USER MOD reduce.3.24.130724 H: found=0, std=0, add=360, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 366 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 251 HIS :FLIP no HD1:sc= 0.357 F(o=-2.5,f=-1.5) USER MOD Set 1.2: B 211 TYR OH : rot 1:sc= -1.88! USER MOD Single : A 238 GLN : amide:sc= -1.85 K(o=-1.9,f=-2.7) USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 241 THR OG1 : rot 180:sc= 0 USER MOD Single : A 242 GLN :FLIP amide:sc= -0.0248 F(o=-3.2!,f=-0.025) USER MOD Single : A 247 TYR OH : rot 100:sc= -1.64! USER MOD Single : A 248 TYR OH : rot 150:sc= -2.9! USER MOD Single : A 250 ASN : amide:sc= -0.495 K(o=-0.49,f=-11!) USER MOD Single : A 252 LYS NZ :NH3+ 158:sc= 1.21 (180deg=0.736) USER MOD Single : A 253 ASN : amide:sc=-0.00399 K(o=-0.004,f=-3.1!) USER MOD Single : A 254 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0942) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 THR OG1 : rot -168:sc= 1.14 USER MOD Single : A 257 SER OG : rot -170:sc= -0.139 USER MOD Single : B 206 SER OG : rot 29:sc= 0.177 USER MOD Single : B 212 SER OG : rot 180:sc= 0.0118 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl 142:sc= -0.218 (180deg=-1.12) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 10.656 -0.405 -6.341 1.00 15.00 N ATOM 2 CA GLY A 230 11.935 -0.871 -5.758 1.00 15.00 C ATOM 3 C GLY A 230 11.726 -1.546 -4.420 1.00 15.00 C ATOM 4 O GLY A 230 10.614 -1.977 -4.114 1.00 15.00 O ATOM 0 HA2 GLY A 230 12.416 -1.567 -6.445 1.00 15.00 H new ATOM 0 HA3 GLY A 230 12.610 -0.024 -5.637 1.00 15.00 H new ATOM 10 N PRO A 231 12.781 -1.679 -3.606 1.00 15.00 N ATOM 11 CA PRO A 231 12.663 -2.215 -2.254 1.00 15.00 C ATOM 12 C PRO A 231 12.024 -1.199 -1.318 1.00 15.00 C ATOM 13 O PRO A 231 12.603 -0.150 -1.039 1.00 15.00 O ATOM 14 CB PRO A 231 14.113 -2.502 -1.832 1.00 15.00 C ATOM 15 CG PRO A 231 14.947 -2.272 -3.052 1.00 15.00 C ATOM 16 CD PRO A 231 14.166 -1.331 -3.928 1.00 15.00 C ATOM 0 HA PRO A 231 12.031 -3.102 -2.215 1.00 15.00 H new ATOM 0 HB2 PRO A 231 14.421 -1.845 -1.019 1.00 15.00 H new ATOM 0 HB3 PRO A 231 14.220 -3.525 -1.473 1.00 15.00 H new ATOM 0 HG2 PRO A 231 15.914 -1.844 -2.787 1.00 15.00 H new ATOM 0 HG3 PRO A 231 15.145 -3.210 -3.570 1.00 15.00 H new ATOM 0 HD2 PRO A 231 14.386 -0.288 -3.701 1.00 15.00 H new ATOM 0 HD3 PRO A 231 14.388 -1.481 -4.985 1.00 15.00 H new ATOM 24 N LEU A 232 10.822 -1.501 -0.849 1.00 15.00 N ATOM 25 CA LEU A 232 10.067 -0.556 -0.035 1.00 15.00 C ATOM 26 C LEU A 232 10.697 -0.386 1.339 1.00 15.00 C ATOM 27 O LEU A 232 11.467 -1.238 1.780 1.00 15.00 O ATOM 28 CB LEU A 232 8.584 -0.919 0.140 1.00 15.00 C ATOM 29 CG LEU A 232 7.639 -0.565 -1.012 1.00 15.00 C ATOM 30 CD1 LEU A 232 7.191 0.892 -1.023 1.00 15.00 C ATOM 31 CD2 LEU A 232 8.242 -0.942 -2.352 1.00 15.00 C ATOM 0 H LEU A 232 10.349 -2.389 -1.017 1.00 15.00 H new ATOM 0 HA LEU A 232 10.107 0.381 -0.591 1.00 15.00 H new ATOM 0 HB2 LEU A 232 8.517 -1.993 0.315 1.00 15.00 H new ATOM 0 HB3 LEU A 232 8.219 -0.426 1.041 1.00 15.00 H new ATOM 0 HG LEU A 232 6.741 -1.158 -0.840 1.00 15.00 H new ATOM 0 HD11 LEU A 232 6.525 1.061 -1.869 1.00 15.00 H new ATOM 0 HD12 LEU A 232 6.665 1.118 -0.096 1.00 15.00 H new ATOM 0 HD13 LEU A 232 8.063 1.540 -1.113 1.00 15.00 H new ATOM 0 HD21 LEU A 232 7.548 -0.679 -3.150 1.00 15.00 H new ATOM 0 HD22 LEU A 232 9.179 -0.404 -2.494 1.00 15.00 H new ATOM 0 HD23 LEU A 232 8.433 -2.015 -2.376 1.00 15.00 H new ATOM 43 N PRO A 233 10.357 0.712 2.043 1.00 15.00 N ATOM 44 CA PRO A 233 10.945 1.085 3.349 1.00 15.00 C ATOM 45 C PRO A 233 10.755 0.024 4.437 1.00 15.00 C ATOM 46 O PRO A 233 11.270 0.185 5.544 1.00 15.00 O ATOM 47 CB PRO A 233 10.150 2.347 3.692 1.00 15.00 C ATOM 48 CG PRO A 233 9.891 2.927 2.361 1.00 15.00 C ATOM 49 CD PRO A 233 9.362 1.737 1.639 1.00 15.00 C ATOM 0 HA PRO A 233 12.026 1.210 3.295 1.00 15.00 H new ATOM 0 HB2 PRO A 233 9.226 2.114 4.221 1.00 15.00 H new ATOM 0 HB3 PRO A 233 10.719 3.026 4.328 1.00 15.00 H new ATOM 0 HG2 PRO A 233 9.169 3.743 2.399 1.00 15.00 H new ATOM 0 HG3 PRO A 233 10.795 3.323 1.899 1.00 15.00 H new ATOM 0 HD2 PRO A 233 8.350 1.478 1.951 1.00 15.00 H new ATOM 0 HD3 PRO A 233 9.334 1.885 0.559 1.00 15.00 H new ATOM 57 N ASP A 234 9.936 -0.994 4.138 1.00 15.00 N ATOM 58 CA ASP A 234 9.698 -2.145 5.035 1.00 15.00 C ATOM 59 C ASP A 234 8.573 -1.845 6.001 1.00 15.00 C ATOM 60 O ASP A 234 8.320 -2.589 6.950 1.00 15.00 O ATOM 61 CB ASP A 234 10.961 -2.573 5.799 1.00 15.00 C ATOM 62 CG ASP A 234 12.005 -3.221 4.909 1.00 15.00 C ATOM 63 OD1 ASP A 234 11.740 -4.327 4.392 1.00 15.00 O ATOM 64 OD2 ASP A 234 13.095 -2.634 4.733 1.00 15.00 O1- ATOM 0 H ASP A 234 9.415 -1.047 3.263 1.00 15.00 H new ATOM 0 HA ASP A 234 9.411 -2.983 4.400 1.00 15.00 H new ATOM 0 HB2 ASP A 234 11.398 -1.700 6.285 1.00 15.00 H new ATOM 0 HB3 ASP A 234 10.682 -3.271 6.588 1.00 15.00 H new ATOM 69 N GLY A 235 7.884 -0.754 5.742 1.00 15.00 N ATOM 70 CA GLY A 235 6.700 -0.437 6.497 1.00 15.00 C ATOM 71 C GLY A 235 5.450 -0.951 5.815 1.00 15.00 C ATOM 72 O GLY A 235 4.455 -1.237 6.471 1.00 15.00 O ATOM 0 H GLY A 235 8.125 -0.078 5.018 1.00 15.00 H new ATOM 0 HA2 GLY A 235 6.776 -0.872 7.494 1.00 15.00 H new ATOM 0 HA3 GLY A 235 6.628 0.643 6.625 1.00 15.00 H new ATOM 76 N TRP A 236 5.515 -1.103 4.497 1.00 15.00 N ATOM 77 CA TRP A 236 4.328 -1.407 3.707 1.00 15.00 C ATOM 78 C TRP A 236 4.569 -2.409 2.590 1.00 15.00 C ATOM 79 O TRP A 236 5.648 -2.476 2.002 1.00 15.00 O ATOM 80 CB TRP A 236 3.697 -0.131 3.139 1.00 15.00 C ATOM 81 CG TRP A 236 4.634 1.010 2.858 1.00 15.00 C ATOM 82 CD1 TRP A 236 5.957 0.965 2.518 1.00 15.00 C ATOM 83 CD2 TRP A 236 4.286 2.398 2.903 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.437 2.235 2.360 1.00 15.00 N ATOM 85 CE2 TRP A 236 5.435 3.131 2.592 1.00 15.00 C ATOM 86 CE3 TRP A 236 3.106 3.085 3.181 1.00 15.00 C ATOM 87 CZ2 TRP A 236 5.444 4.523 2.555 1.00 15.00 C ATOM 88 CZ3 TRP A 236 3.112 4.466 3.143 1.00 15.00 C ATOM 89 CH2 TRP A 236 4.276 5.174 2.834 1.00 15.00 C ATOM 0 H TRP A 236 6.375 -1.021 3.954 1.00 15.00 H new ATOM 0 HA TRP A 236 3.635 -1.879 4.403 1.00 15.00 H new ATOM 0 HB2 TRP A 236 3.183 -0.387 2.212 1.00 15.00 H new ATOM 0 HB3 TRP A 236 2.937 0.215 3.840 1.00 15.00 H new ATOM 0 HD1 TRP A 236 6.536 0.062 2.393 1.00 15.00 H new ATOM 0 HE1 TRP A 236 7.396 2.475 2.108 1.00 15.00 H new ATOM 0 HE3 TRP A 236 2.201 2.547 3.422 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 6.344 5.069 2.314 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 2.202 5.007 3.356 1.00 15.00 H new ATOM 0 HH2 TRP A 236 4.252 6.254 2.815 1.00 15.00 H new ATOM 100 N GLU A 237 3.505 -3.149 2.291 1.00 15.00 N ATOM 101 CA GLU A 237 3.515 -4.189 1.278 1.00 15.00 C ATOM 102 C GLU A 237 2.500 -3.774 0.203 1.00 15.00 C ATOM 103 O GLU A 237 1.467 -3.184 0.531 1.00 15.00 O ATOM 104 CB GLU A 237 3.091 -5.507 1.944 1.00 15.00 C ATOM 105 CG GLU A 237 3.690 -6.773 1.342 1.00 15.00 C ATOM 106 CD GLU A 237 3.481 -6.939 -0.149 1.00 15.00 C ATOM 107 OE1 GLU A 237 4.254 -6.347 -0.932 1.00 15.00 O ATOM 108 OE2 GLU A 237 2.569 -7.694 -0.546 1.00 15.00 O1- ATOM 0 H GLU A 237 2.603 -3.038 2.754 1.00 15.00 H new ATOM 0 HA GLU A 237 4.499 -4.323 0.829 1.00 15.00 H new ATOM 0 HB2 GLU A 237 3.363 -5.464 2.999 1.00 15.00 H new ATOM 0 HB3 GLU A 237 2.005 -5.583 1.898 1.00 15.00 H new ATOM 0 HG2 GLU A 237 4.761 -6.782 1.546 1.00 15.00 H new ATOM 0 HG3 GLU A 237 3.262 -7.636 1.851 1.00 15.00 H new ATOM 115 N GLN A 238 2.761 -4.096 -1.057 1.00 15.00 N ATOM 116 CA GLN A 238 1.911 -3.622 -2.145 1.00 15.00 C ATOM 117 C GLN A 238 0.774 -4.606 -2.420 1.00 15.00 C ATOM 118 O GLN A 238 0.984 -5.650 -3.033 1.00 15.00 O ATOM 119 CB GLN A 238 2.728 -3.416 -3.429 1.00 15.00 C ATOM 120 CG GLN A 238 1.912 -2.883 -4.593 1.00 15.00 C ATOM 121 CD GLN A 238 1.864 -1.372 -4.626 1.00 15.00 C ATOM 122 OE1 GLN A 238 2.685 -0.733 -5.280 1.00 15.00 O ATOM 123 NE2 GLN A 238 0.917 -0.791 -3.913 1.00 15.00 N ATOM 0 H GLN A 238 3.546 -4.677 -1.351 1.00 15.00 H new ATOM 0 HA GLN A 238 1.487 -2.667 -1.835 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.545 -2.724 -3.222 1.00 15.00 H new ATOM 0 HB3 GLN A 238 3.180 -4.365 -3.718 1.00 15.00 H new ATOM 0 HG2 GLN A 238 2.336 -3.250 -5.528 1.00 15.00 H new ATOM 0 HG3 GLN A 238 0.896 -3.274 -4.529 1.00 15.00 H new ATOM 0 HE21 GLN A 238 0.255 -1.359 -3.384 1.00 15.00 H new ATOM 0 HE22 GLN A 238 0.847 0.226 -3.891 1.00 15.00 H new ATOM 132 N ALA A 239 -0.424 -4.286 -1.945 1.00 15.00 N ATOM 133 CA ALA A 239 -1.596 -5.108 -2.200 1.00 15.00 C ATOM 134 C ALA A 239 -2.359 -4.558 -3.398 1.00 15.00 C ATOM 135 O ALA A 239 -2.312 -3.360 -3.670 1.00 15.00 O ATOM 136 CB ALA A 239 -2.485 -5.163 -0.968 1.00 15.00 C ATOM 0 H ALA A 239 -0.607 -3.458 -1.378 1.00 15.00 H new ATOM 0 HA ALA A 239 -1.276 -6.125 -2.428 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -3.357 -5.782 -1.176 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -1.927 -5.591 -0.135 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.809 -4.155 -0.708 1.00 15.00 H new ATOM 142 N MET A 240 -3.034 -5.428 -4.129 1.00 15.00 N ATOM 143 CA MET A 240 -3.691 -5.026 -5.365 1.00 15.00 C ATOM 144 C MET A 240 -5.200 -5.207 -5.278 1.00 15.00 C ATOM 145 O MET A 240 -5.686 -6.264 -4.871 1.00 15.00 O ATOM 146 CB MET A 240 -3.152 -5.849 -6.539 1.00 15.00 C ATOM 147 CG MET A 240 -1.653 -5.715 -6.747 1.00 15.00 C ATOM 148 SD MET A 240 -1.065 -6.644 -8.178 1.00 15.00 S ATOM 149 CE MET A 240 0.684 -6.258 -8.140 1.00 15.00 C ATOM 0 H MET A 240 -3.143 -6.414 -3.891 1.00 15.00 H new ATOM 0 HA MET A 240 -3.478 -3.969 -5.523 1.00 15.00 H new ATOM 0 HB2 MET A 240 -3.394 -6.899 -6.375 1.00 15.00 H new ATOM 0 HB3 MET A 240 -3.664 -5.542 -7.451 1.00 15.00 H new ATOM 0 HG2 MET A 240 -1.400 -4.662 -6.873 1.00 15.00 H new ATOM 0 HG3 MET A 240 -1.134 -6.063 -5.854 1.00 15.00 H new ATOM 0 HE1 MET A 240 1.186 -6.761 -8.966 1.00 15.00 H new ATOM 0 HE2 MET A 240 0.821 -5.181 -8.234 1.00 15.00 H new ATOM 0 HE3 MET A 240 1.111 -6.597 -7.196 1.00 15.00 H new ATOM 159 N THR A 241 -5.943 -4.180 -5.672 1.00 15.00 N ATOM 160 CA THR A 241 -7.381 -4.310 -5.801 1.00 15.00 C ATOM 161 C THR A 241 -7.743 -4.504 -7.269 1.00 15.00 C ATOM 162 O THR A 241 -7.182 -3.841 -8.154 1.00 15.00 O ATOM 163 CB THR A 241 -8.151 -3.103 -5.204 1.00 15.00 C ATOM 164 OG1 THR A 241 -9.564 -3.309 -5.335 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.774 -1.793 -5.881 1.00 15.00 C ATOM 0 H THR A 241 -5.574 -3.258 -5.905 1.00 15.00 H new ATOM 0 HA THR A 241 -7.685 -5.183 -5.224 1.00 15.00 H new ATOM 0 HB THR A 241 -7.875 -3.033 -4.152 1.00 15.00 H new ATOM 0 HG1 THR A 241 -10.043 -2.543 -4.954 1.00 15.00 H new ATOM 0 HG21 THR A 241 -8.337 -0.976 -5.431 1.00 15.00 H new ATOM 0 HG22 THR A 241 -6.707 -1.612 -5.754 1.00 15.00 H new ATOM 0 HG23 THR A 241 -8.007 -1.852 -6.944 1.00 15.00 H new ATOM 173 N GLN A 242 -8.676 -5.421 -7.520 1.00 15.00 N ATOM 174 CA GLN A 242 -9.078 -5.782 -8.880 1.00 15.00 C ATOM 175 C GLN A 242 -9.692 -4.589 -9.615 1.00 15.00 C ATOM 176 O GLN A 242 -9.925 -4.640 -10.822 1.00 15.00 O ATOM 177 CB GLN A 242 -10.060 -6.958 -8.854 1.00 15.00 C ATOM 178 CG GLN A 242 -10.270 -7.605 -10.216 1.00 15.00 C ATOM 179 CD GLN A 242 -11.191 -8.811 -10.168 1.00 15.00 C ATOM 180 OE1 GLN A 242 -12.167 -8.783 -9.274 1.00 15.00 O flip ATOM 181 NE2 GLN A 242 -11.030 -9.756 -10.938 1.00 15.00 N flip ATOM 0 H GLN A 242 -9.173 -5.933 -6.791 1.00 15.00 H new ATOM 0 HA GLN A 242 -8.183 -6.084 -9.423 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -9.694 -7.711 -8.156 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -11.021 -6.610 -8.474 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -10.684 -6.866 -10.902 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -9.304 -7.909 -10.620 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -10.265 -9.739 -11.613 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -11.661 -10.557 -10.902 1.00 15.00 H new ATOM 190 N ASP A 243 -9.953 -3.514 -8.878 1.00 15.00 N ATOM 191 CA ASP A 243 -10.476 -2.289 -9.467 1.00 15.00 C ATOM 192 C ASP A 243 -9.413 -1.624 -10.346 1.00 15.00 C ATOM 193 O ASP A 243 -9.682 -0.640 -11.032 1.00 15.00 O ATOM 194 CB ASP A 243 -10.950 -1.329 -8.371 1.00 15.00 C ATOM 195 CG ASP A 243 -11.781 -0.185 -8.919 1.00 15.00 C ATOM 196 OD1 ASP A 243 -12.857 -0.454 -9.493 1.00 15.00 O ATOM 197 OD2 ASP A 243 -11.382 0.983 -8.749 1.00 15.00 O1- ATOM 0 H ASP A 243 -9.810 -3.468 -7.869 1.00 15.00 H new ATOM 0 HA ASP A 243 -11.331 -2.542 -10.094 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -11.538 -1.882 -7.638 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -10.084 -0.926 -7.847 1.00 15.00 H new ATOM 202 N GLY A 244 -8.204 -2.177 -10.327 1.00 15.00 N ATOM 203 CA GLY A 244 -7.158 -1.718 -11.225 1.00 15.00 C ATOM 204 C GLY A 244 -6.142 -0.798 -10.573 1.00 15.00 C ATOM 205 O GLY A 244 -5.433 -0.072 -11.270 1.00 15.00 O ATOM 0 H GLY A 244 -7.929 -2.937 -9.704 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -6.638 -2.585 -11.633 1.00 15.00 H new ATOM 0 HA3 GLY A 244 -7.618 -1.197 -12.065 1.00 15.00 H new ATOM 209 N GLU A 245 -6.040 -0.836 -9.251 1.00 15.00 N ATOM 210 CA GLU A 245 -5.113 0.039 -8.539 1.00 15.00 C ATOM 211 C GLU A 245 -4.400 -0.725 -7.432 1.00 15.00 C ATOM 212 O GLU A 245 -4.947 -1.667 -6.858 1.00 15.00 O ATOM 213 CB GLU A 245 -5.841 1.260 -7.965 1.00 15.00 C ATOM 214 CG GLU A 245 -6.350 2.221 -9.030 1.00 15.00 C ATOM 215 CD GLU A 245 -6.904 3.507 -8.454 1.00 15.00 C ATOM 216 OE1 GLU A 245 -6.115 4.450 -8.238 1.00 15.00 O1- ATOM 217 OE2 GLU A 245 -8.129 3.589 -8.235 1.00 15.00 O ATOM 0 H GLU A 245 -6.583 -1.458 -8.652 1.00 15.00 H new ATOM 0 HA GLU A 245 -4.368 0.393 -9.252 1.00 15.00 H new ATOM 0 HB2 GLU A 245 -6.683 0.920 -7.362 1.00 15.00 H new ATOM 0 HB3 GLU A 245 -5.165 1.795 -7.297 1.00 15.00 H new ATOM 0 HG2 GLU A 245 -5.537 2.458 -9.716 1.00 15.00 H new ATOM 0 HG3 GLU A 245 -7.126 1.728 -9.615 1.00 15.00 H new ATOM 224 N ILE A 246 -3.177 -0.315 -7.131 1.00 15.00 N ATOM 225 CA ILE A 246 -2.384 -0.975 -6.107 1.00 15.00 C ATOM 226 C ILE A 246 -2.150 -0.029 -4.934 1.00 15.00 C ATOM 227 O ILE A 246 -1.969 1.171 -5.122 1.00 15.00 O ATOM 228 CB ILE A 246 -1.038 -1.477 -6.680 1.00 15.00 C ATOM 229 CG1 ILE A 246 -0.122 -0.302 -7.057 1.00 15.00 C ATOM 230 CG2 ILE A 246 -1.286 -2.378 -7.884 1.00 15.00 C ATOM 231 CD1 ILE A 246 0.981 -0.673 -8.028 1.00 15.00 C ATOM 0 H ILE A 246 -2.712 0.473 -7.582 1.00 15.00 H new ATOM 0 HA ILE A 246 -2.938 -1.844 -5.753 1.00 15.00 H new ATOM 0 HB ILE A 246 -0.531 -2.055 -5.908 1.00 15.00 H new ATOM 0 HG12 ILE A 246 -0.727 0.492 -7.495 1.00 15.00 H new ATOM 0 HG13 ILE A 246 0.326 0.103 -6.150 1.00 15.00 H new ATOM 0 HG21 ILE A 246 -0.332 -2.726 -8.280 1.00 15.00 H new ATOM 0 HG22 ILE A 246 -1.887 -3.235 -7.580 1.00 15.00 H new ATOM 0 HG23 ILE A 246 -1.816 -1.818 -8.654 1.00 15.00 H new ATOM 0 HD11 ILE A 246 1.585 0.208 -8.246 1.00 15.00 H new ATOM 0 HD12 ILE A 246 1.611 -1.445 -7.586 1.00 15.00 H new ATOM 0 HD13 ILE A 246 0.541 -1.049 -8.952 1.00 15.00 H new ATOM 243 N TYR A 247 -2.179 -0.570 -3.727 1.00 15.00 N ATOM 244 CA TYR A 247 -2.070 0.237 -2.524 1.00 15.00 C ATOM 245 C TYR A 247 -1.102 -0.410 -1.524 1.00 15.00 C ATOM 246 O TYR A 247 -1.093 -1.630 -1.367 1.00 15.00 O ATOM 247 CB TYR A 247 -3.460 0.407 -1.891 1.00 15.00 C ATOM 248 CG TYR A 247 -4.170 -0.899 -1.589 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.842 -1.595 -2.588 1.00 15.00 C ATOM 250 CD2 TYR A 247 -4.161 -1.438 -0.308 1.00 15.00 C ATOM 251 CE1 TYR A 247 -5.482 -2.790 -2.320 1.00 15.00 C ATOM 252 CE2 TYR A 247 -4.797 -2.636 -0.033 1.00 15.00 C ATOM 253 CZ TYR A 247 -5.456 -3.306 -1.043 1.00 15.00 C ATOM 254 OH TYR A 247 -6.084 -4.502 -0.776 1.00 15.00 O ATOM 0 H TYR A 247 -2.278 -1.570 -3.555 1.00 15.00 H new ATOM 0 HA TYR A 247 -1.675 1.217 -2.790 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -3.359 0.975 -0.966 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -4.082 0.999 -2.562 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -4.864 -1.195 -3.591 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -3.649 -0.914 0.486 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -6.000 -3.317 -3.108 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.778 -3.044 0.967 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.420 -5.223 -0.756 1.00 15.00 H new ATOM 264 N TYR A 248 -0.291 0.399 -0.853 1.00 15.00 N ATOM 265 CA TYR A 248 0.638 -0.100 0.148 1.00 15.00 C ATOM 266 C TYR A 248 0.003 -0.094 1.529 1.00 15.00 C ATOM 267 O TYR A 248 -0.439 0.948 2.015 1.00 15.00 O ATOM 268 CB TYR A 248 1.917 0.744 0.173 1.00 15.00 C ATOM 269 CG TYR A 248 2.916 0.348 -0.880 1.00 15.00 C ATOM 270 CD1 TYR A 248 3.729 -0.759 -0.693 1.00 15.00 C ATOM 271 CD2 TYR A 248 3.044 1.066 -2.060 1.00 15.00 C ATOM 272 CE1 TYR A 248 4.633 -1.146 -1.656 1.00 15.00 C ATOM 273 CE2 TYR A 248 3.947 0.681 -3.027 1.00 15.00 C ATOM 274 CZ TYR A 248 4.733 -0.425 -2.823 1.00 15.00 C ATOM 275 OH TYR A 248 5.623 -0.812 -3.795 1.00 15.00 O ATOM 0 H TYR A 248 -0.260 1.410 -0.987 1.00 15.00 H new ATOM 0 HA TYR A 248 0.892 -1.125 -0.122 1.00 15.00 H new ATOM 0 HB2 TYR A 248 1.654 1.793 0.037 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.382 0.657 1.155 1.00 15.00 H new ATOM 0 HD1 TYR A 248 3.652 -1.327 0.223 1.00 15.00 H new ATOM 0 HD2 TYR A 248 2.428 1.938 -2.223 1.00 15.00 H new ATOM 0 HE1 TYR A 248 5.260 -2.011 -1.496 1.00 15.00 H new ATOM 0 HE2 TYR A 248 4.036 1.248 -3.942 1.00 15.00 H new ATOM 0 HH TYR A 248 5.277 -0.557 -4.676 1.00 15.00 H new ATOM 285 N ILE A 249 -0.034 -1.261 2.157 1.00 15.00 N ATOM 286 CA ILE A 249 -0.507 -1.376 3.526 1.00 15.00 C ATOM 287 C ILE A 249 0.658 -1.204 4.493 1.00 15.00 C ATOM 288 O ILE A 249 1.496 -2.098 4.635 1.00 15.00 O ATOM 289 CB ILE A 249 -1.208 -2.733 3.786 1.00 15.00 C ATOM 290 CG1 ILE A 249 -0.385 -3.893 3.215 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.602 -2.733 3.186 1.00 15.00 C ATOM 292 CD1 ILE A 249 -0.971 -5.258 3.504 1.00 15.00 C ATOM 0 H ILE A 249 0.259 -2.143 1.737 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.242 -0.588 3.687 1.00 15.00 H new ATOM 0 HB ILE A 249 -1.290 -2.870 4.864 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -0.297 -3.767 2.136 1.00 15.00 H new ATOM 0 HG13 ILE A 249 0.624 -3.847 3.625 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.081 -3.693 3.378 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.193 -1.937 3.638 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.535 -2.569 2.110 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -0.333 -6.027 3.069 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -1.034 -5.406 4.582 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -1.969 -5.325 3.070 1.00 15.00 H new ATOM 304 N ASN A 250 0.721 -0.056 5.155 1.00 15.00 N ATOM 305 CA ASN A 250 1.846 0.238 6.031 1.00 15.00 C ATOM 306 C ASN A 250 1.543 -0.266 7.451 1.00 15.00 C ATOM 307 O ASN A 250 0.657 0.278 8.112 1.00 15.00 O ATOM 308 CB ASN A 250 2.133 1.746 6.061 1.00 15.00 C ATOM 309 CG ASN A 250 3.436 2.096 6.766 1.00 15.00 C ATOM 310 OD1 ASN A 250 3.878 1.403 7.679 1.00 15.00 O ATOM 311 ND2 ASN A 250 4.061 3.186 6.342 1.00 15.00 N ATOM 0 H ASN A 250 0.015 0.679 5.103 1.00 15.00 H new ATOM 0 HA ASN A 250 2.729 -0.272 5.646 1.00 15.00 H new ATOM 0 HB2 ASN A 250 2.168 2.123 5.039 1.00 15.00 H new ATOM 0 HB3 ASN A 250 1.309 2.256 6.560 1.00 15.00 H new ATOM 0 HD21 ASN A 250 4.938 3.473 6.777 1.00 15.00 H new ATOM 0 HD22 ASN A 250 3.665 3.738 5.581 1.00 15.00 H new ATOM 318 N HIS A 251 2.258 -1.300 7.925 1.00 15.00 N ATOM 319 CA HIS A 251 1.974 -1.898 9.217 1.00 15.00 C ATOM 320 C HIS A 251 2.656 -1.113 10.329 1.00 15.00 C ATOM 321 O HIS A 251 2.266 -1.191 11.494 1.00 15.00 O ATOM 322 CB HIS A 251 2.462 -3.354 9.252 1.00 15.00 C ATOM 323 CG HIS A 251 1.956 -4.204 8.122 1.00 15.00 C ATOM 324 ND1 HIS A 251 0.754 -4.796 7.926 1.00 15.00 N flip ATOM 325 CD2 HIS A 251 2.728 -4.543 7.027 1.00 15.00 C flip ATOM 326 CE1 HIS A 251 0.822 -5.472 6.732 1.00 15.00 C flip ATOM 327 NE2 HIS A 251 2.024 -5.300 6.212 1.00 15.00 N flip ATOM 0 H HIS A 251 3.035 -1.731 7.424 1.00 15.00 H new ATOM 0 HA HIS A 251 0.895 -1.875 9.371 1.00 15.00 H new ATOM 0 HB2 HIS A 251 3.552 -3.360 9.235 1.00 15.00 H new ATOM 0 HB3 HIS A 251 2.155 -3.805 10.196 1.00 15.00 H new ATOM 0 HD2 HIS A 251 3.750 -4.235 6.865 1.00 15.00 H new ATOM 0 HE1 HIS A 251 0.023 -6.050 6.291 1.00 15.00 H new ATOM 0 HE2 HIS A 251 2.352 -5.688 5.328 1.00 15.00 H new ATOM 336 N LYS A 252 3.694 -0.375 9.959 1.00 15.00 N ATOM 337 CA LYS A 252 4.486 0.373 10.930 1.00 15.00 C ATOM 338 C LYS A 252 3.869 1.745 11.219 1.00 15.00 C ATOM 339 O LYS A 252 4.063 2.306 12.297 1.00 15.00 O ATOM 340 CB LYS A 252 5.921 0.542 10.417 1.00 15.00 C ATOM 341 CG LYS A 252 6.542 -0.755 9.914 1.00 15.00 C ATOM 342 CD LYS A 252 6.659 -1.793 11.016 1.00 15.00 C ATOM 343 CE LYS A 252 6.977 -3.173 10.459 1.00 15.00 C ATOM 344 NZ LYS A 252 8.227 -3.188 9.655 1.00 15.00 N1+ ATOM 0 H LYS A 252 4.008 -0.277 8.994 1.00 15.00 H new ATOM 0 HA LYS A 252 4.497 -0.193 11.861 1.00 15.00 H new ATOM 0 HB2 LYS A 252 5.926 1.275 9.610 1.00 15.00 H new ATOM 0 HB3 LYS A 252 6.540 0.945 11.218 1.00 15.00 H new ATOM 0 HG2 LYS A 252 5.937 -1.156 9.101 1.00 15.00 H new ATOM 0 HG3 LYS A 252 7.530 -0.549 9.504 1.00 15.00 H new ATOM 0 HD2 LYS A 252 7.440 -1.494 11.716 1.00 15.00 H new ATOM 0 HD3 LYS A 252 5.726 -1.834 11.578 1.00 15.00 H new ATOM 0 HE2 LYS A 252 7.070 -3.881 11.282 1.00 15.00 H new ATOM 0 HE3 LYS A 252 6.146 -3.512 9.840 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 8.601 -4.157 9.613 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 8.024 -2.853 8.691 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 8.932 -2.564 10.097 1.00 15.00 H new ATOM 358 N ASN A 253 3.156 2.295 10.241 1.00 15.00 N ATOM 359 CA ASN A 253 2.537 3.608 10.392 1.00 15.00 C ATOM 360 C ASN A 253 1.016 3.505 10.391 1.00 15.00 C ATOM 361 O ASN A 253 0.330 4.491 10.650 1.00 15.00 O ATOM 362 CB ASN A 253 2.985 4.553 9.270 1.00 15.00 C ATOM 363 CG ASN A 253 4.429 5.006 9.401 1.00 15.00 C ATOM 364 OD1 ASN A 253 5.268 4.318 9.982 1.00 15.00 O ATOM 365 ND2 ASN A 253 4.733 6.164 8.838 1.00 15.00 N ATOM 0 H ASN A 253 2.993 1.853 9.336 1.00 15.00 H new ATOM 0 HA ASN A 253 2.860 4.011 11.352 1.00 15.00 H new ATOM 0 HB2 ASN A 253 2.855 4.053 8.310 1.00 15.00 H new ATOM 0 HB3 ASN A 253 2.337 5.429 9.263 1.00 15.00 H new ATOM 0 HD21 ASN A 253 5.690 6.514 8.877 1.00 15.00 H new ATOM 0 HD22 ASN A 253 4.010 6.706 8.365 1.00 15.00 H new ATOM 372 N LYS A 254 0.500 2.313 10.079 1.00 15.00 N ATOM 373 CA LYS A 254 -0.945 2.069 10.038 1.00 15.00 C ATOM 374 C LYS A 254 -1.627 3.033 9.056 1.00 15.00 C ATOM 375 O LYS A 254 -2.625 3.681 9.378 1.00 15.00 O ATOM 376 CB LYS A 254 -1.545 2.201 11.449 1.00 15.00 C ATOM 377 CG LYS A 254 -3.012 1.798 11.555 1.00 15.00 C ATOM 378 CD LYS A 254 -3.572 2.066 12.945 1.00 15.00 C ATOM 379 CE LYS A 254 -3.512 3.546 13.304 1.00 15.00 C ATOM 380 NZ LYS A 254 -4.339 4.386 12.395 1.00 15.00 N1+ ATOM 0 H LYS A 254 1.066 1.496 9.849 1.00 15.00 H new ATOM 0 HA LYS A 254 -1.120 1.053 9.685 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -0.963 1.587 12.136 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -1.441 3.235 11.779 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -3.595 2.348 10.816 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -3.116 0.739 11.319 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -4.605 1.722 12.993 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -3.010 1.491 13.680 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -3.853 3.682 14.330 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -2.477 3.885 13.265 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -4.389 5.356 12.768 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -3.909 4.400 11.448 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -5.298 3.990 12.333 1.00 15.00 H new ATOM 394 N THR A 255 -1.088 3.114 7.846 1.00 15.00 N ATOM 395 CA THR A 255 -1.598 4.048 6.848 1.00 15.00 C ATOM 396 C THR A 255 -1.487 3.453 5.440 1.00 15.00 C ATOM 397 O THR A 255 -0.613 2.626 5.183 1.00 15.00 O ATOM 398 CB THR A 255 -0.849 5.402 6.907 1.00 15.00 C ATOM 399 OG1 THR A 255 -1.432 6.342 5.992 1.00 15.00 O ATOM 400 CG2 THR A 255 0.627 5.225 6.583 1.00 15.00 C ATOM 0 H THR A 255 -0.301 2.547 7.532 1.00 15.00 H new ATOM 0 HA THR A 255 -2.649 4.227 7.076 1.00 15.00 H new ATOM 0 HB THR A 255 -0.941 5.786 7.923 1.00 15.00 H new ATOM 0 HG1 THR A 255 -0.948 7.192 6.044 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.129 6.191 6.632 1.00 15.00 H new ATOM 0 HG22 THR A 255 1.079 4.545 7.305 1.00 15.00 H new ATOM 0 HG23 THR A 255 0.732 4.812 5.580 1.00 15.00 H new ATOM 408 N THR A 256 -2.390 3.839 4.543 1.00 15.00 N ATOM 409 CA THR A 256 -2.336 3.368 3.168 1.00 15.00 C ATOM 410 C THR A 256 -1.769 4.458 2.254 1.00 15.00 C ATOM 411 O THR A 256 -2.042 5.644 2.445 1.00 15.00 O ATOM 412 CB THR A 256 -3.736 2.963 2.663 1.00 15.00 C ATOM 413 OG1 THR A 256 -4.521 2.446 3.748 1.00 15.00 O ATOM 414 CG2 THR A 256 -3.628 1.902 1.579 1.00 15.00 C ATOM 0 H THR A 256 -3.163 4.473 4.745 1.00 15.00 H new ATOM 0 HA THR A 256 -1.686 2.493 3.144 1.00 15.00 H new ATOM 0 HB THR A 256 -4.217 3.850 2.250 1.00 15.00 H new ATOM 0 HG1 THR A 256 -5.329 2.020 3.393 1.00 15.00 H new ATOM 0 HG21 THR A 256 -4.626 1.630 1.236 1.00 15.00 H new ATOM 0 HG22 THR A 256 -3.051 2.295 0.742 1.00 15.00 H new ATOM 0 HG23 THR A 256 -3.129 1.020 1.981 1.00 15.00 H new ATOM 422 N SER A 257 -0.956 4.055 1.288 1.00 15.00 N ATOM 423 CA SER A 257 -0.403 4.976 0.301 1.00 15.00 C ATOM 424 C SER A 257 -0.223 4.247 -1.026 1.00 15.00 C ATOM 425 O SER A 257 0.247 3.122 -1.045 1.00 15.00 O ATOM 426 CB SER A 257 0.927 5.541 0.801 1.00 15.00 C ATOM 427 OG SER A 257 0.753 6.193 2.051 1.00 15.00 O ATOM 0 H SER A 257 -0.661 3.086 1.165 1.00 15.00 H new ATOM 0 HA SER A 257 -1.089 5.810 0.151 1.00 15.00 H new ATOM 0 HB2 SER A 257 1.655 4.736 0.902 1.00 15.00 H new ATOM 0 HB3 SER A 257 1.328 6.244 0.070 1.00 15.00 H new ATOM 0 HG SER A 257 1.570 6.682 2.281 1.00 15.00 H new ATOM 433 N TRP A 258 -0.575 4.901 -2.127 1.00 15.00 N ATOM 434 CA TRP A 258 -0.702 4.230 -3.424 1.00 15.00 C ATOM 435 C TRP A 258 0.598 3.569 -3.909 1.00 15.00 C ATOM 436 O TRP A 258 0.701 2.340 -3.932 1.00 15.00 O ATOM 437 CB TRP A 258 -1.207 5.217 -4.480 1.00 15.00 C ATOM 438 CG TRP A 258 -2.645 5.613 -4.306 1.00 15.00 C ATOM 439 CD1 TRP A 258 -3.129 6.851 -3.984 1.00 15.00 C ATOM 440 CD2 TRP A 258 -3.791 4.763 -4.449 1.00 15.00 C ATOM 441 NE1 TRP A 258 -4.502 6.823 -3.935 1.00 15.00 N ATOM 442 CE2 TRP A 258 -4.930 5.552 -4.214 1.00 15.00 C ATOM 443 CE3 TRP A 258 -3.964 3.412 -4.759 1.00 15.00 C ATOM 444 CZ2 TRP A 258 -6.222 5.035 -4.279 1.00 15.00 C ATOM 445 CZ3 TRP A 258 -5.247 2.899 -4.820 1.00 15.00 C ATOM 446 CH2 TRP A 258 -6.360 3.711 -4.582 1.00 15.00 C ATOM 0 H TRP A 258 -0.779 5.900 -2.151 1.00 15.00 H new ATOM 0 HA TRP A 258 -1.423 3.425 -3.280 1.00 15.00 H new ATOM 0 HB2 TRP A 258 -0.588 6.113 -4.451 1.00 15.00 H new ATOM 0 HB3 TRP A 258 -1.080 4.774 -5.468 1.00 15.00 H new ATOM 0 HD1 TRP A 258 -2.521 7.723 -3.796 1.00 15.00 H new ATOM 0 HE1 TRP A 258 -5.104 7.619 -3.725 1.00 15.00 H new ATOM 0 HE3 TRP A 258 -3.110 2.778 -4.948 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -7.084 5.660 -4.096 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -5.391 1.855 -5.055 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -7.349 3.282 -4.639 1.00 15.00 H new ATOM 457 N LEU A 259 1.590 4.371 -4.282 1.00 15.00 N ATOM 458 CA LEU A 259 2.760 3.848 -4.985 1.00 15.00 C ATOM 459 C LEU A 259 4.062 4.026 -4.218 1.00 15.00 C ATOM 460 O LEU A 259 4.164 4.862 -3.321 1.00 15.00 O ATOM 461 CB LEU A 259 2.880 4.465 -6.376 1.00 15.00 C ATOM 462 CG LEU A 259 2.139 3.692 -7.465 1.00 15.00 C ATOM 463 CD1 LEU A 259 2.335 4.356 -8.819 1.00 15.00 C ATOM 464 CD2 LEU A 259 2.623 2.246 -7.496 1.00 15.00 C ATOM 0 H LEU A 259 1.610 5.377 -4.112 1.00 15.00 H new ATOM 0 HA LEU A 259 2.596 2.774 -5.075 1.00 15.00 H new ATOM 0 HB2 LEU A 259 2.497 5.485 -6.344 1.00 15.00 H new ATOM 0 HB3 LEU A 259 3.935 4.529 -6.644 1.00 15.00 H new ATOM 0 HG LEU A 259 1.073 3.698 -7.239 1.00 15.00 H new ATOM 0 HD11 LEU A 259 1.800 3.791 -9.582 1.00 15.00 H new ATOM 0 HD12 LEU A 259 1.949 5.375 -8.784 1.00 15.00 H new ATOM 0 HD13 LEU A 259 3.397 4.379 -9.063 1.00 15.00 H new ATOM 0 HD21 LEU A 259 2.090 1.701 -8.275 1.00 15.00 H new ATOM 0 HD22 LEU A 259 3.693 2.225 -7.705 1.00 15.00 H new ATOM 0 HD23 LEU A 259 2.433 1.778 -6.530 1.00 15.00 H new ATOM 476 N ASP A 260 5.049 3.219 -4.618 1.00 15.00 N ATOM 477 CA ASP A 260 6.357 3.141 -3.961 1.00 15.00 C ATOM 478 C ASP A 260 7.090 4.481 -3.964 1.00 15.00 C ATOM 479 O ASP A 260 7.513 4.976 -5.012 1.00 15.00 O ATOM 480 CB ASP A 260 7.209 2.074 -4.664 1.00 15.00 C ATOM 481 CG ASP A 260 8.655 2.045 -4.197 1.00 15.00 C ATOM 482 OD1 ASP A 260 8.926 2.466 -3.057 1.00 15.00 O ATOM 483 OD2 ASP A 260 9.522 1.579 -4.973 1.00 15.00 O1- ATOM 0 H ASP A 260 4.961 2.593 -5.418 1.00 15.00 H new ATOM 0 HA ASP A 260 6.193 2.870 -2.918 1.00 15.00 H new ATOM 0 HB2 ASP A 260 6.762 1.095 -4.495 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.187 2.253 -5.739 1.00 15.00 H new ATOM 488 N PRO A 261 7.226 5.087 -2.778 1.00 15.00 N ATOM 489 CA PRO A 261 7.935 6.351 -2.594 1.00 15.00 C ATOM 490 C PRO A 261 9.453 6.183 -2.526 1.00 15.00 C ATOM 491 O PRO A 261 10.193 7.166 -2.547 1.00 15.00 O ATOM 492 CB PRO A 261 7.392 6.861 -1.262 1.00 15.00 C ATOM 493 CG PRO A 261 7.033 5.635 -0.493 1.00 15.00 C ATOM 494 CD PRO A 261 6.679 4.574 -1.504 1.00 15.00 C ATOM 0 HA PRO A 261 7.774 7.030 -3.432 1.00 15.00 H new ATOM 0 HB2 PRO A 261 8.138 7.453 -0.733 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.523 7.502 -1.410 1.00 15.00 H new ATOM 0 HG2 PRO A 261 7.867 5.312 0.130 1.00 15.00 H new ATOM 0 HG3 PRO A 261 6.193 5.829 0.174 1.00 15.00 H new ATOM 0 HD2 PRO A 261 7.118 3.612 -1.241 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.601 4.426 -1.565 1.00 15.00 H new ATOM 502 N ARG A 262 9.913 4.941 -2.439 1.00 15.00 N ATOM 503 CA ARG A 262 11.330 4.660 -2.232 1.00 15.00 C ATOM 504 C ARG A 262 12.132 4.925 -3.508 1.00 15.00 C ATOM 505 O ARG A 262 13.362 4.961 -3.487 1.00 15.00 O ATOM 506 CB ARG A 262 11.509 3.214 -1.757 1.00 15.00 C ATOM 507 CG ARG A 262 12.938 2.835 -1.411 1.00 15.00 C ATOM 508 CD ARG A 262 13.435 3.575 -0.184 1.00 15.00 C ATOM 509 NE ARG A 262 14.745 3.091 0.242 1.00 15.00 N ATOM 510 CZ ARG A 262 15.554 3.745 1.070 1.00 15.00 C ATOM 511 NH1 ARG A 262 15.197 4.925 1.566 1.00 15.00 N1+ ATOM 512 NH2 ARG A 262 16.723 3.211 1.397 1.00 15.00 N ATOM 0 H ARG A 262 9.325 4.110 -2.509 1.00 15.00 H new ATOM 0 HA ARG A 262 11.712 5.329 -1.461 1.00 15.00 H new ATOM 0 HB2 ARG A 262 10.882 3.053 -0.880 1.00 15.00 H new ATOM 0 HB3 ARG A 262 11.147 2.542 -2.535 1.00 15.00 H new ATOM 0 HG2 ARG A 262 12.997 1.761 -1.236 1.00 15.00 H new ATOM 0 HG3 ARG A 262 13.588 3.057 -2.257 1.00 15.00 H new ATOM 0 HD2 ARG A 262 13.493 4.642 -0.401 1.00 15.00 H new ATOM 0 HD3 ARG A 262 12.720 3.454 0.629 1.00 15.00 H new ATOM 0 HE ARG A 262 15.061 2.191 -0.120 1.00 15.00 H new ATOM 0 HH11 ARG A 262 14.298 5.334 1.312 1.00 15.00 H new ATOM 0 HH12 ARG A 262 15.822 5.422 2.201 1.00 15.00 H new ATOM 0 HH21 ARG A 262 16.995 2.306 1.014 1.00 15.00 H new ATOM 0 HH22 ARG A 262 17.350 3.706 2.032 1.00 15.00 H new ATOM 526 N LEU A 263 11.432 5.099 -4.621 1.00 15.00 N ATOM 527 CA LEU A 263 12.079 5.445 -5.882 1.00 15.00 C ATOM 528 C LEU A 263 12.402 6.936 -5.946 1.00 15.00 C ATOM 529 O LEU A 263 13.210 7.372 -6.766 1.00 15.00 O ATOM 530 CB LEU A 263 11.197 5.049 -7.068 1.00 15.00 C ATOM 531 CG LEU A 263 10.905 3.552 -7.190 1.00 15.00 C ATOM 532 CD1 LEU A 263 10.012 3.281 -8.390 1.00 15.00 C ATOM 533 CD2 LEU A 263 12.203 2.765 -7.300 1.00 15.00 C ATOM 0 H LEU A 263 10.418 5.007 -4.678 1.00 15.00 H new ATOM 0 HA LEU A 263 13.015 4.889 -5.937 1.00 15.00 H new ATOM 0 HB2 LEU A 263 10.250 5.583 -6.990 1.00 15.00 H new ATOM 0 HB3 LEU A 263 11.678 5.385 -7.986 1.00 15.00 H new ATOM 0 HG LEU A 263 10.381 3.227 -6.291 1.00 15.00 H new ATOM 0 HD11 LEU A 263 9.814 2.212 -8.462 1.00 15.00 H new ATOM 0 HD12 LEU A 263 9.070 3.817 -8.271 1.00 15.00 H new ATOM 0 HD13 LEU A 263 10.510 3.620 -9.298 1.00 15.00 H new ATOM 0 HD21 LEU A 263 11.978 1.702 -7.386 1.00 15.00 H new ATOM 0 HD22 LEU A 263 12.753 3.092 -8.182 1.00 15.00 H new ATOM 0 HD23 LEU A 263 12.809 2.937 -6.410 1.00 15.00 H new ATOM 545 N ASP A 264 11.739 7.719 -5.100 1.00 15.00 N ATOM 546 CA ASP A 264 11.936 9.170 -5.075 1.00 15.00 C ATOM 547 C ASP A 264 13.349 9.605 -4.646 1.00 15.00 C ATOM 548 O ASP A 264 13.952 10.436 -5.325 1.00 15.00 O ATOM 549 CB ASP A 264 10.877 9.856 -4.202 1.00 15.00 C ATOM 550 CG ASP A 264 9.610 10.179 -4.969 1.00 15.00 C ATOM 551 OD1 ASP A 264 8.878 9.241 -5.356 1.00 15.00 O1- ATOM 552 OD2 ASP A 264 9.349 11.378 -5.206 1.00 15.00 O ATOM 0 H ASP A 264 11.060 7.375 -4.421 1.00 15.00 H new ATOM 0 HA ASP A 264 11.820 9.495 -6.109 1.00 15.00 H new ATOM 0 HB2 ASP A 264 10.632 9.210 -3.359 1.00 15.00 H new ATOM 0 HB3 ASP A 264 11.292 10.776 -3.789 1.00 15.00 H new ATOM 557 N PRO A 265 13.891 9.092 -3.519 1.00 15.00 N ATOM 558 CA PRO A 265 15.248 9.431 -3.066 1.00 15.00 C ATOM 559 C PRO A 265 16.311 9.102 -4.110 1.00 15.00 C ATOM 560 O PRO A 265 16.947 10.044 -4.629 1.00 15.00 O ATOM 561 CB PRO A 265 15.451 8.574 -1.808 1.00 15.00 C ATOM 562 CG PRO A 265 14.385 7.536 -1.866 1.00 15.00 C ATOM 563 CD PRO A 265 13.236 8.171 -2.590 1.00 15.00 C ATOM 564 OXT PRO A 265 16.489 7.909 -4.428 1.00 15.00 O ATOM 0 HA PRO A 265 15.348 10.501 -2.882 1.00 15.00 H new ATOM 0 HB2 PRO A 265 16.442 8.120 -1.796 1.00 15.00 H new ATOM 0 HB3 PRO A 265 15.365 9.176 -0.903 1.00 15.00 H new ATOM 0 HG2 PRO A 265 14.734 6.646 -2.390 1.00 15.00 H new ATOM 0 HG3 PRO A 265 14.091 7.221 -0.865 1.00 15.00 H new ATOM 0 HD2 PRO A 265 12.633 7.430 -3.116 1.00 15.00 H new ATOM 0 HD3 PRO A 265 12.570 8.696 -1.905 1.00 15.00 H new TER 572 PRO A 265 ATOM 573 N SER B 206 -8.301 10.002 -5.032 1.00 15.00 N ATOM 574 CA SER B 206 -8.943 8.807 -4.454 1.00 15.00 C ATOM 575 C SER B 206 -8.199 8.370 -3.195 1.00 15.00 C ATOM 576 O SER B 206 -6.986 8.145 -3.228 1.00 15.00 O ATOM 577 CB SER B 206 -8.944 7.678 -5.486 1.00 15.00 C ATOM 578 OG SER B 206 -9.501 8.117 -6.715 1.00 15.00 O ATOM 0 HA SER B 206 -9.972 9.046 -4.184 1.00 15.00 H new ATOM 0 HB2 SER B 206 -7.925 7.327 -5.649 1.00 15.00 H new ATOM 0 HB3 SER B 206 -9.515 6.832 -5.105 1.00 15.00 H new ATOM 0 HG SER B 206 -9.350 9.080 -6.817 1.00 15.00 H new ATOM 586 N PRO B 207 -8.910 8.262 -2.063 1.00 15.00 N ATOM 587 CA PRO B 207 -8.329 7.797 -0.807 1.00 15.00 C ATOM 588 C PRO B 207 -8.010 6.309 -0.864 1.00 15.00 C ATOM 589 O PRO B 207 -8.860 5.502 -1.247 1.00 15.00 O ATOM 590 CB PRO B 207 -9.424 8.062 0.237 1.00 15.00 C ATOM 591 CG PRO B 207 -10.459 8.884 -0.456 1.00 15.00 C ATOM 592 CD PRO B 207 -10.333 8.582 -1.917 1.00 15.00 C ATOM 0 HA PRO B 207 -7.391 8.303 -0.580 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.849 7.127 0.604 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -9.020 8.590 1.101 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.457 8.637 -0.094 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.304 9.946 -0.264 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.968 7.747 -2.213 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.621 9.435 -2.532 1.00 15.00 H new ATOM 600 N PRO B 208 -6.784 5.923 -0.485 1.00 15.00 N ATOM 601 CA PRO B 208 -6.374 4.523 -0.485 1.00 15.00 C ATOM 602 C PRO B 208 -7.203 3.713 0.504 1.00 15.00 C ATOM 603 O PRO B 208 -7.437 4.157 1.631 1.00 15.00 O ATOM 604 CB PRO B 208 -4.902 4.569 -0.052 1.00 15.00 C ATOM 605 CG PRO B 208 -4.481 5.986 -0.222 1.00 15.00 C ATOM 606 CD PRO B 208 -5.714 6.808 -0.008 1.00 15.00 C ATOM 0 HA PRO B 208 -6.513 4.046 -1.455 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.787 4.247 0.983 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.292 3.903 -0.662 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.705 6.252 0.496 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -4.067 6.154 -1.216 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -5.846 7.073 1.041 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.680 7.741 -0.570 1.00 15.00 H new ATOM 614 N PRO B 209 -7.650 2.514 0.090 1.00 15.00 N ATOM 615 CA PRO B 209 -8.507 1.649 0.907 1.00 15.00 C ATOM 616 C PRO B 209 -7.970 1.468 2.325 1.00 15.00 C ATOM 617 O PRO B 209 -6.760 1.332 2.527 1.00 15.00 O ATOM 618 CB PRO B 209 -8.493 0.305 0.159 1.00 15.00 C ATOM 619 CG PRO B 209 -7.470 0.441 -0.920 1.00 15.00 C ATOM 620 CD PRO B 209 -7.363 1.907 -1.212 1.00 15.00 C ATOM 0 HA PRO B 209 -9.504 2.073 1.028 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -8.241 -0.513 0.833 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -9.474 0.082 -0.260 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -6.510 0.037 -0.599 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -7.767 -0.113 -1.811 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -6.371 2.177 -1.575 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -8.077 2.222 -1.972 1.00 15.00 H new ATOM 628 N PRO B 210 -8.876 1.477 3.318 1.00 15.00 N ATOM 629 CA PRO B 210 -8.515 1.354 4.732 1.00 15.00 C ATOM 630 C PRO B 210 -7.564 0.193 5.004 1.00 15.00 C ATOM 631 O PRO B 210 -7.839 -0.951 4.646 1.00 15.00 O ATOM 632 CB PRO B 210 -9.860 1.124 5.422 1.00 15.00 C ATOM 633 CG PRO B 210 -10.854 1.780 4.532 1.00 15.00 C ATOM 634 CD PRO B 210 -10.334 1.609 3.132 1.00 15.00 C ATOM 0 HA PRO B 210 -7.980 2.234 5.089 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -10.071 0.061 5.536 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -9.873 1.560 6.421 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.837 1.323 4.641 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -10.964 2.835 4.781 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.758 0.728 2.651 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.582 2.465 2.505 1.00 15.00 H new ATOM 642 N TYR B 211 -6.449 0.510 5.646 1.00 15.00 N ATOM 643 CA TYR B 211 -5.421 -0.468 5.989 1.00 15.00 C ATOM 644 C TYR B 211 -5.954 -1.549 6.947 1.00 15.00 C ATOM 645 O TYR B 211 -5.296 -2.562 7.188 1.00 15.00 O ATOM 646 CB TYR B 211 -4.206 0.277 6.579 1.00 15.00 C ATOM 647 CG TYR B 211 -3.287 -0.556 7.441 1.00 15.00 C ATOM 648 CD1 TYR B 211 -2.503 -1.572 6.904 1.00 15.00 C ATOM 649 CD2 TYR B 211 -3.205 -0.318 8.805 1.00 15.00 C ATOM 650 CE1 TYR B 211 -1.673 -2.327 7.709 1.00 15.00 C ATOM 651 CE2 TYR B 211 -2.376 -1.064 9.614 1.00 15.00 C ATOM 652 CZ TYR B 211 -1.613 -2.068 9.062 1.00 15.00 C ATOM 653 OH TYR B 211 -0.793 -2.821 9.867 1.00 15.00 O ATOM 0 H TYR B 211 -6.229 1.459 5.947 1.00 15.00 H new ATOM 0 HA TYR B 211 -5.113 -0.996 5.087 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -3.625 0.695 5.757 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -4.570 1.116 7.172 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -2.544 -1.773 5.844 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -3.803 0.468 9.242 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -1.074 -3.117 7.281 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -2.325 -0.862 10.674 1.00 15.00 H new ATOM 0 HH TYR B 211 -0.311 -3.476 9.321 1.00 15.00 H new ATOM 663 N SER B 212 -7.154 -1.340 7.476 1.00 15.00 N ATOM 664 CA SER B 212 -7.751 -2.285 8.404 1.00 15.00 C ATOM 665 C SER B 212 -7.922 -3.663 7.761 1.00 15.00 C ATOM 666 O SER B 212 -7.606 -4.681 8.378 1.00 15.00 O ATOM 667 CB SER B 212 -9.093 -1.752 8.903 1.00 15.00 C ATOM 668 OG SER B 212 -9.856 -1.217 7.836 1.00 15.00 O ATOM 0 H SER B 212 -7.731 -0.523 7.276 1.00 15.00 H new ATOM 0 HA SER B 212 -7.079 -2.400 9.254 1.00 15.00 H new ATOM 0 HB2 SER B 212 -9.650 -2.555 9.386 1.00 15.00 H new ATOM 0 HB3 SER B 212 -8.925 -0.982 9.656 1.00 15.00 H new ATOM 0 HG SER B 212 -10.711 -0.884 8.180 1.00 15.00 H new ATOM 674 N ARG B 213 -8.438 -3.704 6.537 1.00 15.00 N ATOM 675 CA ARG B 213 -8.520 -4.960 5.808 1.00 15.00 C ATOM 676 C ARG B 213 -8.427 -4.735 4.303 1.00 15.00 C ATOM 677 O ARG B 213 -8.609 -3.623 3.817 1.00 15.00 O ATOM 678 CB ARG B 213 -9.787 -5.726 6.143 1.00 15.00 C ATOM 679 CG ARG B 213 -9.580 -7.223 6.026 1.00 15.00 C ATOM 680 CD ARG B 213 -9.080 -7.820 7.332 1.00 15.00 C ATOM 681 NE ARG B 213 -9.969 -7.512 8.451 1.00 15.00 N ATOM 682 CZ ARG B 213 -10.457 -8.423 9.292 1.00 15.00 C ATOM 683 NH1 ARG B 213 -10.140 -9.707 9.152 1.00 15.00 N1+ ATOM 684 NH2 ARG B 213 -11.255 -8.040 10.280 1.00 15.00 N ATOM 0 H ARG B 213 -8.801 -2.893 6.036 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.668 -5.562 6.123 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.105 -5.480 7.156 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -10.589 -5.415 5.473 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.518 -7.700 5.742 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -8.863 -7.431 5.232 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.992 -8.901 7.226 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.082 -7.438 7.546 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.232 -6.538 8.597 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -9.520 -10.000 8.397 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -10.517 -10.399 9.800 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -11.491 -7.054 10.392 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -11.633 -8.731 10.928 1.00 15.00 H new ATOM 698 N TYR B 214 -8.184 -5.816 3.569 1.00 15.00 N ATOM 699 CA TYR B 214 -7.844 -5.730 2.155 1.00 15.00 C ATOM 700 C TYR B 214 -9.083 -5.951 1.292 1.00 15.00 C ATOM 701 O TYR B 214 -9.714 -7.009 1.353 1.00 15.00 O ATOM 702 CB TYR B 214 -6.758 -6.766 1.812 1.00 15.00 C ATOM 703 CG TYR B 214 -5.720 -6.942 2.906 1.00 15.00 C ATOM 704 CD1 TYR B 214 -5.408 -5.901 3.767 1.00 15.00 C ATOM 705 CD2 TYR B 214 -5.078 -8.160 3.098 1.00 15.00 C ATOM 706 CE1 TYR B 214 -4.498 -6.057 4.782 1.00 15.00 C ATOM 707 CE2 TYR B 214 -4.153 -8.325 4.113 1.00 15.00 C ATOM 708 CZ TYR B 214 -3.869 -7.268 4.955 1.00 15.00 C ATOM 709 OH TYR B 214 -2.954 -7.422 5.976 1.00 15.00 O ATOM 0 H TYR B 214 -8.217 -6.768 3.934 1.00 15.00 H new ATOM 0 HA TYR B 214 -7.457 -4.732 1.948 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -7.233 -7.727 1.615 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.257 -6.464 0.892 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -5.893 -4.945 3.636 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -5.305 -8.990 2.445 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -4.276 -5.232 5.443 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -3.656 -9.275 4.246 1.00 15.00 H new ATOM 0 HH TYR B 214 -2.601 -8.336 5.963 1.00 15.00 H new ATOM 719 N PRO B 215 -9.457 -4.935 0.502 1.00 15.00 N ATOM 720 CA PRO B 215 -10.621 -4.992 -0.389 1.00 15.00 C ATOM 721 C PRO B 215 -10.453 -5.996 -1.531 1.00 15.00 C ATOM 722 O PRO B 215 -9.515 -5.906 -2.326 1.00 15.00 O ATOM 723 CB PRO B 215 -10.712 -3.567 -0.947 1.00 15.00 C ATOM 724 CG PRO B 215 -9.332 -3.024 -0.822 1.00 15.00 C ATOM 725 CD PRO B 215 -8.774 -3.632 0.428 1.00 15.00 C ATOM 0 HA PRO B 215 -11.513 -5.322 0.143 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -11.044 -3.569 -1.985 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -11.427 -2.966 -0.384 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -8.727 -3.286 -1.690 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -9.343 -1.936 -0.758 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -7.692 -3.747 0.371 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -8.984 -3.017 1.303 1.00 15.00 H new ATOM 733 N MET B 216 -11.364 -6.952 -1.596 1.00 15.00 N ATOM 734 CA MET B 216 -11.379 -7.933 -2.672 1.00 15.00 C ATOM 735 C MET B 216 -12.720 -7.892 -3.395 1.00 15.00 C ATOM 736 O MET B 216 -13.778 -7.961 -2.759 1.00 15.00 O ATOM 737 CB MET B 216 -11.133 -9.339 -2.118 1.00 15.00 C ATOM 738 CG MET B 216 -11.167 -10.429 -3.181 1.00 15.00 C ATOM 739 SD MET B 216 -11.056 -12.088 -2.480 1.00 15.00 S ATOM 740 CE MET B 216 -12.512 -12.111 -1.434 1.00 15.00 C ATOM 0 H MET B 216 -12.110 -7.071 -0.911 1.00 15.00 H new ATOM 0 HA MET B 216 -10.583 -7.689 -3.375 1.00 15.00 H new ATOM 0 HB2 MET B 216 -10.164 -9.359 -1.620 1.00 15.00 H new ATOM 0 HB3 MET B 216 -11.885 -9.559 -1.361 1.00 15.00 H new ATOM 0 HG2 MET B 216 -12.090 -10.342 -3.755 1.00 15.00 H new ATOM 0 HG3 MET B 216 -10.343 -10.277 -3.878 1.00 15.00 H new ATOM 0 HE1 MET B 216 -12.973 -13.098 -1.474 1.00 15.00 H new ATOM 0 HE2 MET B 216 -12.226 -11.885 -0.407 1.00 15.00 H new ATOM 0 HE3 MET B 216 -13.224 -11.364 -1.785 1.00 15.00 H new ATOM 750 N ASP B 217 -12.674 -7.779 -4.713 1.00 15.00 N ATOM 751 CA ASP B 217 -13.886 -7.771 -5.524 1.00 15.00 C ATOM 752 C ASP B 217 -14.222 -9.190 -5.966 1.00 15.00 C ATOM 753 O ASP B 217 -13.551 -9.703 -6.883 1.00 15.00 O ATOM 754 CB ASP B 217 -13.722 -6.862 -6.747 1.00 15.00 C ATOM 755 CG ASP B 217 -15.020 -6.679 -7.511 1.00 15.00 C ATOM 756 OD1 ASP B 217 -15.339 -7.521 -8.372 1.00 15.00 O ATOM 757 OD2 ASP B 217 -15.725 -5.677 -7.258 1.00 15.00 O1- ATOM 758 OXT ASP B 217 -15.138 -9.798 -5.374 1.00 15.00 O ATOM 0 H ASP B 217 -11.809 -7.691 -5.247 1.00 15.00 H new ATOM 0 HA ASP B 217 -14.703 -7.380 -4.918 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -13.353 -5.888 -6.425 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -12.969 -7.285 -7.412 1.00 15.00 H new TER 763 ASP B 217