USER MOD reduce.3.24.130724 H: found=0, std=0, add=360, rem=0, adj=14 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 : no HD1:sc= 0.828 K(o=-0.14,f=-7!) USER MOD Set 1.2: B 211 TYR OH : rot 180:sc= -1.89! USER MOD Set 1.3: B 214 TYR OH : rot 180:sc= 0.922 USER MOD Set 2.1: A 250 ASN : amide:sc= -0.116 K(o=-0.69,f=-9!) USER MOD Set 2.2: A 253 ASN : amide:sc= -0.571 K(o=-0.69,f=-4.6!) USER MOD Single : A 238 GLN : amide:sc= -0.866 K(o=-0.87,f=-2.6) USER MOD Single : A 240 MET CE :methyl 162:sc= -0.107 (180deg=-0.531) USER MOD Single : A 241 THR OG1 : rot 69:sc= 1.26 USER MOD Single : A 242 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 247 TYR OH : rot 60:sc= -1.52 USER MOD Single : A 248 TYR OH : rot -123:sc= -1.45 USER MOD Single : A 252 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0102) USER MOD Single : A 254 LYS NZ :NH3+ 164:sc= -0.02 (180deg=-0.209) USER MOD Single : A 255 THR OG1 : rot 180:sc=-0.00194 USER MOD Single : A 256 THR OG1 : rot 140:sc= 0.0188 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 206 SER OG : rot -25:sc= 0.19 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl 157:sc= -0.178 (180deg=-0.937) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 9.304 -1.232 -5.826 1.00 15.00 N ATOM 2 CA GLY A 230 10.706 -1.718 -5.842 1.00 15.00 C ATOM 3 C GLY A 230 11.204 -1.997 -4.442 1.00 15.00 C ATOM 4 O GLY A 230 10.658 -2.857 -3.748 1.00 15.00 O ATOM 0 HA2 GLY A 230 10.772 -2.626 -6.442 1.00 15.00 H new ATOM 0 HA3 GLY A 230 11.346 -0.974 -6.317 1.00 15.00 H new ATOM 10 N PRO A 231 12.253 -1.298 -3.996 1.00 15.00 N ATOM 11 CA PRO A 231 12.714 -1.375 -2.619 1.00 15.00 C ATOM 12 C PRO A 231 11.918 -0.432 -1.723 1.00 15.00 C ATOM 13 O PRO A 231 11.827 0.761 -1.999 1.00 15.00 O ATOM 14 CB PRO A 231 14.174 -0.935 -2.722 1.00 15.00 C ATOM 15 CG PRO A 231 14.212 0.006 -3.883 1.00 15.00 C ATOM 16 CD PRO A 231 13.076 -0.379 -4.803 1.00 15.00 C ATOM 0 HA PRO A 231 12.594 -2.365 -2.179 1.00 15.00 H new ATOM 0 HB2 PRO A 231 14.505 -0.445 -1.806 1.00 15.00 H new ATOM 0 HB3 PRO A 231 14.833 -1.788 -2.883 1.00 15.00 H new ATOM 0 HG2 PRO A 231 14.103 1.037 -3.547 1.00 15.00 H new ATOM 0 HG3 PRO A 231 15.168 -0.061 -4.402 1.00 15.00 H new ATOM 0 HD2 PRO A 231 12.505 0.494 -5.118 1.00 15.00 H new ATOM 0 HD3 PRO A 231 13.443 -0.863 -5.708 1.00 15.00 H new ATOM 24 N LEU A 232 11.325 -0.962 -0.665 1.00 15.00 N ATOM 25 CA LEU A 232 10.524 -0.143 0.230 1.00 15.00 C ATOM 26 C LEU A 232 11.193 0.027 1.577 1.00 15.00 C ATOM 27 O LEU A 232 12.096 -0.731 1.920 1.00 15.00 O ATOM 28 CB LEU A 232 9.076 -0.632 0.427 1.00 15.00 C ATOM 29 CG LEU A 232 8.149 -0.348 -0.742 1.00 15.00 C ATOM 30 CD1 LEU A 232 8.252 1.100 -1.162 1.00 15.00 C ATOM 31 CD2 LEU A 232 8.435 -1.263 -1.917 1.00 15.00 C ATOM 0 H LEU A 232 11.382 -1.947 -0.407 1.00 15.00 H new ATOM 0 HA LEU A 232 10.457 0.821 -0.274 1.00 15.00 H new ATOM 0 HB2 LEU A 232 9.091 -1.707 0.609 1.00 15.00 H new ATOM 0 HB3 LEU A 232 8.666 -0.162 1.321 1.00 15.00 H new ATOM 0 HG LEU A 232 7.130 -0.545 -0.409 1.00 15.00 H new ATOM 0 HD11 LEU A 232 7.581 1.284 -2.001 1.00 15.00 H new ATOM 0 HD12 LEU A 232 7.973 1.742 -0.326 1.00 15.00 H new ATOM 0 HD13 LEU A 232 9.277 1.320 -1.462 1.00 15.00 H new ATOM 0 HD21 LEU A 232 7.752 -1.030 -2.734 1.00 15.00 H new ATOM 0 HD22 LEU A 232 9.463 -1.117 -2.250 1.00 15.00 H new ATOM 0 HD23 LEU A 232 8.296 -2.300 -1.613 1.00 15.00 H new ATOM 43 N PRO A 233 10.781 1.050 2.355 1.00 15.00 N ATOM 44 CA PRO A 233 11.303 1.296 3.714 1.00 15.00 C ATOM 45 C PRO A 233 11.066 0.105 4.654 1.00 15.00 C ATOM 46 O PRO A 233 11.513 0.112 5.801 1.00 15.00 O ATOM 47 CB PRO A 233 10.491 2.521 4.161 1.00 15.00 C ATOM 48 CG PRO A 233 10.189 3.212 2.883 1.00 15.00 C ATOM 49 CD PRO A 233 9.781 2.089 1.993 1.00 15.00 C ATOM 0 HA PRO A 233 12.382 1.447 3.732 1.00 15.00 H new ATOM 0 HB2 PRO A 233 9.581 2.231 4.687 1.00 15.00 H new ATOM 0 HB3 PRO A 233 11.061 3.157 4.838 1.00 15.00 H new ATOM 0 HG2 PRO A 233 9.393 3.947 2.998 1.00 15.00 H new ATOM 0 HG3 PRO A 233 11.058 3.742 2.494 1.00 15.00 H new ATOM 0 HD2 PRO A 233 8.760 1.761 2.187 1.00 15.00 H new ATOM 0 HD3 PRO A 233 9.834 2.360 0.939 1.00 15.00 H new ATOM 57 N ASP A 234 10.272 -0.862 4.169 1.00 15.00 N ATOM 58 CA ASP A 234 10.051 -2.154 4.840 1.00 15.00 C ATOM 59 C ASP A 234 8.945 -2.066 5.874 1.00 15.00 C ATOM 60 O ASP A 234 8.712 -3.006 6.632 1.00 15.00 O ATOM 61 CB ASP A 234 11.339 -2.704 5.475 1.00 15.00 C ATOM 62 CG ASP A 234 12.254 -3.387 4.472 1.00 15.00 C ATOM 63 OD1 ASP A 234 13.070 -2.697 3.835 1.00 15.00 O1- ATOM 64 OD2 ASP A 234 12.167 -4.627 4.329 1.00 15.00 O ATOM 0 H ASP A 234 9.760 -0.769 3.292 1.00 15.00 H new ATOM 0 HA ASP A 234 9.738 -2.854 4.066 1.00 15.00 H new ATOM 0 HB2 ASP A 234 11.879 -1.887 5.953 1.00 15.00 H new ATOM 0 HB3 ASP A 234 11.076 -3.413 6.260 1.00 15.00 H new ATOM 69 N GLY A 235 8.237 -0.953 5.871 1.00 15.00 N ATOM 70 CA GLY A 235 7.086 -0.817 6.735 1.00 15.00 C ATOM 71 C GLY A 235 5.806 -1.208 6.026 1.00 15.00 C ATOM 72 O GLY A 235 4.772 -1.407 6.661 1.00 15.00 O ATOM 0 H GLY A 235 8.437 -0.141 5.287 1.00 15.00 H new ATOM 0 HA2 GLY A 235 7.218 -1.441 7.619 1.00 15.00 H new ATOM 0 HA3 GLY A 235 7.010 0.214 7.081 1.00 15.00 H new ATOM 76 N TRP A 236 5.885 -1.362 4.707 1.00 15.00 N ATOM 77 CA TRP A 236 4.703 -1.594 3.890 1.00 15.00 C ATOM 78 C TRP A 236 4.921 -2.537 2.718 1.00 15.00 C ATOM 79 O TRP A 236 6.002 -2.608 2.135 1.00 15.00 O ATOM 80 CB TRP A 236 4.069 -0.286 3.411 1.00 15.00 C ATOM 81 CG TRP A 236 4.983 0.890 3.213 1.00 15.00 C ATOM 82 CD1 TRP A 236 6.338 0.913 3.021 1.00 15.00 C ATOM 83 CD2 TRP A 236 4.559 2.258 3.219 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.769 2.207 2.923 1.00 15.00 N ATOM 85 CE2 TRP A 236 5.699 3.051 3.037 1.00 15.00 C ATOM 86 CE3 TRP A 236 3.317 2.886 3.363 1.00 15.00 C ATOM 87 CZ2 TRP A 236 5.638 4.442 2.999 1.00 15.00 C ATOM 88 CZ3 TRP A 236 3.257 4.264 3.322 1.00 15.00 C ATOM 89 CH2 TRP A 236 4.413 5.030 3.142 1.00 15.00 C ATOM 0 H TRP A 236 6.759 -1.330 4.182 1.00 15.00 H new ATOM 0 HA TRP A 236 4.008 -2.099 4.561 1.00 15.00 H new ATOM 0 HB2 TRP A 236 3.563 -0.483 2.466 1.00 15.00 H new ATOM 0 HB3 TRP A 236 3.302 0.000 4.130 1.00 15.00 H new ATOM 0 HD1 TRP A 236 6.971 0.041 2.957 1.00 15.00 H new ATOM 0 HE1 TRP A 236 7.737 2.497 2.786 1.00 15.00 H new ATOM 0 HE3 TRP A 236 2.420 2.302 3.504 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 6.529 5.036 2.861 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 2.303 4.758 3.431 1.00 15.00 H new ATOM 0 HH2 TRP A 236 4.336 6.107 3.116 1.00 15.00 H new ATOM 100 N GLU A 237 3.834 -3.227 2.380 1.00 15.00 N ATOM 101 CA GLU A 237 3.793 -4.236 1.336 1.00 15.00 C ATOM 102 C GLU A 237 2.825 -3.782 0.234 1.00 15.00 C ATOM 103 O GLU A 237 1.806 -3.153 0.532 1.00 15.00 O ATOM 104 CB GLU A 237 3.315 -5.548 1.977 1.00 15.00 C ATOM 105 CG GLU A 237 3.068 -6.684 1.004 1.00 15.00 C ATOM 106 CD GLU A 237 4.323 -7.134 0.293 1.00 15.00 C ATOM 107 OE1 GLU A 237 5.091 -7.924 0.878 1.00 15.00 O ATOM 108 OE2 GLU A 237 4.545 -6.709 -0.859 1.00 15.00 O1- ATOM 0 H GLU A 237 2.934 -3.092 2.841 1.00 15.00 H new ATOM 0 HA GLU A 237 4.775 -4.383 0.886 1.00 15.00 H new ATOM 0 HB2 GLU A 237 4.058 -5.870 2.707 1.00 15.00 H new ATOM 0 HB3 GLU A 237 2.393 -5.352 2.525 1.00 15.00 H new ATOM 0 HG2 GLU A 237 2.639 -7.529 1.542 1.00 15.00 H new ATOM 0 HG3 GLU A 237 2.331 -6.369 0.265 1.00 15.00 H new ATOM 115 N GLN A 238 3.114 -4.121 -1.021 1.00 15.00 N ATOM 116 CA GLN A 238 2.267 -3.693 -2.136 1.00 15.00 C ATOM 117 C GLN A 238 1.163 -4.725 -2.402 1.00 15.00 C ATOM 118 O GLN A 238 1.432 -5.810 -2.912 1.00 15.00 O ATOM 119 CB GLN A 238 3.097 -3.478 -3.413 1.00 15.00 C ATOM 120 CG GLN A 238 2.261 -3.120 -4.632 1.00 15.00 C ATOM 121 CD GLN A 238 2.134 -1.630 -4.841 1.00 15.00 C ATOM 122 OE1 GLN A 238 2.933 -1.026 -5.556 1.00 15.00 O ATOM 123 NE2 GLN A 238 1.136 -1.023 -4.221 1.00 15.00 N ATOM 0 H GLN A 238 3.920 -4.685 -1.291 1.00 15.00 H new ATOM 0 HA GLN A 238 1.809 -2.744 -1.858 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.822 -2.684 -3.235 1.00 15.00 H new ATOM 0 HB3 GLN A 238 3.663 -4.385 -3.625 1.00 15.00 H new ATOM 0 HG2 GLN A 238 2.709 -3.569 -5.518 1.00 15.00 H new ATOM 0 HG3 GLN A 238 1.266 -3.553 -4.524 1.00 15.00 H new ATOM 0 HE21 GLN A 238 0.496 -1.561 -3.637 1.00 15.00 H new ATOM 0 HE22 GLN A 238 1.007 -0.017 -4.327 1.00 15.00 H new ATOM 132 N ALA A 239 -0.071 -4.397 -2.033 1.00 15.00 N ATOM 133 CA ALA A 239 -1.202 -5.280 -2.265 1.00 15.00 C ATOM 134 C ALA A 239 -1.991 -4.821 -3.485 1.00 15.00 C ATOM 135 O ALA A 239 -2.018 -3.631 -3.804 1.00 15.00 O ATOM 136 CB ALA A 239 -2.097 -5.330 -1.034 1.00 15.00 C ATOM 0 H ALA A 239 -0.311 -3.521 -1.570 1.00 15.00 H new ATOM 0 HA ALA A 239 -0.826 -6.285 -2.457 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -2.939 -5.995 -1.223 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -1.525 -5.701 -0.183 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.468 -4.329 -0.813 1.00 15.00 H new ATOM 142 N MET A 240 -2.613 -5.762 -4.173 1.00 15.00 N ATOM 143 CA MET A 240 -3.346 -5.463 -5.396 1.00 15.00 C ATOM 144 C MET A 240 -4.851 -5.568 -5.172 1.00 15.00 C ATOM 145 O MET A 240 -5.343 -6.600 -4.713 1.00 15.00 O ATOM 146 CB MET A 240 -2.940 -6.433 -6.516 1.00 15.00 C ATOM 147 CG MET A 240 -1.567 -6.172 -7.124 1.00 15.00 C ATOM 148 SD MET A 240 -0.199 -6.414 -5.967 1.00 15.00 S ATOM 149 CE MET A 240 -0.378 -8.152 -5.568 1.00 15.00 C ATOM 0 H MET A 240 -2.626 -6.746 -3.906 1.00 15.00 H new ATOM 0 HA MET A 240 -3.099 -4.442 -5.686 1.00 15.00 H new ATOM 0 HB2 MET A 240 -2.960 -7.449 -6.122 1.00 15.00 H new ATOM 0 HB3 MET A 240 -3.687 -6.384 -7.308 1.00 15.00 H new ATOM 0 HG2 MET A 240 -1.428 -6.832 -7.980 1.00 15.00 H new ATOM 0 HG3 MET A 240 -1.535 -5.150 -7.501 1.00 15.00 H new ATOM 0 HE1 MET A 240 0.551 -8.523 -5.135 1.00 15.00 H new ATOM 0 HE2 MET A 240 -1.189 -8.279 -4.851 1.00 15.00 H new ATOM 0 HE3 MET A 240 -0.605 -8.712 -6.475 1.00 15.00 H new ATOM 159 N THR A 241 -5.586 -4.509 -5.491 1.00 15.00 N ATOM 160 CA THR A 241 -7.035 -4.590 -5.485 1.00 15.00 C ATOM 161 C THR A 241 -7.519 -4.904 -6.895 1.00 15.00 C ATOM 162 O THR A 241 -7.018 -4.342 -7.879 1.00 15.00 O ATOM 163 CB THR A 241 -7.725 -3.306 -4.943 1.00 15.00 C ATOM 164 OG1 THR A 241 -9.133 -3.536 -4.800 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.514 -2.109 -5.856 1.00 15.00 C ATOM 0 H THR A 241 -5.207 -3.599 -5.753 1.00 15.00 H new ATOM 0 HA THR A 241 -7.315 -5.388 -4.798 1.00 15.00 H new ATOM 0 HB THR A 241 -7.271 -3.080 -3.978 1.00 15.00 H new ATOM 0 HG1 THR A 241 -9.288 -4.177 -4.075 1.00 15.00 H new ATOM 0 HG21 THR A 241 -8.015 -1.237 -5.435 1.00 15.00 H new ATOM 0 HG22 THR A 241 -6.447 -1.905 -5.948 1.00 15.00 H new ATOM 0 HG23 THR A 241 -7.929 -2.325 -6.841 1.00 15.00 H new ATOM 173 N GLN A 242 -8.490 -5.808 -6.987 1.00 15.00 N ATOM 174 CA GLN A 242 -8.954 -6.326 -8.271 1.00 15.00 C ATOM 175 C GLN A 242 -9.618 -5.234 -9.109 1.00 15.00 C ATOM 176 O GLN A 242 -9.894 -5.423 -10.294 1.00 15.00 O ATOM 177 CB GLN A 242 -9.919 -7.496 -8.047 1.00 15.00 C ATOM 178 CG GLN A 242 -10.305 -8.224 -9.323 1.00 15.00 C ATOM 179 CD GLN A 242 -11.115 -9.474 -9.063 1.00 15.00 C ATOM 180 OE1 GLN A 242 -12.344 -9.436 -9.012 1.00 15.00 O ATOM 181 NE2 GLN A 242 -10.432 -10.592 -8.899 1.00 15.00 N ATOM 0 H GLN A 242 -8.975 -6.200 -6.180 1.00 15.00 H new ATOM 0 HA GLN A 242 -8.086 -6.682 -8.826 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -9.461 -8.206 -7.359 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -10.823 -7.123 -7.565 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -10.879 -7.551 -9.960 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -9.401 -8.490 -9.872 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -9.413 -10.579 -8.949 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -10.923 -11.468 -8.722 1.00 15.00 H new ATOM 190 N ASP A 243 -9.854 -4.082 -8.494 1.00 15.00 N ATOM 191 CA ASP A 243 -10.459 -2.957 -9.192 1.00 15.00 C ATOM 192 C ASP A 243 -9.455 -2.326 -10.162 1.00 15.00 C ATOM 193 O ASP A 243 -9.798 -1.436 -10.940 1.00 15.00 O ATOM 194 CB ASP A 243 -10.974 -1.922 -8.193 1.00 15.00 C ATOM 195 CG ASP A 243 -11.923 -0.926 -8.827 1.00 15.00 C ATOM 196 OD1 ASP A 243 -12.937 -1.359 -9.412 1.00 15.00 O ATOM 197 OD2 ASP A 243 -11.681 0.293 -8.720 1.00 15.00 O1- ATOM 0 H ASP A 243 -9.635 -3.903 -7.514 1.00 15.00 H new ATOM 0 HA ASP A 243 -11.307 -3.323 -9.770 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -11.482 -2.433 -7.375 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -10.128 -1.388 -7.759 1.00 15.00 H new ATOM 202 N GLY A 244 -8.216 -2.809 -10.119 1.00 15.00 N ATOM 203 CA GLY A 244 -7.223 -2.394 -11.094 1.00 15.00 C ATOM 204 C GLY A 244 -6.202 -1.397 -10.570 1.00 15.00 C ATOM 205 O GLY A 244 -5.628 -0.639 -11.351 1.00 15.00 O ATOM 0 H GLY A 244 -7.883 -3.480 -9.427 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -6.697 -3.277 -11.456 1.00 15.00 H new ATOM 0 HA3 GLY A 244 -7.735 -1.955 -11.950 1.00 15.00 H new ATOM 209 N GLU A 245 -5.944 -1.404 -9.266 1.00 15.00 N ATOM 210 CA GLU A 245 -4.959 -0.493 -8.684 1.00 15.00 C ATOM 211 C GLU A 245 -4.197 -1.177 -7.554 1.00 15.00 C ATOM 212 O GLU A 245 -4.726 -2.054 -6.872 1.00 15.00 O ATOM 213 CB GLU A 245 -5.618 0.795 -8.169 1.00 15.00 C ATOM 214 CG GLU A 245 -6.043 1.755 -9.272 1.00 15.00 C ATOM 215 CD GLU A 245 -6.524 3.091 -8.742 1.00 15.00 C ATOM 216 OE1 GLU A 245 -7.735 3.224 -8.462 1.00 15.00 O ATOM 217 OE2 GLU A 245 -5.695 4.023 -8.622 1.00 15.00 O1- ATOM 0 H GLU A 245 -6.398 -2.024 -8.595 1.00 15.00 H new ATOM 0 HA GLU A 245 -4.258 -0.222 -9.473 1.00 15.00 H new ATOM 0 HB2 GLU A 245 -6.492 0.531 -7.574 1.00 15.00 H new ATOM 0 HB3 GLU A 245 -4.922 1.307 -7.504 1.00 15.00 H new ATOM 0 HG2 GLU A 245 -5.203 1.919 -9.947 1.00 15.00 H new ATOM 0 HG3 GLU A 245 -6.838 1.296 -9.859 1.00 15.00 H new ATOM 224 N ILE A 246 -2.955 -0.772 -7.355 1.00 15.00 N ATOM 225 CA ILE A 246 -2.129 -1.348 -6.310 1.00 15.00 C ATOM 226 C ILE A 246 -1.944 -0.349 -5.169 1.00 15.00 C ATOM 227 O ILE A 246 -1.775 0.849 -5.403 1.00 15.00 O ATOM 228 CB ILE A 246 -0.758 -1.798 -6.866 1.00 15.00 C ATOM 229 CG1 ILE A 246 0.022 -0.604 -7.429 1.00 15.00 C ATOM 230 CG2 ILE A 246 -0.952 -2.867 -7.934 1.00 15.00 C ATOM 231 CD1 ILE A 246 1.195 -0.995 -8.308 1.00 15.00 C ATOM 0 H ILE A 246 -2.496 -0.045 -7.905 1.00 15.00 H new ATOM 0 HA ILE A 246 -2.638 -2.231 -5.923 1.00 15.00 H new ATOM 0 HB ILE A 246 -0.175 -2.223 -6.049 1.00 15.00 H new ATOM 0 HG12 ILE A 246 -0.658 0.023 -8.006 1.00 15.00 H new ATOM 0 HG13 ILE A 246 0.388 0.002 -6.600 1.00 15.00 H new ATOM 0 HG21 ILE A 246 0.019 -3.177 -8.319 1.00 15.00 H new ATOM 0 HG22 ILE A 246 -1.461 -3.727 -7.500 1.00 15.00 H new ATOM 0 HG23 ILE A 246 -1.553 -2.463 -8.749 1.00 15.00 H new ATOM 0 HD11 ILE A 246 1.696 -0.096 -8.668 1.00 15.00 H new ATOM 0 HD12 ILE A 246 1.898 -1.596 -7.731 1.00 15.00 H new ATOM 0 HD13 ILE A 246 0.835 -1.575 -9.158 1.00 15.00 H new ATOM 243 N TYR A 247 -2.002 -0.840 -3.939 1.00 15.00 N ATOM 244 CA TYR A 247 -1.930 0.017 -2.763 1.00 15.00 C ATOM 245 C TYR A 247 -0.976 -0.580 -1.722 1.00 15.00 C ATOM 246 O TYR A 247 -0.946 -1.793 -1.531 1.00 15.00 O ATOM 247 CB TYR A 247 -3.334 0.205 -2.159 1.00 15.00 C ATOM 248 CG TYR A 247 -4.013 -1.081 -1.724 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.525 -1.968 -2.659 1.00 15.00 C ATOM 250 CD2 TYR A 247 -4.134 -1.406 -0.376 1.00 15.00 C ATOM 251 CE1 TYR A 247 -5.138 -3.142 -2.271 1.00 15.00 C ATOM 252 CE2 TYR A 247 -4.748 -2.584 0.021 1.00 15.00 C ATOM 253 CZ TYR A 247 -5.246 -3.445 -0.933 1.00 15.00 C ATOM 254 OH TYR A 247 -5.855 -4.616 -0.548 1.00 15.00 O ATOM 0 H TYR A 247 -2.099 -1.833 -3.729 1.00 15.00 H new ATOM 0 HA TYR A 247 -1.544 0.991 -3.064 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -3.259 0.870 -1.298 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -3.967 0.704 -2.893 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -4.442 -1.736 -3.710 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -3.744 -0.731 0.371 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -5.531 -3.820 -3.014 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.835 -2.825 1.070 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.370 -5.378 -0.929 1.00 15.00 H new ATOM 264 N TYR A 248 -0.213 0.266 -1.043 1.00 15.00 N ATOM 265 CA TYR A 248 0.709 -0.179 -0.012 1.00 15.00 C ATOM 266 C TYR A 248 0.031 -0.204 1.342 1.00 15.00 C ATOM 267 O TYR A 248 -0.495 0.812 1.802 1.00 15.00 O ATOM 268 CB TYR A 248 1.930 0.742 0.064 1.00 15.00 C ATOM 269 CG TYR A 248 2.994 0.436 -0.957 1.00 15.00 C ATOM 270 CD1 TYR A 248 2.891 0.888 -2.265 1.00 15.00 C ATOM 271 CD2 TYR A 248 4.108 -0.311 -0.607 1.00 15.00 C ATOM 272 CE1 TYR A 248 3.866 0.599 -3.194 1.00 15.00 C ATOM 273 CE2 TYR A 248 5.084 -0.602 -1.531 1.00 15.00 C ATOM 274 CZ TYR A 248 4.960 -0.147 -2.824 1.00 15.00 C ATOM 275 OH TYR A 248 5.932 -0.444 -3.751 1.00 15.00 O ATOM 0 H TYR A 248 -0.217 1.275 -1.192 1.00 15.00 H new ATOM 0 HA TYR A 248 1.031 -1.186 -0.277 1.00 15.00 H new ATOM 0 HB2 TYR A 248 1.603 1.774 -0.066 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.366 0.669 1.060 1.00 15.00 H new ATOM 0 HD1 TYR A 248 2.034 1.475 -2.559 1.00 15.00 H new ATOM 0 HD2 TYR A 248 4.211 -0.670 0.406 1.00 15.00 H new ATOM 0 HE1 TYR A 248 3.772 0.957 -4.209 1.00 15.00 H new ATOM 0 HE2 TYR A 248 5.946 -1.186 -1.243 1.00 15.00 H new ATOM 0 HH TYR A 248 6.043 -1.416 -3.809 1.00 15.00 H new ATOM 285 N ILE A 249 0.044 -1.363 1.974 1.00 15.00 N ATOM 286 CA ILE A 249 -0.462 -1.500 3.322 1.00 15.00 C ATOM 287 C ILE A 249 0.690 -1.423 4.315 1.00 15.00 C ATOM 288 O ILE A 249 1.520 -2.332 4.397 1.00 15.00 O ATOM 289 CB ILE A 249 -1.246 -2.818 3.507 1.00 15.00 C ATOM 290 CG1 ILE A 249 -0.516 -3.985 2.828 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.659 -2.668 2.962 1.00 15.00 C ATOM 292 CD1 ILE A 249 -1.266 -5.298 2.886 1.00 15.00 C ATOM 0 H ILE A 249 0.403 -2.228 1.569 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.156 -0.680 3.508 1.00 15.00 H new ATOM 0 HB ILE A 249 -1.309 -3.040 4.572 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -0.334 -3.728 1.784 1.00 15.00 H new ATOM 0 HG13 ILE A 249 0.458 -4.114 3.299 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.202 -3.603 3.098 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.172 -1.869 3.497 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.616 -2.424 1.900 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -0.684 -6.072 2.385 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -1.425 -5.581 3.927 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -2.230 -5.189 2.388 1.00 15.00 H new ATOM 304 N ASN A 250 0.749 -0.325 5.052 1.00 15.00 N ATOM 305 CA ASN A 250 1.829 -0.106 6.001 1.00 15.00 C ATOM 306 C ASN A 250 1.425 -0.689 7.360 1.00 15.00 C ATOM 307 O ASN A 250 0.622 -0.076 8.071 1.00 15.00 O ATOM 308 CB ASN A 250 2.123 1.395 6.134 1.00 15.00 C ATOM 309 CG ASN A 250 3.323 1.707 7.012 1.00 15.00 C ATOM 310 OD1 ASN A 250 3.666 0.959 7.928 1.00 15.00 O ATOM 311 ND2 ASN A 250 3.963 2.835 6.745 1.00 15.00 N ATOM 0 H ASN A 250 0.062 0.428 5.011 1.00 15.00 H new ATOM 0 HA ASN A 250 2.732 -0.601 5.645 1.00 15.00 H new ATOM 0 HB2 ASN A 250 2.292 1.812 5.141 1.00 15.00 H new ATOM 0 HB3 ASN A 250 1.245 1.893 6.544 1.00 15.00 H new ATOM 0 HD21 ASN A 250 4.769 3.109 7.307 1.00 15.00 H new ATOM 0 HD22 ASN A 250 3.650 3.430 5.978 1.00 15.00 H new ATOM 318 N HIS A 251 1.939 -1.882 7.711 1.00 15.00 N ATOM 319 CA HIS A 251 1.521 -2.566 8.927 1.00 15.00 C ATOM 320 C HIS A 251 2.159 -1.948 10.168 1.00 15.00 C ATOM 321 O HIS A 251 1.737 -2.223 11.293 1.00 15.00 O ATOM 322 CB HIS A 251 1.861 -4.063 8.853 1.00 15.00 C ATOM 323 CG HIS A 251 1.044 -4.837 7.852 1.00 15.00 C ATOM 324 ND1 HIS A 251 1.467 -5.091 6.560 1.00 15.00 N ATOM 325 CD2 HIS A 251 -0.174 -5.424 7.963 1.00 15.00 C ATOM 326 CE1 HIS A 251 0.549 -5.793 5.928 1.00 15.00 C ATOM 327 NE2 HIS A 251 -0.456 -6.008 6.753 1.00 15.00 N ATOM 0 H HIS A 251 2.641 -2.382 7.166 1.00 15.00 H new ATOM 0 HA HIS A 251 0.440 -2.450 9.009 1.00 15.00 H new ATOM 0 HB2 HIS A 251 2.917 -4.172 8.604 1.00 15.00 H new ATOM 0 HB3 HIS A 251 1.719 -4.505 9.839 1.00 15.00 H new ATOM 0 HD2 HIS A 251 -0.804 -5.431 8.840 1.00 15.00 H new ATOM 0 HE1 HIS A 251 0.610 -6.135 4.905 1.00 15.00 H new ATOM 0 HE2 HIS A 251 -1.306 -6.525 6.529 1.00 15.00 H new ATOM 336 N LYS A 252 3.184 -1.130 9.970 1.00 15.00 N ATOM 337 CA LYS A 252 3.867 -0.493 11.093 1.00 15.00 C ATOM 338 C LYS A 252 3.243 0.857 11.461 1.00 15.00 C ATOM 339 O LYS A 252 3.328 1.291 12.609 1.00 15.00 O ATOM 340 CB LYS A 252 5.356 -0.299 10.792 1.00 15.00 C ATOM 341 CG LYS A 252 6.104 -1.591 10.497 1.00 15.00 C ATOM 342 CD LYS A 252 7.596 -1.341 10.335 1.00 15.00 C ATOM 343 CE LYS A 252 8.330 -2.584 9.851 1.00 15.00 C ATOM 344 NZ LYS A 252 8.246 -3.708 10.824 1.00 15.00 N1+ ATOM 0 H LYS A 252 3.560 -0.892 9.052 1.00 15.00 H new ATOM 0 HA LYS A 252 3.753 -1.164 11.944 1.00 15.00 H new ATOM 0 HB2 LYS A 252 5.459 0.371 9.938 1.00 15.00 H new ATOM 0 HB3 LYS A 252 5.826 0.194 11.643 1.00 15.00 H new ATOM 0 HG2 LYS A 252 5.938 -2.303 11.306 1.00 15.00 H new ATOM 0 HG3 LYS A 252 5.708 -2.044 9.588 1.00 15.00 H new ATOM 0 HD2 LYS A 252 7.753 -0.528 9.627 1.00 15.00 H new ATOM 0 HD3 LYS A 252 8.016 -1.019 11.288 1.00 15.00 H new ATOM 0 HE2 LYS A 252 7.911 -2.901 8.896 1.00 15.00 H new ATOM 0 HE3 LYS A 252 9.377 -2.338 9.673 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 8.803 -4.513 10.473 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 8.623 -3.400 11.743 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 7.253 -3.996 10.936 1.00 15.00 H new ATOM 358 N ASN A 253 2.645 1.540 10.490 1.00 15.00 N ATOM 359 CA ASN A 253 2.116 2.881 10.728 1.00 15.00 C ATOM 360 C ASN A 253 0.613 2.946 10.481 1.00 15.00 C ATOM 361 O ASN A 253 0.005 4.003 10.652 1.00 15.00 O ATOM 362 CB ASN A 253 2.833 3.903 9.836 1.00 15.00 C ATOM 363 CG ASN A 253 4.334 3.956 10.071 1.00 15.00 C ATOM 364 OD1 ASN A 253 5.107 4.195 9.144 1.00 15.00 O ATOM 365 ND2 ASN A 253 4.760 3.753 11.308 1.00 15.00 N ATOM 0 H ASN A 253 2.515 1.193 9.540 1.00 15.00 H new ATOM 0 HA ASN A 253 2.297 3.123 11.775 1.00 15.00 H new ATOM 0 HB2 ASN A 253 2.644 3.659 8.791 1.00 15.00 H new ATOM 0 HB3 ASN A 253 2.409 4.891 10.014 1.00 15.00 H new ATOM 0 HD21 ASN A 253 5.758 3.792 11.517 1.00 15.00 H new ATOM 0 HD22 ASN A 253 4.091 3.557 12.052 1.00 15.00 H new ATOM 372 N LYS A 254 0.025 1.820 10.069 1.00 15.00 N ATOM 373 CA LYS A 254 -1.422 1.725 9.831 1.00 15.00 C ATOM 374 C LYS A 254 -1.865 2.737 8.766 1.00 15.00 C ATOM 375 O LYS A 254 -2.893 3.401 8.904 1.00 15.00 O ATOM 376 CB LYS A 254 -2.187 1.946 11.147 1.00 15.00 C ATOM 377 CG LYS A 254 -3.651 1.529 11.095 1.00 15.00 C ATOM 378 CD LYS A 254 -4.365 1.798 12.410 1.00 15.00 C ATOM 379 CE LYS A 254 -4.663 3.278 12.605 1.00 15.00 C ATOM 380 NZ LYS A 254 -5.683 3.773 11.643 1.00 15.00 N1+ ATOM 0 H LYS A 254 0.532 0.953 9.891 1.00 15.00 H new ATOM 0 HA LYS A 254 -1.651 0.726 9.459 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -1.690 1.389 11.941 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -2.131 3.001 11.414 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -4.154 2.068 10.292 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -3.718 0.468 10.856 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -5.297 1.234 12.438 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -3.750 1.440 13.236 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -5.014 3.446 13.623 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -3.744 3.852 12.486 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -6.054 4.687 11.971 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -5.248 3.892 10.706 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -6.461 3.086 11.578 1.00 15.00 H new ATOM 394 N THR A 255 -1.105 2.817 7.683 1.00 15.00 N ATOM 395 CA THR A 255 -1.365 3.813 6.646 1.00 15.00 C ATOM 396 C THR A 255 -1.386 3.189 5.243 1.00 15.00 C ATOM 397 O THR A 255 -0.723 2.179 5.003 1.00 15.00 O ATOM 398 CB THR A 255 -0.318 4.943 6.693 1.00 15.00 C ATOM 399 OG1 THR A 255 0.973 4.399 6.997 1.00 15.00 O ATOM 400 CG2 THR A 255 -0.689 5.989 7.733 1.00 15.00 C ATOM 0 H THR A 255 -0.307 2.209 7.497 1.00 15.00 H new ATOM 0 HA THR A 255 -2.352 4.228 6.849 1.00 15.00 H new ATOM 0 HB THR A 255 -0.292 5.423 5.715 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.634 5.122 7.024 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.067 6.774 7.745 1.00 15.00 H new ATOM 0 HG22 THR A 255 -1.658 6.422 7.484 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.742 5.522 8.716 1.00 15.00 H new ATOM 408 N THR A 256 -2.167 3.774 4.330 1.00 15.00 N ATOM 409 CA THR A 256 -2.233 3.286 2.960 1.00 15.00 C ATOM 410 C THR A 256 -1.730 4.355 1.988 1.00 15.00 C ATOM 411 O THR A 256 -2.127 5.519 2.072 1.00 15.00 O ATOM 412 CB THR A 256 -3.675 2.907 2.559 1.00 15.00 C ATOM 413 OG1 THR A 256 -4.349 2.260 3.647 1.00 15.00 O ATOM 414 CG2 THR A 256 -3.664 1.974 1.358 1.00 15.00 C ATOM 0 H THR A 256 -2.758 4.583 4.519 1.00 15.00 H new ATOM 0 HA THR A 256 -1.603 2.398 2.908 1.00 15.00 H new ATOM 0 HB THR A 256 -4.203 3.825 2.303 1.00 15.00 H new ATOM 0 HG1 THR A 256 -5.276 2.575 3.692 1.00 15.00 H new ATOM 0 HG21 THR A 256 -4.688 1.716 1.088 1.00 15.00 H new ATOM 0 HG22 THR A 256 -3.181 2.470 0.516 1.00 15.00 H new ATOM 0 HG23 THR A 256 -3.115 1.066 1.608 1.00 15.00 H new ATOM 422 N SER A 257 -0.857 3.958 1.076 1.00 15.00 N ATOM 423 CA SER A 257 -0.367 4.848 0.031 1.00 15.00 C ATOM 424 C SER A 257 -0.189 4.043 -1.252 1.00 15.00 C ATOM 425 O SER A 257 0.383 2.970 -1.217 1.00 15.00 O ATOM 426 CB SER A 257 0.955 5.489 0.461 1.00 15.00 C ATOM 427 OG SER A 257 1.342 6.520 -0.433 1.00 15.00 O ATOM 0 H SER A 257 -0.469 3.016 1.037 1.00 15.00 H new ATOM 0 HA SER A 257 -1.084 5.650 -0.143 1.00 15.00 H new ATOM 0 HB2 SER A 257 0.854 5.896 1.467 1.00 15.00 H new ATOM 0 HB3 SER A 257 1.734 4.728 0.502 1.00 15.00 H new ATOM 0 HG SER A 257 2.188 6.913 -0.133 1.00 15.00 H new ATOM 433 N TRP A 258 -0.640 4.575 -2.381 1.00 15.00 N ATOM 434 CA TRP A 258 -0.752 3.789 -3.614 1.00 15.00 C ATOM 435 C TRP A 258 0.587 3.212 -4.086 1.00 15.00 C ATOM 436 O TRP A 258 0.752 1.993 -4.180 1.00 15.00 O ATOM 437 CB TRP A 258 -1.326 4.647 -4.745 1.00 15.00 C ATOM 438 CG TRP A 258 -2.766 5.026 -4.579 1.00 15.00 C ATOM 439 CD1 TRP A 258 -3.259 6.263 -4.281 1.00 15.00 C ATOM 440 CD2 TRP A 258 -3.899 4.165 -4.727 1.00 15.00 C ATOM 441 NE1 TRP A 258 -4.631 6.223 -4.239 1.00 15.00 N ATOM 442 CE2 TRP A 258 -5.048 4.946 -4.509 1.00 15.00 C ATOM 443 CE3 TRP A 258 -4.055 2.809 -5.024 1.00 15.00 C ATOM 444 CZ2 TRP A 258 -6.332 4.416 -4.584 1.00 15.00 C ATOM 445 CZ3 TRP A 258 -5.329 2.285 -5.094 1.00 15.00 C ATOM 446 CH2 TRP A 258 -6.452 3.086 -4.877 1.00 15.00 C ATOM 0 H TRP A 258 -0.935 5.547 -2.473 1.00 15.00 H new ATOM 0 HA TRP A 258 -1.416 2.958 -3.376 1.00 15.00 H new ATOM 0 HB2 TRP A 258 -0.733 5.558 -4.828 1.00 15.00 H new ATOM 0 HB3 TRP A 258 -1.213 4.107 -5.685 1.00 15.00 H new ATOM 0 HD1 TRP A 258 -2.659 7.143 -4.104 1.00 15.00 H new ATOM 0 HE1 TRP A 258 -5.241 7.016 -4.039 1.00 15.00 H new ATOM 0 HE3 TRP A 258 -3.193 2.182 -5.196 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -7.203 5.033 -4.417 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -5.460 1.237 -5.321 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -7.436 2.646 -4.942 1.00 15.00 H new ATOM 457 N LEU A 259 1.529 4.090 -4.383 1.00 15.00 N ATOM 458 CA LEU A 259 2.735 3.714 -5.109 1.00 15.00 C ATOM 459 C LEU A 259 4.014 3.978 -4.334 1.00 15.00 C ATOM 460 O LEU A 259 4.031 4.759 -3.381 1.00 15.00 O ATOM 461 CB LEU A 259 2.775 4.346 -6.495 1.00 15.00 C ATOM 462 CG LEU A 259 2.055 3.518 -7.560 1.00 15.00 C ATOM 463 CD1 LEU A 259 2.211 4.147 -8.935 1.00 15.00 C ATOM 464 CD2 LEU A 259 2.586 2.085 -7.553 1.00 15.00 C ATOM 0 H LEU A 259 1.483 5.077 -4.131 1.00 15.00 H new ATOM 0 HA LEU A 259 2.683 2.633 -5.236 1.00 15.00 H new ATOM 0 HB2 LEU A 259 2.323 5.337 -6.448 1.00 15.00 H new ATOM 0 HB3 LEU A 259 3.814 4.484 -6.794 1.00 15.00 H new ATOM 0 HG LEU A 259 0.991 3.498 -7.325 1.00 15.00 H new ATOM 0 HD11 LEU A 259 1.690 3.539 -9.675 1.00 15.00 H new ATOM 0 HD12 LEU A 259 1.786 5.151 -8.926 1.00 15.00 H new ATOM 0 HD13 LEU A 259 3.269 4.203 -9.192 1.00 15.00 H new ATOM 0 HD21 LEU A 259 2.068 1.501 -8.314 1.00 15.00 H new ATOM 0 HD22 LEU A 259 3.655 2.092 -7.766 1.00 15.00 H new ATOM 0 HD23 LEU A 259 2.414 1.638 -6.574 1.00 15.00 H new ATOM 476 N ASP A 260 5.074 3.306 -4.777 1.00 15.00 N ATOM 477 CA ASP A 260 6.335 3.196 -4.048 1.00 15.00 C ATOM 478 C ASP A 260 6.945 4.567 -3.784 1.00 15.00 C ATOM 479 O ASP A 260 7.320 5.292 -4.707 1.00 15.00 O ATOM 480 CB ASP A 260 7.303 2.361 -4.897 1.00 15.00 C ATOM 481 CG ASP A 260 8.628 2.059 -4.221 1.00 15.00 C ATOM 482 OD1 ASP A 260 9.207 2.957 -3.575 1.00 15.00 O1- ATOM 483 OD2 ASP A 260 9.093 0.908 -4.348 1.00 15.00 O ATOM 0 H ASP A 260 5.080 2.813 -5.670 1.00 15.00 H new ATOM 0 HA ASP A 260 6.151 2.723 -3.083 1.00 15.00 H new ATOM 0 HB2 ASP A 260 6.819 1.420 -5.158 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.497 2.889 -5.830 1.00 15.00 H new ATOM 488 N PRO A 261 7.015 4.934 -2.498 1.00 15.00 N ATOM 489 CA PRO A 261 7.507 6.236 -2.055 1.00 15.00 C ATOM 490 C PRO A 261 9.029 6.332 -2.021 1.00 15.00 C ATOM 491 O PRO A 261 9.588 7.428 -1.951 1.00 15.00 O ATOM 492 CB PRO A 261 6.935 6.338 -0.646 1.00 15.00 C ATOM 493 CG PRO A 261 6.920 4.933 -0.152 1.00 15.00 C ATOM 494 CD PRO A 261 6.617 4.083 -1.357 1.00 15.00 C ATOM 0 HA PRO A 261 7.207 7.036 -2.731 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.551 6.976 -0.012 1.00 15.00 H new ATOM 0 HB3 PRO A 261 5.933 6.768 -0.654 1.00 15.00 H new ATOM 0 HG2 PRO A 261 7.880 4.662 0.288 1.00 15.00 H new ATOM 0 HG3 PRO A 261 6.165 4.798 0.623 1.00 15.00 H new ATOM 0 HD2 PRO A 261 7.179 3.149 -1.339 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.561 3.819 -1.405 1.00 15.00 H new ATOM 502 N ARG A 262 9.699 5.189 -2.021 1.00 15.00 N ATOM 503 CA ARG A 262 11.146 5.166 -1.896 1.00 15.00 C ATOM 504 C ARG A 262 11.807 5.465 -3.242 1.00 15.00 C ATOM 505 O ARG A 262 13.012 5.699 -3.321 1.00 15.00 O ATOM 506 CB ARG A 262 11.620 3.832 -1.303 1.00 15.00 C ATOM 507 CG ARG A 262 13.126 3.750 -1.094 1.00 15.00 C ATOM 508 CD ARG A 262 13.518 2.513 -0.305 1.00 15.00 C ATOM 509 NE ARG A 262 14.964 2.398 -0.139 1.00 15.00 N ATOM 510 CZ ARG A 262 15.548 1.578 0.736 1.00 15.00 C ATOM 511 NH1 ARG A 262 14.810 0.777 1.497 1.00 15.00 N1+ ATOM 512 NH2 ARG A 262 16.870 1.545 0.843 1.00 15.00 N ATOM 0 H ARG A 262 9.265 4.270 -2.106 1.00 15.00 H new ATOM 0 HA ARG A 262 11.450 5.951 -1.204 1.00 15.00 H new ATOM 0 HB2 ARG A 262 11.121 3.673 -0.347 1.00 15.00 H new ATOM 0 HB3 ARG A 262 11.310 3.022 -1.963 1.00 15.00 H new ATOM 0 HG2 ARG A 262 13.627 3.738 -2.062 1.00 15.00 H new ATOM 0 HG3 ARG A 262 13.469 4.641 -0.568 1.00 15.00 H new ATOM 0 HD2 ARG A 262 13.043 2.544 0.676 1.00 15.00 H new ATOM 0 HD3 ARG A 262 13.141 1.626 -0.813 1.00 15.00 H new ATOM 0 HE ARG A 262 15.563 2.979 -0.726 1.00 15.00 H new ATOM 0 HH11 ARG A 262 13.794 0.788 1.413 1.00 15.00 H new ATOM 0 HH12 ARG A 262 15.260 0.151 2.165 1.00 15.00 H new ATOM 0 HH21 ARG A 262 17.445 2.148 0.255 1.00 15.00 H new ATOM 0 HH22 ARG A 262 17.312 0.916 1.514 1.00 15.00 H new ATOM 526 N LEU A 263 11.011 5.455 -4.303 1.00 15.00 N ATOM 527 CA LEU A 263 11.495 5.859 -5.618 1.00 15.00 C ATOM 528 C LEU A 263 11.519 7.380 -5.764 1.00 15.00 C ATOM 529 O LEU A 263 12.078 7.902 -6.727 1.00 15.00 O ATOM 530 CB LEU A 263 10.648 5.235 -6.737 1.00 15.00 C ATOM 531 CG LEU A 263 11.131 3.873 -7.256 1.00 15.00 C ATOM 532 CD1 LEU A 263 12.454 4.027 -7.988 1.00 15.00 C ATOM 533 CD2 LEU A 263 11.276 2.871 -6.125 1.00 15.00 C ATOM 0 H LEU A 263 10.031 5.173 -4.280 1.00 15.00 H new ATOM 0 HA LEU A 263 12.517 5.491 -5.709 1.00 15.00 H new ATOM 0 HB2 LEU A 263 9.626 5.124 -6.375 1.00 15.00 H new ATOM 0 HB3 LEU A 263 10.615 5.932 -7.575 1.00 15.00 H new ATOM 0 HG LEU A 263 10.380 3.495 -7.949 1.00 15.00 H new ATOM 0 HD11 LEU A 263 12.785 3.054 -8.351 1.00 15.00 H new ATOM 0 HD12 LEU A 263 12.326 4.704 -8.832 1.00 15.00 H new ATOM 0 HD13 LEU A 263 13.202 4.434 -7.307 1.00 15.00 H new ATOM 0 HD21 LEU A 263 11.619 1.917 -6.526 1.00 15.00 H new ATOM 0 HD22 LEU A 263 12.001 3.242 -5.401 1.00 15.00 H new ATOM 0 HD23 LEU A 263 10.312 2.733 -5.635 1.00 15.00 H new ATOM 545 N ASP A 264 10.899 8.087 -4.823 1.00 15.00 N ATOM 546 CA ASP A 264 10.909 9.553 -4.851 1.00 15.00 C ATOM 547 C ASP A 264 12.318 10.148 -4.689 1.00 15.00 C ATOM 548 O ASP A 264 12.704 11.026 -5.461 1.00 15.00 O ATOM 549 CB ASP A 264 9.959 10.148 -3.805 1.00 15.00 C ATOM 550 CG ASP A 264 8.507 10.077 -4.222 1.00 15.00 C ATOM 551 OD1 ASP A 264 8.034 11.014 -4.899 1.00 15.00 O ATOM 552 OD2 ASP A 264 7.823 9.098 -3.863 1.00 15.00 O1- ATOM 0 H ASP A 264 10.389 7.679 -4.040 1.00 15.00 H new ATOM 0 HA ASP A 264 10.553 9.830 -5.843 1.00 15.00 H new ATOM 0 HB2 ASP A 264 10.087 9.618 -2.861 1.00 15.00 H new ATOM 0 HB3 ASP A 264 10.230 11.188 -3.625 1.00 15.00 H new ATOM 557 N PRO A 265 13.090 9.720 -3.674 1.00 15.00 N ATOM 558 CA PRO A 265 14.495 10.118 -3.528 1.00 15.00 C ATOM 559 C PRO A 265 15.365 9.567 -4.655 1.00 15.00 C ATOM 560 O PRO A 265 15.617 8.341 -4.672 1.00 15.00 O ATOM 561 CB PRO A 265 14.911 9.508 -2.185 1.00 15.00 C ATOM 562 CG PRO A 265 13.935 8.412 -1.940 1.00 15.00 C ATOM 563 CD PRO A 265 12.651 8.862 -2.570 1.00 15.00 C ATOM 564 OXT PRO A 265 15.805 10.359 -5.512 1.00 15.00 O ATOM 0 HA PRO A 265 14.617 11.200 -3.569 1.00 15.00 H new ATOM 0 HB2 PRO A 265 15.931 9.126 -2.224 1.00 15.00 H new ATOM 0 HB3 PRO A 265 14.879 10.250 -1.388 1.00 15.00 H new ATOM 0 HG2 PRO A 265 14.279 7.476 -2.379 1.00 15.00 H new ATOM 0 HG3 PRO A 265 13.806 8.234 -0.872 1.00 15.00 H new ATOM 0 HD2 PRO A 265 12.063 8.017 -2.928 1.00 15.00 H new ATOM 0 HD3 PRO A 265 12.027 9.408 -1.862 1.00 15.00 H new TER 572 PRO A 265 ATOM 573 N SER B 206 -6.675 10.690 -5.082 1.00 15.00 N ATOM 574 CA SER B 206 -7.614 9.637 -4.647 1.00 15.00 C ATOM 575 C SER B 206 -7.134 8.993 -3.351 1.00 15.00 C ATOM 576 O SER B 206 -6.032 8.446 -3.289 1.00 15.00 O ATOM 577 CB SER B 206 -7.755 8.579 -5.748 1.00 15.00 C ATOM 578 OG SER B 206 -6.484 8.137 -6.202 1.00 15.00 O ATOM 0 HA SER B 206 -8.588 10.090 -4.463 1.00 15.00 H new ATOM 0 HB2 SER B 206 -8.324 7.730 -5.369 1.00 15.00 H new ATOM 0 HB3 SER B 206 -8.319 8.993 -6.584 1.00 15.00 H new ATOM 0 HG SER B 206 -5.816 8.833 -6.032 1.00 15.00 H new ATOM 586 N PRO B 207 -7.944 9.072 -2.288 1.00 15.00 N ATOM 587 CA PRO B 207 -7.636 8.427 -1.010 1.00 15.00 C ATOM 588 C PRO B 207 -7.623 6.909 -1.142 1.00 15.00 C ATOM 589 O PRO B 207 -8.588 6.316 -1.630 1.00 15.00 O ATOM 590 CB PRO B 207 -8.777 8.872 -0.085 1.00 15.00 C ATOM 591 CG PRO B 207 -9.413 10.032 -0.771 1.00 15.00 C ATOM 592 CD PRO B 207 -9.218 9.803 -2.240 1.00 15.00 C ATOM 0 HA PRO B 207 -6.650 8.704 -0.638 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.494 8.066 0.070 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -8.399 9.156 0.897 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -10.473 10.098 -0.524 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -8.954 10.970 -0.458 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.034 9.223 -2.671 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -9.167 10.741 -2.793 1.00 15.00 H new ATOM 600 N PRO B 208 -6.529 6.260 -0.720 1.00 15.00 N ATOM 601 CA PRO B 208 -6.386 4.809 -0.811 1.00 15.00 C ATOM 602 C PRO B 208 -7.260 4.094 0.213 1.00 15.00 C ATOM 603 O PRO B 208 -7.445 4.586 1.329 1.00 15.00 O ATOM 604 CB PRO B 208 -4.896 4.567 -0.508 1.00 15.00 C ATOM 605 CG PRO B 208 -4.260 5.917 -0.484 1.00 15.00 C ATOM 606 CD PRO B 208 -5.348 6.874 -0.106 1.00 15.00 C ATOM 0 HA PRO B 208 -6.696 4.426 -1.783 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.769 4.058 0.448 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.440 3.934 -1.269 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.442 5.951 0.235 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.839 6.168 -1.458 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -5.452 6.965 0.975 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.162 7.876 -0.494 1.00 15.00 H new ATOM 614 N PRO B 209 -7.803 2.922 -0.160 1.00 15.00 N ATOM 615 CA PRO B 209 -8.640 2.101 0.719 1.00 15.00 C ATOM 616 C PRO B 209 -8.010 1.887 2.091 1.00 15.00 C ATOM 617 O PRO B 209 -6.804 1.648 2.203 1.00 15.00 O ATOM 618 CB PRO B 209 -8.752 0.762 -0.029 1.00 15.00 C ATOM 619 CG PRO B 209 -7.784 0.847 -1.163 1.00 15.00 C ATOM 620 CD PRO B 209 -7.660 2.305 -1.480 1.00 15.00 C ATOM 0 HA PRO B 209 -9.601 2.576 0.916 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -8.512 -0.074 0.628 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -9.767 0.601 -0.392 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -6.819 0.423 -0.887 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -8.143 0.287 -2.027 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -6.700 2.542 -1.938 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -8.434 2.639 -2.171 1.00 15.00 H new ATOM 628 N PRO B 210 -8.831 1.965 3.150 1.00 15.00 N ATOM 629 CA PRO B 210 -8.372 1.823 4.531 1.00 15.00 C ATOM 630 C PRO B 210 -7.549 0.562 4.753 1.00 15.00 C ATOM 631 O PRO B 210 -7.984 -0.543 4.433 1.00 15.00 O ATOM 632 CB PRO B 210 -9.672 1.756 5.334 1.00 15.00 C ATOM 633 CG PRO B 210 -10.661 2.484 4.500 1.00 15.00 C ATOM 634 CD PRO B 210 -10.284 2.196 3.075 1.00 15.00 C ATOM 0 HA PRO B 210 -7.714 2.642 4.820 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -9.980 0.725 5.506 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -9.559 2.222 6.313 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.675 2.146 4.712 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -10.632 3.554 4.704 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.811 1.324 2.688 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.525 3.032 2.418 1.00 15.00 H new ATOM 642 N TYR B 211 -6.365 0.751 5.321 1.00 15.00 N ATOM 643 CA TYR B 211 -5.440 -0.339 5.623 1.00 15.00 C ATOM 644 C TYR B 211 -6.048 -1.369 6.591 1.00 15.00 C ATOM 645 O TYR B 211 -5.492 -2.450 6.788 1.00 15.00 O ATOM 646 CB TYR B 211 -4.136 0.261 6.182 1.00 15.00 C ATOM 647 CG TYR B 211 -3.369 -0.637 7.122 1.00 15.00 C ATOM 648 CD1 TYR B 211 -2.534 -1.641 6.650 1.00 15.00 C ATOM 649 CD2 TYR B 211 -3.495 -0.480 8.493 1.00 15.00 C ATOM 650 CE1 TYR B 211 -1.849 -2.463 7.524 1.00 15.00 C ATOM 651 CE2 TYR B 211 -2.813 -1.290 9.371 1.00 15.00 C ATOM 652 CZ TYR B 211 -1.992 -2.281 8.884 1.00 15.00 C ATOM 653 OH TYR B 211 -1.317 -3.097 9.760 1.00 15.00 O ATOM 0 H TYR B 211 -6.015 1.671 5.588 1.00 15.00 H new ATOM 0 HA TYR B 211 -5.227 -0.885 4.704 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -3.488 0.524 5.346 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -4.375 1.188 6.704 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -2.418 -1.781 5.585 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -4.142 0.294 8.880 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -1.206 -3.243 7.145 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -2.921 -1.149 10.436 1.00 15.00 H new ATOM 0 HH TYR B 211 -1.527 -2.834 10.680 1.00 15.00 H new ATOM 663 N SER B 212 -7.204 -1.048 7.166 1.00 15.00 N ATOM 664 CA SER B 212 -7.824 -1.914 8.160 1.00 15.00 C ATOM 665 C SER B 212 -8.123 -3.292 7.567 1.00 15.00 C ATOM 666 O SER B 212 -8.013 -4.308 8.255 1.00 15.00 O ATOM 667 CB SER B 212 -9.107 -1.269 8.688 1.00 15.00 C ATOM 668 OG SER B 212 -8.869 0.073 9.092 1.00 15.00 O ATOM 0 H SER B 212 -7.728 -0.197 6.960 1.00 15.00 H new ATOM 0 HA SER B 212 -7.128 -2.046 8.989 1.00 15.00 H new ATOM 0 HB2 SER B 212 -9.875 -1.290 7.914 1.00 15.00 H new ATOM 0 HB3 SER B 212 -9.488 -1.845 9.531 1.00 15.00 H new ATOM 0 HG SER B 212 -9.702 0.467 9.425 1.00 15.00 H new ATOM 674 N ARG B 213 -8.518 -3.330 6.299 1.00 15.00 N ATOM 675 CA ARG B 213 -8.645 -4.595 5.593 1.00 15.00 C ATOM 676 C ARG B 213 -8.384 -4.415 4.103 1.00 15.00 C ATOM 677 O ARG B 213 -8.394 -3.298 3.594 1.00 15.00 O ATOM 678 CB ARG B 213 -10.004 -5.247 5.800 1.00 15.00 C ATOM 679 CG ARG B 213 -9.924 -6.749 5.620 1.00 15.00 C ATOM 680 CD ARG B 213 -9.619 -7.445 6.935 1.00 15.00 C ATOM 681 NE ARG B 213 -10.705 -7.282 7.900 1.00 15.00 N ATOM 682 CZ ARG B 213 -10.808 -7.983 9.028 1.00 15.00 C ATOM 683 NH1 ARG B 213 -9.863 -8.849 9.364 1.00 15.00 N1+ ATOM 684 NH2 ARG B 213 -11.852 -7.803 9.823 1.00 15.00 N ATOM 0 H ARG B 213 -8.753 -2.506 5.745 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.892 -5.259 6.016 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.372 -5.017 6.800 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -10.721 -4.831 5.093 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.867 -7.120 5.219 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -9.151 -6.990 4.890 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -9.450 -8.506 6.754 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.697 -7.042 7.354 1.00 15.00 H new ATOM 0 HE ARG B 213 -11.427 -6.590 7.698 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -9.053 -8.981 8.758 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -9.945 -9.384 10.229 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -12.575 -7.129 9.571 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -11.933 -8.339 10.687 1.00 15.00 H new ATOM 698 N TYR B 214 -8.171 -5.529 3.413 1.00 15.00 N ATOM 699 CA TYR B 214 -7.755 -5.505 2.016 1.00 15.00 C ATOM 700 C TYR B 214 -8.975 -5.648 1.115 1.00 15.00 C ATOM 701 O TYR B 214 -9.608 -6.703 1.081 1.00 15.00 O ATOM 702 CB TYR B 214 -6.744 -6.636 1.731 1.00 15.00 C ATOM 703 CG TYR B 214 -5.673 -6.796 2.800 1.00 15.00 C ATOM 704 CD1 TYR B 214 -5.482 -5.820 3.763 1.00 15.00 C ATOM 705 CD2 TYR B 214 -4.879 -7.934 2.862 1.00 15.00 C ATOM 706 CE1 TYR B 214 -4.552 -5.958 4.753 1.00 15.00 C ATOM 707 CE2 TYR B 214 -3.925 -8.082 3.856 1.00 15.00 C ATOM 708 CZ TYR B 214 -3.768 -7.089 4.802 1.00 15.00 C ATOM 709 OH TYR B 214 -2.830 -7.227 5.802 1.00 15.00 O ATOM 0 H TYR B 214 -8.280 -6.466 3.801 1.00 15.00 H new ATOM 0 HA TYR B 214 -7.268 -4.552 1.810 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -7.286 -7.576 1.631 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.260 -6.444 0.773 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.085 -4.925 3.730 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -5.007 -8.714 2.126 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -4.432 -5.183 5.495 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -3.309 -8.968 3.890 1.00 15.00 H new ATOM 0 HH TYR B 214 -2.361 -8.081 5.695 1.00 15.00 H new ATOM 719 N PRO B 215 -9.341 -4.577 0.403 1.00 15.00 N ATOM 720 CA PRO B 215 -10.524 -4.570 -0.452 1.00 15.00 C ATOM 721 C PRO B 215 -10.334 -5.365 -1.740 1.00 15.00 C ATOM 722 O PRO B 215 -9.538 -4.998 -2.608 1.00 15.00 O ATOM 723 CB PRO B 215 -10.724 -3.087 -0.761 1.00 15.00 C ATOM 724 CG PRO B 215 -9.358 -2.503 -0.678 1.00 15.00 C ATOM 725 CD PRO B 215 -8.637 -3.282 0.386 1.00 15.00 C ATOM 0 HA PRO B 215 -11.377 -5.041 0.037 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -11.158 -2.943 -1.750 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -11.400 -2.620 -0.045 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -8.842 -2.580 -1.635 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -9.401 -1.444 -0.424 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -7.580 -3.403 0.148 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -8.691 -2.784 1.354 1.00 15.00 H new ATOM 733 N MET B 216 -11.042 -6.475 -1.844 1.00 15.00 N ATOM 734 CA MET B 216 -11.058 -7.256 -3.071 1.00 15.00 C ATOM 735 C MET B 216 -12.362 -6.994 -3.809 1.00 15.00 C ATOM 736 O MET B 216 -12.429 -7.059 -5.039 1.00 15.00 O ATOM 737 CB MET B 216 -10.911 -8.750 -2.766 1.00 15.00 C ATOM 738 CG MET B 216 -10.937 -9.635 -4.004 1.00 15.00 C ATOM 739 SD MET B 216 -10.881 -11.393 -3.605 1.00 15.00 S ATOM 740 CE MET B 216 -12.380 -11.571 -2.638 1.00 15.00 C ATOM 0 H MET B 216 -11.615 -6.858 -1.092 1.00 15.00 H new ATOM 0 HA MET B 216 -10.216 -6.958 -3.696 1.00 15.00 H new ATOM 0 HB2 MET B 216 -9.973 -8.912 -2.234 1.00 15.00 H new ATOM 0 HB3 MET B 216 -11.714 -9.055 -2.096 1.00 15.00 H new ATOM 0 HG2 MET B 216 -11.841 -9.425 -4.576 1.00 15.00 H new ATOM 0 HG3 MET B 216 -10.090 -9.384 -4.642 1.00 15.00 H new ATOM 0 HE1 MET B 216 -12.707 -12.610 -2.662 1.00 15.00 H new ATOM 0 HE2 MET B 216 -12.185 -11.276 -1.607 1.00 15.00 H new ATOM 0 HE3 MET B 216 -13.160 -10.935 -3.056 1.00 15.00 H new ATOM 750 N ASP B 217 -13.392 -6.706 -3.026 1.00 15.00 N ATOM 751 CA ASP B 217 -14.719 -6.407 -3.540 1.00 15.00 C ATOM 752 C ASP B 217 -15.628 -6.054 -2.374 1.00 15.00 C ATOM 753 O ASP B 217 -16.144 -6.981 -1.716 1.00 15.00 O ATOM 754 CB ASP B 217 -15.293 -7.599 -4.319 1.00 15.00 C ATOM 755 CG ASP B 217 -16.632 -7.288 -4.962 1.00 15.00 C ATOM 756 OD1 ASP B 217 -16.645 -6.705 -6.071 1.00 15.00 O1- ATOM 757 OD2 ASP B 217 -17.672 -7.637 -4.375 1.00 15.00 O ATOM 758 OXT ASP B 217 -15.783 -4.851 -2.081 1.00 15.00 O ATOM 0 H ASP B 217 -13.329 -6.673 -2.008 1.00 15.00 H new ATOM 0 HA ASP B 217 -14.652 -5.565 -4.229 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -14.584 -7.898 -5.091 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -15.407 -8.448 -3.645 1.00 15.00 H new TER 763 ASP B 217