USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 764 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 64 HIS :FLIP no HE2:sc= -6.21! C(o=-7!,f=-6.2!) USER MOD Set 1.2: A 70 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 53 TYR OH : rot 6:sc= -5.03! USER MOD Set 2.2: A 81 HIS : no HE2:sc= -6.34! C(o=-24!,f=-28!) USER MOD Set 2.3: A 88 HIS : no HE2:sc= -12.9! C(o=-24!,f=-29!) USER MOD Set 3.1: A 23 ASN : amide:sc= -12.3! C(o=-14!,f=-23!) USER MOD Set 3.2: A 96 CYS SG : rot 180:sc= -1.57 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 85:sc= 0.0977 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.904 X(o=-0.9,f=-0.99) USER MOD Single : A 25 THR OG1 : rot 21:sc= 0.225 USER MOD Single : A 33 SER OG : rot 110:sc= -0.387 USER MOD Single : A 35 LYS NZ :NH3+ 152:sc= 0 (180deg=-1.01) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 170:sc= -5! USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 52 HIS : no HD1:sc= -6.29! C(o=-6.3!,f=-8.3!) USER MOD Single : A 54 LYS NZ :NH3+ -109:sc= 0 (180deg=-0.318) USER MOD Single : A 66 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.24) USER MOD Single : A 73 SER OG : rot 180:sc= -0.265 USER MOD Single : A 79 ASN : amide:sc= -0.244 X(o=-0.24,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.197 K(o=-0.2,f=-2.1!) USER MOD Single : A 85 SER OG : rot 61:sc= 0.0259 USER MOD Single : A 87 SER OG : rot -24:sc= -0.383 USER MOD ----------------------------------------------------------------- ATOM 29 N PRO A 3 6.116 1.413 4.731 1.00 0.00 N ATOM 30 CA PRO A 3 4.676 1.423 4.457 1.00 0.00 C ATOM 31 C PRO A 3 3.826 1.416 5.724 1.00 0.00 C ATOM 32 O PRO A 3 2.769 2.042 5.778 1.00 0.00 O ATOM 33 CB PRO A 3 4.495 0.088 3.735 1.00 0.00 C ATOM 34 CG PRO A 3 5.462 -0.825 4.412 1.00 0.00 C ATOM 35 CD PRO A 3 6.632 0.032 4.838 1.00 0.00 C ATOM 0 HA PRO A 3 4.367 2.313 3.909 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.472 -0.278 3.824 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.710 0.178 2.670 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.001 -1.309 5.273 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.786 -1.617 3.737 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.948 -0.199 5.855 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.497 -0.123 4.193 1.00 0.00 H new ATOM 43 N TRP A 4 4.271 0.665 6.728 1.00 0.00 N ATOM 44 CA TRP A 4 3.532 0.528 7.976 1.00 0.00 C ATOM 45 C TRP A 4 2.348 -0.407 7.750 1.00 0.00 C ATOM 46 O TRP A 4 1.266 0.023 7.345 1.00 0.00 O ATOM 47 CB TRP A 4 3.057 1.889 8.501 1.00 0.00 C ATOM 48 CG TRP A 4 3.732 2.299 9.774 1.00 0.00 C ATOM 49 CD1 TRP A 4 4.167 3.551 10.103 1.00 0.00 C ATOM 50 CD2 TRP A 4 4.055 1.456 10.886 1.00 0.00 C ATOM 51 NE1 TRP A 4 4.738 3.538 11.352 1.00 0.00 N ATOM 52 CE2 TRP A 4 4.682 2.264 11.853 1.00 0.00 C ATOM 53 CE3 TRP A 4 3.873 0.097 11.159 1.00 0.00 C ATOM 54 CZ2 TRP A 4 5.128 1.758 13.071 1.00 0.00 C ATOM 55 CZ3 TRP A 4 4.316 -0.404 12.369 1.00 0.00 C ATOM 56 CH2 TRP A 4 4.937 0.424 13.312 1.00 0.00 C ATOM 0 H TRP A 4 5.145 0.140 6.699 1.00 0.00 H new ATOM 0 HA TRP A 4 4.193 0.107 8.733 1.00 0.00 H new ATOM 0 HB2 TRP A 4 3.239 2.648 7.740 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.980 1.852 8.664 1.00 0.00 H new ATOM 0 HD1 TRP A 4 4.075 4.424 9.473 1.00 0.00 H new ATOM 0 HE1 TRP A 4 5.139 4.346 11.829 1.00 0.00 H new ATOM 0 HE3 TRP A 4 3.395 -0.550 10.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 5.607 2.395 13.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 4.181 -1.452 12.591 1.00 0.00 H new ATOM 0 HH2 TRP A 4 5.272 0.002 14.248 1.00 0.00 H new ATOM 67 N PHE A 5 2.574 -1.695 7.983 1.00 0.00 N ATOM 68 CA PHE A 5 1.544 -2.706 7.782 1.00 0.00 C ATOM 69 C PHE A 5 0.483 -2.648 8.872 1.00 0.00 C ATOM 70 O PHE A 5 0.790 -2.717 10.061 1.00 0.00 O ATOM 71 CB PHE A 5 2.173 -4.100 7.746 1.00 0.00 C ATOM 72 CG PHE A 5 2.843 -4.489 9.033 1.00 0.00 C ATOM 73 CD1 PHE A 5 4.168 -4.161 9.267 1.00 0.00 C ATOM 74 CD2 PHE A 5 2.144 -5.182 10.010 1.00 0.00 C ATOM 75 CE1 PHE A 5 4.786 -4.516 10.451 1.00 0.00 C ATOM 76 CE2 PHE A 5 2.757 -5.540 11.196 1.00 0.00 C ATOM 77 CZ PHE A 5 4.080 -5.207 11.417 1.00 0.00 C ATOM 0 H PHE A 5 3.466 -2.064 8.313 1.00 0.00 H new ATOM 0 HA PHE A 5 1.060 -2.500 6.827 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.400 -4.832 7.512 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.904 -4.139 6.939 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.725 -3.621 8.515 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.110 -5.445 9.842 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.820 -4.254 10.621 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.202 -6.080 11.949 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.561 -5.486 12.343 1.00 0.00 H new ATOM 87 N PHE A 6 -0.772 -2.536 8.452 1.00 0.00 N ATOM 88 CA PHE A 6 -1.891 -2.485 9.381 1.00 0.00 C ATOM 89 C PHE A 6 -3.008 -3.403 8.901 1.00 0.00 C ATOM 90 O PHE A 6 -3.805 -3.028 8.044 1.00 0.00 O ATOM 91 CB PHE A 6 -2.410 -1.052 9.516 1.00 0.00 C ATOM 92 CG PHE A 6 -2.475 -0.570 10.937 1.00 0.00 C ATOM 93 CD1 PHE A 6 -3.069 -1.345 11.920 1.00 0.00 C ATOM 94 CD2 PHE A 6 -1.943 0.661 11.289 1.00 0.00 C ATOM 95 CE1 PHE A 6 -3.130 -0.904 13.228 1.00 0.00 C ATOM 96 CE2 PHE A 6 -2.002 1.108 12.596 1.00 0.00 C ATOM 97 CZ PHE A 6 -2.595 0.325 13.566 1.00 0.00 C ATOM 0 H PHE A 6 -1.039 -2.479 7.469 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.548 -2.823 10.359 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -1.765 -0.385 8.944 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.405 -0.991 9.074 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.489 -2.305 11.661 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.478 1.277 10.534 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -3.595 -1.518 13.985 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.584 2.069 12.858 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.641 0.672 14.588 1.00 0.00 H new ATOM 107 N GLY A 7 -3.063 -4.608 9.456 1.00 0.00 N ATOM 108 CA GLY A 7 -4.082 -5.555 9.063 1.00 0.00 C ATOM 109 C GLY A 7 -5.399 -5.321 9.765 1.00 0.00 C ATOM 110 O GLY A 7 -6.271 -6.190 9.762 1.00 0.00 O ATOM 0 H GLY A 7 -2.418 -4.944 10.172 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.234 -5.493 7.985 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.735 -6.566 9.278 1.00 0.00 H new ATOM 114 N CYS A 8 -5.553 -4.149 10.376 1.00 0.00 N ATOM 115 CA CYS A 8 -6.781 -3.835 11.082 1.00 0.00 C ATOM 116 C CYS A 8 -7.469 -2.596 10.509 1.00 0.00 C ATOM 117 O CYS A 8 -8.602 -2.286 10.879 1.00 0.00 O ATOM 118 CB CYS A 8 -6.504 -3.640 12.573 1.00 0.00 C ATOM 119 SG CYS A 8 -6.056 -5.159 13.445 1.00 0.00 S ATOM 0 H CYS A 8 -4.848 -3.412 10.394 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.457 -4.680 10.949 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -5.698 -2.915 12.690 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.389 -3.211 13.043 1.00 0.00 H new ATOM 0 HG CYS A 8 -5.839 -4.892 14.699 1.00 0.00 H new ATOM 125 N ILE A 9 -6.792 -1.892 9.607 1.00 0.00 N ATOM 126 CA ILE A 9 -7.367 -0.696 8.998 1.00 0.00 C ATOM 127 C ILE A 9 -8.210 -1.054 7.782 1.00 0.00 C ATOM 128 O ILE A 9 -7.783 -1.824 6.922 1.00 0.00 O ATOM 129 CB ILE A 9 -6.291 0.322 8.565 1.00 0.00 C ATOM 130 CG1 ILE A 9 -5.331 -0.302 7.550 1.00 0.00 C ATOM 131 CG2 ILE A 9 -5.528 0.853 9.769 1.00 0.00 C ATOM 132 CD1 ILE A 9 -4.121 0.554 7.272 1.00 0.00 C ATOM 0 H ILE A 9 -5.853 -2.125 9.283 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.990 -0.238 9.766 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.796 1.162 8.087 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.003 -1.274 7.919 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.865 -0.479 6.616 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.776 1.568 9.436 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.221 1.346 10.451 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.039 0.026 10.284 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.481 0.054 6.545 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.440 1.517 6.874 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.566 0.710 8.197 1.00 0.00 H new ATOM 144 N SER A 10 -9.403 -0.479 7.712 1.00 0.00 N ATOM 145 CA SER A 10 -10.303 -0.727 6.594 1.00 0.00 C ATOM 146 C SER A 10 -10.190 0.391 5.565 1.00 0.00 C ATOM 147 O SER A 10 -9.474 1.370 5.778 1.00 0.00 O ATOM 148 CB SER A 10 -11.747 -0.843 7.087 1.00 0.00 C ATOM 149 OG SER A 10 -12.578 -1.429 6.099 1.00 0.00 O ATOM 0 H SER A 10 -9.770 0.162 8.416 1.00 0.00 H new ATOM 0 HA SER A 10 -10.017 -1.668 6.123 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.777 -1.445 7.995 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.127 0.145 7.346 1.00 0.00 H new ATOM 0 HG SER A 10 -12.523 -2.405 6.163 1.00 0.00 H new ATOM 155 N ARG A 11 -10.897 0.244 4.453 1.00 0.00 N ATOM 156 CA ARG A 11 -10.868 1.252 3.399 1.00 0.00 C ATOM 157 C ARG A 11 -11.336 2.604 3.918 1.00 0.00 C ATOM 158 O ARG A 11 -11.046 3.639 3.324 1.00 0.00 O ATOM 159 CB ARG A 11 -11.735 0.813 2.217 1.00 0.00 C ATOM 160 CG ARG A 11 -11.346 1.471 0.902 1.00 0.00 C ATOM 161 CD ARG A 11 -10.951 0.443 -0.146 1.00 0.00 C ATOM 162 NE ARG A 11 -11.285 0.884 -1.497 1.00 0.00 N ATOM 163 CZ ARG A 11 -12.530 1.022 -1.945 1.00 0.00 C ATOM 164 NH1 ARG A 11 -13.561 0.758 -1.152 1.00 0.00 N ATOM 165 NH2 ARG A 11 -12.747 1.427 -3.189 1.00 0.00 N ATOM 0 H ARG A 11 -11.495 -0.559 4.257 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.836 1.355 3.063 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.665 -0.269 2.107 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.777 1.044 2.436 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.181 2.066 0.532 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.516 2.157 1.070 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.880 0.252 -0.081 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.456 -0.500 0.063 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.519 1.099 -2.135 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.401 0.448 -0.194 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.513 0.866 -1.501 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.959 1.633 -3.803 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.702 1.533 -3.532 1.00 0.00 H new ATOM 179 N SER A 12 -12.057 2.586 5.027 1.00 0.00 N ATOM 180 CA SER A 12 -12.571 3.810 5.631 1.00 0.00 C ATOM 181 C SER A 12 -11.441 4.682 6.174 1.00 0.00 C ATOM 182 O SER A 12 -11.354 5.869 5.857 1.00 0.00 O ATOM 183 CB SER A 12 -13.552 3.472 6.756 1.00 0.00 C ATOM 184 OG SER A 12 -13.803 4.605 7.570 1.00 0.00 O ATOM 0 H SER A 12 -12.302 1.734 5.531 1.00 0.00 H new ATOM 0 HA SER A 12 -13.089 4.372 4.854 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.488 3.111 6.330 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.147 2.664 7.366 1.00 0.00 H new ATOM 0 HG SER A 12 -14.434 4.364 8.280 1.00 0.00 H new ATOM 190 N GLU A 13 -10.583 4.093 7.001 1.00 0.00 N ATOM 191 CA GLU A 13 -9.471 4.831 7.592 1.00 0.00 C ATOM 192 C GLU A 13 -8.396 5.138 6.562 1.00 0.00 C ATOM 193 O GLU A 13 -8.018 6.288 6.381 1.00 0.00 O ATOM 194 CB GLU A 13 -8.846 4.049 8.748 1.00 0.00 C ATOM 195 CG GLU A 13 -9.856 3.291 9.595 1.00 0.00 C ATOM 196 CD GLU A 13 -9.678 3.539 11.081 1.00 0.00 C ATOM 197 OE1 GLU A 13 -8.528 3.767 11.511 1.00 0.00 O ATOM 198 OE2 GLU A 13 -10.690 3.508 11.813 1.00 0.00 O ATOM 0 H GLU A 13 -10.635 3.112 7.276 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.879 5.769 7.968 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.120 3.342 8.345 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.297 4.741 9.387 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.864 3.584 9.300 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.763 2.223 9.395 1.00 0.00 H new ATOM 205 N ALA A 14 -7.901 4.102 5.895 1.00 0.00 N ATOM 206 CA ALA A 14 -6.856 4.269 4.894 1.00 0.00 C ATOM 207 C ALA A 14 -7.214 5.365 3.899 1.00 0.00 C ATOM 208 O ALA A 14 -6.335 5.993 3.312 1.00 0.00 O ATOM 209 CB ALA A 14 -6.598 2.954 4.178 1.00 0.00 C ATOM 0 H ALA A 14 -8.207 3.138 6.030 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.942 4.573 5.405 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.815 3.093 3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.282 2.202 4.901 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.512 2.622 3.686 1.00 0.00 H new ATOM 215 N VAL A 15 -8.506 5.602 3.720 1.00 0.00 N ATOM 216 CA VAL A 15 -8.957 6.638 2.800 1.00 0.00 C ATOM 217 C VAL A 15 -8.720 8.027 3.398 1.00 0.00 C ATOM 218 O VAL A 15 -8.180 8.915 2.736 1.00 0.00 O ATOM 219 CB VAL A 15 -10.449 6.457 2.418 1.00 0.00 C ATOM 220 CG1 VAL A 15 -11.345 7.503 3.071 1.00 0.00 C ATOM 221 CG2 VAL A 15 -10.615 6.476 0.906 1.00 0.00 C ATOM 0 H VAL A 15 -9.254 5.097 4.194 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.371 6.544 1.886 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.765 5.486 2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -12.380 7.333 2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -11.263 7.427 4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.034 8.498 2.753 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.668 6.348 0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.261 7.429 0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.035 5.665 0.466 1.00 0.00 H new ATOM 231 N ARG A 16 -9.120 8.202 4.655 1.00 0.00 N ATOM 232 CA ARG A 16 -8.945 9.479 5.343 1.00 0.00 C ATOM 233 C ARG A 16 -7.565 9.574 5.988 1.00 0.00 C ATOM 234 O ARG A 16 -7.134 10.649 6.406 1.00 0.00 O ATOM 235 CB ARG A 16 -10.031 9.665 6.404 1.00 0.00 C ATOM 236 CG ARG A 16 -11.434 9.753 5.827 1.00 0.00 C ATOM 237 CD ARG A 16 -11.939 11.187 5.804 1.00 0.00 C ATOM 238 NE ARG A 16 -12.911 11.409 4.735 1.00 0.00 N ATOM 239 CZ ARG A 16 -14.139 10.895 4.732 1.00 0.00 C ATOM 240 NH1 ARG A 16 -14.549 10.131 5.737 1.00 0.00 N ATOM 241 NH2 ARG A 16 -14.960 11.147 3.721 1.00 0.00 N ATOM 0 H ARG A 16 -9.567 7.478 5.217 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.031 10.273 4.601 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.987 8.833 7.107 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.822 10.572 6.971 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.438 9.349 4.815 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -12.111 9.137 6.419 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.396 11.426 6.764 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.096 11.866 5.674 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.632 11.992 3.946 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.922 9.935 6.517 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.491 9.740 5.729 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -14.650 11.734 2.947 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.901 10.754 3.718 1.00 0.00 H new ATOM 255 N ARG A 17 -6.876 8.443 6.062 1.00 0.00 N ATOM 256 CA ARG A 17 -5.546 8.385 6.650 1.00 0.00 C ATOM 257 C ARG A 17 -4.497 8.764 5.609 1.00 0.00 C ATOM 258 O ARG A 17 -3.604 9.568 5.875 1.00 0.00 O ATOM 259 CB ARG A 17 -5.273 6.985 7.214 1.00 0.00 C ATOM 260 CG ARG A 17 -4.311 6.981 8.389 1.00 0.00 C ATOM 261 CD ARG A 17 -4.270 5.624 9.074 1.00 0.00 C ATOM 262 NE ARG A 17 -4.632 5.714 10.486 1.00 0.00 N ATOM 263 CZ ARG A 17 -4.590 4.686 11.330 1.00 0.00 C ATOM 264 NH1 ARG A 17 -4.195 3.489 10.912 1.00 0.00 N ATOM 265 NH2 ARG A 17 -4.943 4.854 12.598 1.00 0.00 N ATOM 0 H ARG A 17 -7.221 7.547 5.719 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.491 9.099 7.472 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.217 6.538 7.526 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.868 6.355 6.421 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.312 7.245 8.043 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.611 7.743 9.108 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.952 4.941 8.567 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.269 5.201 8.982 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.935 6.619 10.847 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.921 3.353 9.939 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.165 2.705 11.564 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.247 5.771 12.926 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.911 4.066 13.245 1.00 0.00 H new ATOM 279 N LEU A 18 -4.632 8.200 4.412 1.00 0.00 N ATOM 280 CA LEU A 18 -3.718 8.500 3.316 1.00 0.00 C ATOM 281 C LEU A 18 -3.885 9.948 2.891 1.00 0.00 C ATOM 282 O LEU A 18 -2.918 10.650 2.596 1.00 0.00 O ATOM 283 CB LEU A 18 -3.987 7.577 2.137 1.00 0.00 C ATOM 284 CG LEU A 18 -3.196 6.277 2.159 1.00 0.00 C ATOM 285 CD1 LEU A 18 -1.708 6.566 2.096 1.00 0.00 C ATOM 286 CD2 LEU A 18 -3.524 5.467 3.403 1.00 0.00 C ATOM 0 H LEU A 18 -5.366 7.532 4.177 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.694 8.342 3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.051 7.340 2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.759 8.111 1.215 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.477 5.690 1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.154 5.627 2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.481 7.105 1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.419 7.173 2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.947 4.542 3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.272 6.046 4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.588 5.231 3.413 1.00 0.00 H new ATOM 298 N GLN A 19 -5.134 10.372 2.872 1.00 0.00 N ATOM 299 CA GLN A 19 -5.495 11.734 2.489 1.00 0.00 C ATOM 300 C GLN A 19 -5.157 12.741 3.591 1.00 0.00 C ATOM 301 O GLN A 19 -5.007 13.932 3.322 1.00 0.00 O ATOM 302 CB GLN A 19 -6.988 11.811 2.162 1.00 0.00 C ATOM 303 CG GLN A 19 -7.320 11.427 0.730 1.00 0.00 C ATOM 304 CD GLN A 19 -7.796 12.605 -0.097 1.00 0.00 C ATOM 305 OE1 GLN A 19 -7.097 13.611 -0.224 1.00 0.00 O ATOM 306 NE2 GLN A 19 -8.991 12.488 -0.663 1.00 0.00 N ATOM 0 H GLN A 19 -5.931 9.786 3.121 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.911 11.992 1.605 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.534 11.155 2.841 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.340 12.826 2.348 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.437 10.992 0.261 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.091 10.656 0.734 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.536 11.636 -0.531 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.364 13.250 -1.230 1.00 0.00 H new ATOM 315 N ALA A 20 -5.044 12.261 4.829 1.00 0.00 N ATOM 316 CA ALA A 20 -4.727 13.131 5.962 1.00 0.00 C ATOM 317 C ALA A 20 -3.540 14.039 5.647 1.00 0.00 C ATOM 318 O ALA A 20 -2.909 13.902 4.599 1.00 0.00 O ATOM 319 CB ALA A 20 -4.437 12.296 7.200 1.00 0.00 C ATOM 0 H ALA A 20 -5.167 11.278 5.073 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.593 13.764 6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.202 12.955 8.036 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.312 11.694 7.446 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.588 11.640 7.006 1.00 0.00 H new ATOM 325 N GLU A 21 -3.234 14.966 6.554 1.00 0.00 N ATOM 326 CA GLU A 21 -2.114 15.879 6.339 1.00 0.00 C ATOM 327 C GLU A 21 -0.824 15.332 6.924 1.00 0.00 C ATOM 328 O GLU A 21 0.174 16.040 7.056 1.00 0.00 O ATOM 329 CB GLU A 21 -2.418 17.265 6.908 1.00 0.00 C ATOM 330 CG GLU A 21 -3.829 17.746 6.620 1.00 0.00 C ATOM 331 CD GLU A 21 -3.876 19.207 6.215 1.00 0.00 C ATOM 332 OE1 GLU A 21 -2.981 19.968 6.638 1.00 0.00 O ATOM 333 OE2 GLU A 21 -4.807 19.589 5.476 1.00 0.00 O ATOM 0 H GLU A 21 -3.737 15.103 7.431 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.976 15.973 5.262 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.263 17.247 7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.708 17.981 6.495 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.261 17.138 5.825 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.447 17.598 7.506 1.00 0.00 H new ATOM 340 N GLY A 22 -0.855 14.056 7.226 1.00 0.00 N ATOM 341 CA GLY A 22 0.309 13.371 7.749 1.00 0.00 C ATOM 342 C GLY A 22 1.065 12.649 6.651 1.00 0.00 C ATOM 343 O GLY A 22 2.163 12.136 6.868 1.00 0.00 O ATOM 0 H GLY A 22 -1.679 13.465 7.118 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.969 14.090 8.235 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.000 12.656 8.511 1.00 0.00 H new ATOM 347 N ASN A 23 0.452 12.596 5.469 1.00 0.00 N ATOM 348 CA ASN A 23 1.031 11.919 4.319 1.00 0.00 C ATOM 349 C ASN A 23 1.391 12.907 3.219 1.00 0.00 C ATOM 350 O ASN A 23 0.518 13.557 2.643 1.00 0.00 O ATOM 351 CB ASN A 23 0.039 10.885 3.795 1.00 0.00 C ATOM 352 CG ASN A 23 -0.115 9.715 4.749 1.00 0.00 C ATOM 353 OD1 ASN A 23 0.227 9.813 5.928 1.00 0.00 O ATOM 354 ND2 ASN A 23 -0.631 8.602 4.247 1.00 0.00 N ATOM 0 H ASN A 23 -0.457 13.021 5.286 1.00 0.00 H new ATOM 0 HA ASN A 23 1.951 11.424 4.631 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.931 11.358 3.641 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.374 10.520 2.824 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.758 7.784 4.843 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.901 8.563 3.264 1.00 0.00 H new ATOM 361 N ALA A 24 2.682 13.011 2.932 1.00 0.00 N ATOM 362 CA ALA A 24 3.155 13.917 1.898 1.00 0.00 C ATOM 363 C ALA A 24 3.376 13.176 0.589 1.00 0.00 C ATOM 364 O ALA A 24 4.506 13.043 0.118 1.00 0.00 O ATOM 365 CB ALA A 24 4.428 14.617 2.342 1.00 0.00 C ATOM 0 H ALA A 24 3.417 12.480 3.400 1.00 0.00 H new ATOM 0 HA ALA A 24 2.388 14.674 1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.766 15.291 1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.232 15.189 3.249 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.201 13.875 2.541 1.00 0.00 H new ATOM 371 N THR A 25 2.278 12.698 0.017 1.00 0.00 N ATOM 372 CA THR A 25 2.302 11.960 -1.241 1.00 0.00 C ATOM 373 C THR A 25 3.216 10.744 -1.159 1.00 0.00 C ATOM 374 O THR A 25 4.266 10.776 -0.519 1.00 0.00 O ATOM 375 CB THR A 25 2.719 12.871 -2.398 1.00 0.00 C ATOM 376 OG1 THR A 25 3.998 13.434 -2.167 1.00 0.00 O ATOM 377 CG2 THR A 25 1.748 14.009 -2.628 1.00 0.00 C ATOM 0 H THR A 25 1.344 12.811 0.412 1.00 0.00 H new ATOM 0 HA THR A 25 1.290 11.602 -1.430 1.00 0.00 H new ATOM 0 HB THR A 25 2.732 12.233 -3.282 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.479 12.893 -1.507 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.095 14.621 -3.460 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.763 13.605 -2.861 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.686 14.621 -1.728 1.00 0.00 H new ATOM 385 N GLY A 26 2.788 9.657 -1.792 1.00 0.00 N ATOM 386 CA GLY A 26 3.556 8.426 -1.762 1.00 0.00 C ATOM 387 C GLY A 26 3.266 7.622 -0.521 1.00 0.00 C ATOM 388 O GLY A 26 3.430 6.406 -0.521 1.00 0.00 O ATOM 0 H GLY A 26 1.921 9.607 -2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.324 7.830 -2.645 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.620 8.659 -1.805 1.00 0.00 H new ATOM 392 N ALA A 27 2.814 8.300 0.536 1.00 0.00 N ATOM 393 CA ALA A 27 2.476 7.634 1.786 1.00 0.00 C ATOM 394 C ALA A 27 1.712 6.354 1.495 1.00 0.00 C ATOM 395 O ALA A 27 0.683 6.386 0.832 1.00 0.00 O ATOM 396 CB ALA A 27 1.651 8.561 2.656 1.00 0.00 C ATOM 0 H ALA A 27 2.675 9.310 0.547 1.00 0.00 H new ATOM 0 HA ALA A 27 3.391 7.380 2.320 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.401 8.057 3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.224 9.463 2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.734 8.831 2.133 1.00 0.00 H new ATOM 402 N PHE A 28 2.239 5.228 1.949 1.00 0.00 N ATOM 403 CA PHE A 28 1.620 3.951 1.688 1.00 0.00 C ATOM 404 C PHE A 28 1.448 3.162 2.977 1.00 0.00 C ATOM 405 O PHE A 28 2.075 3.460 3.992 1.00 0.00 O ATOM 406 CB PHE A 28 2.494 3.192 0.701 1.00 0.00 C ATOM 407 CG PHE A 28 3.954 3.192 1.071 1.00 0.00 C ATOM 408 CD1 PHE A 28 4.710 4.350 1.010 1.00 0.00 C ATOM 409 CD2 PHE A 28 4.570 2.028 1.469 1.00 0.00 C ATOM 410 CE1 PHE A 28 6.049 4.342 1.343 1.00 0.00 C ATOM 411 CE2 PHE A 28 5.911 2.010 1.807 1.00 0.00 C ATOM 412 CZ PHE A 28 6.650 3.170 1.743 1.00 0.00 C ATOM 0 H PHE A 28 3.096 5.179 2.500 1.00 0.00 H new ATOM 0 HA PHE A 28 0.627 4.099 1.265 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.144 2.162 0.635 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.378 3.633 -0.289 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.245 5.273 0.697 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.997 1.114 1.518 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.625 5.254 1.290 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.378 1.088 2.121 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.698 3.160 2.006 1.00 0.00 H new ATOM 422 N LEU A 29 0.584 2.166 2.920 1.00 0.00 N ATOM 423 CA LEU A 29 0.293 1.318 4.070 1.00 0.00 C ATOM 424 C LEU A 29 -0.228 -0.037 3.616 1.00 0.00 C ATOM 425 O LEU A 29 -1.013 -0.125 2.675 1.00 0.00 O ATOM 426 CB LEU A 29 -0.730 1.983 4.993 1.00 0.00 C ATOM 427 CG LEU A 29 -1.952 2.653 4.321 1.00 0.00 C ATOM 428 CD1 LEU A 29 -1.992 2.457 2.817 1.00 0.00 C ATOM 429 CD2 LEU A 29 -3.228 2.121 4.930 1.00 0.00 C ATOM 0 H LEU A 29 0.063 1.919 2.079 1.00 0.00 H new ATOM 0 HA LEU A 29 1.221 1.175 4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.097 1.230 5.690 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.212 2.738 5.584 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.857 3.724 4.501 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.873 2.952 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.095 2.887 2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.036 1.392 2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.085 2.597 4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.281 1.043 4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.240 2.339 5.998 1.00 0.00 H new ATOM 441 N ILE A 30 0.183 -1.095 4.286 1.00 0.00 N ATOM 442 CA ILE A 30 -0.279 -2.421 3.904 1.00 0.00 C ATOM 443 C ILE A 30 -1.252 -2.985 4.923 1.00 0.00 C ATOM 444 O ILE A 30 -0.882 -3.269 6.059 1.00 0.00 O ATOM 445 CB ILE A 30 0.876 -3.420 3.713 1.00 0.00 C ATOM 446 CG1 ILE A 30 2.191 -2.704 3.345 1.00 0.00 C ATOM 447 CG2 ILE A 30 0.487 -4.445 2.657 1.00 0.00 C ATOM 448 CD1 ILE A 30 2.302 -2.296 1.891 1.00 0.00 C ATOM 0 H ILE A 30 0.822 -1.069 5.081 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.784 -2.291 2.947 1.00 0.00 H new ATOM 0 HB ILE A 30 1.055 -3.934 4.657 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.291 -1.814 3.967 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.027 -3.360 3.589 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.304 -5.154 2.520 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.407 -4.979 2.980 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.285 -3.937 1.714 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.258 -1.800 1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.237 -3.181 1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.490 -1.612 1.642 1.00 0.00 H new ATOM 460 N ARG A 31 -2.499 -3.154 4.505 1.00 0.00 N ATOM 461 CA ARG A 31 -3.526 -3.692 5.383 1.00 0.00 C ATOM 462 C ARG A 31 -4.020 -5.033 4.870 1.00 0.00 C ATOM 463 O ARG A 31 -3.557 -5.521 3.839 1.00 0.00 O ATOM 464 CB ARG A 31 -4.699 -2.720 5.490 1.00 0.00 C ATOM 465 CG ARG A 31 -5.432 -2.517 4.179 1.00 0.00 C ATOM 466 CD ARG A 31 -6.148 -1.174 4.147 1.00 0.00 C ATOM 467 NE ARG A 31 -6.949 -1.001 2.938 1.00 0.00 N ATOM 468 CZ ARG A 31 -8.220 -1.382 2.825 1.00 0.00 C ATOM 469 NH1 ARG A 31 -8.837 -1.981 3.838 1.00 0.00 N ATOM 470 NH2 ARG A 31 -8.876 -1.172 1.692 1.00 0.00 N ATOM 0 H ARG A 31 -2.822 -2.926 3.565 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.087 -3.832 6.371 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.401 -3.090 6.237 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.333 -1.757 5.846 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.724 -2.574 3.352 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.155 -3.320 4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.792 -1.087 5.022 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.413 -0.371 4.211 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.508 -0.561 2.130 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.337 -2.152 4.710 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.811 -2.270 3.743 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.407 -0.719 0.908 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.850 -1.464 1.605 1.00 0.00 H new ATOM 484 N VAL A 32 -4.965 -5.626 5.585 1.00 0.00 N ATOM 485 CA VAL A 32 -5.509 -6.910 5.180 1.00 0.00 C ATOM 486 C VAL A 32 -6.627 -6.736 4.162 1.00 0.00 C ATOM 487 O VAL A 32 -7.496 -5.878 4.310 1.00 0.00 O ATOM 488 CB VAL A 32 -6.035 -7.712 6.384 1.00 0.00 C ATOM 489 CG1 VAL A 32 -4.896 -8.065 7.329 1.00 0.00 C ATOM 490 CG2 VAL A 32 -7.119 -6.933 7.112 1.00 0.00 C ATOM 0 H VAL A 32 -5.367 -5.242 6.440 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.691 -7.467 4.723 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.472 -8.640 6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.287 -8.632 8.174 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.157 -8.666 6.799 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.427 -7.150 7.691 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.479 -7.516 7.960 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.710 -5.988 7.469 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.946 -6.736 6.430 1.00 0.00 H new ATOM 500 N SER A 33 -6.581 -7.559 3.124 1.00 0.00 N ATOM 501 CA SER A 33 -7.570 -7.516 2.056 1.00 0.00 C ATOM 502 C SER A 33 -8.992 -7.603 2.599 1.00 0.00 C ATOM 503 O SER A 33 -9.474 -8.684 2.936 1.00 0.00 O ATOM 504 CB SER A 33 -7.316 -8.660 1.075 1.00 0.00 C ATOM 505 OG SER A 33 -6.475 -9.648 1.643 1.00 0.00 O ATOM 0 H SER A 33 -5.862 -8.271 2.998 1.00 0.00 H new ATOM 0 HA SER A 33 -7.470 -6.559 1.543 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.265 -9.110 0.785 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.858 -8.268 0.167 1.00 0.00 H new ATOM 0 HG SER A 33 -6.995 -10.461 1.815 1.00 0.00 H new ATOM 511 N GLU A 34 -9.667 -6.459 2.664 1.00 0.00 N ATOM 512 CA GLU A 34 -11.042 -6.415 3.146 1.00 0.00 C ATOM 513 C GLU A 34 -11.971 -7.113 2.163 1.00 0.00 C ATOM 514 O GLU A 34 -13.052 -7.576 2.525 1.00 0.00 O ATOM 515 CB GLU A 34 -11.491 -4.967 3.358 1.00 0.00 C ATOM 516 CG GLU A 34 -10.902 -4.323 4.602 1.00 0.00 C ATOM 517 CD GLU A 34 -11.320 -5.027 5.878 1.00 0.00 C ATOM 518 OE1 GLU A 34 -10.644 -6.001 6.268 1.00 0.00 O ATOM 519 OE2 GLU A 34 -12.325 -4.602 6.488 1.00 0.00 O ATOM 0 H GLU A 34 -9.285 -5.554 2.390 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.087 -6.937 4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.210 -4.377 2.486 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.579 -4.939 3.425 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.814 -4.328 4.529 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.214 -3.280 4.649 1.00 0.00 H new ATOM 526 N LYS A 35 -11.526 -7.192 0.918 1.00 0.00 N ATOM 527 CA LYS A 35 -12.294 -7.843 -0.141 1.00 0.00 C ATOM 528 C LYS A 35 -11.625 -9.154 -0.559 1.00 0.00 C ATOM 529 O LYS A 35 -12.250 -10.214 -0.513 1.00 0.00 O ATOM 530 CB LYS A 35 -12.461 -6.925 -1.364 1.00 0.00 C ATOM 531 CG LYS A 35 -12.176 -5.451 -1.099 1.00 0.00 C ATOM 532 CD LYS A 35 -11.579 -4.773 -2.322 1.00 0.00 C ATOM 533 CE LYS A 35 -11.540 -3.262 -2.161 1.00 0.00 C ATOM 534 NZ LYS A 35 -10.602 -2.841 -1.083 1.00 0.00 N ATOM 0 H LYS A 35 -10.631 -6.811 0.612 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.285 -8.058 0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.797 -7.273 -2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.480 -7.022 -1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.099 -4.946 -0.815 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.490 -5.357 -0.258 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.569 -5.148 -2.490 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.165 -5.030 -3.204 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.239 -2.804 -3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.541 -2.895 -1.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.237 -1.890 -1.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.104 -2.827 -0.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.809 -3.512 -1.031 1.00 0.00 H new ATOM 548 N PRO A 36 -10.339 -9.109 -0.966 1.00 0.00 N ATOM 549 CA PRO A 36 -9.604 -10.311 -1.380 1.00 0.00 C ATOM 550 C PRO A 36 -9.569 -11.366 -0.276 1.00 0.00 C ATOM 551 O PRO A 36 -10.358 -11.311 0.668 1.00 0.00 O ATOM 552 CB PRO A 36 -8.191 -9.792 -1.676 1.00 0.00 C ATOM 553 CG PRO A 36 -8.357 -8.331 -1.916 1.00 0.00 C ATOM 554 CD PRO A 36 -9.502 -7.898 -1.049 1.00 0.00 C ATOM 0 HA PRO A 36 -10.071 -10.802 -2.234 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.518 -9.980 -0.839 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.763 -10.289 -2.547 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -7.447 -7.788 -1.661 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -8.565 -8.129 -2.967 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.162 -7.575 -0.065 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -10.046 -7.062 -1.488 1.00 0.00 H new ATOM 562 N SER A 37 -8.658 -12.327 -0.398 1.00 0.00 N ATOM 563 CA SER A 37 -8.536 -13.391 0.596 1.00 0.00 C ATOM 564 C SER A 37 -7.077 -13.797 0.796 1.00 0.00 C ATOM 565 O SER A 37 -6.342 -14.003 -0.169 1.00 0.00 O ATOM 566 CB SER A 37 -9.362 -14.608 0.172 1.00 0.00 C ATOM 567 OG SER A 37 -10.630 -14.612 0.807 1.00 0.00 O ATOM 0 H SER A 37 -7.996 -12.392 -1.171 1.00 0.00 H new ATOM 0 HA SER A 37 -8.917 -13.010 1.543 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.494 -14.603 -0.910 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.824 -15.522 0.423 1.00 0.00 H new ATOM 0 HG SER A 37 -11.138 -15.398 0.518 1.00 0.00 H new ATOM 573 N ALA A 38 -6.667 -13.913 2.059 1.00 0.00 N ATOM 574 CA ALA A 38 -5.298 -14.296 2.391 1.00 0.00 C ATOM 575 C ALA A 38 -4.289 -13.417 1.660 1.00 0.00 C ATOM 576 O ALA A 38 -3.265 -13.899 1.173 1.00 0.00 O ATOM 577 CB ALA A 38 -5.064 -15.761 2.057 1.00 0.00 C ATOM 0 H ALA A 38 -7.265 -13.747 2.868 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.157 -14.152 3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.039 -16.033 2.310 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.755 -16.380 2.630 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.230 -15.922 0.992 1.00 0.00 H new ATOM 583 N ASP A 39 -4.591 -12.128 1.582 1.00 0.00 N ATOM 584 CA ASP A 39 -3.721 -11.176 0.903 1.00 0.00 C ATOM 585 C ASP A 39 -3.587 -9.889 1.710 1.00 0.00 C ATOM 586 O ASP A 39 -3.977 -9.833 2.877 1.00 0.00 O ATOM 587 CB ASP A 39 -4.279 -10.859 -0.488 1.00 0.00 C ATOM 588 CG ASP A 39 -4.702 -12.104 -1.242 1.00 0.00 C ATOM 589 OD1 ASP A 39 -4.068 -13.162 -1.046 1.00 0.00 O ATOM 590 OD2 ASP A 39 -5.669 -12.021 -2.029 1.00 0.00 O ATOM 0 H ASP A 39 -5.434 -11.716 1.982 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.733 -11.626 0.805 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.134 -10.190 -0.389 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.524 -10.327 -1.066 1.00 0.00 H new ATOM 595 N TYR A 40 -3.056 -8.850 1.074 1.00 0.00 N ATOM 596 CA TYR A 40 -2.895 -7.555 1.716 1.00 0.00 C ATOM 597 C TYR A 40 -3.147 -6.473 0.706 1.00 0.00 C ATOM 598 O TYR A 40 -2.686 -6.551 -0.424 1.00 0.00 O ATOM 599 CB TYR A 40 -1.492 -7.389 2.328 1.00 0.00 C ATOM 600 CG TYR A 40 -1.477 -7.537 3.834 1.00 0.00 C ATOM 601 CD1 TYR A 40 -1.731 -8.765 4.428 1.00 0.00 C ATOM 602 CD2 TYR A 40 -1.207 -6.452 4.662 1.00 0.00 C ATOM 603 CE1 TYR A 40 -1.715 -8.913 5.802 1.00 0.00 C ATOM 604 CE2 TYR A 40 -1.191 -6.591 6.037 1.00 0.00 C ATOM 605 CZ TYR A 40 -1.444 -7.823 6.602 1.00 0.00 C ATOM 606 OH TYR A 40 -1.427 -7.965 7.970 1.00 0.00 O ATOM 0 H TYR A 40 -2.729 -8.883 0.108 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.615 -7.484 2.531 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.822 -8.129 1.890 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.101 -6.407 2.062 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.945 -9.621 3.805 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.007 -5.486 4.223 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.914 -9.877 6.247 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.981 -5.738 6.666 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.219 -7.102 8.386 1.00 0.00 H new ATOM 616 N VAL A 41 -3.885 -5.468 1.112 1.00 0.00 N ATOM 617 CA VAL A 41 -4.193 -4.370 0.222 1.00 0.00 C ATOM 618 C VAL A 41 -3.379 -3.152 0.600 1.00 0.00 C ATOM 619 O VAL A 41 -3.365 -2.730 1.754 1.00 0.00 O ATOM 620 CB VAL A 41 -5.689 -4.035 0.226 1.00 0.00 C ATOM 621 CG1 VAL A 41 -6.448 -5.065 -0.597 1.00 0.00 C ATOM 622 CG2 VAL A 41 -6.218 -3.977 1.651 1.00 0.00 C ATOM 0 H VAL A 41 -4.283 -5.386 2.048 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.931 -4.679 -0.790 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.837 -3.053 -0.224 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.511 -4.823 -0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.079 -5.055 -1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.299 -6.056 -0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.281 -3.738 1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.070 -4.943 2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.682 -3.208 2.207 1.00 0.00 H new ATOM 632 N LEU A 42 -2.684 -2.604 -0.378 1.00 0.00 N ATOM 633 CA LEU A 42 -1.849 -1.451 -0.147 1.00 0.00 C ATOM 634 C LEU A 42 -2.490 -0.210 -0.707 1.00 0.00 C ATOM 635 O LEU A 42 -2.985 -0.210 -1.826 1.00 0.00 O ATOM 636 CB LEU A 42 -0.484 -1.640 -0.794 1.00 0.00 C ATOM 637 CG LEU A 42 0.432 -0.425 -0.711 1.00 0.00 C ATOM 638 CD1 LEU A 42 0.649 -0.038 0.734 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.751 -0.723 -1.394 1.00 0.00 C ATOM 0 H LEU A 42 -2.684 -2.943 -1.340 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.727 -1.340 0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.014 -2.486 -0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.627 -1.900 -1.843 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.038 0.414 -1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.305 0.831 0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.309 0.204 1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.108 -0.870 1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.399 0.151 -1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.232 -1.569 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.572 -0.966 -2.441 1.00 0.00 H new ATOM 651 N SER A 43 -2.450 0.855 0.056 1.00 0.00 N ATOM 652 CA SER A 43 -3.006 2.107 -0.401 1.00 0.00 C ATOM 653 C SER A 43 -1.974 3.195 -0.317 1.00 0.00 C ATOM 654 O SER A 43 -0.975 3.072 0.385 1.00 0.00 O ATOM 655 CB SER A 43 -4.274 2.468 0.355 1.00 0.00 C ATOM 656 OG SER A 43 -4.110 3.636 1.140 1.00 0.00 O ATOM 0 H SER A 43 -2.041 0.882 0.990 1.00 0.00 H new ATOM 0 HA SER A 43 -3.292 1.993 -1.447 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.088 2.619 -0.354 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.562 1.636 0.998 1.00 0.00 H new ATOM 0 HG SER A 43 -4.982 3.925 1.482 1.00 0.00 H new ATOM 662 N VAL A 44 -2.199 4.241 -1.074 1.00 0.00 N ATOM 663 CA VAL A 44 -1.257 5.339 -1.108 1.00 0.00 C ATOM 664 C VAL A 44 -1.942 6.664 -1.387 1.00 0.00 C ATOM 665 O VAL A 44 -2.813 6.756 -2.251 1.00 0.00 O ATOM 666 CB VAL A 44 -0.176 5.087 -2.177 1.00 0.00 C ATOM 667 CG1 VAL A 44 -0.762 5.208 -3.574 1.00 0.00 C ATOM 668 CG2 VAL A 44 0.998 6.035 -1.993 1.00 0.00 C ATOM 0 H VAL A 44 -3.018 4.358 -1.671 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.794 5.396 -0.123 1.00 0.00 H new ATOM 0 HB VAL A 44 0.194 4.069 -2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.018 5.026 -4.313 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.558 4.474 -3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.167 6.210 -3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.748 5.838 -2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.651 7.065 -2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.437 5.883 -1.007 1.00 0.00 H new ATOM 678 N ARG A 45 -1.516 7.702 -0.676 1.00 0.00 N ATOM 679 CA ARG A 45 -2.067 9.030 -0.887 1.00 0.00 C ATOM 680 C ARG A 45 -1.703 9.499 -2.285 1.00 0.00 C ATOM 681 O ARG A 45 -2.245 10.482 -2.792 1.00 0.00 O ATOM 682 CB ARG A 45 -1.526 10.018 0.148 1.00 0.00 C ATOM 683 CG ARG A 45 -2.193 11.384 0.093 1.00 0.00 C ATOM 684 CD ARG A 45 -1.436 12.404 0.929 1.00 0.00 C ATOM 685 NE ARG A 45 -2.314 13.449 1.448 1.00 0.00 N ATOM 686 CZ ARG A 45 -2.627 14.558 0.779 1.00 0.00 C ATOM 687 NH1 ARG A 45 -2.143 14.770 -0.439 1.00 0.00 N ATOM 688 NH2 ARG A 45 -3.431 15.458 1.330 1.00 0.00 N ATOM 0 H ARG A 45 -0.797 7.648 0.045 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.150 8.985 -0.777 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.660 9.597 1.144 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.454 10.140 -0.004 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.244 11.725 -0.941 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.219 11.305 0.453 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.945 11.898 1.760 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.651 12.858 0.324 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.712 13.322 2.379 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.526 14.081 -0.870 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.388 15.622 -0.944 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.809 15.300 2.264 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.672 16.308 0.819 1.00 0.00 H new ATOM 702 N ASP A 46 -0.773 8.777 -2.901 1.00 0.00 N ATOM 703 CA ASP A 46 -0.318 9.100 -4.249 1.00 0.00 C ATOM 704 C ASP A 46 0.134 10.559 -4.334 1.00 0.00 C ATOM 705 O ASP A 46 1.270 10.883 -3.998 1.00 0.00 O ATOM 706 CB ASP A 46 -1.430 8.797 -5.267 1.00 0.00 C ATOM 707 CG ASP A 46 -1.023 7.753 -6.287 1.00 0.00 C ATOM 708 OD1 ASP A 46 -0.695 6.620 -5.883 1.00 0.00 O ATOM 709 OD2 ASP A 46 -1.034 8.072 -7.495 1.00 0.00 O ATOM 0 H ASP A 46 -0.319 7.963 -2.488 1.00 0.00 H new ATOM 0 HA ASP A 46 0.543 8.477 -4.489 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.318 8.453 -4.737 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.703 9.717 -5.784 1.00 0.00 H new ATOM 714 N THR A 47 -0.760 11.429 -4.775 1.00 0.00 N ATOM 715 CA THR A 47 -0.459 12.852 -4.897 1.00 0.00 C ATOM 716 C THR A 47 -1.488 13.701 -4.155 1.00 0.00 C ATOM 717 O THR A 47 -1.236 14.863 -3.835 1.00 0.00 O ATOM 718 CB THR A 47 -0.407 13.262 -6.371 1.00 0.00 C ATOM 719 OG1 THR A 47 -0.012 14.617 -6.499 1.00 0.00 O ATOM 720 CG2 THR A 47 -1.732 13.101 -7.083 1.00 0.00 C ATOM 0 H THR A 47 -1.707 11.175 -5.057 1.00 0.00 H new ATOM 0 HA THR A 47 0.517 13.026 -4.444 1.00 0.00 H new ATOM 0 HB THR A 47 0.319 12.593 -6.833 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.017 14.861 -7.448 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.626 13.409 -8.123 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.042 12.057 -7.043 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.484 13.721 -6.596 1.00 0.00 H new ATOM 728 N GLN A 48 -2.641 13.108 -3.885 1.00 0.00 N ATOM 729 CA GLN A 48 -3.721 13.788 -3.181 1.00 0.00 C ATOM 730 C GLN A 48 -4.709 12.778 -2.624 1.00 0.00 C ATOM 731 O GLN A 48 -4.749 12.515 -1.422 1.00 0.00 O ATOM 732 CB GLN A 48 -4.438 14.764 -4.118 1.00 0.00 C ATOM 733 CG GLN A 48 -3.618 15.999 -4.453 1.00 0.00 C ATOM 734 CD GLN A 48 -4.453 17.104 -5.070 1.00 0.00 C ATOM 735 OE1 GLN A 48 -5.468 17.518 -4.509 1.00 0.00 O ATOM 736 NE2 GLN A 48 -4.028 17.588 -6.232 1.00 0.00 N ATOM 0 H GLN A 48 -2.855 12.146 -4.146 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.291 14.350 -2.352 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.693 14.246 -5.042 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.376 15.075 -3.657 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.142 16.372 -3.546 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.819 15.724 -5.142 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.181 17.215 -6.661 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.549 18.333 -6.695 1.00 0.00 H new ATOM 745 N ALA A 49 -5.491 12.211 -3.519 1.00 0.00 N ATOM 746 CA ALA A 49 -6.488 11.209 -3.158 1.00 0.00 C ATOM 747 C ALA A 49 -5.816 9.936 -2.655 1.00 0.00 C ATOM 748 O ALA A 49 -4.598 9.893 -2.490 1.00 0.00 O ATOM 749 CB ALA A 49 -7.371 10.895 -4.358 1.00 0.00 C ATOM 0 H ALA A 49 -5.458 12.427 -4.515 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.107 11.612 -2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.112 10.146 -4.078 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.878 11.803 -4.684 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.756 10.511 -5.172 1.00 0.00 H new ATOM 755 N VAL A 50 -6.610 8.894 -2.427 1.00 0.00 N ATOM 756 CA VAL A 50 -6.073 7.623 -1.962 1.00 0.00 C ATOM 757 C VAL A 50 -6.203 6.563 -3.040 1.00 0.00 C ATOM 758 O VAL A 50 -7.276 6.363 -3.609 1.00 0.00 O ATOM 759 CB VAL A 50 -6.769 7.123 -0.682 1.00 0.00 C ATOM 760 CG1 VAL A 50 -6.228 5.754 -0.279 1.00 0.00 C ATOM 761 CG2 VAL A 50 -6.583 8.125 0.442 1.00 0.00 C ATOM 0 H VAL A 50 -7.622 8.906 -2.556 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.022 7.797 -1.731 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.836 7.022 -0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.731 5.416 0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.410 5.040 -1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.156 5.826 -0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.080 7.760 1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.519 8.254 0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.016 9.082 0.152 1.00 0.00 H new ATOM 771 N ARG A 51 -5.101 5.891 -3.313 1.00 0.00 N ATOM 772 CA ARG A 51 -5.073 4.851 -4.321 1.00 0.00 C ATOM 773 C ARG A 51 -4.820 3.499 -3.669 1.00 0.00 C ATOM 774 O ARG A 51 -3.702 3.206 -3.250 1.00 0.00 O ATOM 775 CB ARG A 51 -3.983 5.152 -5.348 1.00 0.00 C ATOM 776 CG ARG A 51 -4.322 6.293 -6.295 1.00 0.00 C ATOM 777 CD ARG A 51 -4.467 7.624 -5.574 1.00 0.00 C ATOM 778 NE ARG A 51 -5.815 8.175 -5.710 1.00 0.00 N ATOM 779 CZ ARG A 51 -6.251 8.803 -6.800 1.00 0.00 C ATOM 780 NH1 ARG A 51 -5.448 8.975 -7.842 1.00 0.00 N ATOM 781 NH2 ARG A 51 -7.494 9.262 -6.847 1.00 0.00 N ATOM 0 H ARG A 51 -4.208 6.049 -2.846 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.038 4.821 -4.828 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.059 5.393 -4.822 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.791 4.253 -5.933 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.542 6.377 -7.052 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.251 6.063 -6.818 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.234 7.492 -4.517 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.743 8.334 -5.974 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.458 8.072 -4.925 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.490 8.625 -7.811 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.788 9.457 -8.674 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.115 9.134 -6.048 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.829 9.743 -7.682 1.00 0.00 H new ATOM 795 N HIS A 52 -5.862 2.682 -3.571 1.00 0.00 N ATOM 796 CA HIS A 52 -5.728 1.371 -2.951 1.00 0.00 C ATOM 797 C HIS A 52 -5.230 0.348 -3.961 1.00 0.00 C ATOM 798 O HIS A 52 -5.298 0.571 -5.168 1.00 0.00 O ATOM 799 CB HIS A 52 -7.060 0.910 -2.361 1.00 0.00 C ATOM 800 CG HIS A 52 -7.477 1.726 -1.190 1.00 0.00 C ATOM 801 ND1 HIS A 52 -6.899 1.584 0.046 1.00 0.00 N ATOM 802 CD2 HIS A 52 -8.373 2.734 -1.076 1.00 0.00 C ATOM 803 CE1 HIS A 52 -7.410 2.470 0.871 1.00 0.00 C ATOM 804 NE2 HIS A 52 -8.311 3.182 0.219 1.00 0.00 N ATOM 0 H HIS A 52 -6.799 2.901 -3.909 1.00 0.00 H new ATOM 0 HA HIS A 52 -4.999 1.456 -2.145 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -7.831 0.962 -3.129 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.979 -0.135 -2.061 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.015 3.114 -1.857 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.138 2.595 1.909 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -8.869 3.940 0.613 1.00 0.00 H new ATOM 813 N TYR A 53 -4.720 -0.770 -3.458 1.00 0.00 N ATOM 814 CA TYR A 53 -4.190 -1.818 -4.317 1.00 0.00 C ATOM 815 C TYR A 53 -4.226 -3.180 -3.631 1.00 0.00 C ATOM 816 O TYR A 53 -3.824 -3.313 -2.479 1.00 0.00 O ATOM 817 CB TYR A 53 -2.742 -1.498 -4.697 1.00 0.00 C ATOM 818 CG TYR A 53 -2.465 -0.036 -4.981 1.00 0.00 C ATOM 819 CD1 TYR A 53 -2.870 0.546 -6.174 1.00 0.00 C ATOM 820 CD2 TYR A 53 -1.774 0.757 -4.068 1.00 0.00 C ATOM 821 CE1 TYR A 53 -2.597 1.870 -6.455 1.00 0.00 C ATOM 822 CE2 TYR A 53 -1.503 2.084 -4.340 1.00 0.00 C ATOM 823 CZ TYR A 53 -1.912 2.636 -5.535 1.00 0.00 C ATOM 824 OH TYR A 53 -1.629 3.955 -5.810 1.00 0.00 O ATOM 0 H TYR A 53 -4.663 -0.973 -2.460 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.817 -1.859 -5.207 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.089 -1.826 -3.889 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.476 -2.081 -5.579 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.409 -0.048 -6.897 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.445 0.328 -3.133 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.918 2.304 -7.391 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.972 2.687 -3.618 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.063 4.214 -6.650 1.00 0.00 H new ATOM 834 N LYS A 54 -4.679 -4.196 -4.355 1.00 0.00 N ATOM 835 CA LYS A 54 -4.729 -5.551 -3.825 1.00 0.00 C ATOM 836 C LYS A 54 -3.376 -6.230 -4.013 1.00 0.00 C ATOM 837 O LYS A 54 -2.949 -6.468 -5.141 1.00 0.00 O ATOM 838 CB LYS A 54 -5.816 -6.365 -4.531 1.00 0.00 C ATOM 839 CG LYS A 54 -5.873 -7.820 -4.089 1.00 0.00 C ATOM 840 CD LYS A 54 -6.919 -8.598 -4.870 1.00 0.00 C ATOM 841 CE LYS A 54 -6.335 -9.196 -6.140 1.00 0.00 C ATOM 842 NZ LYS A 54 -6.584 -8.332 -7.327 1.00 0.00 N ATOM 0 H LYS A 54 -5.018 -4.106 -5.313 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.966 -5.499 -2.762 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.784 -5.900 -4.346 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.645 -6.327 -5.607 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.896 -8.282 -4.228 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.101 -7.869 -3.024 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.324 -9.394 -4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.749 -7.939 -5.125 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.262 -9.339 -6.014 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.770 -10.181 -6.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.286 -8.786 -7.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.944 -7.408 -7.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.696 -8.198 -7.851 1.00 0.00 H new ATOM 856 N ILE A 55 -2.714 -6.547 -2.907 1.00 0.00 N ATOM 857 CA ILE A 55 -1.416 -7.206 -2.955 1.00 0.00 C ATOM 858 C ILE A 55 -1.616 -8.703 -2.772 1.00 0.00 C ATOM 859 O ILE A 55 -1.785 -9.187 -1.655 1.00 0.00 O ATOM 860 CB ILE A 55 -0.463 -6.670 -1.864 1.00 0.00 C ATOM 861 CG1 ILE A 55 -0.733 -5.193 -1.552 1.00 0.00 C ATOM 862 CG2 ILE A 55 0.989 -6.852 -2.272 1.00 0.00 C ATOM 863 CD1 ILE A 55 -0.387 -4.824 -0.131 1.00 0.00 C ATOM 0 H ILE A 55 -3.056 -6.358 -1.965 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.959 -6.998 -3.923 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.653 -7.251 -0.961 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.155 -4.570 -2.235 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.785 -4.974 -1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.639 -6.466 -1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.194 -7.912 -2.425 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.178 -6.309 -3.198 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.599 -3.767 0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.984 -5.424 0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.672 -5.014 0.047 1.00 0.00 H new ATOM 875 N TRP A 56 -1.632 -9.423 -3.885 1.00 0.00 N ATOM 876 CA TRP A 56 -1.857 -10.862 -3.867 1.00 0.00 C ATOM 877 C TRP A 56 -0.563 -11.632 -3.615 1.00 0.00 C ATOM 878 O TRP A 56 0.522 -11.183 -3.979 1.00 0.00 O ATOM 879 CB TRP A 56 -2.501 -11.285 -5.194 1.00 0.00 C ATOM 880 CG TRP A 56 -2.966 -12.709 -5.223 1.00 0.00 C ATOM 881 CD1 TRP A 56 -3.405 -13.447 -4.167 1.00 0.00 C ATOM 882 CD2 TRP A 56 -3.045 -13.563 -6.370 1.00 0.00 C ATOM 883 NE1 TRP A 56 -3.748 -14.711 -4.582 1.00 0.00 N ATOM 884 CE2 TRP A 56 -3.537 -14.807 -5.931 1.00 0.00 C ATOM 885 CE3 TRP A 56 -2.746 -13.398 -7.726 1.00 0.00 C ATOM 886 CZ2 TRP A 56 -3.737 -15.878 -6.799 1.00 0.00 C ATOM 887 CZ3 TRP A 56 -2.946 -14.461 -8.587 1.00 0.00 C ATOM 888 CH2 TRP A 56 -3.438 -15.687 -8.121 1.00 0.00 C ATOM 0 H TRP A 56 -1.491 -9.032 -4.816 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.530 -11.102 -3.044 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.350 -10.633 -5.397 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.782 -11.133 -5.999 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.474 -13.091 -3.150 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -4.102 -15.456 -3.983 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -2.366 -12.457 -8.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -4.114 -16.825 -6.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -2.719 -14.344 -9.636 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -3.584 -16.498 -8.819 1.00 0.00 H new ATOM 899 N ARG A 57 -0.689 -12.792 -2.981 1.00 0.00 N ATOM 900 CA ARG A 57 0.463 -13.630 -2.678 1.00 0.00 C ATOM 901 C ARG A 57 0.686 -14.650 -3.790 1.00 0.00 C ATOM 902 O ARG A 57 -0.185 -14.862 -4.633 1.00 0.00 O ATOM 903 CB ARG A 57 0.260 -14.346 -1.340 1.00 0.00 C ATOM 904 CG ARG A 57 1.430 -14.192 -0.382 1.00 0.00 C ATOM 905 CD ARG A 57 1.000 -14.400 1.063 1.00 0.00 C ATOM 906 NE ARG A 57 0.999 -13.150 1.819 1.00 0.00 N ATOM 907 CZ ARG A 57 1.014 -13.088 3.148 1.00 0.00 C ATOM 908 NH1 ARG A 57 1.029 -14.201 3.872 1.00 0.00 N ATOM 909 NH2 ARG A 57 1.012 -11.910 3.757 1.00 0.00 N ATOM 0 H ARG A 57 -1.581 -13.174 -2.666 1.00 0.00 H new ATOM 0 HA ARG A 57 1.345 -12.994 -2.606 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.641 -13.960 -0.864 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.092 -15.407 -1.527 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.208 -14.911 -0.638 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.865 -13.199 -0.494 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.002 -14.838 1.085 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.671 -15.113 1.542 1.00 0.00 H new ATOM 0 HE ARG A 57 0.986 -12.273 1.298 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.029 -15.110 3.410 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.040 -14.147 4.890 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.999 -11.051 3.207 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.023 -11.863 4.776 1.00 0.00 H new ATOM 923 N ARG A 58 1.857 -15.275 -3.789 1.00 0.00 N ATOM 924 CA ARG A 58 2.189 -16.269 -4.804 1.00 0.00 C ATOM 925 C ARG A 58 2.067 -17.684 -4.248 1.00 0.00 C ATOM 926 O ARG A 58 2.730 -18.606 -4.723 1.00 0.00 O ATOM 927 CB ARG A 58 3.606 -16.031 -5.322 1.00 0.00 C ATOM 928 CG ARG A 58 3.659 -15.167 -6.572 1.00 0.00 C ATOM 929 CD ARG A 58 4.682 -15.687 -7.569 1.00 0.00 C ATOM 930 NE ARG A 58 4.411 -15.218 -8.926 1.00 0.00 N ATOM 931 CZ ARG A 58 4.902 -15.792 -10.022 1.00 0.00 C ATOM 932 NH1 ARG A 58 5.692 -16.855 -9.926 1.00 0.00 N ATOM 933 NH2 ARG A 58 4.602 -15.303 -11.217 1.00 0.00 N ATOM 0 H ARG A 58 2.591 -15.113 -3.100 1.00 0.00 H new ATOM 0 HA ARG A 58 1.481 -16.166 -5.627 1.00 0.00 H new ATOM 0 HB2 ARG A 58 4.196 -15.557 -4.537 1.00 0.00 H new ATOM 0 HB3 ARG A 58 4.073 -16.993 -5.535 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.675 -15.142 -7.040 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.907 -14.142 -6.296 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.679 -15.366 -7.267 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.680 -16.777 -7.555 1.00 0.00 H new ATOM 0 HE ARG A 58 3.810 -14.402 -9.040 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.925 -17.236 -9.009 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.065 -17.291 -10.769 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.995 -14.487 -11.296 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.978 -15.743 -12.057 1.00 0.00 H new ATOM 947 N ALA A 59 1.216 -17.851 -3.240 1.00 0.00 N ATOM 948 CA ALA A 59 1.008 -19.155 -2.622 1.00 0.00 C ATOM 949 C ALA A 59 2.331 -19.786 -2.196 1.00 0.00 C ATOM 950 O ALA A 59 2.444 -21.008 -2.098 1.00 0.00 O ATOM 951 CB ALA A 59 0.267 -20.079 -3.579 1.00 0.00 C ATOM 0 H ALA A 59 0.659 -17.099 -2.834 1.00 0.00 H new ATOM 0 HA ALA A 59 0.403 -19.009 -1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.118 -21.049 -3.106 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.701 -19.644 -3.828 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.853 -20.206 -4.489 1.00 0.00 H new ATOM 957 N GLY A 60 3.330 -18.945 -1.943 1.00 0.00 N ATOM 958 CA GLY A 60 4.630 -19.443 -1.530 1.00 0.00 C ATOM 959 C GLY A 60 5.592 -18.330 -1.165 1.00 0.00 C ATOM 960 O GLY A 60 6.799 -18.448 -1.379 1.00 0.00 O ATOM 0 H GLY A 60 3.263 -17.930 -2.016 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.506 -20.106 -0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.059 -20.039 -2.335 1.00 0.00 H new ATOM 964 N GLY A 61 5.059 -17.247 -0.608 1.00 0.00 N ATOM 965 CA GLY A 61 5.893 -16.127 -0.217 1.00 0.00 C ATOM 966 C GLY A 61 6.272 -15.242 -1.389 1.00 0.00 C ATOM 967 O GLY A 61 7.356 -15.380 -1.953 1.00 0.00 O ATOM 0 H GLY A 61 4.064 -17.126 -0.421 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.367 -15.530 0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.800 -16.503 0.257 1.00 0.00 H new ATOM 971 N ARG A 62 5.378 -14.325 -1.751 1.00 0.00 N ATOM 972 CA ARG A 62 5.624 -13.405 -2.857 1.00 0.00 C ATOM 973 C ARG A 62 4.382 -12.571 -3.147 1.00 0.00 C ATOM 974 O ARG A 62 3.375 -13.079 -3.639 1.00 0.00 O ATOM 975 CB ARG A 62 6.057 -14.161 -4.117 1.00 0.00 C ATOM 976 CG ARG A 62 7.371 -13.667 -4.700 1.00 0.00 C ATOM 977 CD ARG A 62 7.986 -14.691 -5.643 1.00 0.00 C ATOM 978 NE ARG A 62 9.357 -15.024 -5.268 1.00 0.00 N ATOM 979 CZ ARG A 62 10.250 -15.547 -6.106 1.00 0.00 C ATOM 980 NH1 ARG A 62 9.920 -15.800 -7.367 1.00 0.00 N ATOM 981 NH2 ARG A 62 11.476 -15.819 -5.681 1.00 0.00 N ATOM 0 H ARG A 62 4.475 -14.200 -1.293 1.00 0.00 H new ATOM 0 HA ARG A 62 6.434 -12.738 -2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.149 -15.221 -3.881 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.276 -14.069 -4.872 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.203 -12.733 -5.236 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.070 -13.450 -3.892 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.379 -15.596 -5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.973 -14.301 -6.661 1.00 0.00 H new ATOM 0 HE ARG A 62 9.648 -14.845 -4.307 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.978 -15.594 -7.699 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.609 -16.201 -8.004 1.00 0.00 H new ATOM 0 HH21 ARG A 62 11.734 -15.628 -4.713 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.161 -16.220 -6.322 1.00 0.00 H new ATOM 995 N LEU A 63 4.469 -11.287 -2.834 1.00 0.00 N ATOM 996 CA LEU A 63 3.370 -10.362 -3.052 1.00 0.00 C ATOM 997 C LEU A 63 3.457 -9.745 -4.433 1.00 0.00 C ATOM 998 O LEU A 63 4.548 -9.488 -4.940 1.00 0.00 O ATOM 999 CB LEU A 63 3.384 -9.257 -1.997 1.00 0.00 C ATOM 1000 CG LEU A 63 2.742 -9.643 -0.670 1.00 0.00 C ATOM 1001 CD1 LEU A 63 1.312 -10.105 -0.894 1.00 0.00 C ATOM 1002 CD2 LEU A 63 3.559 -10.730 0.009 1.00 0.00 C ATOM 0 H LEU A 63 5.299 -10.860 -2.424 1.00 0.00 H new ATOM 0 HA LEU A 63 2.438 -10.921 -2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.417 -8.960 -1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.867 -8.384 -2.396 1.00 0.00 H new ATOM 0 HG LEU A 63 2.722 -8.770 -0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.864 -10.378 0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.736 -9.299 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.309 -10.970 -1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.091 -10.998 0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.603 -11.608 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.569 -10.364 0.194 1.00 0.00 H new ATOM 1014 N HIS A 64 2.307 -9.498 -5.034 1.00 0.00 N ATOM 1015 CA HIS A 64 2.262 -8.899 -6.351 1.00 0.00 C ATOM 1016 C HIS A 64 0.942 -8.176 -6.570 1.00 0.00 C ATOM 1017 O HIS A 64 -0.083 -8.792 -6.862 1.00 0.00 O ATOM 1018 CB HIS A 64 2.498 -9.954 -7.440 1.00 0.00 C ATOM 1019 CG HIS A 64 1.628 -11.171 -7.343 1.00 0.00 C ATOM 1020 ND1 HIS A 64 0.511 -11.417 -6.620 1.00 0.00 N flip ATOM 1021 CD2 HIS A 64 1.880 -12.326 -8.054 1.00 0.00 C flip ATOM 1022 CE1 HIS A 64 0.114 -12.701 -6.905 1.00 0.00 C flip ATOM 1023 NE2 HIS A 64 0.956 -13.226 -7.774 1.00 0.00 N flip ATOM 0 H HIS A 64 1.394 -9.704 -4.629 1.00 0.00 H new ATOM 0 HA HIS A 64 3.064 -8.164 -6.417 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.341 -9.490 -8.414 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.541 -10.268 -7.401 1.00 0.00 H new ATOM 0 HD1 HIS A 64 0.049 -10.769 -5.982 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.706 -12.471 -8.735 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.747 -13.199 -6.486 1.00 0.00 H new ATOM 1032 N LEU A 65 0.972 -6.857 -6.426 1.00 0.00 N ATOM 1033 CA LEU A 65 -0.223 -6.054 -6.618 1.00 0.00 C ATOM 1034 C LEU A 65 -0.668 -6.125 -8.075 1.00 0.00 C ATOM 1035 O LEU A 65 -1.819 -5.840 -8.407 1.00 0.00 O ATOM 1036 CB LEU A 65 0.031 -4.601 -6.215 1.00 0.00 C ATOM 1037 CG LEU A 65 0.368 -4.394 -4.739 1.00 0.00 C ATOM 1038 CD1 LEU A 65 1.840 -4.670 -4.490 1.00 0.00 C ATOM 1039 CD2 LEU A 65 0.008 -2.983 -4.298 1.00 0.00 C ATOM 0 H LEU A 65 1.807 -6.326 -6.178 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.014 -6.452 -5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.850 -4.209 -6.818 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.853 -4.012 -6.457 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.222 -5.096 -4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.065 -4.518 -3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.069 -5.699 -4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.444 -3.991 -5.091 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.256 -2.857 -3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.570 -2.262 -4.892 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.060 -2.818 -4.442 1.00 0.00 H new ATOM 1051 N ASN A 66 0.266 -6.519 -8.932 1.00 0.00 N ATOM 1052 CA ASN A 66 0.011 -6.651 -10.360 1.00 0.00 C ATOM 1053 C ASN A 66 0.805 -7.823 -10.929 1.00 0.00 C ATOM 1054 O ASN A 66 1.598 -8.447 -10.225 1.00 0.00 O ATOM 1055 CB ASN A 66 0.382 -5.360 -11.090 1.00 0.00 C ATOM 1056 CG ASN A 66 -0.544 -5.068 -12.255 1.00 0.00 C ATOM 1057 OD1 ASN A 66 -1.764 -5.024 -12.097 1.00 0.00 O ATOM 1058 ND2 ASN A 66 0.033 -4.870 -13.434 1.00 0.00 N ATOM 0 H ASN A 66 1.219 -6.755 -8.657 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.052 -6.840 -10.507 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.352 -4.527 -10.388 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.407 -5.433 -11.454 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.539 -4.672 -14.255 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.048 -4.916 -13.519 1.00 0.00 H new ATOM 1065 N GLU A 67 0.590 -8.118 -12.207 1.00 0.00 N ATOM 1066 CA GLU A 67 1.287 -9.222 -12.862 1.00 0.00 C ATOM 1067 C GLU A 67 2.707 -8.832 -13.275 1.00 0.00 C ATOM 1068 O GLU A 67 3.292 -9.457 -14.159 1.00 0.00 O ATOM 1069 CB GLU A 67 0.501 -9.690 -14.088 1.00 0.00 C ATOM 1070 CG GLU A 67 -0.407 -10.878 -13.812 1.00 0.00 C ATOM 1071 CD GLU A 67 -1.784 -10.717 -14.427 1.00 0.00 C ATOM 1072 OE1 GLU A 67 -1.863 -10.325 -15.609 1.00 0.00 O ATOM 1073 OE2 GLU A 67 -2.781 -10.983 -13.725 1.00 0.00 O ATOM 0 H GLU A 67 -0.059 -7.611 -12.809 1.00 0.00 H new ATOM 0 HA GLU A 67 1.359 -10.037 -12.142 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.102 -8.862 -14.461 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.202 -9.955 -14.879 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.057 -11.784 -14.203 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.508 -11.011 -12.735 1.00 0.00 H new ATOM 1080 N ALA A 68 3.263 -7.804 -12.636 1.00 0.00 N ATOM 1081 CA ALA A 68 4.611 -7.357 -12.955 1.00 0.00 C ATOM 1082 C ALA A 68 5.331 -6.790 -11.731 1.00 0.00 C ATOM 1083 O ALA A 68 6.370 -6.144 -11.864 1.00 0.00 O ATOM 1084 CB ALA A 68 4.568 -6.320 -14.066 1.00 0.00 C ATOM 0 H ALA A 68 2.802 -7.270 -11.899 1.00 0.00 H new ATOM 0 HA ALA A 68 5.175 -8.227 -13.292 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.582 -5.992 -14.297 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.117 -6.759 -14.956 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.975 -5.465 -13.743 1.00 0.00 H new ATOM 1090 N VAL A 69 4.782 -7.025 -10.538 1.00 0.00 N ATOM 1091 CA VAL A 69 5.402 -6.519 -9.315 1.00 0.00 C ATOM 1092 C VAL A 69 5.419 -7.579 -8.213 1.00 0.00 C ATOM 1093 O VAL A 69 4.900 -7.358 -7.119 1.00 0.00 O ATOM 1094 CB VAL A 69 4.679 -5.255 -8.803 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.661 -4.180 -9.879 1.00 0.00 C ATOM 1096 CG2 VAL A 69 3.261 -5.582 -8.351 1.00 0.00 C ATOM 0 H VAL A 69 3.922 -7.555 -10.394 1.00 0.00 H new ATOM 0 HA VAL A 69 6.431 -6.262 -9.567 1.00 0.00 H new ATOM 0 HB VAL A 69 5.229 -4.876 -7.942 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.148 -3.296 -9.501 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.684 -3.918 -10.149 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.138 -4.555 -10.759 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.774 -4.674 -7.995 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.697 -5.991 -9.189 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.296 -6.315 -7.545 1.00 0.00 H new ATOM 1106 N SER A 70 6.017 -8.729 -8.506 1.00 0.00 N ATOM 1107 CA SER A 70 6.093 -9.819 -7.539 1.00 0.00 C ATOM 1108 C SER A 70 7.292 -9.664 -6.608 1.00 0.00 C ATOM 1109 O SER A 70 8.401 -9.362 -7.050 1.00 0.00 O ATOM 1110 CB SER A 70 6.167 -11.164 -8.262 1.00 0.00 C ATOM 1111 OG SER A 70 5.303 -11.189 -9.386 1.00 0.00 O ATOM 0 H SER A 70 6.456 -8.931 -9.404 1.00 0.00 H new ATOM 0 HA SER A 70 5.189 -9.783 -6.931 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.192 -11.352 -8.583 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.897 -11.965 -7.574 1.00 0.00 H new ATOM 0 HG SER A 70 5.371 -12.059 -9.831 1.00 0.00 H new ATOM 1117 N PHE A 71 7.059 -9.875 -5.313 1.00 0.00 N ATOM 1118 CA PHE A 71 8.118 -9.762 -4.313 1.00 0.00 C ATOM 1119 C PHE A 71 7.810 -10.599 -3.078 1.00 0.00 C ATOM 1120 O PHE A 71 6.775 -10.430 -2.441 1.00 0.00 O ATOM 1121 CB PHE A 71 8.317 -8.301 -3.922 1.00 0.00 C ATOM 1122 CG PHE A 71 9.352 -7.602 -4.756 1.00 0.00 C ATOM 1123 CD1 PHE A 71 10.699 -7.743 -4.470 1.00 0.00 C ATOM 1124 CD2 PHE A 71 8.975 -6.811 -5.828 1.00 0.00 C ATOM 1125 CE1 PHE A 71 11.655 -7.106 -5.240 1.00 0.00 C ATOM 1126 CE2 PHE A 71 9.925 -6.172 -6.601 1.00 0.00 C ATOM 1127 CZ PHE A 71 11.266 -6.319 -6.307 1.00 0.00 C ATOM 0 H PHE A 71 6.146 -10.125 -4.933 1.00 0.00 H new ATOM 0 HA PHE A 71 9.038 -10.144 -4.755 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.368 -7.774 -4.016 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.609 -8.249 -2.873 1.00 0.00 H new ATOM 0 HD1 PHE A 71 11.007 -8.357 -3.637 1.00 0.00 H new ATOM 0 HD2 PHE A 71 7.927 -6.692 -6.062 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.703 -7.223 -5.008 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.619 -5.558 -7.435 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.010 -5.820 -6.910 1.00 0.00 H new ATOM 1137 N LEU A 72 8.739 -11.497 -2.762 1.00 0.00 N ATOM 1138 CA LEU A 72 8.649 -12.404 -1.610 1.00 0.00 C ATOM 1139 C LEU A 72 7.744 -11.887 -0.486 1.00 0.00 C ATOM 1140 O LEU A 72 7.018 -12.662 0.136 1.00 0.00 O ATOM 1141 CB LEU A 72 10.053 -12.636 -1.058 1.00 0.00 C ATOM 1142 CG LEU A 72 10.925 -11.380 -1.011 1.00 0.00 C ATOM 1143 CD1 LEU A 72 10.617 -10.568 0.241 1.00 0.00 C ATOM 1144 CD2 LEU A 72 12.398 -11.748 -1.064 1.00 0.00 C ATOM 0 H LEU A 72 9.593 -11.621 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 72 8.198 -13.330 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.972 -13.046 -0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.552 -13.388 -1.669 1.00 0.00 H new ATOM 0 HG LEU A 72 10.697 -10.768 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.245 -9.677 0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.568 -10.272 0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.817 -11.173 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.001 -10.841 -1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.646 -12.381 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.605 -12.287 -1.989 1.00 0.00 H new ATOM 1156 N SER A 73 7.797 -10.586 -0.218 1.00 0.00 N ATOM 1157 CA SER A 73 6.988 -9.996 0.843 1.00 0.00 C ATOM 1158 C SER A 73 6.639 -8.546 0.533 1.00 0.00 C ATOM 1159 O SER A 73 7.092 -7.986 -0.465 1.00 0.00 O ATOM 1160 CB SER A 73 7.725 -10.076 2.181 1.00 0.00 C ATOM 1161 OG SER A 73 6.880 -9.696 3.253 1.00 0.00 O ATOM 0 H SER A 73 8.389 -9.923 -0.718 1.00 0.00 H new ATOM 0 HA SER A 73 6.060 -10.565 0.907 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.085 -11.092 2.341 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.601 -9.427 2.157 1.00 0.00 H new ATOM 0 HG SER A 73 7.374 -9.757 4.097 1.00 0.00 H new ATOM 1167 N LEU A 74 5.830 -7.943 1.400 1.00 0.00 N ATOM 1168 CA LEU A 74 5.422 -6.557 1.217 1.00 0.00 C ATOM 1169 C LEU A 74 6.637 -5.632 1.159 1.00 0.00 C ATOM 1170 O LEU A 74 6.871 -4.969 0.151 1.00 0.00 O ATOM 1171 CB LEU A 74 4.495 -6.105 2.344 1.00 0.00 C ATOM 1172 CG LEU A 74 3.067 -5.772 1.910 1.00 0.00 C ATOM 1173 CD1 LEU A 74 3.058 -5.105 0.539 1.00 0.00 C ATOM 1174 CD2 LEU A 74 2.207 -7.025 1.904 1.00 0.00 C ATOM 0 H LEU A 74 5.447 -8.392 2.232 1.00 0.00 H new ATOM 0 HA LEU A 74 4.885 -6.499 0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.456 -6.890 3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.929 -5.226 2.821 1.00 0.00 H new ATOM 0 HG LEU A 74 2.646 -5.069 2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.031 -4.878 0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.636 -4.182 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.500 -5.778 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.194 -6.770 1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.628 -7.752 1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.182 -7.454 2.906 1.00 0.00 H new ATOM 1186 N PRO A 75 7.429 -5.574 2.252 1.00 0.00 N ATOM 1187 CA PRO A 75 8.621 -4.731 2.340 1.00 0.00 C ATOM 1188 C PRO A 75 9.398 -4.677 1.029 1.00 0.00 C ATOM 1189 O PRO A 75 9.800 -3.603 0.579 1.00 0.00 O ATOM 1190 CB PRO A 75 9.462 -5.396 3.444 1.00 0.00 C ATOM 1191 CG PRO A 75 8.643 -6.540 3.968 1.00 0.00 C ATOM 1192 CD PRO A 75 7.233 -6.319 3.496 1.00 0.00 C ATOM 0 HA PRO A 75 8.364 -3.694 2.556 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.414 -5.749 3.048 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.691 -4.686 4.239 1.00 0.00 H new ATOM 0 HG2 PRO A 75 9.029 -7.491 3.601 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.684 -6.578 5.057 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.709 -7.260 3.327 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.647 -5.753 4.220 1.00 0.00 H new ATOM 1200 N GLU A 76 9.595 -5.836 0.411 1.00 0.00 N ATOM 1201 CA GLU A 76 10.309 -5.904 -0.856 1.00 0.00 C ATOM 1202 C GLU A 76 9.387 -5.482 -1.993 1.00 0.00 C ATOM 1203 O GLU A 76 9.795 -4.770 -2.910 1.00 0.00 O ATOM 1204 CB GLU A 76 10.837 -7.318 -1.099 1.00 0.00 C ATOM 1205 CG GLU A 76 11.742 -7.826 0.013 1.00 0.00 C ATOM 1206 CD GLU A 76 12.847 -6.848 0.364 1.00 0.00 C ATOM 1207 OE1 GLU A 76 13.777 -6.684 -0.454 1.00 0.00 O ATOM 1208 OE2 GLU A 76 12.783 -6.246 1.456 1.00 0.00 O ATOM 0 H GLU A 76 9.272 -6.736 0.765 1.00 0.00 H new ATOM 0 HA GLU A 76 11.159 -5.223 -0.816 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.993 -7.999 -1.209 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.386 -7.336 -2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.142 -8.024 0.901 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.185 -8.775 -0.290 1.00 0.00 H new ATOM 1215 N LEU A 77 8.134 -5.918 -1.911 1.00 0.00 N ATOM 1216 CA LEU A 77 7.134 -5.579 -2.917 1.00 0.00 C ATOM 1217 C LEU A 77 6.980 -4.064 -3.021 1.00 0.00 C ATOM 1218 O LEU A 77 6.963 -3.506 -4.117 1.00 0.00 O ATOM 1219 CB LEU A 77 5.793 -6.244 -2.566 1.00 0.00 C ATOM 1220 CG LEU A 77 4.528 -5.566 -3.115 1.00 0.00 C ATOM 1221 CD1 LEU A 77 4.128 -4.382 -2.242 1.00 0.00 C ATOM 1222 CD2 LEU A 77 4.727 -5.129 -4.563 1.00 0.00 C ATOM 0 H LEU A 77 7.786 -6.509 -1.156 1.00 0.00 H new ATOM 0 HA LEU A 77 7.462 -5.953 -3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.815 -7.271 -2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.710 -6.293 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 77 3.718 -6.295 -3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.230 -3.917 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.929 -4.728 -1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.938 -3.653 -2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.817 -4.652 -4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.555 -4.422 -4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.952 -6.000 -5.178 1.00 0.00 H new ATOM 1234 N VAL A 78 6.878 -3.406 -1.873 1.00 0.00 N ATOM 1235 CA VAL A 78 6.737 -1.960 -1.836 1.00 0.00 C ATOM 1236 C VAL A 78 8.016 -1.289 -2.329 1.00 0.00 C ATOM 1237 O VAL A 78 7.975 -0.220 -2.937 1.00 0.00 O ATOM 1238 CB VAL A 78 6.403 -1.464 -0.412 1.00 0.00 C ATOM 1239 CG1 VAL A 78 6.386 0.057 -0.350 1.00 0.00 C ATOM 1240 CG2 VAL A 78 5.069 -2.032 0.053 1.00 0.00 C ATOM 0 H VAL A 78 6.891 -3.853 -0.956 1.00 0.00 H new ATOM 0 HA VAL A 78 5.911 -1.691 -2.495 1.00 0.00 H new ATOM 0 HB VAL A 78 7.185 -1.819 0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.148 0.377 0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.365 0.444 -0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.632 0.441 -1.038 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.851 -1.672 1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.280 -1.711 -0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.120 -3.121 0.061 1.00 0.00 H new ATOM 1250 N ASN A 79 9.154 -1.931 -2.071 1.00 0.00 N ATOM 1251 CA ASN A 79 10.446 -1.402 -2.496 1.00 0.00 C ATOM 1252 C ASN A 79 10.421 -1.045 -3.978 1.00 0.00 C ATOM 1253 O ASN A 79 10.704 0.091 -4.360 1.00 0.00 O ATOM 1254 CB ASN A 79 11.554 -2.420 -2.220 1.00 0.00 C ATOM 1255 CG ASN A 79 12.939 -1.810 -2.323 1.00 0.00 C ATOM 1256 OD1 ASN A 79 13.561 -1.481 -1.312 1.00 0.00 O ATOM 1257 ND2 ASN A 79 13.429 -1.656 -3.547 1.00 0.00 N ATOM 0 H ASN A 79 9.206 -2.818 -1.570 1.00 0.00 H new ATOM 0 HA ASN A 79 10.649 -0.496 -1.925 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.418 -2.840 -1.223 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.470 -3.245 -2.927 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.356 -1.251 -3.678 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.879 -1.943 -4.356 1.00 0.00 H new ATOM 1264 N TYR A 80 10.068 -2.019 -4.811 1.00 0.00 N ATOM 1265 CA TYR A 80 9.994 -1.799 -6.248 1.00 0.00 C ATOM 1266 C TYR A 80 8.936 -0.750 -6.564 1.00 0.00 C ATOM 1267 O TYR A 80 9.085 0.037 -7.498 1.00 0.00 O ATOM 1268 CB TYR A 80 9.676 -3.107 -6.976 1.00 0.00 C ATOM 1269 CG TYR A 80 9.491 -2.943 -8.467 1.00 0.00 C ATOM 1270 CD1 TYR A 80 8.286 -2.490 -8.993 1.00 0.00 C ATOM 1271 CD2 TYR A 80 10.520 -3.240 -9.351 1.00 0.00 C ATOM 1272 CE1 TYR A 80 8.114 -2.339 -10.355 1.00 0.00 C ATOM 1273 CE2 TYR A 80 10.356 -3.092 -10.715 1.00 0.00 C ATOM 1274 CZ TYR A 80 9.152 -2.640 -11.212 1.00 0.00 C ATOM 1275 OH TYR A 80 8.985 -2.490 -12.569 1.00 0.00 O ATOM 0 H TYR A 80 9.830 -2.966 -4.515 1.00 0.00 H new ATOM 0 HA TYR A 80 10.963 -1.438 -6.594 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.482 -3.818 -6.795 1.00 0.00 H new ATOM 0 HB3 TYR A 80 8.769 -3.538 -6.551 1.00 0.00 H new ATOM 0 HD1 TYR A 80 7.471 -2.252 -8.325 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.465 -3.593 -8.966 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.171 -1.987 -10.747 1.00 0.00 H new ATOM 0 HE2 TYR A 80 11.167 -3.329 -11.388 1.00 0.00 H new ATOM 0 HH TYR A 80 9.812 -2.744 -13.030 1.00 0.00 H new ATOM 1285 N HIS A 81 7.870 -0.737 -5.768 1.00 0.00 N ATOM 1286 CA HIS A 81 6.794 0.226 -5.955 1.00 0.00 C ATOM 1287 C HIS A 81 7.319 1.643 -5.772 1.00 0.00 C ATOM 1288 O HIS A 81 6.852 2.579 -6.420 1.00 0.00 O ATOM 1289 CB HIS A 81 5.659 -0.028 -4.959 1.00 0.00 C ATOM 1290 CG HIS A 81 4.511 -0.814 -5.514 1.00 0.00 C ATOM 1291 ND1 HIS A 81 4.201 -0.842 -6.854 1.00 0.00 N ATOM 1292 CD2 HIS A 81 3.592 -1.600 -4.900 1.00 0.00 C ATOM 1293 CE1 HIS A 81 3.147 -1.612 -7.046 1.00 0.00 C ATOM 1294 NE2 HIS A 81 2.757 -2.084 -5.878 1.00 0.00 N ATOM 0 H HIS A 81 7.730 -1.382 -4.990 1.00 0.00 H new ATOM 0 HA HIS A 81 6.408 0.109 -6.968 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.062 -0.557 -4.096 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.286 0.931 -4.600 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.708 -0.344 -7.586 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.528 -1.807 -3.842 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.682 -1.820 -7.998 1.00 0.00 H new ATOM 1303 N ARG A 82 8.291 1.796 -4.875 1.00 0.00 N ATOM 1304 CA ARG A 82 8.870 3.103 -4.607 1.00 0.00 C ATOM 1305 C ARG A 82 9.702 3.577 -5.779 1.00 0.00 C ATOM 1306 O ARG A 82 9.794 4.771 -6.056 1.00 0.00 O ATOM 1307 CB ARG A 82 9.705 3.070 -3.321 1.00 0.00 C ATOM 1308 CG ARG A 82 10.507 4.341 -3.065 1.00 0.00 C ATOM 1309 CD ARG A 82 11.974 4.035 -2.803 1.00 0.00 C ATOM 1310 NE ARG A 82 12.801 4.261 -3.988 1.00 0.00 N ATOM 1311 CZ ARG A 82 13.906 5.006 -4.000 1.00 0.00 C ATOM 1312 NH1 ARG A 82 14.334 5.605 -2.894 1.00 0.00 N ATOM 1313 NH2 ARG A 82 14.591 5.152 -5.127 1.00 0.00 N ATOM 0 H ARG A 82 8.690 1.034 -4.326 1.00 0.00 H new ATOM 0 HA ARG A 82 8.055 3.813 -4.466 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.041 2.896 -2.474 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.391 2.224 -3.368 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.421 5.005 -3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.087 4.871 -2.210 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.334 4.659 -1.985 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.076 2.998 -2.482 1.00 0.00 H new ATOM 0 HE ARG A 82 12.513 3.820 -4.862 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.815 5.497 -2.022 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.181 6.172 -2.917 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.271 4.695 -5.981 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.437 5.722 -5.139 1.00 0.00 H new ATOM 1327 N ALA A 83 10.288 2.634 -6.477 1.00 0.00 N ATOM 1328 CA ALA A 83 11.084 2.956 -7.639 1.00 0.00 C ATOM 1329 C ALA A 83 10.157 3.269 -8.802 1.00 0.00 C ATOM 1330 O ALA A 83 10.077 4.403 -9.274 1.00 0.00 O ATOM 1331 CB ALA A 83 12.017 1.803 -7.986 1.00 0.00 C ATOM 0 H ALA A 83 10.229 1.639 -6.262 1.00 0.00 H new ATOM 0 HA ALA A 83 11.702 3.828 -7.426 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.608 2.065 -8.864 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.683 1.608 -7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.429 0.910 -8.198 1.00 0.00 H new ATOM 1337 N GLN A 84 9.447 2.240 -9.239 1.00 0.00 N ATOM 1338 CA GLN A 84 8.490 2.358 -10.333 1.00 0.00 C ATOM 1339 C GLN A 84 7.061 2.515 -9.815 1.00 0.00 C ATOM 1340 O GLN A 84 6.692 1.921 -8.801 1.00 0.00 O ATOM 1341 CB GLN A 84 8.580 1.134 -11.249 1.00 0.00 C ATOM 1342 CG GLN A 84 8.637 1.483 -12.727 1.00 0.00 C ATOM 1343 CD GLN A 84 9.978 2.061 -13.139 1.00 0.00 C ATOM 1344 OE1 GLN A 84 10.343 3.163 -12.730 1.00 0.00 O ATOM 1345 NE2 GLN A 84 10.717 1.318 -13.955 1.00 0.00 N ATOM 0 H GLN A 84 9.516 1.301 -8.847 1.00 0.00 H new ATOM 0 HA GLN A 84 8.744 3.254 -10.899 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.467 0.558 -10.986 1.00 0.00 H new ATOM 0 HB3 GLN A 84 7.718 0.492 -11.069 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.435 0.588 -13.316 1.00 0.00 H new ATOM 0 HG3 GLN A 84 7.850 2.201 -12.958 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.374 0.410 -14.269 1.00 0.00 H new ATOM 0 HE22 GLN A 84 11.627 1.655 -14.268 1.00 0.00 H new ATOM 1354 N SER A 85 6.248 3.279 -10.536 1.00 0.00 N ATOM 1355 CA SER A 85 4.846 3.466 -10.166 1.00 0.00 C ATOM 1356 C SER A 85 3.967 2.478 -10.938 1.00 0.00 C ATOM 1357 O SER A 85 2.749 2.637 -11.008 1.00 0.00 O ATOM 1358 CB SER A 85 4.396 4.898 -10.455 1.00 0.00 C ATOM 1359 OG SER A 85 5.261 5.529 -11.382 1.00 0.00 O ATOM 0 H SER A 85 6.533 3.779 -11.378 1.00 0.00 H new ATOM 0 HA SER A 85 4.744 3.281 -9.097 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.380 4.890 -10.849 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.374 5.469 -9.527 1.00 0.00 H new ATOM 0 HG SER A 85 5.251 5.034 -12.228 1.00 0.00 H new ATOM 1365 N LEU A 86 4.604 1.459 -11.526 1.00 0.00 N ATOM 1366 CA LEU A 86 3.899 0.444 -12.306 1.00 0.00 C ATOM 1367 C LEU A 86 2.668 -0.072 -11.572 1.00 0.00 C ATOM 1368 O LEU A 86 2.765 -0.587 -10.458 1.00 0.00 O ATOM 1369 CB LEU A 86 4.837 -0.723 -12.624 1.00 0.00 C ATOM 1370 CG LEU A 86 4.335 -1.682 -13.707 1.00 0.00 C ATOM 1371 CD1 LEU A 86 5.053 -1.427 -15.024 1.00 0.00 C ATOM 1372 CD2 LEU A 86 4.521 -3.128 -13.269 1.00 0.00 C ATOM 0 H LEU A 86 5.613 1.318 -11.474 1.00 0.00 H new ATOM 0 HA LEU A 86 3.569 0.911 -13.234 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.801 -0.320 -12.935 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.009 -1.290 -11.709 1.00 0.00 H new ATOM 0 HG LEU A 86 3.270 -1.502 -13.856 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.682 -2.119 -15.780 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.868 -0.403 -15.347 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.124 -1.577 -14.889 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.159 -3.795 -14.051 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.579 -3.321 -13.089 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.959 -3.306 -12.352 1.00 0.00 H new ATOM 1384 N SER A 87 1.509 0.070 -12.206 1.00 0.00 N ATOM 1385 CA SER A 87 0.252 -0.380 -11.619 1.00 0.00 C ATOM 1386 C SER A 87 0.076 0.180 -10.211 1.00 0.00 C ATOM 1387 O SER A 87 -0.645 -0.391 -9.392 1.00 0.00 O ATOM 1388 CB SER A 87 0.203 -1.907 -11.581 1.00 0.00 C ATOM 1389 OG SER A 87 1.003 -2.417 -10.527 1.00 0.00 O ATOM 0 H SER A 87 1.414 0.494 -13.129 1.00 0.00 H new ATOM 0 HA SER A 87 -0.563 -0.011 -12.241 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.828 -2.238 -11.452 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.550 -2.309 -12.533 1.00 0.00 H new ATOM 0 HG SER A 87 1.700 -1.766 -10.301 1.00 0.00 H new ATOM 1395 N HIS A 88 0.735 1.302 -9.935 1.00 0.00 N ATOM 1396 CA HIS A 88 0.647 1.933 -8.628 1.00 0.00 C ATOM 1397 C HIS A 88 0.729 3.451 -8.770 1.00 0.00 C ATOM 1398 O HIS A 88 1.788 4.003 -9.065 1.00 0.00 O ATOM 1399 CB HIS A 88 1.752 1.402 -7.711 1.00 0.00 C ATOM 1400 CG HIS A 88 1.561 1.764 -6.275 1.00 0.00 C ATOM 1401 ND1 HIS A 88 1.535 0.829 -5.262 1.00 0.00 N ATOM 1402 CD2 HIS A 88 1.384 2.965 -5.680 1.00 0.00 C ATOM 1403 CE1 HIS A 88 1.352 1.441 -4.108 1.00 0.00 C ATOM 1404 NE2 HIS A 88 1.257 2.737 -4.335 1.00 0.00 N ATOM 0 H HIS A 88 1.334 1.790 -10.600 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.314 1.688 -8.176 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.797 0.317 -7.801 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.712 1.790 -8.050 1.00 0.00 H new ATOM 0 HD1 HIS A 88 1.641 -0.178 -5.386 1.00 0.00 H new ATOM 0 HD2 HIS A 88 1.349 3.925 -6.173 1.00 0.00 H new ATOM 0 HE1 HIS A 88 1.290 0.963 -3.142 1.00 0.00 H new ATOM 1413 N GLY A 89 -0.418 4.103 -8.575 1.00 0.00 N ATOM 1414 CA GLY A 89 -0.533 5.554 -8.694 1.00 0.00 C ATOM 1415 C GLY A 89 0.771 6.319 -8.527 1.00 0.00 C ATOM 1416 O GLY A 89 1.203 7.024 -9.440 1.00 0.00 O ATOM 0 H GLY A 89 -1.292 3.639 -8.330 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.953 5.791 -9.672 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.243 5.909 -7.947 1.00 0.00 H new ATOM 1420 N LEU A 90 1.385 6.201 -7.358 1.00 0.00 N ATOM 1421 CA LEU A 90 2.627 6.907 -7.073 1.00 0.00 C ATOM 1422 C LEU A 90 3.670 5.968 -6.484 1.00 0.00 C ATOM 1423 O LEU A 90 3.375 4.823 -6.143 1.00 0.00 O ATOM 1424 CB LEU A 90 2.358 8.059 -6.100 1.00 0.00 C ATOM 1425 CG LEU A 90 2.914 9.423 -6.515 1.00 0.00 C ATOM 1426 CD1 LEU A 90 1.821 10.276 -7.144 1.00 0.00 C ATOM 1427 CD2 LEU A 90 3.523 10.136 -5.316 1.00 0.00 C ATOM 0 H LEU A 90 1.043 5.622 -6.591 1.00 0.00 H new ATOM 0 HA LEU A 90 3.016 7.304 -8.011 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.280 8.152 -5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.779 7.796 -5.129 1.00 0.00 H new ATOM 0 HG LEU A 90 3.697 9.265 -7.257 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.235 11.242 -7.433 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.428 9.771 -8.026 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.017 10.426 -6.424 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.914 11.104 -5.628 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.759 10.282 -4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.333 9.533 -4.907 1.00 0.00 H new ATOM 1439 N ARG A 91 4.890 6.469 -6.367 1.00 0.00 N ATOM 1440 CA ARG A 91 5.990 5.689 -5.818 1.00 0.00 C ATOM 1441 C ARG A 91 5.992 5.737 -4.291 1.00 0.00 C ATOM 1442 O ARG A 91 6.199 6.792 -3.693 1.00 0.00 O ATOM 1443 CB ARG A 91 7.318 6.218 -6.357 1.00 0.00 C ATOM 1444 CG ARG A 91 7.643 5.729 -7.760 1.00 0.00 C ATOM 1445 CD ARG A 91 8.288 6.823 -8.599 1.00 0.00 C ATOM 1446 NE ARG A 91 7.416 7.266 -9.683 1.00 0.00 N ATOM 1447 CZ ARG A 91 7.846 7.907 -10.767 1.00 0.00 C ATOM 1448 NH1 ARG A 91 9.135 8.187 -10.915 1.00 0.00 N ATOM 1449 NH2 ARG A 91 6.985 8.272 -11.708 1.00 0.00 N ATOM 0 H ARG A 91 5.145 7.416 -6.646 1.00 0.00 H new ATOM 0 HA ARG A 91 5.859 4.651 -6.124 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.292 7.308 -6.358 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.120 5.919 -5.682 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.314 4.872 -7.701 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.730 5.386 -8.247 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.533 7.672 -7.961 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.226 6.455 -9.015 1.00 0.00 H new ATOM 0 HE ARG A 91 6.418 7.073 -9.605 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.803 7.911 -10.195 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.458 8.679 -11.748 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.993 8.061 -11.601 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.315 8.763 -12.539 1.00 0.00 H new ATOM 1463 N LEU A 92 5.768 4.582 -3.667 1.00 0.00 N ATOM 1464 CA LEU A 92 5.750 4.477 -2.207 1.00 0.00 C ATOM 1465 C LEU A 92 6.952 5.198 -1.592 1.00 0.00 C ATOM 1466 O LEU A 92 8.049 4.646 -1.524 1.00 0.00 O ATOM 1467 CB LEU A 92 5.745 3.003 -1.797 1.00 0.00 C ATOM 1468 CG LEU A 92 4.365 2.314 -1.764 1.00 0.00 C ATOM 1469 CD1 LEU A 92 3.279 3.166 -2.415 1.00 0.00 C ATOM 1470 CD2 LEU A 92 4.432 0.946 -2.417 1.00 0.00 C ATOM 0 H LEU A 92 5.596 3.701 -4.151 1.00 0.00 H new ATOM 0 HA LEU A 92 4.845 4.956 -1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.387 2.453 -2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.194 2.920 -0.807 1.00 0.00 H new ATOM 0 HG LEU A 92 4.094 2.191 -0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.326 2.639 -2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.196 4.115 -1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.539 3.353 -3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.448 0.478 -2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.747 1.053 -3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.149 0.323 -1.883 1.00 0.00 H new ATOM 1482 N ALA A 93 6.737 6.441 -1.162 1.00 0.00 N ATOM 1483 CA ALA A 93 7.805 7.250 -0.573 1.00 0.00 C ATOM 1484 C ALA A 93 7.895 7.075 0.943 1.00 0.00 C ATOM 1485 O ALA A 93 8.751 6.342 1.440 1.00 0.00 O ATOM 1486 CB ALA A 93 7.601 8.717 -0.921 1.00 0.00 C ATOM 0 H ALA A 93 5.833 6.910 -1.210 1.00 0.00 H new ATOM 0 HA ALA A 93 8.748 6.902 -0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.401 9.311 -0.478 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.615 8.839 -2.004 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.641 9.053 -0.530 1.00 0.00 H new ATOM 1492 N ALA A 94 7.014 7.755 1.675 1.00 0.00 N ATOM 1493 CA ALA A 94 7.007 7.676 3.135 1.00 0.00 C ATOM 1494 C ALA A 94 5.877 6.781 3.643 1.00 0.00 C ATOM 1495 O ALA A 94 5.053 6.307 2.865 1.00 0.00 O ATOM 1496 CB ALA A 94 6.891 9.069 3.736 1.00 0.00 C ATOM 0 H ALA A 94 6.297 8.365 1.282 1.00 0.00 H new ATOM 0 HA ALA A 94 7.950 7.229 3.450 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.887 8.997 4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.738 9.675 3.416 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.964 9.534 3.400 1.00 0.00 H new ATOM 1502 N PRO A 95 5.827 6.536 4.965 1.00 0.00 N ATOM 1503 CA PRO A 95 4.798 5.694 5.575 1.00 0.00 C ATOM 1504 C PRO A 95 3.515 6.456 5.880 1.00 0.00 C ATOM 1505 O PRO A 95 3.524 7.679 6.027 1.00 0.00 O ATOM 1506 CB PRO A 95 5.461 5.244 6.873 1.00 0.00 C ATOM 1507 CG PRO A 95 6.348 6.382 7.254 1.00 0.00 C ATOM 1508 CD PRO A 95 6.775 7.053 5.970 1.00 0.00 C ATOM 0 HA PRO A 95 4.491 4.882 4.916 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.721 5.041 7.647 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.032 4.327 6.730 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.820 7.084 7.900 1.00 0.00 H new ATOM 0 HG3 PRO A 95 7.215 6.026 7.811 1.00 0.00 H new ATOM 0 HD2 PRO A 95 6.720 8.139 6.049 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.805 6.804 5.713 1.00 0.00 H new ATOM 1516 N CYS A 96 2.412 5.721 5.984 1.00 0.00 N ATOM 1517 CA CYS A 96 1.118 6.320 6.284 1.00 0.00 C ATOM 1518 C CYS A 96 1.098 6.850 7.716 1.00 0.00 C ATOM 1519 O CYS A 96 1.252 6.089 8.670 1.00 0.00 O ATOM 1520 CB CYS A 96 0.003 5.291 6.087 1.00 0.00 C ATOM 1521 SG CYS A 96 -1.655 5.915 6.447 1.00 0.00 S ATOM 0 H CYS A 96 2.390 4.708 5.865 1.00 0.00 H new ATOM 0 HA CYS A 96 0.953 7.154 5.601 1.00 0.00 H new ATOM 0 HB2 CYS A 96 0.029 4.936 5.057 1.00 0.00 H new ATOM 0 HB3 CYS A 96 0.202 4.430 6.726 1.00 0.00 H new ATOM 0 HG CYS A 96 -2.527 4.971 6.249 1.00 0.00 H new ATOM 1527 N ARG A 97 0.918 8.158 7.859 1.00 0.00 N ATOM 1528 CA ARG A 97 0.888 8.784 9.177 1.00 0.00 C ATOM 1529 C ARG A 97 -0.197 8.168 10.057 1.00 0.00 C ATOM 1530 O ARG A 97 -1.382 8.225 9.732 1.00 0.00 O ATOM 1531 CB ARG A 97 0.662 10.292 9.045 1.00 0.00 C ATOM 1532 CG ARG A 97 1.533 11.120 9.974 1.00 0.00 C ATOM 1533 CD ARG A 97 2.974 11.171 9.490 1.00 0.00 C ATOM 1534 NE ARG A 97 3.927 11.036 10.589 1.00 0.00 N ATOM 1535 CZ ARG A 97 5.242 11.190 10.453 1.00 0.00 C ATOM 1536 NH1 ARG A 97 5.764 11.485 9.269 1.00 0.00 N ATOM 1537 NH2 ARG A 97 6.038 11.051 11.504 1.00 0.00 N ATOM 0 H ARG A 97 0.791 8.805 7.081 1.00 0.00 H new ATOM 0 HA ARG A 97 1.853 8.608 9.653 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.856 10.591 8.015 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.386 10.513 9.249 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.135 12.132 10.041 1.00 0.00 H new ATOM 0 HG3 ARG A 97 1.500 10.697 10.978 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.141 10.374 8.766 1.00 0.00 H new ATOM 0 HD3 ARG A 97 3.149 12.114 8.972 1.00 0.00 H new ATOM 0 HE ARG A 97 3.563 10.810 11.515 1.00 0.00 H new ATOM 0 HH11 ARG A 97 5.157 11.595 8.457 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.773 11.602 9.171 1.00 0.00 H new ATOM 0 HH21 ARG A 97 5.643 10.826 12.417 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.046 11.169 11.400 1.00 0.00 H new