608 -4.571 2.777 1.00 15.00 C ATOM 222 O ARG A 312 -5.314 -3.606 2.518 1.00 15.00 O ATOM 223 CB ARG A 312 -5.167 -6.425 1.227 1.00 15.00 C ATOM 224 CG ARG A 312 -5.880 -7.725 0.917 1.00 15.00 C ATOM 225 CD ARG A 312 -5.928 -7.939 -0.586 1.00 15.00 C ATOM 226 NE ARG A 312 -7.013 -7.186 -1.224 1.00 15.00 N ATOM 227 CZ ARG A 312 -7.153 -7.040 -2.545 1.00 15.00 C ATOM 228 NH1 ARG A 312 -6.275 -7.588 -3.380 1.00 15.00 N1+ ATOM 229 NH2 ARG A 312 -8.178 -6.348 -3.029 1.00 15.00 N ATOM 0 H ARG A 312 -7.107 -5.147 2.931 1.00 15.00 H new ATOM 0 HA ARG A 312 -4.604 -6.674 3.284 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -5.610 -5.637 0.619 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -4.127 -6.521 0.915 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -5.364 -8.557 1.396 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -6.891 -7.702 1.323 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -4.976 -7.640 -1.023 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -6.055 -9.001 -0.795 1.00 15.00 H new ATOM 0 HE ARG A 312 -7.706 -6.745 -0.620 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -5.488 -8.124 -3.013 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -6.388 -7.472 -4.387 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -8.856 -5.929 -2.393 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -8.287 -6.235 -4.037 1.00 15.00 H new ATOM 243 N VAL A 313 -3.327 -4.434 3.093 1.00 15.00 N ATOM 244 CA VAL A 313 -2.759 -3.101 3.285 1.00 15.00 C ATOM 245 C VAL A 313 -1.744 -2.738 2.189 1.00 15.00 C ATOM 246 O VAL A 313 -0.575 -3.081 2.269 1.00 15.00 O ATOM 247 CB VAL A 313 -2.097 -2.953 4.668 1.00 15.00 C ATOM 248 CG1 VAL A 313 -1.885 -1.480 4.993 1.00 15.00 C ATOM 249 CG2 VAL A 313 -2.936 -3.630 5.743 1.00 15.00 C ATOM 0 H VAL A 313 -2.673 -5.207 3.220 1.00 15.00 H new ATOM 0 HA VAL A 313 -3.598 -2.408 3.221 1.00 15.00 H new ATOM 0 HB VAL A 313 -1.125 -3.445 4.643 1.00 15.00 H new ATOM 0 HG11 VAL A 313 -1.417 -1.387 5.973 1.00 15.00 H new ATOM 0 HG12 VAL A 313 -1.240 -1.030 4.238 1.00 15.00 H new ATOM 0 HG13 VAL A 313 -2.847 -0.967 5.001 1.00 15.00 H new ATOM 0 HG21 VAL A 313 -2.450 -3.513 6.711 1.00 15.00 H new ATOM 0 HG22 VAL A 313 -3.924 -3.172 5.776 1.00 15.00 H new ATOM 0 HG23 VAL A 313 -3.035 -4.691 5.513 1.00 15.00 H new ATOM 259 N TYR A 314 -2.219 -2.027 1.177 1.00 15.00 N ATOM 260 CA TYR A 314 -1.417 -1.571 0.067 1.00 15.00 C ATOM 261 C TYR A 314 -0.824 -0.200 0.375 1.00 15.00 C ATOM 262 O TYR A 314 -1.539 0.778 0.611 1.00 15.00 O ATOM 263 CB TYR A 314 -2.291 -1.495 -1.204 1.00 15.00 C ATOM 264 CG TYR A 314 -3.471 -0.541 -1.080 1.00 15.00 C ATOM 265 CD1 TYR A 314 -4.565 -0.864 -0.289 1.00 15.00 C ATOM 266 CD2 TYR A 314 -3.474 0.696 -1.723 1.00 15.00 C ATOM 267 CE1 TYR A 314 -5.619 0.011 -0.135 1.00 15.00 C ATOM 268 CE2 TYR A 314 -4.534 1.575 -1.575 1.00 15.00 C ATOM 269 CZ TYR A 314 -5.600 1.226 -0.777 1.00 15.00 C ATOM 270 OH TYR A 314 -6.653 2.096 -0.615 1.00 15.00 O ATOM 0 H TYR A 314 -3.198 -1.748 1.110 1.00 15.00 H new ATOM 0 HA TYR A 314 -0.601 -2.275 -0.098 1.00 15.00 H new ATOM 0 HB2 TYR A 314 -1.670 -1.183 -2.043 1.00 15.00 H new ATOM 0 HB3 TYR A 314 -2.664 -2.492 -1.437 1.00 15.00 H new ATOM 0 HD1 TYR A 314 -4.591 -1.819 0.215 1.00 15.00 H new ATOM 0 HD2 TYR A 314 -2.637 0.973 -2.346 1.00 15.00 H new ATOM 0 HE1 TYR A 314 -6.458 -0.258 0.489 1.00 15.00 H new ATOM 0 HE2 TYR A 314 -4.524 2.528 -2.082 1.00 15.00 H new ATOM 0 HH TYR A 314 -6.480 2.917 -1.121 1.00 15.00 H new ATOM 280 N PHE A 315 0.483 -0.136 0.413 1.00 15.00 N ATOM 281 CA PHE A 315 1.165 1.126 0.587 1.00 15.00 C ATOM 282 C PHE A 315 1.541 1.688 -0.767 1.00 15.00 C ATOM 283 O PHE A 315 2.342 1.105 -1.477 1.00 15.00 O ATOM 284 CB PHE A 315 2.433 0.957 1.415 1.00 15.00 C ATOM 285 CG PHE A 315 2.232 0.500 2.828 1.00 15.00 C ATOM 286 CD1 PHE A 315 1.568 -0.680 3.103 1.00 15.00 C ATOM 287 CD2 PHE A 315 2.740 1.240 3.884 1.00 15.00 C ATOM 288 CE1 PHE A 315 1.408 -1.112 4.398 1.00 15.00 C ATOM 289 CE2 PHE A 315 2.592 0.804 5.185 1.00 15.00 C ATOM 290 CZ PHE A 315 1.921 -0.374 5.439 1.00 15.00 C ATOM 0 H PHE A 315 1.099 -0.944 0.326 1.00 15.00 H new ATOM 0 HA PHE A 315 0.491 1.805 1.109 1.00 15.00 H new ATOM 0 HB2 PHE A 315 3.082 0.241 0.910 1.00 15.00 H new ATOM 0 HB3 PHE A 315 2.963 1.910 1.433 1.00 15.00 H new ATOM 0 HD1 PHE A 315 1.170 -1.270 2.291 1.00 15.00 H new ATOM 0 HD2 PHE A 315 3.257 2.167 3.687 1.00 15.00 H new ATOM 0 HE1 PHE A 315 0.879 -2.032 4.598 1.00 15.00 H new ATOM 0 HE2 PHE A 315 3.000 1.383 6.001 1.00 15.00 H new ATOM 0 HZ PHE A 315 1.798 -0.717 6.456 1.00 15.00 H new ATOM 300 N VAL A 316 1.003 2.825 -1.121 1.00 15.00 N ATOM 301 CA VAL A 316 1.325 3.410 -2.393 1.00 15.00 C ATOM 302 C VAL A 316 2.553 4.318 -2.230 1.00 15.00 C ATOM 303 O VAL A 316 2.538 5.272 -1.453 1.00 15.00 O ATOM 304 CB VAL A 316 0.129 4.192 -2.989 1.00 15.00 C ATOM 305 CG1 VAL A 316 -0.935 3.227 -3.491 1.00 15.00 C ATOM 306 CG2 VAL A 316 -0.482 5.144 -1.974 1.00 15.00 C ATOM 0 H VAL A 316 0.346 3.359 -0.552 1.00 15.00 H new ATOM 0 HA VAL A 316 1.554 2.610 -3.097 1.00 15.00 H new ATOM 0 HB VAL A 316 0.508 4.783 -3.822 1.00 15.00 H new ATOM 0 HG11 VAL A 316 -1.770 3.791 -3.907 1.00 15.00 H new ATOM 0 HG12 VAL A 316 -0.509 2.585 -4.263 1.00 15.00 H new ATOM 0 HG13 VAL A 316 -1.289 2.613 -2.663 1.00 15.00 H new ATOM 0 HG21 VAL A 316 -1.318 5.674 -2.430 1.00 15.00 H new ATOM 0 HG22 VAL A 316 -0.837 4.578 -1.113 1.00 15.00 H new ATOM 0 HG23 VAL A 316 0.271 5.863 -1.651 1.00 15.00 H new ATOM 316 N ASP A 317 3.642 3.989 -2.912 1.00 15.00 N ATOM 317 CA ASP A 317 4.848 4.760 -2.799 1.00 15.00 C ATOM 318 C ASP A 317 4.813 5.842 -3.849 1.00 15.00 C ATOM 319 O ASP A 317 4.794 5.538 -5.050 1.00 15.00 O ATOM 320 CB ASP A 317 6.098 3.913 -3.052 1.00 15.00 C ATOM 321 CG ASP A 317 5.953 2.464 -2.672 1.00 15.00 C ATOM 322 OD1 ASP A 317 6.236 2.127 -1.514 1.00 15.00 O1- ATOM 323 OD2 ASP A 317 5.623 1.651 -3.562 1.00 15.00 O ATOM 0 H ASP A 317 3.704 3.192 -3.546 1.00 15.00 H new ATOM 0 HA ASP A 317 4.898 5.161 -1.787 1.00 15.00 H new ATOM 0 HB2 ASP A 317 6.356 3.975 -4.109 1.00 15.00 H new ATOM 0 HB3 ASP A 317 6.931 4.341 -2.495 1.00 15.00 H new ATOM 328 N HIS A 318 4.797 7.098 -3.413 1.00 15.00 N ATOM 329 CA HIS A 318 4.874 8.216 -4.342 1.00 15.00 C ATOM 330 C HIS A 318 6.263 8.253 -4.970 1.00 15.00 C ATOM 331 O HIS A 318 6.496 8.932 -5.968 1.00 15.00 O ATOM 332 CB HIS A 318 4.563 9.551 -3.648 1.00 15.00 C ATOM 333 CG HIS A 318 3.138 9.702 -3.184 1.00 15.00 C ATOM 334 ND1 HIS A 318 2.105 8.878 -3.588 1.00 15.00 N ATOM 335 CD2 HIS A 318 2.582 10.598 -2.338 1.00 15.00 C ATOM 336 CE1 HIS A 318 0.986 9.266 -3.011 1.00 15.00 C ATOM 337 NE2 HIS A 318 1.240 10.307 -2.243 1.00 15.00 N ATOM 0 H HIS A 318 4.732 7.364 -2.430 1.00 15.00 H new ATOM 0 HA HIS A 318 4.123 8.073 -5.119 1.00 15.00 H new ATOM 0 HB2 HIS A 318 5.224 9.661 -2.788 1.00 15.00 H new ATOM 0 HB3 HIS A 318 4.795 10.365 -4.335 1.00 15.00 H new ATOM 0 HD1 HIS A 318 2.195 8.092 -4.232 1.00 15.00 H new ATOM 0 HD2 HIS A 318 3.098 11.398 -1.828 1.00 15.00 H new ATOM 0 HE1 HIS A 318 0.018 8.806 -3.145 1.00 15.00 H new ATOM 0 HE2 HIS A 318 0.558 10.811 -1.675 1.00 15.00 H new ATOM 346 N ASN A 319 7.180 7.514 -4.354 1.00 15.00 N ATOM 347 CA ASN A 319 8.545 7.381 -4.846 1.00 15.00 C ATOM 348 C ASN A 319 8.567 6.653 -6.182 1.00 15.00 C ATOM 349 O ASN A 319 9.090 7.159 -7.170 1.00 15.00 O ATOM 350 CB ASN A 319 9.399 6.584 -3.850 1.00 15.00 C ATOM 351 CG ASN A 319 9.355 7.135 -2.441 1.00 15.00 C ATOM 352 OD1 ASN A 319 9.236 8.339 -2.232 1.00 15.00 O ATOM 353 ND2 ASN A 319 9.433 6.249 -1.460 1.00 15.00 N ATOM 0 H ASN A 319 6.996 6.990 -3.498 1.00 15.00 H new ATOM 0 HA ASN A 319 8.951 8.386 -4.966 1.00 15.00 H new ATOM 0 HB2 ASN A 319 9.058 5.549 -3.838 1.00 15.00 H new ATOM 0 HB3 ASN A 319 10.433 6.575 -4.196 1.00 15.00 H new ATOM 0 HD21 ASN A 319 9.395 6.559 -0.489 1.00 15.00 H new ATOM 0 HD22 ASN A 319 9.531 5.257 -1.675 1.00 15.00 H new ATOM 360 N ASN A 320 7.997 5.454 -6.190 1.00 15.00 N ATOM 361 CA ASN A 320 8.083 4.554 -7.340 1.00 15.00 C ATOM 362 C ASN A 320 6.791 4.550 -8.167 1.00 15.00 C ATOM 363 O ASN A 320 6.772 4.047 -9.290 1.00 15.00 O ATOM 364 CB ASN A 320 8.410 3.138 -6.855 1.00 15.00 C ATOM 365 CG ASN A 320 8.814 2.194 -7.973 1.00 15.00 C ATOM 366 OD1 ASN A 320 9.410 2.601 -8.969 1.00 15.00 O ATOM 367 ND2 ASN A 320 8.495 0.919 -7.807 1.00 15.00 N ATOM 0 H ASN A 320 7.465 5.077 -5.406 1.00 15.00 H new ATOM 0 HA ASN A 320 8.879 4.915 -7.992 1.00 15.00 H new ATOM 0 HB2 ASN A 320 9.217 3.190 -6.124 1.00 15.00 H new ATOM 0 HB3 ASN A 320 7.540 2.729 -6.341 1.00 15.00 H new ATOM 0 HD21 ASN A 320 8.744 0.234 -8.520 1.00 15.00 H new ATOM 0 HD22 ASN A 320 8.000 0.622 -6.966 1.00 15.00 H new ATOM 374 N ARG A 321 5.709 5.088 -7.592 1.00 15.00 N ATOM 375 CA ARG A 321 4.382 5.065 -8.216 1.00 15.00 C ATOM 376 C ARG A 321 3.834 3.644 -8.219 1.00 15.00 C ATOM 377 O ARG A 321 3.189 3.209 -9.174 1.00 15.00 O ATOM 378 CB ARG A 321 4.391 5.630 -9.650 1.00 15.00 C ATOM 379 CG ARG A 321 4.550 7.144 -9.739 1.00 15.00 C ATOM 380 CD ARG A 321 6.005 7.566 -9.647 1.00 15.00 C ATOM 381 NE ARG A 321 6.792 7.035 -10.764 1.00 15.00 N ATOM 382 CZ ARG A 321 8.123 7.072 -10.847 1.00 15.00 C ATOM 383 NH1 ARG A 321 8.851 7.616 -9.880 1.00 15.00 N1+ ATOM 384 NH2 ARG A 321 8.725 6.558 -11.910 1.00 15.00 N ATOM 0 H ARG A 321 5.729 5.550 -6.683 1.00 15.00 H new ATOM 0 HA ARG A 321 3.736 5.711 -7.622 1.00 15.00 H new ATOM 0 HB2 ARG A 321 5.203 5.160 -10.206 1.00 15.00 H new ATOM 0 HB3 ARG A 321 3.461 5.347 -10.143 1.00 15.00 H new ATOM 0 HG2 ARG A 321 4.128 7.499 -10.679 1.00 15.00 H new ATOM 0 HG3 ARG A 321 3.983 7.616 -8.937 1.00 15.00 H new ATOM 0 HD2 ARG A 321 6.069 8.654 -9.641 1.00 15.00 H new ATOM 0 HD3 ARG A 321 6.427 7.216 -8.705 1.00 15.00 H new ATOM 0 HE ARG A 321 6.283 6.605 -11.536 1.00 15.00 H new ATOM 0 HH11 ARG A 321 8.394 8.013 -9.059 1.00 15.00 H new ATOM 0 HH12 ARG A 321 9.868 7.637 -9.957 1.00 15.00 H new ATOM 0 HH21 ARG A 321 8.171 6.138 -12.657 1.00 15.00 H new ATOM 0 HH22 ARG A 321 9.742 6.582 -11.981 1.00 15.00 H new ATOM 398 N THR A 322 4.053 2.945 -7.116 1.00 15.00 N ATOM 399 CA THR A 322 3.660 1.544 -6.995 1.00 15.00 C ATOM 400 C THR A 322 2.846 1.308 -5.735 1.00 15.00 C ATOM 401 O THR A 322 2.997 2.028 -4.766 1.00 15.00 O ATOM 402 CB THR A 322 4.887 0.616 -6.988 1.00 15.00 C ATOM 403 OG1 THR A 322 5.937 1.193 -6.196 1.00 15.00 O ATOM 404 CG2 THR A 322 5.382 0.363 -8.403 1.00 15.00 C ATOM 0 H THR A 322 4.504 3.326 -6.284 1.00 15.00 H new ATOM 0 HA THR A 322 3.046 1.311 -7.865 1.00 15.00 H new ATOM 0 HB THR A 322 4.592 -0.338 -6.551 1.00 15.00 H new ATOM 0 HG1 THR A 322 5.722 1.094 -5.245 1.00 15.00 H new ATOM 0 HG21 THR A 322 6.250 -0.296 -8.373 1.00 15.00 H new ATOM 0 HG22 THR A 322 4.590 -0.107 -8.987 1.00 15.00 H new ATOM 0 HG23 THR A 322 5.661 1.310 -8.866 1.00 15.00 H new ATOM 412 N THR A 323 1.947 0.338 -5.760 1.00 15.00 N ATOM 413 CA THR A 323 1.179 0.013 -4.571 1.00 15.00 C ATOM 414 C THR A 323 1.679 -1.303 -3.955 1.00 15.00 C ATOM 415 O THR A 323 2.008 -2.253 -4.670 1.00 15.00 O ATOM 416 CB THR A 323 -0.332 -0.049 -4.871 1.00 15.00 C ATOM 417 OG1 THR A 323 -1.070 -0.280 -3.670 1.00 15.00 O ATOM 418 CG2 THR A 323 -0.660 -1.129 -5.879 1.00 15.00 C ATOM 0 H THR A 323 1.733 -0.231 -6.579 1.00 15.00 H new ATOM 0 HA THR A 323 1.328 0.811 -3.844 1.00 15.00 H new ATOM 0 HB THR A 323 -0.616 0.913 -5.297 1.00 15.00 H new ATOM 0 HG1 THR A 323 -1.984 -0.552 -3.895 1.00 15.00 H new ATOM 0 HG21 THR A 323 -1.734 -1.140 -6.063 1.00 15.00 H new ATOM 0 HG22 THR A 323 -0.134 -0.928 -6.812 1.00 15.00 H new ATOM 0 HG23 THR A 323 -0.349 -2.098 -5.489 1.00 15.00 H new ATOM 426 N GLN A 324 1.740 -1.347 -2.630 1.00 15.00 N ATOM 427 CA GLN A 324 2.413 -2.425 -1.922 1.00 15.00 C ATOM 428 C GLN A 324 1.463 -3.206 -1.013 1.00 15.00 C ATOM 429 O GLN A 324 1.241 -2.814 0.123 1.00 15.00 O ATOM 430 CB GLN A 324 3.553 -1.861 -1.051 1.00 15.00 C ATOM 431 CG GLN A 324 4.602 -1.049 -1.803 1.00 15.00 C ATOM 432 CD GLN A 324 5.693 -1.904 -2.432 1.00 15.00 C ATOM 433 OE1 GLN A 324 6.127 -2.930 -1.719 1.00 15.00 O flip ATOM 434 NE2 GLN A 324 6.180 -1.620 -3.527 1.00 15.00 N flip ATOM 0 H GLN A 324 1.327 -0.641 -2.021 1.00 15.00 H new ATOM 0 HA GLN A 324 2.803 -3.100 -2.684 1.00 15.00 H new ATOM 0 HB2 GLN A 324 3.118 -1.232 -0.274 1.00 15.00 H new ATOM 0 HB3 GLN A 324 4.050 -2.691 -0.549 1.00 15.00 H new ATOM 0 HG2 GLN A 324 4.110 -0.469 -2.584 1.00 15.00 H new ATOM 0 HG3 GLN A 324 5.060 -0.337 -1.117 1.00 15.00 H new ATOM 0 HE21 GLN A 324 5.823 -0.822 -4.053 1.00 15.00 H new ATOM 0 HE22 GLN A 324 6.940 -2.183 -3.908 1.00 15.00 H new ATOM 443 N PHE A 325 0.878 -4.286 -1.530 1.00 15.00 N ATOM 444 CA PHE A 325 0.304 -5.339 -0.670 1.00 15.00 C ATOM 445 C PHE A 325 1.434 -6.108 -0.055 1.00 15.00 C ATOM 446 O PHE A 325 1.275 -6.994 0.779 1.00 15.00 O ATOM 447 CB PHE A 325 -0.621 -6.271 -1.426 1.00 15.00 C ATOM 448 CG PHE A 325 -1.998 -5.724 -1.488 1.00 15.00 C ATOM 449 CD1 PHE A 325 -2.498 -4.990 -0.424 1.00 15.00 C ATOM 450 CD2 PHE A 325 -2.787 -5.922 -2.600 1.00 15.00 C ATOM 451 CE1 PHE A 325 -3.769 -4.459 -0.492 1.00 15.00 C ATOM 452 CE2 PHE A 325 -4.059 -5.400 -2.662 1.00 15.00 C ATOM 453 CZ PHE A 325 -4.550 -4.664 -1.608 1.00 15.00 C ATOM 0 H PHE A 325 0.786 -4.461 -2.531 1.00 15.00 H new ATOM 0 HA PHE A 325 -0.306 -4.864 0.099 1.00 15.00 H new ATOM 0 HB2 PHE A 325 -0.242 -6.424 -2.436 1.00 15.00 H new ATOM 0 HB3 PHE A 325 -0.636 -7.247 -0.940 1.00 15.00 H new ATOM 0 HD1 PHE A 325 -1.893 -4.834 0.457 1.00 15.00 H new ATOM 0 HD2 PHE A 325 -2.403 -6.493 -3.432 1.00 15.00 H new ATOM 0 HE1 PHE A 325 -4.154 -3.879 0.334 1.00 15.00 H new ATOM 0 HE2 PHE A 325 -4.671 -5.568 -3.536 1.00 15.00 H new ATOM 0 HZ PHE A 325 -5.546 -4.248 -1.656 1.00 15.00 H new ATOM 463 N THR A 326 2.572 -5.786 -0.578 1.00 15.00 N ATOM 464 CA THR A 326 3.826 -6.275 -0.066 1.00 15.00 C ATOM 465 C THR A 326 4.279 -5.228 0.949 1.00 15.00 C ATOM 466 O THR A 326 4.946 -4.244 0.611 1.00 15.00 O ATOM 467 CB THR A 326 4.864 -6.497 -1.197 1.00 15.00 C ATOM 468 OG1 THR A 326 6.204 -6.367 -0.704 1.00 15.00 O ATOM 469 CG2 THR A 326 4.626 -5.547 -2.364 1.00 15.00 C ATOM 0 H THR A 326 2.666 -5.168 -1.384 1.00 15.00 H new ATOM 0 HA THR A 326 3.720 -7.255 0.400 1.00 15.00 H new ATOM 0 HB THR A 326 4.734 -7.516 -1.562 1.00 15.00 H new ATOM 0 HG1 THR A 326 6.838 -6.513 -1.437 1.00 15.00 H new ATOM 0 HG21 THR A 326 5.371 -5.729 -3.139 1.00 15.00 H new ATOM 0 HG22 THR A 326 3.629 -5.714 -2.772 1.00 15.00 H new ATOM 0 HG23 THR A 326 4.708 -4.517 -2.017 1.00 15.00 H new ATOM 477 N ASP A 327 3.860 -5.425 2.189 1.00 15.00 N ATOM 478 CA ASP A 327 3.745 -4.343 3.137 1.00 15.00 C ATOM 479 C ASP A 327 4.548 -4.542 4.378 1.00 15.00 C ATOM 480 O ASP A 327 4.810 -5.660 4.826 1.00 15.00 O ATOM 481 CB ASP A 327 2.306 -4.079 3.535 1.00 15.00 C ATOM 482 CG ASP A 327 1.483 -5.338 3.744 1.00 15.00 C ATOM 483 OD1 ASP A 327 1.901 -6.172 4.571 1.00 15.00 O ATOM 484 OD2 ASP A 327 0.414 -5.482 3.121 1.00 15.00 O1- ATOM 0 H ASP A 327 3.593 -6.337 2.559 1.00 15.00 H new ATOM 0 HA ASP A 327 4.147 -3.481 2.605 1.00 15.00 H new ATOM 0 HB2 ASP A 327 2.295 -3.493 4.454 1.00 15.00 H new ATOM 0 HB3 ASP A 327 1.832 -3.471 2.764 1.00 15.00 H new ATOM 489 N PRO A 328 4.943 -3.412 4.939 1.00 15.00 N ATOM 490 CA PRO A 328 5.578 -3.345 6.237 1.00 15.00 C ATOM 491 C PRO A 328 4.601 -3.865 7.304 1.00 15.00 C ATOM 492 O PRO A 328 4.970 -4.113 8.454 1.00 15.00 O ATOM 493 CB PRO A 328 5.910 -1.850 6.403 1.00 15.00 C ATOM 494 CG PRO A 328 5.737 -1.257 5.034 1.00 15.00 C ATOM 495 CD PRO A 328 4.697 -2.077 4.377 1.00 15.00 C ATOM 0 HA PRO A 328 6.475 -3.957 6.337 1.00 15.00 H new ATOM 0 HB2 PRO A 328 5.245 -1.376 7.125 1.00 15.00 H new ATOM 0 HB3 PRO A 328 6.928 -1.710 6.768 1.00 15.00 H new ATOM 0 HG2 PRO A 328 5.433 -0.212 5.095 1.00 15.00 H new ATOM 0 HG3 PRO A 328 6.671 -1.285 4.473 1.00 15.00 H new ATOM 0 HD2 PRO A 328 3.693 -1.719 4.606 1.00 15.00 H new ATOM 0 HD3 PRO A 328 4.799 -2.068 3.292 1.00 15.00 H new ATOM 503 N ARG A 329 3.327 -3.970 6.899 1.00 15.00 N ATOM 504 CA ARG A 329 2.278 -4.573 7.713 1.00 15.00 C ATOM 505 C ARG A 329 2.569 -6.051 7.985 1.00 15.00 C ATOM 506 O ARG A 329 2.504 -6.502 9.132 1.00 15.00 O ATOM 507 CB ARG A 329 0.899 -4.400 7.029 1.00 15.00 C ATOM 508 CG ARG A 329 0.328 -3.003 7.204 1.00 15.00 C ATOM 509 CD ARG A 329 -0.531 -2.878 8.458 1.00 15.00 C ATOM 510 NE ARG A 329 0.088 -3.493 9.632 1.00 15.00 N ATOM 511 CZ ARG A 329 0.588 -2.819 10.665 1.00 15.00 C ATOM 512 NH1 ARG A 329 0.580 -1.491 10.671 1.00 15.00 N1+ ATOM 513 NH2 ARG A 329 1.092 -3.486 11.695 1.00 15.00 N ATOM 0 H ARG A 329 3.001 -3.636 5.992 1.00 15.00 H new ATOM 0 HA ARG A 329 2.256 -4.058 8.674 1.00 15.00 H new ATOM 0 HB2 ARG A 329 0.996 -4.618 5.965 1.00 15.00 H new ATOM 0 HB3 ARG A 329 0.200 -5.128 7.441 1.00 15.00 H new ATOM 0 HG2 ARG A 329 1.145 -2.283 7.254 1.00 15.00 H new ATOM 0 HG3 ARG A 329 -0.271 -2.746 6.330 1.00 15.00 H new ATOM 0 HD2 ARG A 329 -0.718 -1.824 8.662 1.00 15.00 H new ATOM 0 HD3 ARG A 329 -1.500 -3.344 8.277 1.00 15.00 H new ATOM 0 HE ARG A 329 0.140 -4.511 9.661 1.00 15.00 H new ATOM 0 HH11 ARG A 329 0.189 -0.980 9.880 1.00 15.00 H new ATOM 0 HH12 ARG A 329 0.965 -0.982 11.467 1.00 15.00 H new ATOM 0 HH21 ARG A 329 1.094 -4.506 11.690 1.00 15.00 H new ATOM 0 HH22 ARG A 329 1.478 -2.979 12.492 1.00 15.00 H new ATOM 527 N LEU A 330 2.890 -6.800 6.938 1.00 15.00 N ATOM 528 CA LEU A 330 3.218 -8.217 7.073 1.00 15.00 C ATOM 529 C LEU A 330 4.561 -8.407 7.779 1.00 15.00 C ATOM 530 O LEU A 330 4.849 -9.482 8.310 1.00 15.00 O ATOM 531 CB LEU A 330 3.244 -8.890 5.695 1.00 15.00 C ATOM 532 CG LEU A 330 3.485 -10.402 5.705 1.00 15.00 C ATOM 533 CD1 LEU A 330 2.350 -11.124 6.415 1.00 15.00 C ATOM 534 CD2 LEU A 330 3.650 -10.924 4.286 1.00 15.00 C ATOM 0 H LEU A 330 2.931 -6.450 5.981 1.00 15.00 H new ATOM 0 HA LEU A 330 2.445 -8.686 7.682 1.00 15.00 H new ATOM 0 HB2 LEU A 330 2.295 -8.694 5.196 1.00 15.00 H new ATOM 0 HB3 LEU A 330 4.023 -8.419 5.095 1.00 15.00 H new ATOM 0 HG LEU A 330 4.407 -10.599 6.253 1.00 15.00 H new ATOM 0 HD11 LEU A 330 2.542 -12.197 6.410 1.00 15.00 H new ATOM 0 HD12 LEU A 330 2.282 -10.772 7.444 1.00 15.00 H new ATOM 0 HD13 LEU A 330 1.411 -10.921 5.900 1.00 15.00 H new ATOM 0 HD21 LEU A 330 3.821 -12.000 4.312 1.00 15.00 H new ATOM 0 HD22 LEU A 330 2.747 -10.713 3.713 1.00 15.00 H new ATOM 0 HD23 LEU A 330 4.501 -10.433 3.814 1.00 15.00 H new ATOM 546 N SER A 331 5.376 -7.355 7.790 1.00 15.00 N ATOM 547 CA SER A 331 6.691 -7.394 8.428 1.00 15.00 C ATOM 548 C SER A 331 6.575 -7.563 9.945 1.00 15.00 C ATOM 549 O SER A 331 7.575 -7.783 10.632 1.00 15.00 O ATOM 550 CB SER A 331 7.469 -6.119 8.105 1.00 15.00 C ATOM 551 OG SER A 331 7.531 -5.900 6.706 1.00 15.00 O ATOM 0 H SER A 331 5.147 -6.458 7.361 1.00 15.00 H new ATOM 0 HA SER A 331 7.227 -8.257 8.033 1.00 15.00 H new ATOM 0 HB2 SER A 331 6.993 -5.266 8.589 1.00 15.00 H new ATOM 0 HB3 SER A 331 8.478 -6.193 8.510 1.00 15.00 H new ATOM 0 HG SER A 331 8.271 -5.291 6.503 1.00 15.00 H new ATOM 557 N ALA A 332 5.355 -7.437 10.462 1.00 15.00 N ATOM 558 CA ALA A 332 5.105 -7.588 11.890 1.00 15.00 C ATOM 559 C ALA A 332 5.399 -9.013 12.358 1.00 15.00 C ATOM 560 O ALA A 332 5.710 -9.238 13.526 1.00 15.00 O ATOM 561 CB ALA A 332 3.668 -7.209 12.212 1.00 15.00 C ATOM 0 H ALA A 332 4.523 -7.230 9.910 1.00 15.00 H new ATOM 0 HA ALA A 332 5.778 -6.917 12.424 1.00 15.00 H new ATOM 0 HB1 ALA A 332 3.492 -7.325 13.281 1.00 15.00 H new ATOM 0 HB2 ALA A 332 3.492 -6.172 11.926 1.00 15.00 H new ATOM 0 HB3 ALA A 332 2.988 -7.858 11.660 1.00 15.00 H new ATOM 567 N ASN A 333 5.295 -9.972 11.445 1.00 15.00 N ATOM 568 CA ASN A 333 5.592 -11.360 11.767 1.00 15.00 C ATOM 569 C ASN A 333 6.916 -11.764 11.131 1.00 15.00 C ATOM 570 O ASN A 333 7.963 -11.626 11.795 1.00 15.00 O ATOM 571 CB ASN A 333 4.472 -12.288 11.287 1.00 15.00 C ATOM 572 CG ASN A 333 4.674 -13.722 11.748 1.00 15.00 C ATOM 573 OD1 ASN A 333 4.180 -14.123 12.803 1.00 15.00 O ATOM 574 ND2 ASN A 333 5.408 -14.502 10.970 1.00 15.00 N ATOM 575 OXT ASN A 333 6.912 -12.205 9.961 1.00 15.00 O ATOM 0 H ASN A 333 5.008 -9.813 10.479 1.00 15.00 H new ATOM 0 HA ASN A 333 5.667 -11.454 12.850 1.00 15.00 H new ATOM 0 HB2 ASN A 333 3.515 -11.921 11.658 1.00 15.00 H new ATOM 0 HB3 ASN A 333 4.423 -12.262 10.198 1.00 15.00 H new ATOM 0 HD21 ASN A 333 5.581 -15.471 11.237 1.00 15.00 H new ATOM 0 HD22 ASN A 333 5.800 -14.134 10.103 1.00 15.00 H new TER 582 ASN A 333 ATOM 583 N GLU B 203 5.121 -9.918 -4.593 1.00 15.00 N ATOM 584 CA GLU B 203 3.909 -9.972 -3.747 1.00 15.00 C ATOM 585 C GLU B 203 3.085 -11.216 -4.079 1.00 15.00 C ATOM 586 O GLU B 203 2.669 -11.422 -5.219 1.00 15.00 O ATOM 587 CB GLU B 203 3.060 -8.693 -3.917 1.00 15.00 C ATOM 588 CG GLU B 203 2.494 -8.463 -5.319 1.00 15.00 C ATOM 589 CD GLU B 203 3.557 -8.132 -6.349 1.00 15.00 C ATOM 590 OE1 GLU B 203 4.189 -9.071 -6.882 1.00 15.00 O1- ATOM 591 OE2 GLU B 203 3.788 -6.936 -6.610 1.00 15.00 O ATOM 0 HA GLU B 203 4.221 -10.031 -2.704 1.00 15.00 H new ATOM 0 HB2 GLU B 203 2.231 -8.731 -3.211 1.00 15.00 H new ATOM 0 HB3 GLU B 203 3.671 -7.833 -3.645 1.00 15.00 H new ATOM 0 HG2 GLU B 203 1.956 -9.356 -5.637 1.00 15.00 H new ATOM 0 HG3 GLU B 203 1.769 -7.650 -5.282 1.00 15.00 H new ATOM 600 N LEU B 204 2.872 -12.055 -3.077 1.00 15.00 N ATOM 601 CA LEU B 204 2.100 -13.279 -3.249 1.00 15.00 C ATOM 602 C LEU B 204 0.610 -12.990 -3.084 1.00 15.00 C ATOM 603 O LEU B 204 -0.243 -13.837 -3.360 1.00 15.00 O ATOM 604 CB LEU B 204 2.556 -14.329 -2.228 1.00 15.00 C ATOM 605 CG LEU B 204 1.973 -15.732 -2.413 1.00 15.00 C ATOM 606 CD1 LEU B 204 2.452 -16.340 -3.722 1.00 15.00 C ATOM 607 CD2 LEU B 204 2.351 -16.621 -1.239 1.00 15.00 C ATOM 0 H LEU B 204 3.224 -11.911 -2.131 1.00 15.00 H new ATOM 0 HA LEU B 204 2.268 -13.667 -4.254 1.00 15.00 H new ATOM 0 HB2 LEU B 204 3.643 -14.399 -2.267 1.00 15.00 H new ATOM 0 HB3 LEU B 204 2.295 -13.976 -1.230 1.00 15.00 H new ATOM 0 HG LEU B 204 0.886 -15.654 -2.450 1.00 15.00 H new ATOM 0 HD11 LEU B 204 2.028 -17.337 -3.837 1.00 15.00 H new ATOM 0 HD12 LEU B 204 2.132 -15.712 -4.553 1.00 15.00 H new ATOM 0 HD13 LEU B 204 3.540 -16.407 -3.715 1.00 15.00 H new ATOM 0 HD21 LEU B 204 1.929 -17.615 -1.385 1.00 15.00 H new ATOM 0 HD22 LEU B 204 3.437 -16.694 -1.172 1.00 15.00 H new ATOM 0 HD23 LEU B 204 1.959 -16.192 -0.317 1.00 15.00 H new ATOM 619 N GLU B 205 0.313 -11.784 -2.624 1.00 15.00 N ATOM 620 CA GLU B 205 -1.056 -11.367 -2.368 1.00 15.00 C ATOM 621 C GLU B 205 -1.756 -10.974 -3.670 1.00 15.00 C ATOM 622 O GLU B 205 -1.105 -10.594 -4.647 1.00 15.00 O ATOM 623 CB GLU B 205 -1.056 -10.196 -1.377 1.00 15.00 C ATOM 624 CG GLU B 205 -2.444 -9.744 -0.946 1.00 15.00 C ATOM 625 CD GLU B 205 -3.278 -10.874 -0.377 1.00 15.00 C ATOM 626 OE1 GLU B 205 -3.159 -11.158 0.829 1.00 15.00 O ATOM 627 OE2 GLU B 205 -4.065 -11.479 -1.139 1.00 15.00 O1- ATOM 0 H GLU B 205 1.012 -11.070 -2.419 1.00 15.00 H new ATOM 0 HA GLU B 205 -1.607 -12.202 -1.934 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -0.489 -10.484 -0.492 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -0.535 -9.352 -1.829 1.00 15.00 H new ATOM 0 HG2 GLU B 205 -2.349 -8.956 -0.199 1.00 15.00 H new ATOM 0 HG3 GLU B 205 -2.962 -9.311 -1.801 1.00 15.00 H new ATOM 634 N SER B 206 -3.079 -11.073 -3.652 1.00 15.00 N ATOM 635 CA SER B 206 -3.933 -10.699 -4.777 1.00 15.00 C ATOM 636 C SER B 206 -3.620 -9.317 -5.326 1.00 15.00 C ATOM 637 O SER B 206 -3.134 -8.428 -4.623 1.00 15.00 O ATOM 638 CB SER B 206 -5.395 -10.773 -4.356 1.00 15.00 C ATOM 639 OG SER B 206 -5.575 -10.370 -3.005 1.00 15.00 O ATOM 0 H SER B 206 -3.598 -11.420 -2.845 1.00 15.00 H new ATOM 0 HA SER B 206 -3.734 -11.408 -5.580 1.00 15.00 H new ATOM 0 HB2 SER B 206 -5.994 -10.137 -5.008 1.00 15.00 H new ATOM 0 HB3 SER B 206 -5.759 -11.793 -4.483 1.00 15.00 H new ATOM 0 HG SER B 206 -5.266 -11.083 -2.407 1.00 15.00 H new ATOM 645 N PRO B 207 -3.967 -9.157 -6.598 1.00 15.00 N ATOM 646 CA PRO B 207 -3.749 -7.937 -7.376 1.00 15.00 C ATOM 647 C PRO B 207 -4.217 -6.682 -6.628 1.00 15.00 C ATOM 648 O PRO B 207 -5.371 -6.603 -6.194 1.00 15.00 O ATOM 649 CB PRO B 207 -4.625 -8.150 -8.615 1.00 15.00 C ATOM 650 CG PRO B 207 -4.817 -9.630 -8.740 1.00 15.00 C ATOM 651 CD PRO B 207 -4.558 -10.237 -7.384 1.00 15.00 C ATOM 0 HA PRO B 207 -2.693 -7.778 -7.593 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -5.583 -7.641 -8.507 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -4.146 -7.743 -9.505 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -5.829 -9.858 -9.075 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -4.134 -10.044 -9.482 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -5.481 -10.598 -6.929 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -3.883 -11.090 -7.455 1.00 15.00 H new ATOM 659 N PRO B 208 -3.315 -5.699 -6.442 1.00 15.00 N ATOM 660 CA PRO B 208 -3.607 -4.495 -5.675 1.00 15.00 C ATOM 661 C PRO B 208 -4.272 -3.383 -6.491 1.00 15.00 C ATOM 662 O PRO B 208 -4.300 -3.425 -7.723 1.00 15.00 O ATOM 663 CB PRO B 208 -2.227 -4.042 -5.179 1.00 15.00 C ATOM 664 CG PRO B 208 -1.205 -4.846 -5.925 1.00 15.00 C ATOM 665 CD PRO B 208 -1.934 -5.680 -6.944 1.00 15.00 C ATOM 0 HA PRO B 208 -4.324 -4.705 -4.881 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -2.084 -2.976 -5.358 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -2.133 -4.200 -4.105 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -0.484 -4.190 -6.413 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -0.645 -5.482 -5.240 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -1.874 -5.241 -7.940 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -1.518 -6.685 -7.013 1.00 15.00 H new ATOM 673 N PRO B 209 -4.821 -2.379 -5.781 1.00 15.00 N ATOM 674 CA PRO B 209 -5.464 -1.202 -6.385 1.00 15.00 C ATOM 675 C PRO B 209 -4.574 -0.487 -7.404 1.00 15.00 C ATOM 676 O PRO B 209 -3.377 -0.313 -7.174 1.00 15.00 O ATOM 677 CB PRO B 209 -5.694 -0.270 -5.189 1.00 15.00 C ATOM 678 CG PRO B 209 -5.719 -1.148 -3.994 1.00 15.00 C ATOM 679 CD PRO B 209 -4.861 -2.336 -4.310 1.00 15.00 C ATOM 0 HA PRO B 209 -6.365 -1.487 -6.929 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -4.899 0.472 -5.113 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -6.632 0.276 -5.293 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.341 -0.620 -3.119 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.738 -1.458 -3.763 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -3.862 -2.228 -3.888 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.283 -3.252 -3.897 1.00 15.00 H new ATOM 687 N PRO B 210 -5.156 -0.047 -8.535 1.00 15.00 N ATOM 688 CA PRO B 210 -4.457 0.806 -9.505 1.00 15.00 C ATOM 689 C PRO B 210 -3.884 2.045 -8.820 1.00 15.00 C ATOM 690 O PRO B 210 -4.528 2.615 -7.935 1.00 15.00 O ATOM 691 CB PRO B 210 -5.557 1.199 -10.493 1.00 15.00 C ATOM 692 CG PRO B 210 -6.572 0.115 -10.384 1.00 15.00 C ATOM 693 CD PRO B 210 -6.537 -0.347 -8.954 1.00 15.00 C ATOM 0 HA PRO B 210 -3.614 0.305 -9.981 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -5.986 2.169 -10.242 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -5.168 1.276 -11.508 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -7.563 0.481 -10.651 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -6.341 -0.705 -11.064 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -7.267 0.183 -8.342 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -6.761 -1.410 -8.869 1.00 15.00 H new ATOM 701 N TYR B 211 -2.693 2.474 -9.229 1.00 15.00 N ATOM 702 CA TYR B 211 -1.999 3.529 -8.502 1.00 15.00 C ATOM 703 C TYR B 211 -2.670 4.888 -8.658 1.00 15.00 C ATOM 704 O TYR B 211 -2.497 5.582 -9.663 1.00 15.00 O ATOM 705 CB TYR B 211 -0.523 3.640 -8.896 1.00 15.00 C ATOM 706 CG TYR B 211 0.236 4.637 -8.037 1.00 15.00 C ATOM 707 CD1 TYR B 211 0.366 4.437 -6.667 1.00 15.00 C ATOM 708 CD2 TYR B 211 0.814 5.782 -8.585 1.00 15.00 C ATOM 709 CE1 TYR B 211 1.043 5.342 -5.875 1.00 15.00 C ATOM 710 CE2 TYR B 211 1.495 6.686 -7.785 1.00 15.00 C ATOM 711 CZ TYR B 211 1.602 6.459 -6.443 1.00 15.00 C ATOM 712 OH TYR B 211 2.275 7.367 -5.671 1.00 15.00 O ATOM 0 H TYR B 211 -2.197 2.115 -10.045 1.00 15.00 H new ATOM 0 HA TYR B 211 -2.056 3.236 -7.454 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -0.053 2.660 -8.811 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -0.451 3.938 -9.942 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -0.070 3.558 -6.215 1.00 15.00 H new ATOM 0 HD2 TYR B 211 0.730 5.966 -9.646 1.00 15.00 H new ATOM 0 HE1 TYR B 211 1.132 5.172 -4.812 1.00 15.00 H new ATOM 0 HE2 TYR B 211 1.940 7.568 -8.222 1.00 15.00 H new ATOM 0 HH TYR B 211 2.188 8.260 -6.065 1.00 15.00 H new ATOM 722 N SER B 212 -3.481 5.219 -7.676 1.00 15.00 N ATOM 723 CA SER B 212 -3.914 6.576 -7.442 1.00 15.00 C ATOM 724 C SER B 212 -3.158 7.051 -6.214 1.00 15.00 C ATOM 725 O SER B 212 -2.823 6.225 -5.363 1.00 15.00 O ATOM 726 CB SER B 212 -5.429 6.621 -7.213 1.00 15.00 C ATOM 727 OG SER B 212 -5.903 7.957 -7.150 1.00 15.00 O ATOM 0 H SER B 212 -3.861 4.545 -7.012 1.00 15.00 H new ATOM 0 HA SER B 212 -3.709 7.219 -8.298 1.00 15.00 H new ATOM 0 HB2 SER B 212 -5.936 6.091 -8.019 1.00 15.00 H new ATOM 0 HB3 SER B 212 -5.674 6.102 -6.286 1.00 15.00 H new ATOM 0 HG SER B 212 -6.872 7.954 -7.005 1.00 15.00 H new ATOM 733 N ARG B 213 -2.872 8.343 -6.105 1.00 15.00 N ATOM 734 CA ARG B 213 -2.077 8.821 -4.976 1.00 15.00 C ATOM 735 C ARG B 213 -2.805 8.479 -3.688 1.00 15.00 C ATOM 736 O ARG B 213 -2.215 7.966 -2.738 1.00 15.00 O ATOM 737 CB ARG B 213 -1.828 10.339 -5.019 1.00 15.00 C ATOM 738 CG ARG B 213 -1.690 10.934 -6.406 1.00 15.00 C ATOM 739 CD ARG B 213 -0.618 10.230 -7.225 1.00 15.00 C ATOM 740 NE ARG B 213 -0.692 10.582 -8.643 1.00 15.00 N ATOM 741 CZ ARG B 213 0.364 10.710 -9.445 1.00 15.00 C ATOM 742 NH1 ARG B 213 1.591 10.598 -8.957 1.00 15.00 N1+ ATOM 743 NH2 ARG B 213 0.186 10.960 -10.735 1.00 15.00 N ATOM 0 H ARG B 213 -3.168 9.063 -6.764 1.00 15.00 H new ATOM 0 HA ARG B 213 -1.105 8.331 -5.030 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -2.650 10.840 -4.507 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -0.921 10.558 -4.456 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -2.646 10.867 -6.926 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -1.446 11.993 -6.323 1.00 15.00 H new ATOM 0 HD2 ARG B 213 0.366 10.493 -6.837 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -0.726 9.151 -7.113 1.00 15.00 H new ATOM 0 HE ARG B 213 -1.616 10.740 -9.045 1.00 15.00 H new ATOM 0 HH11 ARG B 213 1.730 10.413 -7.964 1.00 15.00 H new ATOM 0 HH12 ARG B 213 2.397 10.697 -9.575 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -0.758 11.054 -11.111 1.00 15.00 H new ATOM 0 HH22 ARG B 213 0.993 11.059 -11.351 1.00 15.00 H new ATOM 757 N TYR B 214 -4.085 8.814 -3.661 1.00 15.00 N ATOM 758 CA TYR B 214 -4.956 8.453 -2.557 1.00 15.00 C ATOM 759 C TYR B 214 -6.104 7.602 -3.075 1.00 15.00 C ATOM 760 O TYR B 214 -7.139 8.112 -3.505 1.00 15.00 O ATOM 761 CB TYR B 214 -5.463 9.714 -1.844 1.00 15.00 C ATOM 762 CG TYR B 214 -4.362 10.724 -1.593 1.00 15.00 C ATOM 763 CD1 TYR B 214 -3.883 11.514 -2.631 1.00 15.00 C ATOM 764 CD2 TYR B 214 -3.780 10.867 -0.340 1.00 15.00 C ATOM 765 CE1 TYR B 214 -2.861 12.411 -2.437 1.00 15.00 C ATOM 766 CE2 TYR B 214 -2.758 11.773 -0.131 1.00 15.00 C ATOM 767 CZ TYR B 214 -2.300 12.542 -1.182 1.00 15.00 C ATOM 768 OH TYR B 214 -1.280 13.442 -0.977 1.00 15.00 O ATOM 0 H TYR B 214 -4.547 9.342 -4.401 1.00 15.00 H new ATOM 0 HA TYR B 214 -4.399 7.867 -1.826 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -6.246 10.177 -2.445 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -5.916 9.432 -0.894 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -4.324 11.421 -3.612 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -4.131 10.262 0.482 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -2.499 13.009 -3.260 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -2.319 11.879 0.850 1.00 15.00 H new ATOM 0 HH TYR B 214 -0.999 13.410 -0.039 1.00 15.00 H new ATOM 778 N PRO B 215 -5.891 6.291 -3.111 1.00 15.00 N ATOM 779 CA PRO B 215 -6.874 5.340 -3.603 1.00 15.00 C ATOM 780 C PRO B 215 -7.876 4.925 -2.529 1.00 15.00 C ATOM 781 O PRO B 215 -7.516 4.730 -1.370 1.00 15.00 O ATOM 782 CB PRO B 215 -6.011 4.155 -4.028 1.00 15.00 C ATOM 783 CG PRO B 215 -4.783 4.225 -3.174 1.00 15.00 C ATOM 784 CD PRO B 215 -4.648 5.635 -2.680 1.00 15.00 C ATOM 0 HA PRO B 215 -7.488 5.753 -4.404 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.538 3.213 -3.880 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -5.757 4.215 -5.086 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.861 3.532 -2.336 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -3.902 3.935 -3.747 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.536 5.668 -1.596 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -3.772 6.124 -3.106 1.00 15.00 H new ATOM 792 N MET B 216 -9.129 4.789 -2.922 1.00 15.00 N ATOM 793 CA MET B 216 -10.180 4.367 -2.004 1.00 15.00 C ATOM 794 C MET B 216 -10.875 3.122 -2.540 1.00 15.00 C ATOM 795 O MET B 216 -11.394 3.125 -3.660 1.00 15.00 O ATOM 796 CB MET B 216 -11.200 5.491 -1.811 1.00 15.00 C ATOM 797 CG MET B 216 -12.344 5.124 -0.877 1.00 15.00 C ATOM 798 SD MET B 216 -11.782 4.749 0.795 1.00 15.00 S ATOM 799 CE MET B 216 -13.329 4.297 1.575 1.00 15.00 C ATOM 0 H MET B 216 -9.448 4.965 -3.875 1.00 15.00 H new ATOM 0 HA MET B 216 -9.727 4.134 -1.040 1.00 15.00 H new ATOM 0 HB2 MET B 216 -10.689 6.370 -1.418 1.00 15.00 H new ATOM 0 HB3 MET B 216 -11.610 5.768 -2.782 1.00 15.00 H new ATOM 0 HG2 MET B 216 -13.057 5.948 -0.840 1.00 15.00 H new ATOM 0 HG3 MET B 216 -12.875 4.261 -1.280 1.00 15.00 H new ATOM 0 HE1 MET B 216 -13.148 4.037 2.618 1.00 15.00 H new ATOM 0 HE2 MET B 216 -14.021 5.138 1.525 1.00 15.00 H new ATOM 0 HE3 MET B 216 -13.761 3.441 1.057 1.00 15.00 H new ATOM 809 N ASP B 217 -10.882 2.060 -1.749 1.00 15.00 N ATOM 810 CA ASP B 217 -11.512 0.812 -2.156 1.00 15.00 C ATOM 811 C ASP B 217 -11.979 0.022 -0.939 1.00 15.00 C ATOM 812 O ASP B 217 -13.206 -0.088 -0.743 1.00 15.00 O ATOM 813 CB ASP B 217 -10.558 -0.031 -3.001 1.00 15.00 C ATOM 814 CG ASP B 217 -11.192 -1.324 -3.469 1.00 15.00 C ATOM 815 OD1 ASP B 217 -12.031 -1.284 -4.397 1.00 15.00 O ATOM 816 OD2 ASP B 217 -10.847 -2.391 -2.929 1.00 15.00 O1- ATOM 817 OXT ASP B 217 -11.121 -0.457 -0.168 1.00 15.00 O ATOM 0 H ASP B 217 -10.459 2.037 -0.821 1.00 15.00 H new ATOM 0 HA ASP B 217 -12.382 1.059 -2.764 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -10.236 0.547 -3.867 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -9.665 -0.257 -2.419 1.00 15.00 H new TER 822 ASP B 217