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 :FLIP no HD1:sc= 0.638 F(o=-2.3,f=-0.71) USER MOD Set 1.2: B 211 TYR OH : rot -20:sc= -1.35! USER MOD Set 2.1: A 250 ASN : amide:sc= 0.315 K(o=0.33,f=-12!) USER MOD Set 2.2: A 253 ASN : amide:sc= 0.0147 K(o=0.33,f=-3.5!) USER MOD Single : A 238 GLN : amide:sc= -2.32! C(o=-2.3!,f=-2!) USER MOD Single : A 240 MET CE :methyl -160:sc= -0.204 (180deg=-0.915) USER MOD Single : A 241 THR OG1 : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 247 TYR OH : rot 180:sc=-0.00137 USER MOD Single : A 248 TYR OH : rot 180:sc= -2.24! USER MOD Single : A 252 LYS NZ :NH3+ -176:sc= 1.33 (180deg=1.14) USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 THR OG1 : rot 177:sc= 0.498 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 206 SER OG : rot -22:sc= 0.216 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 159:sc= 0 (180deg=-0.657) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 10.496 0.284 -6.487 1.00 15.00 N ATOM 2 CA GLY A 230 11.750 -0.389 -6.070 1.00 15.00 C ATOM 3 C GLY A 230 11.569 -1.129 -4.766 1.00 15.00 C ATOM 4 O GLY A 230 10.457 -1.548 -4.452 1.00 15.00 O ATOM 0 HA2 GLY A 230 12.066 -1.087 -6.846 1.00 15.00 H new ATOM 0 HA3 GLY A 230 12.544 0.350 -5.964 1.00 15.00 H new ATOM 10 N PRO A 231 12.646 -1.335 -3.993 1.00 15.00 N ATOM 11 CA PRO A 231 12.550 -1.943 -2.667 1.00 15.00 C ATOM 12 C PRO A 231 11.928 -0.979 -1.657 1.00 15.00 C ATOM 13 O PRO A 231 12.452 0.112 -1.421 1.00 15.00 O ATOM 14 CB PRO A 231 14.006 -2.250 -2.305 1.00 15.00 C ATOM 15 CG PRO A 231 14.811 -1.273 -3.093 1.00 15.00 C ATOM 16 CD PRO A 231 14.036 -1.002 -4.355 1.00 15.00 C ATOM 0 HA PRO A 231 11.913 -2.827 -2.657 1.00 15.00 H new ATOM 0 HB2 PRO A 231 14.180 -2.134 -1.235 1.00 15.00 H new ATOM 0 HB3 PRO A 231 14.269 -3.276 -2.561 1.00 15.00 H new ATOM 0 HG2 PRO A 231 14.967 -0.354 -2.528 1.00 15.00 H new ATOM 0 HG3 PRO A 231 15.797 -1.678 -3.322 1.00 15.00 H new ATOM 0 HD2 PRO A 231 14.130 0.038 -4.666 1.00 15.00 H new ATOM 0 HD3 PRO A 231 14.392 -1.616 -5.182 1.00 15.00 H new ATOM 24 N LEU A 232 10.803 -1.375 -1.074 1.00 15.00 N ATOM 25 CA LEU A 232 10.062 -0.490 -0.183 1.00 15.00 C ATOM 26 C LEU A 232 10.729 -0.385 1.179 1.00 15.00 C ATOM 27 O LEU A 232 11.521 -1.247 1.554 1.00 15.00 O ATOM 28 CB LEU A 232 8.593 -0.881 0.033 1.00 15.00 C ATOM 29 CG LEU A 232 7.609 -0.540 -1.083 1.00 15.00 C ATOM 30 CD1 LEU A 232 7.146 0.910 -1.078 1.00 15.00 C ATOM 31 CD2 LEU A 232 8.164 -0.906 -2.442 1.00 15.00 C ATOM 0 H LEU A 232 10.386 -2.297 -1.201 1.00 15.00 H new ATOM 0 HA LEU A 232 10.074 0.470 -0.699 1.00 15.00 H new ATOM 0 HB2 LEU A 232 8.551 -1.957 0.203 1.00 15.00 H new ATOM 0 HB3 LEU A 232 8.246 -0.400 0.948 1.00 15.00 H new ATOM 0 HG LEU A 232 6.727 -1.147 -0.879 1.00 15.00 H new ATOM 0 HD11 LEU A 232 6.449 1.072 -1.901 1.00 15.00 H new ATOM 0 HD12 LEU A 232 6.649 1.130 -0.133 1.00 15.00 H new ATOM 0 HD13 LEU A 232 8.007 1.567 -1.197 1.00 15.00 H new ATOM 0 HD21 LEU A 232 7.437 -0.650 -3.213 1.00 15.00 H new ATOM 0 HD22 LEU A 232 9.089 -0.356 -2.618 1.00 15.00 H new ATOM 0 HD23 LEU A 232 8.367 -1.976 -2.476 1.00 15.00 H new ATOM 43 N PRO A 233 10.395 0.670 1.947 1.00 15.00 N ATOM 44 CA PRO A 233 10.987 0.955 3.274 1.00 15.00 C ATOM 45 C PRO A 233 10.772 -0.168 4.299 1.00 15.00 C ATOM 46 O PRO A 233 11.300 -0.102 5.410 1.00 15.00 O ATOM 47 CB PRO A 233 10.222 2.220 3.683 1.00 15.00 C ATOM 48 CG PRO A 233 9.956 2.859 2.380 1.00 15.00 C ATOM 49 CD PRO A 233 9.384 1.707 1.628 1.00 15.00 C ATOM 0 HA PRO A 233 12.071 1.058 3.234 1.00 15.00 H new ATOM 0 HB2 PRO A 233 9.301 1.984 4.216 1.00 15.00 H new ATOM 0 HB3 PRO A 233 10.814 2.860 4.337 1.00 15.00 H new ATOM 0 HG2 PRO A 233 9.256 3.691 2.461 1.00 15.00 H new ATOM 0 HG3 PRO A 233 10.862 3.249 1.916 1.00 15.00 H new ATOM 0 HD2 PRO A 233 8.386 1.437 1.973 1.00 15.00 H new ATOM 0 HD3 PRO A 233 9.309 1.902 0.558 1.00 15.00 H new ATOM 57 N ASP A 234 9.930 -1.141 3.931 1.00 15.00 N ATOM 58 CA ASP A 234 9.622 -2.323 4.760 1.00 15.00 C ATOM 59 C ASP A 234 8.549 -2.019 5.788 1.00 15.00 C ATOM 60 O ASP A 234 8.269 -2.829 6.668 1.00 15.00 O ATOM 61 CB ASP A 234 10.860 -2.893 5.463 1.00 15.00 C ATOM 62 CG ASP A 234 11.687 -3.803 4.579 1.00 15.00 C ATOM 63 OD1 ASP A 234 11.199 -4.897 4.221 1.00 15.00 O1- ATOM 64 OD2 ASP A 234 12.837 -3.440 4.258 1.00 15.00 O ATOM 0 H ASP A 234 9.435 -1.134 3.039 1.00 15.00 H new ATOM 0 HA ASP A 234 9.251 -3.080 4.069 1.00 15.00 H new ATOM 0 HB2 ASP A 234 11.484 -2.069 5.809 1.00 15.00 H new ATOM 0 HB3 ASP A 234 10.544 -3.446 6.347 1.00 15.00 H new ATOM 69 N GLY A 235 7.930 -0.863 5.664 1.00 15.00 N ATOM 70 CA GLY A 235 6.778 -0.566 6.485 1.00 15.00 C ATOM 71 C GLY A 235 5.506 -1.041 5.817 1.00 15.00 C ATOM 72 O GLY A 235 4.507 -1.324 6.476 1.00 15.00 O ATOM 0 H GLY A 235 8.200 -0.125 5.013 1.00 15.00 H new ATOM 0 HA2 GLY A 235 6.885 -1.047 7.457 1.00 15.00 H new ATOM 0 HA3 GLY A 235 6.721 0.508 6.665 1.00 15.00 H new ATOM 76 N TRP A 236 5.574 -1.173 4.499 1.00 15.00 N ATOM 77 CA TRP A 236 4.406 -1.476 3.689 1.00 15.00 C ATOM 78 C TRP A 236 4.687 -2.451 2.564 1.00 15.00 C ATOM 79 O TRP A 236 5.784 -2.498 2.006 1.00 15.00 O ATOM 80 CB TRP A 236 3.760 -0.202 3.141 1.00 15.00 C ATOM 81 CG TRP A 236 4.689 0.952 2.907 1.00 15.00 C ATOM 82 CD1 TRP A 236 6.004 0.928 2.550 1.00 15.00 C ATOM 83 CD2 TRP A 236 4.337 2.330 3.043 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.486 2.207 2.483 1.00 15.00 N ATOM 85 CE2 TRP A 236 5.482 3.084 2.778 1.00 15.00 C ATOM 86 CE3 TRP A 236 3.156 2.988 3.368 1.00 15.00 C ATOM 87 CZ2 TRP A 236 5.487 4.477 2.836 1.00 15.00 C ATOM 88 CZ3 TRP A 236 3.154 4.367 3.423 1.00 15.00 C ATOM 89 CH2 TRP A 236 4.316 5.100 3.161 1.00 15.00 C ATOM 0 H TRP A 236 6.437 -1.073 3.965 1.00 15.00 H new ATOM 0 HA TRP A 236 3.704 -1.968 4.362 1.00 15.00 H new ATOM 0 HB2 TRP A 236 3.266 -0.443 2.200 1.00 15.00 H new ATOM 0 HB3 TRP A 236 2.983 0.117 3.836 1.00 15.00 H new ATOM 0 HD1 TRP A 236 6.578 0.035 2.350 1.00 15.00 H new ATOM 0 HE1 TRP A 236 7.445 2.465 2.249 1.00 15.00 H new ATOM 0 HE3 TRP A 236 2.255 2.429 3.574 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 6.384 5.043 2.631 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 2.241 4.888 3.672 1.00 15.00 H new ATOM 0 HH2 TRP A 236 4.287 6.178 3.217 1.00 15.00 H new ATOM 100 N GLU A 237 3.649 -3.200 2.236 1.00 15.00 N ATOM 101 CA GLU A 237 3.688 -4.222 1.214 1.00 15.00 C ATOM 102 C GLU A 237 2.571 -3.937 0.207 1.00 15.00 C ATOM 103 O GLU A 237 1.490 -3.485 0.599 1.00 15.00 O ATOM 104 CB GLU A 237 3.501 -5.584 1.891 1.00 15.00 C ATOM 105 CG GLU A 237 3.509 -6.762 0.941 1.00 15.00 C ATOM 106 CD GLU A 237 4.784 -6.843 0.123 1.00 15.00 C ATOM 107 OE1 GLU A 237 5.783 -7.393 0.628 1.00 15.00 O ATOM 108 OE2 GLU A 237 4.798 -6.352 -1.026 1.00 15.00 O1- ATOM 0 H GLU A 237 2.737 -3.110 2.685 1.00 15.00 H new ATOM 0 HA GLU A 237 4.640 -4.227 0.683 1.00 15.00 H new ATOM 0 HB2 GLU A 237 4.293 -5.722 2.627 1.00 15.00 H new ATOM 0 HB3 GLU A 237 2.557 -5.579 2.435 1.00 15.00 H new ATOM 0 HG2 GLU A 237 3.388 -7.684 1.510 1.00 15.00 H new ATOM 0 HG3 GLU A 237 2.654 -6.688 0.269 1.00 15.00 H new ATOM 115 N GLN A 238 2.807 -4.212 -1.072 1.00 15.00 N ATOM 116 CA GLN A 238 1.855 -3.829 -2.108 1.00 15.00 C ATOM 117 C GLN A 238 0.823 -4.940 -2.351 1.00 15.00 C ATOM 118 O GLN A 238 1.187 -6.086 -2.617 1.00 15.00 O ATOM 119 CB GLN A 238 2.591 -3.447 -3.408 1.00 15.00 C ATOM 120 CG GLN A 238 1.684 -3.295 -4.617 1.00 15.00 C ATOM 121 CD GLN A 238 1.589 -4.566 -5.440 1.00 15.00 C ATOM 122 OE1 GLN A 238 2.545 -5.338 -5.529 1.00 15.00 O ATOM 123 NE2 GLN A 238 0.433 -4.804 -6.032 1.00 15.00 N ATOM 0 H GLN A 238 3.639 -4.693 -1.413 1.00 15.00 H new ATOM 0 HA GLN A 238 1.310 -2.951 -1.762 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.124 -2.510 -3.248 1.00 15.00 H new ATOM 0 HB3 GLN A 238 3.341 -4.208 -3.624 1.00 15.00 H new ATOM 0 HG2 GLN A 238 0.687 -3.007 -4.284 1.00 15.00 H new ATOM 0 HG3 GLN A 238 2.056 -2.486 -5.246 1.00 15.00 H new ATOM 0 HE21 GLN A 238 -0.336 -4.141 -5.935 1.00 15.00 H new ATOM 0 HE22 GLN A 238 0.309 -5.651 -6.586 1.00 15.00 H new ATOM 132 N ALA A 239 -0.468 -4.597 -2.256 1.00 15.00 N ATOM 133 CA ALA A 239 -1.541 -5.555 -2.459 1.00 15.00 C ATOM 134 C ALA A 239 -2.304 -5.232 -3.739 1.00 15.00 C ATOM 135 O ALA A 239 -2.367 -4.072 -4.158 1.00 15.00 O ATOM 136 CB ALA A 239 -2.480 -5.563 -1.262 1.00 15.00 C ATOM 0 H ALA A 239 -0.787 -3.653 -2.038 1.00 15.00 H new ATOM 0 HA ALA A 239 -1.106 -6.549 -2.559 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -3.278 -6.286 -1.430 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -1.924 -5.838 -0.366 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.911 -4.571 -1.131 1.00 15.00 H new ATOM 142 N MET A 240 -2.849 -6.260 -4.368 1.00 15.00 N ATOM 143 CA MET A 240 -3.581 -6.103 -5.617 1.00 15.00 C ATOM 144 C MET A 240 -5.083 -6.040 -5.362 1.00 15.00 C ATOM 145 O MET A 240 -5.640 -6.910 -4.691 1.00 15.00 O ATOM 146 CB MET A 240 -3.280 -7.278 -6.554 1.00 15.00 C ATOM 147 CG MET A 240 -1.852 -7.308 -7.075 1.00 15.00 C ATOM 148 SD MET A 240 -1.498 -5.954 -8.212 1.00 15.00 S ATOM 149 CE MET A 240 -2.678 -6.285 -9.519 1.00 15.00 C ATOM 0 H MET A 240 -2.798 -7.221 -4.031 1.00 15.00 H new ATOM 0 HA MET A 240 -3.261 -5.170 -6.080 1.00 15.00 H new ATOM 0 HB2 MET A 240 -3.482 -8.210 -6.027 1.00 15.00 H new ATOM 0 HB3 MET A 240 -3.964 -7.237 -7.402 1.00 15.00 H new ATOM 0 HG2 MET A 240 -1.161 -7.260 -6.233 1.00 15.00 H new ATOM 0 HG3 MET A 240 -1.674 -8.257 -7.580 1.00 15.00 H new ATOM 0 HE1 MET A 240 -2.362 -5.779 -10.431 1.00 15.00 H new ATOM 0 HE2 MET A 240 -2.730 -7.359 -9.699 1.00 15.00 H new ATOM 0 HE3 MET A 240 -3.661 -5.919 -9.223 1.00 15.00 H new ATOM 159 N THR A 241 -5.733 -5.013 -5.893 1.00 15.00 N ATOM 160 CA THR A 241 -7.185 -4.959 -5.878 1.00 15.00 C ATOM 161 C THR A 241 -7.715 -5.010 -7.307 1.00 15.00 C ATOM 162 O THR A 241 -7.156 -4.370 -8.213 1.00 15.00 O ATOM 163 CB THR A 241 -7.734 -3.710 -5.140 1.00 15.00 C ATOM 164 OG1 THR A 241 -9.168 -3.755 -5.101 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.291 -2.415 -5.805 1.00 15.00 C ATOM 0 H THR A 241 -5.281 -4.213 -6.336 1.00 15.00 H new ATOM 0 HA THR A 241 -7.537 -5.827 -5.321 1.00 15.00 H new ATOM 0 HB THR A 241 -7.329 -3.727 -4.128 1.00 15.00 H new ATOM 0 HG1 THR A 241 -9.507 -2.964 -4.632 1.00 15.00 H new ATOM 0 HG21 THR A 241 -7.698 -1.566 -5.256 1.00 15.00 H new ATOM 0 HG22 THR A 241 -6.202 -2.359 -5.804 1.00 15.00 H new ATOM 0 HG23 THR A 241 -7.655 -2.390 -6.832 1.00 15.00 H new ATOM 173 N GLN A 242 -8.795 -5.772 -7.499 1.00 15.00 N ATOM 174 CA GLN A 242 -9.354 -6.032 -8.825 1.00 15.00 C ATOM 175 C GLN A 242 -9.858 -4.749 -9.491 1.00 15.00 C ATOM 176 O GLN A 242 -10.196 -4.744 -10.674 1.00 15.00 O ATOM 177 CB GLN A 242 -10.475 -7.076 -8.736 1.00 15.00 C ATOM 178 CG GLN A 242 -10.994 -7.533 -10.093 1.00 15.00 C ATOM 179 CD GLN A 242 -12.019 -8.643 -9.990 1.00 15.00 C ATOM 180 OE1 GLN A 242 -12.739 -8.750 -8.999 1.00 15.00 O ATOM 181 NE2 GLN A 242 -12.100 -9.470 -11.019 1.00 15.00 N ATOM 0 H GLN A 242 -9.305 -6.225 -6.740 1.00 15.00 H new ATOM 0 HA GLN A 242 -8.554 -6.428 -9.450 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -10.109 -7.943 -8.186 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -11.303 -6.660 -8.162 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -11.438 -6.683 -10.611 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -10.156 -7.875 -10.700 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -11.484 -9.346 -11.822 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -12.779 -10.231 -11.009 1.00 15.00 H new ATOM 190 N ASP A 243 -9.909 -3.661 -8.727 1.00 15.00 N ATOM 191 CA ASP A 243 -10.240 -2.348 -9.284 1.00 15.00 C ATOM 192 C ASP A 243 -9.177 -1.929 -10.305 1.00 15.00 C ATOM 193 O ASP A 243 -9.361 -0.987 -11.076 1.00 15.00 O ATOM 194 CB ASP A 243 -10.344 -1.302 -8.169 1.00 15.00 C ATOM 195 CG ASP A 243 -10.997 -0.010 -8.628 1.00 15.00 C ATOM 196 OD1 ASP A 243 -12.245 0.077 -8.584 1.00 15.00 O1- ATOM 197 OD2 ASP A 243 -10.275 0.929 -9.019 1.00 15.00 O ATOM 0 H ASP A 243 -9.726 -3.660 -7.723 1.00 15.00 H new ATOM 0 HA ASP A 243 -11.206 -2.415 -9.785 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -10.917 -1.718 -7.340 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -9.346 -1.083 -7.789 1.00 15.00 H new ATOM 202 N GLY A 244 -8.063 -2.658 -10.303 1.00 15.00 N ATOM 203 CA GLY A 244 -6.995 -2.412 -11.248 1.00 15.00 C ATOM 204 C GLY A 244 -5.885 -1.551 -10.676 1.00 15.00 C ATOM 205 O GLY A 244 -5.087 -0.997 -11.427 1.00 15.00 O ATOM 0 H GLY A 244 -7.884 -3.423 -9.653 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -6.578 -3.365 -11.572 1.00 15.00 H new ATOM 0 HA3 GLY A 244 -7.405 -1.926 -12.133 1.00 15.00 H new ATOM 209 N GLU A 245 -5.807 -1.471 -9.351 1.00 15.00 N ATOM 210 CA GLU A 245 -4.862 -0.570 -8.694 1.00 15.00 C ATOM 211 C GLU A 245 -4.051 -1.313 -7.641 1.00 15.00 C ATOM 212 O GLU A 245 -4.526 -2.282 -7.043 1.00 15.00 O ATOM 213 CB GLU A 245 -5.604 0.600 -8.039 1.00 15.00 C ATOM 214 CG GLU A 245 -6.296 1.536 -9.016 1.00 15.00 C ATOM 215 CD GLU A 245 -5.324 2.280 -9.915 1.00 15.00 C ATOM 216 OE1 GLU A 245 -4.886 1.713 -10.936 1.00 15.00 O ATOM 217 OE2 GLU A 245 -5.007 3.446 -9.611 1.00 15.00 O1- ATOM 0 H GLU A 245 -6.384 -2.017 -8.712 1.00 15.00 H new ATOM 0 HA GLU A 245 -4.183 -0.183 -9.454 1.00 15.00 H new ATOM 0 HB2 GLU A 245 -6.348 0.201 -7.349 1.00 15.00 H new ATOM 0 HB3 GLU A 245 -4.895 1.176 -7.445 1.00 15.00 H new ATOM 0 HG2 GLU A 245 -6.987 0.962 -9.634 1.00 15.00 H new ATOM 0 HG3 GLU A 245 -6.892 2.258 -8.458 1.00 15.00 H new ATOM 224 N ILE A 246 -2.827 -0.862 -7.418 1.00 15.00 N ATOM 225 CA ILE A 246 -1.982 -1.435 -6.383 1.00 15.00 C ATOM 226 C ILE A 246 -1.820 -0.432 -5.245 1.00 15.00 C ATOM 227 O ILE A 246 -1.744 0.771 -5.486 1.00 15.00 O ATOM 228 CB ILE A 246 -0.594 -1.845 -6.935 1.00 15.00 C ATOM 229 CG1 ILE A 246 0.304 -0.623 -7.164 1.00 15.00 C ATOM 230 CG2 ILE A 246 -0.758 -2.626 -8.233 1.00 15.00 C ATOM 231 CD1 ILE A 246 1.656 -0.966 -7.751 1.00 15.00 C ATOM 0 H ILE A 246 -2.396 -0.100 -7.941 1.00 15.00 H new ATOM 0 HA ILE A 246 -2.466 -2.339 -6.013 1.00 15.00 H new ATOM 0 HB ILE A 246 -0.111 -2.479 -6.191 1.00 15.00 H new ATOM 0 HG12 ILE A 246 -0.206 0.073 -7.830 1.00 15.00 H new ATOM 0 HG13 ILE A 246 0.450 -0.107 -6.215 1.00 15.00 H new ATOM 0 HG21 ILE A 246 0.223 -2.910 -8.613 1.00 15.00 H new ATOM 0 HG22 ILE A 246 -1.348 -3.523 -8.046 1.00 15.00 H new ATOM 0 HG23 ILE A 246 -1.267 -2.004 -8.970 1.00 15.00 H new ATOM 0 HD11 ILE A 246 2.236 -0.053 -7.885 1.00 15.00 H new ATOM 0 HD12 ILE A 246 2.186 -1.637 -7.075 1.00 15.00 H new ATOM 0 HD13 ILE A 246 1.520 -1.455 -8.716 1.00 15.00 H new ATOM 243 N TYR A 247 -1.793 -0.914 -4.011 1.00 15.00 N ATOM 244 CA TYR A 247 -1.703 -0.023 -2.863 1.00 15.00 C ATOM 245 C TYR A 247 -0.782 -0.602 -1.780 1.00 15.00 C ATOM 246 O TYR A 247 -0.786 -1.812 -1.541 1.00 15.00 O ATOM 247 CB TYR A 247 -3.104 0.255 -2.284 1.00 15.00 C ATOM 248 CG TYR A 247 -3.878 -0.977 -1.846 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.368 -1.887 -2.776 1.00 15.00 C ATOM 250 CD2 TYR A 247 -4.131 -1.221 -0.500 1.00 15.00 C ATOM 251 CE1 TYR A 247 -5.077 -3.005 -2.379 1.00 15.00 C ATOM 252 CE2 TYR A 247 -4.839 -2.338 -0.097 1.00 15.00 C ATOM 253 CZ TYR A 247 -5.308 -3.224 -1.039 1.00 15.00 C ATOM 254 OH TYR A 247 -6.010 -4.333 -0.634 1.00 15.00 O ATOM 0 H TYR A 247 -1.832 -1.907 -3.780 1.00 15.00 H new ATOM 0 HA TYR A 247 -1.271 0.918 -3.204 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -3.000 0.923 -1.429 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -3.691 0.786 -3.034 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -4.191 -1.717 -3.828 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -3.768 -0.526 0.243 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -5.448 -3.703 -3.115 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -5.023 -2.514 0.953 1.00 15.00 H new ATOM 0 HH TYR A 247 -6.082 -4.336 0.343 1.00 15.00 H new ATOM 264 N TYR A 248 -0.003 0.262 -1.126 1.00 15.00 N ATOM 265 CA TYR A 248 0.874 -0.151 -0.043 1.00 15.00 C ATOM 266 C TYR A 248 0.186 -0.015 1.299 1.00 15.00 C ATOM 267 O TYR A 248 -0.132 1.092 1.740 1.00 15.00 O ATOM 268 CB TYR A 248 2.171 0.666 -0.044 1.00 15.00 C ATOM 269 CG TYR A 248 3.131 0.227 -1.117 1.00 15.00 C ATOM 270 CD1 TYR A 248 3.924 -0.893 -0.931 1.00 15.00 C ATOM 271 CD2 TYR A 248 3.224 0.907 -2.322 1.00 15.00 C ATOM 272 CE1 TYR A 248 4.777 -1.326 -1.921 1.00 15.00 C ATOM 273 CE2 TYR A 248 4.070 0.473 -3.318 1.00 15.00 C ATOM 274 CZ TYR A 248 4.842 -0.643 -3.115 1.00 15.00 C ATOM 275 OH TYR A 248 5.674 -1.086 -4.118 1.00 15.00 O ATOM 0 H TYR A 248 0.034 1.260 -1.335 1.00 15.00 H new ATOM 0 HA TYR A 248 1.119 -1.201 -0.206 1.00 15.00 H new ATOM 0 HB2 TYR A 248 1.932 1.720 -0.185 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.654 0.576 0.929 1.00 15.00 H new ATOM 0 HD1 TYR A 248 3.873 -1.434 0.003 1.00 15.00 H new ATOM 0 HD2 TYR A 248 2.624 1.790 -2.482 1.00 15.00 H new ATOM 0 HE1 TYR A 248 5.393 -2.199 -1.762 1.00 15.00 H new ATOM 0 HE2 TYR A 248 4.126 1.008 -4.254 1.00 15.00 H new ATOM 0 HH TYR A 248 5.598 -0.491 -4.893 1.00 15.00 H new ATOM 285 N ILE A 249 -0.066 -1.148 1.933 1.00 15.00 N ATOM 286 CA ILE A 249 -0.598 -1.159 3.276 1.00 15.00 C ATOM 287 C ILE A 249 0.546 -1.163 4.279 1.00 15.00 C ATOM 288 O ILE A 249 1.330 -2.116 4.346 1.00 15.00 O ATOM 289 CB ILE A 249 -1.528 -2.372 3.513 1.00 15.00 C ATOM 290 CG1 ILE A 249 -0.886 -3.666 2.996 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.875 -2.135 2.845 1.00 15.00 C ATOM 292 CD1 ILE A 249 -1.736 -4.900 3.211 1.00 15.00 C ATOM 0 H ILE A 249 0.092 -2.073 1.533 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.197 -0.259 3.411 1.00 15.00 H new ATOM 0 HB ILE A 249 -1.684 -2.483 4.586 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -0.682 -3.558 1.931 1.00 15.00 H new ATOM 0 HG13 ILE A 249 0.074 -3.807 3.492 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.523 -2.994 3.017 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.337 -1.242 3.265 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.731 -1.999 1.773 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -1.215 -5.774 2.819 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -1.919 -5.034 4.277 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -2.687 -4.782 2.692 1.00 15.00 H new ATOM 304 N ASN A 250 0.652 -0.097 5.051 1.00 15.00 N ATOM 305 CA ASN A 250 1.756 0.052 5.979 1.00 15.00 C ATOM 306 C ASN A 250 1.368 -0.575 7.323 1.00 15.00 C ATOM 307 O ASN A 250 0.521 -0.021 8.026 1.00 15.00 O ATOM 308 CB ASN A 250 2.100 1.535 6.171 1.00 15.00 C ATOM 309 CG ASN A 250 3.323 1.768 7.045 1.00 15.00 C ATOM 310 OD1 ASN A 250 3.624 0.990 7.949 1.00 15.00 O ATOM 311 ND2 ASN A 250 4.037 2.851 6.781 1.00 15.00 N ATOM 0 H ASN A 250 -0.012 0.677 5.053 1.00 15.00 H new ATOM 0 HA ASN A 250 2.634 -0.453 5.577 1.00 15.00 H new ATOM 0 HB2 ASN A 250 2.269 1.989 5.195 1.00 15.00 H new ATOM 0 HB3 ASN A 250 1.244 2.043 6.615 1.00 15.00 H new ATOM 0 HD21 ASN A 250 4.867 3.062 7.335 1.00 15.00 H new ATOM 0 HD22 ASN A 250 3.757 3.474 6.023 1.00 15.00 H new ATOM 318 N HIS A 251 1.967 -1.730 7.676 1.00 15.00 N ATOM 319 CA HIS A 251 1.586 -2.459 8.874 1.00 15.00 C ATOM 320 C HIS A 251 2.194 -1.822 10.122 1.00 15.00 C ATOM 321 O HIS A 251 1.761 -2.091 11.243 1.00 15.00 O ATOM 322 CB HIS A 251 2.033 -3.926 8.760 1.00 15.00 C ATOM 323 CG HIS A 251 1.155 -4.788 7.888 1.00 15.00 C ATOM 324 ND1 HIS A 251 0.082 -5.549 8.209 1.00 15.00 N flip ATOM 325 CD2 HIS A 251 1.353 -4.973 6.528 1.00 15.00 C flip ATOM 326 CE1 HIS A 251 -0.343 -6.175 7.063 1.00 15.00 C flip ATOM 327 NE2 HIS A 251 0.440 -5.806 6.066 1.00 15.00 N flip ATOM 0 H HIS A 251 2.716 -2.168 7.139 1.00 15.00 H new ATOM 0 HA HIS A 251 0.501 -2.419 8.967 1.00 15.00 H new ATOM 0 HB2 HIS A 251 3.049 -3.952 8.367 1.00 15.00 H new ATOM 0 HB3 HIS A 251 2.067 -4.360 9.759 1.00 15.00 H new ATOM 0 HD2 HIS A 251 2.131 -4.509 5.940 1.00 15.00 H new ATOM 0 HE1 HIS A 251 -1.178 -6.856 6.990 1.00 15.00 H new ATOM 0 HE2 HIS A 251 0.353 -6.114 5.098 1.00 15.00 H new ATOM 336 N LYS A 252 3.208 -0.988 9.922 1.00 15.00 N ATOM 337 CA LYS A 252 3.906 -0.350 11.037 1.00 15.00 C ATOM 338 C LYS A 252 3.257 0.980 11.435 1.00 15.00 C ATOM 339 O LYS A 252 3.334 1.390 12.594 1.00 15.00 O ATOM 340 CB LYS A 252 5.390 -0.124 10.705 1.00 15.00 C ATOM 341 CG LYS A 252 6.243 -1.391 10.687 1.00 15.00 C ATOM 342 CD LYS A 252 5.869 -2.320 9.539 1.00 15.00 C ATOM 343 CE LYS A 252 6.661 -3.617 9.574 1.00 15.00 C ATOM 344 NZ LYS A 252 8.110 -3.404 9.314 1.00 15.00 N1+ ATOM 0 H LYS A 252 3.566 -0.737 9.001 1.00 15.00 H new ATOM 0 HA LYS A 252 3.830 -1.032 11.884 1.00 15.00 H new ATOM 0 HB2 LYS A 252 5.460 0.358 9.730 1.00 15.00 H new ATOM 0 HB3 LYS A 252 5.809 0.569 11.434 1.00 15.00 H new ATOM 0 HG2 LYS A 252 7.295 -1.118 10.603 1.00 15.00 H new ATOM 0 HG3 LYS A 252 6.126 -1.920 11.633 1.00 15.00 H new ATOM 0 HD2 LYS A 252 4.803 -2.545 9.587 1.00 15.00 H new ATOM 0 HD3 LYS A 252 6.045 -1.813 8.590 1.00 15.00 H new ATOM 0 HE2 LYS A 252 6.535 -4.090 10.548 1.00 15.00 H new ATOM 0 HE3 LYS A 252 6.259 -4.305 8.831 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 8.596 -4.323 9.281 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 8.231 -2.916 8.404 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 8.518 -2.824 10.075 1.00 15.00 H new ATOM 358 N ASN A 253 2.645 1.671 10.478 1.00 15.00 N ATOM 359 CA ASN A 253 2.037 2.971 10.754 1.00 15.00 C ATOM 360 C ASN A 253 0.528 2.943 10.543 1.00 15.00 C ATOM 361 O ASN A 253 -0.156 3.927 10.822 1.00 15.00 O ATOM 362 CB ASN A 253 2.658 4.066 9.878 1.00 15.00 C ATOM 363 CG ASN A 253 4.125 4.306 10.189 1.00 15.00 C ATOM 364 OD1 ASN A 253 5.011 3.710 9.573 1.00 15.00 O ATOM 365 ND2 ASN A 253 4.391 5.192 11.137 1.00 15.00 N ATOM 0 H ASN A 253 2.556 1.357 9.512 1.00 15.00 H new ATOM 0 HA ASN A 253 2.234 3.197 11.802 1.00 15.00 H new ATOM 0 HB2 ASN A 253 2.554 3.788 8.829 1.00 15.00 H new ATOM 0 HB3 ASN A 253 2.105 4.995 10.018 1.00 15.00 H new ATOM 0 HD21 ASN A 253 5.359 5.403 11.381 1.00 15.00 H new ATOM 0 HD22 ASN A 253 3.628 5.663 11.623 1.00 15.00 H new ATOM 372 N LYS A 254 0.019 1.816 10.044 1.00 15.00 N ATOM 373 CA LYS A 254 -1.417 1.642 9.811 1.00 15.00 C ATOM 374 C LYS A 254 -1.929 2.696 8.819 1.00 15.00 C ATOM 375 O LYS A 254 -2.969 3.324 9.018 1.00 15.00 O ATOM 376 CB LYS A 254 -2.173 1.709 11.151 1.00 15.00 C ATOM 377 CG LYS A 254 -3.659 1.382 11.056 1.00 15.00 C ATOM 378 CD LYS A 254 -4.329 1.410 12.418 1.00 15.00 C ATOM 379 CE LYS A 254 -3.800 0.313 13.325 1.00 15.00 C ATOM 380 NZ LYS A 254 -4.461 0.326 14.655 1.00 15.00 N1+ ATOM 0 H LYS A 254 0.583 1.005 9.792 1.00 15.00 H new ATOM 0 HA LYS A 254 -1.597 0.662 9.369 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -1.706 1.017 11.852 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -2.060 2.710 11.568 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -4.148 2.098 10.395 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -3.787 0.397 10.608 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -4.163 2.381 12.886 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -5.406 1.294 12.297 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -3.956 -0.656 12.851 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -2.724 0.435 13.453 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -4.072 -0.438 15.244 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -4.291 1.241 15.118 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -5.484 0.184 14.536 1.00 15.00 H new ATOM 394 N THR A 255 -1.203 2.856 7.721 1.00 15.00 N ATOM 395 CA THR A 255 -1.537 3.877 6.730 1.00 15.00 C ATOM 396 C THR A 255 -1.414 3.310 5.313 1.00 15.00 C ATOM 397 O THR A 255 -0.631 2.390 5.078 1.00 15.00 O ATOM 398 CB THR A 255 -0.647 5.136 6.888 1.00 15.00 C ATOM 399 OG1 THR A 255 -1.055 6.164 5.973 1.00 15.00 O ATOM 400 CG2 THR A 255 0.820 4.811 6.654 1.00 15.00 C ATOM 0 H THR A 255 -0.382 2.296 7.492 1.00 15.00 H new ATOM 0 HA THR A 255 -2.571 4.177 6.900 1.00 15.00 H new ATOM 0 HB THR A 255 -0.769 5.491 7.911 1.00 15.00 H new ATOM 0 HG1 THR A 255 -0.483 6.951 6.089 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.416 5.716 6.772 1.00 15.00 H new ATOM 0 HG22 THR A 255 1.147 4.064 7.377 1.00 15.00 H new ATOM 0 HG23 THR A 255 0.950 4.420 5.645 1.00 15.00 H new ATOM 408 N THR A 256 -2.209 3.827 4.380 1.00 15.00 N ATOM 409 CA THR A 256 -2.187 3.335 3.012 1.00 15.00 C ATOM 410 C THR A 256 -1.628 4.397 2.062 1.00 15.00 C ATOM 411 O THR A 256 -1.946 5.579 2.178 1.00 15.00 O ATOM 412 CB THR A 256 -3.601 2.929 2.542 1.00 15.00 C ATOM 413 OG1 THR A 256 -4.301 2.254 3.595 1.00 15.00 O ATOM 414 CG2 THR A 256 -3.523 2.011 1.330 1.00 15.00 C ATOM 0 H THR A 256 -2.873 4.583 4.548 1.00 15.00 H new ATOM 0 HA THR A 256 -1.542 2.457 2.994 1.00 15.00 H new ATOM 0 HB THR A 256 -4.137 3.838 2.270 1.00 15.00 H new ATOM 0 HG1 THR A 256 -5.211 2.043 3.300 1.00 15.00 H new ATOM 0 HG21 THR A 256 -4.530 1.737 1.016 1.00 15.00 H new ATOM 0 HG22 THR A 256 -3.016 2.527 0.515 1.00 15.00 H new ATOM 0 HG23 THR A 256 -2.967 1.110 1.591 1.00 15.00 H new ATOM 422 N SER A 257 -0.777 3.975 1.141 1.00 15.00 N ATOM 423 CA SER A 257 -0.235 4.864 0.120 1.00 15.00 C ATOM 424 C SER A 257 -0.069 4.094 -1.185 1.00 15.00 C ATOM 425 O SER A 257 0.473 3.002 -1.180 1.00 15.00 O ATOM 426 CB SER A 257 1.106 5.438 0.583 1.00 15.00 C ATOM 427 OG SER A 257 0.952 6.183 1.780 1.00 15.00 O ATOM 0 H SER A 257 -0.443 3.013 1.078 1.00 15.00 H new ATOM 0 HA SER A 257 -0.923 5.693 -0.044 1.00 15.00 H new ATOM 0 HB2 SER A 257 1.817 4.628 0.743 1.00 15.00 H new ATOM 0 HB3 SER A 257 1.521 6.077 -0.197 1.00 15.00 H new ATOM 0 HG SER A 257 1.822 6.539 2.058 1.00 15.00 H new ATOM 433 N TRP A 258 -0.502 4.681 -2.299 1.00 15.00 N ATOM 434 CA TRP A 258 -0.597 3.953 -3.569 1.00 15.00 C ATOM 435 C TRP A 258 0.749 3.398 -4.048 1.00 15.00 C ATOM 436 O TRP A 258 0.960 2.185 -4.050 1.00 15.00 O ATOM 437 CB TRP A 258 -1.183 4.856 -4.659 1.00 15.00 C ATOM 438 CG TRP A 258 -2.643 5.153 -4.498 1.00 15.00 C ATOM 439 CD1 TRP A 258 -3.205 6.361 -4.201 1.00 15.00 C ATOM 440 CD2 TRP A 258 -3.728 4.228 -4.633 1.00 15.00 C ATOM 441 NE1 TRP A 258 -4.572 6.245 -4.152 1.00 15.00 N ATOM 442 CE2 TRP A 258 -4.919 4.945 -4.414 1.00 15.00 C ATOM 443 CE3 TRP A 258 -3.811 2.864 -4.922 1.00 15.00 C ATOM 444 CZ2 TRP A 258 -6.173 4.342 -4.477 1.00 15.00 C ATOM 445 CZ3 TRP A 258 -5.055 2.268 -4.981 1.00 15.00 C ATOM 446 CH2 TRP A 258 -6.221 3.006 -4.761 1.00 15.00 C ATOM 0 H TRP A 258 -0.793 5.657 -2.351 1.00 15.00 H new ATOM 0 HA TRP A 258 -1.255 3.104 -3.383 1.00 15.00 H new ATOM 0 HB2 TRP A 258 -0.632 5.797 -4.669 1.00 15.00 H new ATOM 0 HB3 TRP A 258 -1.025 4.384 -5.629 1.00 15.00 H new ATOM 0 HD1 TRP A 258 -2.655 7.274 -4.030 1.00 15.00 H new ATOM 0 HE1 TRP A 258 -5.224 7.004 -3.953 1.00 15.00 H new ATOM 0 HE3 TRP A 258 -2.916 2.285 -5.097 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -7.076 4.910 -4.307 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -5.128 1.213 -5.201 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -7.179 2.511 -4.816 1.00 15.00 H new ATOM 457 N LEU A 259 1.658 4.278 -4.443 1.00 15.00 N ATOM 458 CA LEU A 259 2.884 3.853 -5.112 1.00 15.00 C ATOM 459 C LEU A 259 4.136 4.105 -4.286 1.00 15.00 C ATOM 460 O LEU A 259 4.143 4.928 -3.368 1.00 15.00 O ATOM 461 CB LEU A 259 3.003 4.492 -6.493 1.00 15.00 C ATOM 462 CG LEU A 259 2.265 3.732 -7.595 1.00 15.00 C ATOM 463 CD1 LEU A 259 2.483 4.398 -8.944 1.00 15.00 C ATOM 464 CD2 LEU A 259 2.727 2.276 -7.627 1.00 15.00 C ATOM 0 H LEU A 259 1.573 5.286 -4.314 1.00 15.00 H new ATOM 0 HA LEU A 259 2.808 2.772 -5.231 1.00 15.00 H new ATOM 0 HB2 LEU A 259 2.616 5.510 -6.446 1.00 15.00 H new ATOM 0 HB3 LEU A 259 4.058 4.564 -6.759 1.00 15.00 H new ATOM 0 HG LEU A 259 1.197 3.752 -7.379 1.00 15.00 H new ATOM 0 HD11 LEU A 259 1.950 3.842 -9.715 1.00 15.00 H new ATOM 0 HD12 LEU A 259 2.108 5.421 -8.910 1.00 15.00 H new ATOM 0 HD13 LEU A 259 3.548 4.409 -9.176 1.00 15.00 H new ATOM 0 HD21 LEU A 259 2.196 1.743 -8.415 1.00 15.00 H new ATOM 0 HD22 LEU A 259 3.799 2.239 -7.822 1.00 15.00 H new ATOM 0 HD23 LEU A 259 2.517 1.806 -6.666 1.00 15.00 H new ATOM 476 N ASP A 260 5.195 3.385 -4.657 1.00 15.00 N ATOM 477 CA ASP A 260 6.442 3.326 -3.898 1.00 15.00 C ATOM 478 C ASP A 260 7.096 4.698 -3.735 1.00 15.00 C ATOM 479 O ASP A 260 7.514 5.340 -4.704 1.00 15.00 O ATOM 480 CB ASP A 260 7.412 2.359 -4.594 1.00 15.00 C ATOM 481 CG ASP A 260 8.821 2.417 -4.033 1.00 15.00 C ATOM 482 OD1 ASP A 260 8.977 2.679 -2.825 1.00 15.00 O ATOM 483 OD2 ASP A 260 9.775 2.185 -4.806 1.00 15.00 O1- ATOM 0 H ASP A 260 5.210 2.819 -5.505 1.00 15.00 H new ATOM 0 HA ASP A 260 6.204 2.969 -2.896 1.00 15.00 H new ATOM 0 HB2 ASP A 260 7.032 1.342 -4.498 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.442 2.589 -5.659 1.00 15.00 H new ATOM 488 N PRO A 261 7.177 5.156 -2.476 1.00 15.00 N ATOM 489 CA PRO A 261 7.793 6.426 -2.120 1.00 15.00 C ATOM 490 C PRO A 261 9.321 6.351 -2.044 1.00 15.00 C ATOM 491 O PRO A 261 9.988 7.374 -1.911 1.00 15.00 O ATOM 492 CB PRO A 261 7.193 6.738 -0.752 1.00 15.00 C ATOM 493 CG PRO A 261 6.846 5.418 -0.156 1.00 15.00 C ATOM 494 CD PRO A 261 6.643 4.454 -1.295 1.00 15.00 C ATOM 0 HA PRO A 261 7.599 7.193 -2.870 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.904 7.276 -0.126 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.310 7.370 -0.846 1.00 15.00 H new ATOM 0 HG2 PRO A 261 7.642 5.072 0.503 1.00 15.00 H new ATOM 0 HG3 PRO A 261 5.942 5.495 0.449 1.00 15.00 H new ATOM 0 HD2 PRO A 261 7.170 3.516 -1.119 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.589 4.208 -1.423 1.00 15.00 H new ATOM 502 N ARG A 262 9.880 5.143 -2.113 1.00 15.00 N ATOM 503 CA ARG A 262 11.330 4.982 -2.070 1.00 15.00 C ATOM 504 C ARG A 262 11.946 5.452 -3.390 1.00 15.00 C ATOM 505 O ARG A 262 13.163 5.588 -3.517 1.00 15.00 O ATOM 506 CB ARG A 262 11.718 3.523 -1.769 1.00 15.00 C ATOM 507 CG ARG A 262 13.222 3.277 -1.662 1.00 15.00 C ATOM 508 CD ARG A 262 13.809 3.803 -0.355 1.00 15.00 C ATOM 509 NE ARG A 262 13.586 5.239 -0.175 1.00 15.00 N ATOM 510 CZ ARG A 262 13.561 5.843 1.012 1.00 15.00 C ATOM 511 NH1 ARG A 262 13.897 5.177 2.111 1.00 15.00 N1+ ATOM 512 NH2 ARG A 262 13.237 7.128 1.095 1.00 15.00 N ATOM 0 H ARG A 262 9.356 4.272 -2.198 1.00 15.00 H new ATOM 0 HA ARG A 262 11.724 5.598 -1.261 1.00 15.00 H new ATOM 0 HB2 ARG A 262 11.246 3.220 -0.835 1.00 15.00 H new ATOM 0 HB3 ARG A 262 11.313 2.883 -2.553 1.00 15.00 H new ATOM 0 HG2 ARG A 262 13.418 2.208 -1.740 1.00 15.00 H new ATOM 0 HG3 ARG A 262 13.726 3.756 -2.502 1.00 15.00 H new ATOM 0 HD2 ARG A 262 13.366 3.263 0.481 1.00 15.00 H new ATOM 0 HD3 ARG A 262 14.880 3.600 -0.334 1.00 15.00 H new ATOM 0 HE ARG A 262 13.441 5.810 -1.007 1.00 15.00 H new ATOM 0 HH11 ARG A 262 14.176 4.198 2.049 1.00 15.00 H new ATOM 0 HH12 ARG A 262 13.876 5.645 3.017 1.00 15.00 H new ATOM 0 HH21 ARG A 262 13.008 7.652 0.250 1.00 15.00 H new ATOM 0 HH22 ARG A 262 13.218 7.591 2.003 1.00 15.00 H new ATOM 526 N LEU A 263 11.087 5.708 -4.368 1.00 15.00 N ATOM 527 CA LEU A 263 11.508 6.278 -5.641 1.00 15.00 C ATOM 528 C LEU A 263 11.696 7.788 -5.520 1.00 15.00 C ATOM 529 O LEU A 263 12.195 8.435 -6.440 1.00 15.00 O ATOM 530 CB LEU A 263 10.479 5.967 -6.730 1.00 15.00 C ATOM 531 CG LEU A 263 10.285 4.480 -7.032 1.00 15.00 C ATOM 532 CD1 LEU A 263 9.180 4.285 -8.058 1.00 15.00 C ATOM 533 CD2 LEU A 263 11.588 3.862 -7.521 1.00 15.00 C ATOM 0 H LEU A 263 10.085 5.528 -4.302 1.00 15.00 H new ATOM 0 HA LEU A 263 12.462 5.829 -5.916 1.00 15.00 H new ATOM 0 HB2 LEU A 263 9.519 6.390 -6.433 1.00 15.00 H new ATOM 0 HB3 LEU A 263 10.780 6.472 -7.648 1.00 15.00 H new ATOM 0 HG LEU A 263 9.990 3.975 -6.112 1.00 15.00 H new ATOM 0 HD11 LEU A 263 9.056 3.221 -8.261 1.00 15.00 H new ATOM 0 HD12 LEU A 263 8.247 4.692 -7.669 1.00 15.00 H new ATOM 0 HD13 LEU A 263 9.445 4.802 -8.980 1.00 15.00 H new ATOM 0 HD21 LEU A 263 11.432 2.804 -7.731 1.00 15.00 H new ATOM 0 HD22 LEU A 263 11.912 4.369 -8.430 1.00 15.00 H new ATOM 0 HD23 LEU A 263 12.353 3.970 -6.752 1.00 15.00 H new ATOM 545 N ASP A 264 11.264 8.350 -4.392 1.00 15.00 N ATOM 546 CA ASP A 264 11.375 9.791 -4.160 1.00 15.00 C ATOM 547 C ASP A 264 12.825 10.293 -4.222 1.00 15.00 C ATOM 548 O ASP A 264 13.100 11.273 -4.909 1.00 15.00 O ATOM 549 CB ASP A 264 10.731 10.179 -2.824 1.00 15.00 C ATOM 550 CG ASP A 264 10.943 11.636 -2.470 1.00 15.00 C ATOM 551 OD1 ASP A 264 10.288 12.504 -3.081 1.00 15.00 O1- ATOM 552 OD2 ASP A 264 11.751 11.919 -1.563 1.00 15.00 O ATOM 0 H ASP A 264 10.835 7.832 -3.626 1.00 15.00 H new ATOM 0 HA ASP A 264 10.834 10.279 -4.971 1.00 15.00 H new ATOM 0 HB2 ASP A 264 9.662 9.973 -2.868 1.00 15.00 H new ATOM 0 HB3 ASP A 264 11.144 9.554 -2.032 1.00 15.00 H new ATOM 557 N PRO A 265 13.771 9.653 -3.500 1.00 15.00 N ATOM 558 CA PRO A 265 15.198 9.976 -3.605 1.00 15.00 C ATOM 559 C PRO A 265 15.729 9.760 -5.020 1.00 15.00 C ATOM 560 O PRO A 265 15.722 8.602 -5.494 1.00 15.00 O ATOM 561 CB PRO A 265 15.877 9.008 -2.627 1.00 15.00 C ATOM 562 CG PRO A 265 14.868 7.945 -2.364 1.00 15.00 C ATOM 563 CD PRO A 265 13.528 8.605 -2.505 1.00 15.00 C ATOM 564 OXT PRO A 265 16.158 10.746 -5.650 1.00 15.00 O ATOM 0 HA PRO A 265 15.391 11.024 -3.375 1.00 15.00 H new ATOM 0 HB2 PRO A 265 16.787 8.589 -3.056 1.00 15.00 H new ATOM 0 HB3 PRO A 265 16.163 9.516 -1.706 1.00 15.00 H new ATOM 0 HG2 PRO A 265 14.974 7.122 -3.071 1.00 15.00 H new ATOM 0 HG3 PRO A 265 14.994 7.526 -1.366 1.00 15.00 H new ATOM 0 HD2 PRO A 265 12.766 7.901 -2.840 1.00 15.00 H new ATOM 0 HD3 PRO A 265 13.183 9.021 -1.558 1.00 15.00 H new TER 572 PRO A 265 ATOM 573 N SER B 206 -6.262 10.562 -4.967 1.00 15.00 N ATOM 574 CA SER B 206 -7.381 9.759 -4.440 1.00 15.00 C ATOM 575 C SER B 206 -6.978 9.073 -3.140 1.00 15.00 C ATOM 576 O SER B 206 -5.953 8.394 -3.085 1.00 15.00 O ATOM 577 CB SER B 206 -7.811 8.723 -5.484 1.00 15.00 C ATOM 578 OG SER B 206 -6.693 8.021 -6.005 1.00 15.00 O ATOM 0 HA SER B 206 -8.223 10.418 -4.229 1.00 15.00 H new ATOM 0 HB2 SER B 206 -8.508 8.017 -5.033 1.00 15.00 H new ATOM 0 HB3 SER B 206 -8.341 9.220 -6.296 1.00 15.00 H new ATOM 0 HG SER B 206 -5.881 8.554 -5.872 1.00 15.00 H new ATOM 586 N PRO B 207 -7.771 9.252 -2.070 1.00 15.00 N ATOM 587 CA PRO B 207 -7.520 8.595 -0.786 1.00 15.00 C ATOM 588 C PRO B 207 -7.571 7.077 -0.918 1.00 15.00 C ATOM 589 O PRO B 207 -8.585 6.520 -1.346 1.00 15.00 O ATOM 590 CB PRO B 207 -8.660 9.093 0.113 1.00 15.00 C ATOM 591 CG PRO B 207 -9.176 10.319 -0.558 1.00 15.00 C ATOM 592 CD PRO B 207 -8.972 10.097 -2.027 1.00 15.00 C ATOM 0 HA PRO B 207 -6.531 8.827 -0.392 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.441 8.340 0.213 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -8.301 9.315 1.118 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -10.230 10.476 -0.329 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -8.640 11.206 -0.218 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -9.830 9.603 -2.483 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -8.824 11.036 -2.560 1.00 15.00 H new ATOM 600 N PRO B 208 -6.475 6.388 -0.574 1.00 15.00 N ATOM 601 CA PRO B 208 -6.379 4.937 -0.710 1.00 15.00 C ATOM 602 C PRO B 208 -7.268 4.217 0.299 1.00 15.00 C ATOM 603 O PRO B 208 -7.442 4.689 1.427 1.00 15.00 O ATOM 604 CB PRO B 208 -4.896 4.638 -0.440 1.00 15.00 C ATOM 605 CG PRO B 208 -4.209 5.963 -0.422 1.00 15.00 C ATOM 606 CD PRO B 208 -5.249 6.961 -0.015 1.00 15.00 C ATOM 0 HA PRO B 208 -6.712 4.593 -1.689 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.769 4.119 0.510 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.480 3.993 -1.214 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.375 5.961 0.280 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.800 6.204 -1.403 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -5.308 7.067 1.068 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.042 7.951 -0.421 1.00 15.00 H new ATOM 614 N PRO B 209 -7.834 3.065 -0.102 1.00 15.00 N ATOM 615 CA PRO B 209 -8.719 2.250 0.740 1.00 15.00 C ATOM 616 C PRO B 209 -8.139 1.993 2.129 1.00 15.00 C ATOM 617 O PRO B 209 -6.925 1.825 2.284 1.00 15.00 O ATOM 618 CB PRO B 209 -8.840 0.926 -0.032 1.00 15.00 C ATOM 619 CG PRO B 209 -7.828 1.002 -1.128 1.00 15.00 C ATOM 620 CD PRO B 209 -7.656 2.459 -1.421 1.00 15.00 C ATOM 0 HA PRO B 209 -9.672 2.750 0.915 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -8.648 0.074 0.620 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -9.845 0.798 -0.435 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -6.884 0.550 -0.822 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -8.167 0.462 -2.012 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -6.673 2.676 -1.839 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -8.394 2.820 -2.137 1.00 15.00 H new ATOM 628 N PRO B 210 -9.014 1.947 3.149 1.00 15.00 N ATOM 629 CA PRO B 210 -8.616 1.730 4.542 1.00 15.00 C ATOM 630 C PRO B 210 -7.736 0.495 4.711 1.00 15.00 C ATOM 631 O PRO B 210 -8.097 -0.601 4.292 1.00 15.00 O ATOM 632 CB PRO B 210 -9.949 1.541 5.287 1.00 15.00 C ATOM 633 CG PRO B 210 -10.983 1.363 4.226 1.00 15.00 C ATOM 634 CD PRO B 210 -10.470 2.096 3.022 1.00 15.00 C ATOM 0 HA PRO B 210 -8.021 2.561 4.919 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -9.910 0.673 5.945 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -10.174 2.405 5.912 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.136 0.307 4.004 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -11.944 1.764 4.547 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.842 1.661 2.094 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.772 3.143 3.027 1.00 15.00 H new ATOM 642 N TYR B 211 -6.587 0.689 5.347 1.00 15.00 N ATOM 643 CA TYR B 211 -5.619 -0.382 5.580 1.00 15.00 C ATOM 644 C TYR B 211 -6.201 -1.504 6.453 1.00 15.00 C ATOM 645 O TYR B 211 -5.618 -2.582 6.573 1.00 15.00 O ATOM 646 CB TYR B 211 -4.352 0.232 6.207 1.00 15.00 C ATOM 647 CG TYR B 211 -3.535 -0.697 7.078 1.00 15.00 C ATOM 648 CD1 TYR B 211 -2.684 -1.647 6.530 1.00 15.00 C ATOM 649 CD2 TYR B 211 -3.615 -0.610 8.458 1.00 15.00 C ATOM 650 CE1 TYR B 211 -1.937 -2.483 7.338 1.00 15.00 C ATOM 651 CE2 TYR B 211 -2.875 -1.437 9.272 1.00 15.00 C ATOM 652 CZ TYR B 211 -2.037 -2.372 8.710 1.00 15.00 C ATOM 653 OH TYR B 211 -1.298 -3.201 9.520 1.00 15.00 O ATOM 0 H TYR B 211 -6.297 1.594 5.717 1.00 15.00 H new ATOM 0 HA TYR B 211 -5.364 -0.849 4.629 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -3.714 0.602 5.404 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -4.646 1.095 6.804 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -2.605 -1.734 5.456 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -4.272 0.122 8.905 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -1.279 -3.218 6.899 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -2.952 -1.352 10.346 1.00 15.00 H new ATOM 0 HH TYR B 211 -1.018 -3.991 9.012 1.00 15.00 H new ATOM 663 N SER B 212 -7.365 -1.256 7.040 1.00 15.00 N ATOM 664 CA SER B 212 -7.992 -2.220 7.931 1.00 15.00 C ATOM 665 C SER B 212 -8.383 -3.500 7.189 1.00 15.00 C ATOM 666 O SER B 212 -8.271 -4.600 7.733 1.00 15.00 O ATOM 667 CB SER B 212 -9.213 -1.591 8.599 1.00 15.00 C ATOM 668 OG SER B 212 -8.865 -0.355 9.201 1.00 15.00 O ATOM 0 H SER B 212 -7.894 -0.393 6.914 1.00 15.00 H new ATOM 0 HA SER B 212 -7.268 -2.496 8.697 1.00 15.00 H new ATOM 0 HB2 SER B 212 -9.999 -1.435 7.861 1.00 15.00 H new ATOM 0 HB3 SER B 212 -9.613 -2.270 9.352 1.00 15.00 H new ATOM 0 HG SER B 212 -9.657 0.038 9.624 1.00 15.00 H new ATOM 674 N ARG B 213 -8.881 -3.358 5.964 1.00 15.00 N ATOM 675 CA ARG B 213 -9.218 -4.522 5.159 1.00 15.00 C ATOM 676 C ARG B 213 -9.065 -4.231 3.670 1.00 15.00 C ATOM 677 O ARG B 213 -8.986 -3.080 3.255 1.00 15.00 O ATOM 678 CB ARG B 213 -10.622 -5.039 5.444 1.00 15.00 C ATOM 679 CG ARG B 213 -10.725 -6.525 5.157 1.00 15.00 C ATOM 680 CD ARG B 213 -10.294 -7.355 6.353 1.00 15.00 C ATOM 681 NE ARG B 213 -11.330 -7.428 7.378 1.00 15.00 N ATOM 682 CZ ARG B 213 -11.084 -7.459 8.686 1.00 15.00 C ATOM 683 NH1 ARG B 213 -9.841 -7.316 9.136 1.00 15.00 N1+ ATOM 684 NH2 ARG B 213 -12.085 -7.610 9.544 1.00 15.00 N ATOM 0 H ARG B 213 -9.057 -2.460 5.514 1.00 15.00 H new ATOM 0 HA ARG B 213 -8.511 -5.302 5.442 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.879 -4.848 6.486 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -11.344 -4.497 4.833 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -11.752 -6.775 4.891 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.103 -6.774 4.297 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -10.042 -8.362 6.022 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -9.389 -6.926 6.784 1.00 15.00 H new ATOM 0 HE ARG B 213 -12.303 -7.457 7.073 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -9.073 -7.182 8.478 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -9.656 -7.340 10.139 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -13.041 -7.702 9.201 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -11.898 -7.634 10.546 1.00 15.00 H new ATOM 698 N TYR B 214 -9.054 -5.290 2.871 1.00 15.00 N ATOM 699 CA TYR B 214 -8.802 -5.176 1.443 1.00 15.00 C ATOM 700 C TYR B 214 -10.121 -4.969 0.711 1.00 15.00 C ATOM 701 O TYR B 214 -11.125 -5.588 1.054 1.00 15.00 O ATOM 702 CB TYR B 214 -8.129 -6.456 0.909 1.00 15.00 C ATOM 703 CG TYR B 214 -6.951 -6.959 1.727 1.00 15.00 C ATOM 704 CD1 TYR B 214 -6.473 -6.245 2.816 1.00 15.00 C ATOM 705 CD2 TYR B 214 -6.332 -8.163 1.416 1.00 15.00 C ATOM 706 CE1 TYR B 214 -5.424 -6.705 3.571 1.00 15.00 C ATOM 707 CE2 TYR B 214 -5.270 -8.633 2.168 1.00 15.00 C ATOM 708 CZ TYR B 214 -4.822 -7.899 3.247 1.00 15.00 C ATOM 709 OH TYR B 214 -3.771 -8.364 4.004 1.00 15.00 O ATOM 0 H TYR B 214 -9.218 -6.244 3.192 1.00 15.00 H new ATOM 0 HA TYR B 214 -8.140 -4.327 1.273 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.878 -7.246 0.857 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.790 -6.271 -0.110 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.937 -5.305 3.076 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.685 -8.741 0.575 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -5.072 -6.132 4.416 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.795 -9.568 1.912 1.00 15.00 H new ATOM 0 HH TYR B 214 -3.461 -9.220 3.642 1.00 15.00 H new ATOM 719 N PRO B 215 -10.126 -4.135 -0.339 1.00 15.00 N ATOM 720 CA PRO B 215 -11.335 -3.826 -1.107 1.00 15.00 C ATOM 721 C PRO B 215 -11.743 -4.992 -2.005 1.00 15.00 C ATOM 722 O PRO B 215 -12.722 -4.916 -2.749 1.00 15.00 O ATOM 723 CB PRO B 215 -10.936 -2.605 -1.953 1.00 15.00 C ATOM 724 CG PRO B 215 -9.550 -2.230 -1.524 1.00 15.00 C ATOM 725 CD PRO B 215 -8.956 -3.442 -0.880 1.00 15.00 C ATOM 0 HA PRO B 215 -12.193 -3.636 -0.462 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -10.963 -2.843 -3.016 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -11.629 -1.779 -1.794 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -8.952 -1.914 -2.379 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -9.574 -1.393 -0.826 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -8.419 -4.059 -1.600 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -8.247 -3.176 -0.096 1.00 15.00 H new ATOM 733 N MET B 216 -10.969 -6.066 -1.930 1.00 15.00 N ATOM 734 CA MET B 216 -11.209 -7.259 -2.725 1.00 15.00 C ATOM 735 C MET B 216 -11.643 -8.411 -1.814 1.00 15.00 C ATOM 736 O MET B 216 -11.831 -9.544 -2.261 1.00 15.00 O ATOM 737 CB MET B 216 -9.931 -7.616 -3.494 1.00 15.00 C ATOM 738 CG MET B 216 -10.119 -8.665 -4.577 1.00 15.00 C ATOM 739 SD MET B 216 -8.605 -8.944 -5.517 1.00 15.00 S ATOM 740 CE MET B 216 -9.150 -10.185 -6.684 1.00 15.00 C ATOM 0 H MET B 216 -10.157 -6.133 -1.316 1.00 15.00 H new ATOM 0 HA MET B 216 -12.009 -7.075 -3.442 1.00 15.00 H new ATOM 0 HB2 MET B 216 -9.531 -6.710 -3.949 1.00 15.00 H new ATOM 0 HB3 MET B 216 -9.184 -7.973 -2.786 1.00 15.00 H new ATOM 0 HG2 MET B 216 -10.441 -9.602 -4.122 1.00 15.00 H new ATOM 0 HG3 MET B 216 -10.913 -8.349 -5.254 1.00 15.00 H new ATOM 0 HE1 MET B 216 -8.481 -10.194 -7.545 1.00 15.00 H new ATOM 0 HE2 MET B 216 -9.138 -11.164 -6.206 1.00 15.00 H new ATOM 0 HE3 MET B 216 -10.163 -9.954 -7.014 1.00 15.00 H new ATOM 750 N ASP B 217 -11.815 -8.097 -0.536 1.00 15.00 N ATOM 751 CA ASP B 217 -12.223 -9.088 0.456 1.00 15.00 C ATOM 752 C ASP B 217 -13.740 -9.121 0.554 1.00 15.00 C ATOM 753 O ASP B 217 -14.351 -10.104 0.090 1.00 15.00 O ATOM 754 CB ASP B 217 -11.615 -8.762 1.827 1.00 15.00 C ATOM 755 CG ASP B 217 -11.821 -9.869 2.846 1.00 15.00 C ATOM 756 OD1 ASP B 217 -10.981 -10.790 2.897 1.00 15.00 O1- ATOM 757 OD2 ASP B 217 -12.799 -9.816 3.626 1.00 15.00 O ATOM 758 OXT ASP B 217 -14.321 -8.137 1.053 1.00 15.00 O ATOM 0 H ASP B 217 -11.678 -7.159 -0.159 1.00 15.00 H new ATOM 0 HA ASP B 217 -11.860 -10.067 0.142 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -10.547 -8.577 1.710 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -12.058 -7.841 2.205 1.00 15.00 H new TER 763 ASP B 217