USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=22 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 66 ASN : amide:sc= -2.36 K(o=-3.6,f=-5!) USER MOD Set 1.2: A 87 SER OG : rot -59:sc= -1.25 USER MOD Set 2.1: A 43 SER OG : rot 142:sc= -4.39! USER MOD Set 2.2: A 52 HIS : no HE2:sc= -12! C(o=-16!,f=-23!) USER MOD Set 3.1: A 23 ASN : amide:sc= -7.4! C(o=-15!,f=-17!) USER MOD Set 3.2: A 96 CYS SG : rot -64:sc= -7.84! USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 10:sc= 0.0314 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0976 K(o=-0.098,f=-0.63) USER MOD Single : A 25 THR OG1 : rot 5:sc= 0.701 USER MOD Single : A 33 SER OG : rot 170:sc= 0.113 USER MOD Single : A 35 LYS NZ :NH3+ -146:sc= 0 (180deg=-1.02) 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 47 THR OG1 : rot -11:sc= 0.768! USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot -114:sc= -2.81 USER MOD Single : A 54 LYS NZ :NH3+ 137:sc= 0.798 (180deg=0.0177) USER MOD Single : A 64 HIS : no HE2:sc= -4.3! C(o=-4.3!,f=-6.1!) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0206 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0582 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= -13.5! C(o=-13!,f=-17!) USER MOD Single : A 84 GLN : amide:sc= -0.548 X(o=-0.55,f=-0.062) USER MOD Single : A 85 SER OG : rot 180:sc= -1.15 USER MOD Single : A 88 HIS : no HE2:sc= -15.6! C(o=-16!,f=-18!) USER MOD ----------------------------------------------------------------- ATOM 29 N PRO A 3 5.905 1.655 4.783 1.00 0.00 N ATOM 30 CA PRO A 3 4.454 1.788 4.624 1.00 0.00 C ATOM 31 C PRO A 3 3.704 1.816 5.951 1.00 0.00 C ATOM 32 O PRO A 3 2.747 2.570 6.120 1.00 0.00 O ATOM 33 CB PRO A 3 4.087 0.502 3.885 1.00 0.00 C ATOM 34 CG PRO A 3 5.072 -0.508 4.371 1.00 0.00 C ATOM 35 CD PRO A 3 6.337 0.246 4.702 1.00 0.00 C ATOM 0 HA PRO A 3 4.192 2.718 4.120 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.064 0.196 4.106 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.154 0.633 2.805 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.691 -1.029 5.249 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.260 -1.264 3.608 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.769 -0.093 5.644 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.097 0.106 3.934 1.00 0.00 H new ATOM 43 N TRP A 4 4.122 0.945 6.871 1.00 0.00 N ATOM 44 CA TRP A 4 3.480 0.804 8.174 1.00 0.00 C ATOM 45 C TRP A 4 2.396 -0.263 8.073 1.00 0.00 C ATOM 46 O TRP A 4 1.230 0.038 7.808 1.00 0.00 O ATOM 47 CB TRP A 4 2.882 2.127 8.667 1.00 0.00 C ATOM 48 CG TRP A 4 2.821 2.229 10.160 1.00 0.00 C ATOM 49 CD1 TRP A 4 2.453 1.246 11.034 1.00 0.00 C ATOM 50 CD2 TRP A 4 3.138 3.376 10.957 1.00 0.00 C ATOM 51 NE1 TRP A 4 2.521 1.712 12.324 1.00 0.00 N ATOM 52 CE2 TRP A 4 2.939 3.017 12.303 1.00 0.00 C ATOM 53 CE3 TRP A 4 3.571 4.672 10.662 1.00 0.00 C ATOM 54 CZ2 TRP A 4 3.159 3.907 13.351 1.00 0.00 C ATOM 55 CZ3 TRP A 4 3.789 5.554 11.703 1.00 0.00 C ATOM 56 CH2 TRP A 4 3.583 5.168 13.033 1.00 0.00 C ATOM 0 H TRP A 4 4.915 0.319 6.731 1.00 0.00 H new ATOM 0 HA TRP A 4 4.235 0.508 8.902 1.00 0.00 H new ATOM 0 HB2 TRP A 4 3.476 2.954 8.277 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.877 2.237 8.261 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.152 0.248 10.752 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.297 1.174 13.161 1.00 0.00 H new ATOM 0 HE3 TRP A 4 3.732 4.978 9.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 3.001 3.612 14.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 4.124 6.558 11.487 1.00 0.00 H new ATOM 0 HH2 TRP A 4 3.763 5.881 13.824 1.00 0.00 H new ATOM 67 N PHE A 5 2.801 -1.514 8.254 1.00 0.00 N ATOM 68 CA PHE A 5 1.882 -2.642 8.157 1.00 0.00 C ATOM 69 C PHE A 5 0.771 -2.552 9.194 1.00 0.00 C ATOM 70 O PHE A 5 1.022 -2.580 10.399 1.00 0.00 O ATOM 71 CB PHE A 5 2.644 -3.958 8.325 1.00 0.00 C ATOM 72 CG PHE A 5 3.895 -4.034 7.501 1.00 0.00 C ATOM 73 CD1 PHE A 5 3.840 -4.412 6.169 1.00 0.00 C ATOM 74 CD2 PHE A 5 5.127 -3.724 8.055 1.00 0.00 C ATOM 75 CE1 PHE A 5 4.989 -4.480 5.406 1.00 0.00 C ATOM 76 CE2 PHE A 5 6.280 -3.791 7.297 1.00 0.00 C ATOM 77 CZ PHE A 5 6.211 -4.169 5.970 1.00 0.00 C ATOM 0 H PHE A 5 3.763 -1.774 8.470 1.00 0.00 H new ATOM 0 HA PHE A 5 1.423 -2.610 7.169 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.902 -4.088 9.376 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.989 -4.785 8.053 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.887 -4.656 5.722 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.186 -3.427 9.092 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.932 -4.776 4.369 1.00 0.00 H new ATOM 0 HE2 PHE A 5 7.234 -3.548 7.741 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.111 -4.221 5.375 1.00 0.00 H new ATOM 87 N PHE A 6 -0.462 -2.466 8.712 1.00 0.00 N ATOM 88 CA PHE A 6 -1.627 -2.396 9.581 1.00 0.00 C ATOM 89 C PHE A 6 -2.693 -3.357 9.078 1.00 0.00 C ATOM 90 O PHE A 6 -3.449 -3.036 8.165 1.00 0.00 O ATOM 91 CB PHE A 6 -2.176 -0.967 9.630 1.00 0.00 C ATOM 92 CG PHE A 6 -2.356 -0.445 11.026 1.00 0.00 C ATOM 93 CD1 PHE A 6 -2.971 -1.220 11.996 1.00 0.00 C ATOM 94 CD2 PHE A 6 -1.908 0.821 11.369 1.00 0.00 C ATOM 95 CE1 PHE A 6 -3.137 -0.742 13.282 1.00 0.00 C ATOM 96 CE2 PHE A 6 -2.070 1.304 12.654 1.00 0.00 C ATOM 97 CZ PHE A 6 -2.687 0.522 13.612 1.00 0.00 C ATOM 0 H PHE A 6 -0.681 -2.443 7.716 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.335 -2.681 10.592 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -1.499 -0.307 9.088 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.135 -0.936 9.112 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.325 -2.209 11.744 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.427 1.437 10.624 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -3.618 -1.356 14.029 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.715 2.291 12.909 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.817 0.898 14.616 1.00 0.00 H new ATOM 107 N GLY A 7 -2.745 -4.544 9.673 1.00 0.00 N ATOM 108 CA GLY A 7 -3.710 -5.536 9.258 1.00 0.00 C ATOM 109 C GLY A 7 -5.039 -5.376 9.948 1.00 0.00 C ATOM 110 O GLY A 7 -5.808 -6.333 10.052 1.00 0.00 O ATOM 0 H GLY A 7 -2.133 -4.834 10.436 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.854 -5.468 8.180 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.315 -6.531 9.465 1.00 0.00 H new ATOM 114 N CYS A 8 -5.324 -4.169 10.424 1.00 0.00 N ATOM 115 CA CYS A 8 -6.578 -3.921 11.103 1.00 0.00 C ATOM 116 C CYS A 8 -7.255 -2.645 10.604 1.00 0.00 C ATOM 117 O CYS A 8 -8.238 -2.190 11.189 1.00 0.00 O ATOM 118 CB CYS A 8 -6.361 -3.843 12.615 1.00 0.00 C ATOM 119 SG CYS A 8 -6.572 -5.421 13.473 1.00 0.00 S ATOM 0 H CYS A 8 -4.708 -3.359 10.351 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.240 -4.757 10.877 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -5.356 -3.468 12.808 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.058 -3.117 13.034 1.00 0.00 H new ATOM 0 HG CYS A 8 -6.366 -5.254 14.746 1.00 0.00 H new ATOM 125 N ILE A 9 -6.738 -2.072 9.519 1.00 0.00 N ATOM 126 CA ILE A 9 -7.318 -0.857 8.958 1.00 0.00 C ATOM 127 C ILE A 9 -8.201 -1.183 7.759 1.00 0.00 C ATOM 128 O ILE A 9 -7.802 -1.930 6.866 1.00 0.00 O ATOM 129 CB ILE A 9 -6.239 0.157 8.527 1.00 0.00 C ATOM 130 CG1 ILE A 9 -5.224 -0.495 7.591 1.00 0.00 C ATOM 131 CG2 ILE A 9 -5.538 0.744 9.741 1.00 0.00 C ATOM 132 CD1 ILE A 9 -4.125 0.448 7.162 1.00 0.00 C ATOM 0 H ILE A 9 -5.925 -2.427 9.015 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.918 -0.406 9.748 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.733 0.966 7.988 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.781 -1.358 8.089 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.741 -0.868 6.707 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.781 1.457 9.415 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.267 1.253 10.372 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.063 -0.056 10.309 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.436 -0.074 6.498 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.560 1.299 6.637 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.585 0.801 8.041 1.00 0.00 H new ATOM 144 N SER A 10 -9.403 -0.620 7.746 1.00 0.00 N ATOM 145 CA SER A 10 -10.344 -0.852 6.657 1.00 0.00 C ATOM 146 C SER A 10 -10.136 0.160 5.538 1.00 0.00 C ATOM 147 O SER A 10 -9.415 1.145 5.704 1.00 0.00 O ATOM 148 CB SER A 10 -11.783 -0.774 7.171 1.00 0.00 C ATOM 149 OG SER A 10 -12.265 -2.056 7.536 1.00 0.00 O ATOM 0 H SER A 10 -9.749 0.001 8.478 1.00 0.00 H new ATOM 0 HA SER A 10 -10.163 -1.851 6.259 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.829 -0.106 8.031 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.425 -0.347 6.401 1.00 0.00 H new ATOM 0 HG SER A 10 -11.525 -2.698 7.527 1.00 0.00 H new ATOM 155 N ARG A 11 -10.772 -0.085 4.397 1.00 0.00 N ATOM 156 CA ARG A 11 -10.654 0.811 3.254 1.00 0.00 C ATOM 157 C ARG A 11 -11.174 2.201 3.595 1.00 0.00 C ATOM 158 O ARG A 11 -10.852 3.178 2.923 1.00 0.00 O ATOM 159 CB ARG A 11 -11.412 0.249 2.050 1.00 0.00 C ATOM 160 CG ARG A 11 -11.039 0.915 0.733 1.00 0.00 C ATOM 161 CD ARG A 11 -10.530 -0.096 -0.283 1.00 0.00 C ATOM 162 NE ARG A 11 -11.536 -0.412 -1.294 1.00 0.00 N ATOM 163 CZ ARG A 11 -11.791 0.356 -2.352 1.00 0.00 C ATOM 164 NH1 ARG A 11 -11.124 1.488 -2.537 1.00 0.00 N ATOM 165 NH2 ARG A 11 -12.718 -0.010 -3.228 1.00 0.00 N ATOM 0 H ARG A 11 -11.373 -0.894 4.240 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.597 0.891 2.999 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.217 -0.821 1.975 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.483 0.367 2.217 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.908 1.432 0.328 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.273 1.670 0.911 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.638 0.298 -0.770 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.235 -1.010 0.232 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.075 -1.271 -1.183 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.411 1.775 -1.867 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.325 2.071 -3.349 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.235 -0.879 -3.091 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.914 0.577 -4.038 1.00 0.00 H new ATOM 179 N SER A 12 -11.978 2.282 4.644 1.00 0.00 N ATOM 180 CA SER A 12 -12.545 3.552 5.079 1.00 0.00 C ATOM 181 C SER A 12 -11.486 4.427 5.741 1.00 0.00 C ATOM 182 O SER A 12 -11.408 5.628 5.478 1.00 0.00 O ATOM 183 CB SER A 12 -13.704 3.311 6.049 1.00 0.00 C ATOM 184 OG SER A 12 -14.649 2.409 5.502 1.00 0.00 O ATOM 0 H SER A 12 -12.254 1.481 5.212 1.00 0.00 H new ATOM 0 HA SER A 12 -12.919 4.073 4.198 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.319 2.914 6.988 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.192 4.258 6.279 1.00 0.00 H new ATOM 0 HG SER A 12 -15.378 2.271 6.142 1.00 0.00 H new ATOM 190 N GLU A 13 -10.673 3.823 6.602 1.00 0.00 N ATOM 191 CA GLU A 13 -9.623 4.560 7.298 1.00 0.00 C ATOM 192 C GLU A 13 -8.495 4.937 6.353 1.00 0.00 C ATOM 193 O GLU A 13 -8.052 6.079 6.337 1.00 0.00 O ATOM 194 CB GLU A 13 -9.050 3.742 8.455 1.00 0.00 C ATOM 195 CG GLU A 13 -10.091 2.945 9.227 1.00 0.00 C ATOM 196 CD GLU A 13 -11.276 3.790 9.655 1.00 0.00 C ATOM 197 OE1 GLU A 13 -11.098 5.013 9.840 1.00 0.00 O ATOM 198 OE2 GLU A 13 -12.382 3.229 9.803 1.00 0.00 O ATOM 0 H GLU A 13 -10.720 2.831 6.834 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.080 5.469 7.690 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.299 3.056 8.064 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.539 4.415 9.144 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.443 2.120 8.608 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.626 2.506 10.109 1.00 0.00 H new ATOM 205 N ALA A 14 -8.025 3.972 5.574 1.00 0.00 N ATOM 206 CA ALA A 14 -6.935 4.211 4.639 1.00 0.00 C ATOM 207 C ALA A 14 -7.260 5.367 3.699 1.00 0.00 C ATOM 208 O ALA A 14 -6.376 6.120 3.297 1.00 0.00 O ATOM 209 CB ALA A 14 -6.627 2.944 3.856 1.00 0.00 C ATOM 0 H ALA A 14 -8.382 3.016 5.571 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.049 4.490 5.209 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.810 3.136 3.160 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.337 2.151 4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.512 2.636 3.300 1.00 0.00 H new ATOM 215 N VAL A 15 -8.536 5.513 3.363 1.00 0.00 N ATOM 216 CA VAL A 15 -8.961 6.593 2.480 1.00 0.00 C ATOM 217 C VAL A 15 -8.766 7.949 3.157 1.00 0.00 C ATOM 218 O VAL A 15 -8.208 8.871 2.568 1.00 0.00 O ATOM 219 CB VAL A 15 -10.436 6.439 2.053 1.00 0.00 C ATOM 220 CG1 VAL A 15 -10.923 7.673 1.305 1.00 0.00 C ATOM 221 CG2 VAL A 15 -10.617 5.193 1.199 1.00 0.00 C ATOM 0 H VAL A 15 -9.288 4.904 3.685 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.339 6.539 1.586 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.038 6.333 2.956 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -11.965 7.536 1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.837 8.547 1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.316 7.820 0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.663 5.101 0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.997 5.271 0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.321 4.314 1.771 1.00 0.00 H new ATOM 231 N ARG A 16 -9.221 8.061 4.402 1.00 0.00 N ATOM 232 CA ARG A 16 -9.081 9.308 5.152 1.00 0.00 C ATOM 233 C ARG A 16 -7.708 9.402 5.811 1.00 0.00 C ATOM 234 O ARG A 16 -7.277 10.476 6.231 1.00 0.00 O ATOM 235 CB ARG A 16 -10.178 9.416 6.213 1.00 0.00 C ATOM 236 CG ARG A 16 -11.539 9.794 5.647 1.00 0.00 C ATOM 237 CD ARG A 16 -12.546 8.667 5.811 1.00 0.00 C ATOM 238 NE ARG A 16 -12.681 8.252 7.205 1.00 0.00 N ATOM 239 CZ ARG A 16 -13.318 8.963 8.132 1.00 0.00 C ATOM 240 NH1 ARG A 16 -13.875 10.127 7.820 1.00 0.00 N ATOM 241 NH2 ARG A 16 -13.397 8.510 9.377 1.00 0.00 N ATOM 0 H ARG A 16 -9.687 7.310 4.911 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.181 10.135 4.449 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.263 8.462 6.734 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.883 10.159 6.954 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.907 10.688 6.150 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.438 10.042 4.590 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -13.516 8.990 5.433 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.237 7.814 5.207 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.262 7.365 7.484 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.816 10.481 6.865 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -14.362 10.667 8.535 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.969 7.617 9.623 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.885 9.055 10.088 1.00 0.00 H new ATOM 255 N ARG A 17 -7.030 8.266 5.892 1.00 0.00 N ATOM 256 CA ARG A 17 -5.706 8.193 6.493 1.00 0.00 C ATOM 257 C ARG A 17 -4.650 8.682 5.503 1.00 0.00 C ATOM 258 O ARG A 17 -3.840 9.551 5.826 1.00 0.00 O ATOM 259 CB ARG A 17 -5.416 6.755 6.945 1.00 0.00 C ATOM 260 CG ARG A 17 -4.159 6.614 7.785 1.00 0.00 C ATOM 261 CD ARG A 17 -4.245 5.411 8.713 1.00 0.00 C ATOM 262 NE ARG A 17 -3.865 5.743 10.084 1.00 0.00 N ATOM 263 CZ ARG A 17 -2.608 5.752 10.525 1.00 0.00 C ATOM 264 NH1 ARG A 17 -1.605 5.460 9.707 1.00 0.00 N ATOM 265 NH2 ARG A 17 -2.356 6.056 11.791 1.00 0.00 N ATOM 0 H ARG A 17 -7.380 7.373 5.545 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.672 8.841 7.369 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.267 6.386 7.518 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -5.325 6.119 6.064 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.293 6.511 7.132 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.009 7.519 8.373 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.262 5.020 8.704 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.596 4.619 8.340 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.606 5.982 10.743 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.793 5.226 8.732 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.646 5.469 10.053 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.123 6.282 12.424 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.395 6.064 12.132 1.00 0.00 H new ATOM 279 N LEU A 18 -4.681 8.137 4.289 1.00 0.00 N ATOM 280 CA LEU A 18 -3.744 8.538 3.242 1.00 0.00 C ATOM 281 C LEU A 18 -3.959 9.998 2.874 1.00 0.00 C ATOM 282 O LEU A 18 -3.016 10.740 2.606 1.00 0.00 O ATOM 283 CB LEU A 18 -3.940 7.672 2.001 1.00 0.00 C ATOM 284 CG LEU A 18 -3.193 6.345 2.009 1.00 0.00 C ATOM 285 CD1 LEU A 18 -1.692 6.574 2.068 1.00 0.00 C ATOM 286 CD2 LEU A 18 -3.646 5.482 3.171 1.00 0.00 C ATOM 0 H LEU A 18 -5.345 7.416 4.006 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.730 8.407 3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.005 7.470 1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.625 8.242 1.127 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.423 5.820 1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.177 5.613 2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.377 7.150 1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.443 7.123 2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.100 4.539 3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.450 6.002 4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.714 5.284 3.082 1.00 0.00 H new ATOM 298 N GLN A 19 -5.221 10.384 2.859 1.00 0.00 N ATOM 299 CA GLN A 19 -5.623 11.746 2.515 1.00 0.00 C ATOM 300 C GLN A 19 -5.288 12.742 3.625 1.00 0.00 C ATOM 301 O GLN A 19 -5.173 13.941 3.371 1.00 0.00 O ATOM 302 CB GLN A 19 -7.122 11.794 2.214 1.00 0.00 C ATOM 303 CG GLN A 19 -7.471 12.609 0.981 1.00 0.00 C ATOM 304 CD GLN A 19 -7.825 14.045 1.313 1.00 0.00 C ATOM 305 OE1 GLN A 19 -8.552 14.312 2.269 1.00 0.00 O ATOM 306 NE2 GLN A 19 -7.310 14.979 0.522 1.00 0.00 N ATOM 0 H GLN A 19 -6.001 9.766 3.084 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.060 12.035 1.628 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.490 10.776 2.082 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.643 12.213 3.075 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.627 12.597 0.291 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.310 12.141 0.466 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.712 14.712 -0.260 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.513 15.963 0.696 1.00 0.00 H new ATOM 315 N ALA A 20 -5.136 12.248 4.856 1.00 0.00 N ATOM 316 CA ALA A 20 -4.817 13.112 5.995 1.00 0.00 C ATOM 317 C ALA A 20 -3.716 14.109 5.638 1.00 0.00 C ATOM 318 O ALA A 20 -3.061 13.972 4.606 1.00 0.00 O ATOM 319 CB ALA A 20 -4.400 12.269 7.192 1.00 0.00 C ATOM 0 H ALA A 20 -5.228 11.259 5.089 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.712 13.678 6.254 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.165 12.922 8.033 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.216 11.601 7.468 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.520 11.680 6.933 1.00 0.00 H new ATOM 325 N GLU A 21 -3.512 15.117 6.487 1.00 0.00 N ATOM 326 CA GLU A 21 -2.484 16.120 6.220 1.00 0.00 C ATOM 327 C GLU A 21 -1.125 15.695 6.750 1.00 0.00 C ATOM 328 O GLU A 21 -0.185 16.488 6.817 1.00 0.00 O ATOM 329 CB GLU A 21 -2.884 17.482 6.791 1.00 0.00 C ATOM 330 CG GLU A 21 -3.313 17.428 8.247 1.00 0.00 C ATOM 331 CD GLU A 21 -3.489 18.805 8.855 1.00 0.00 C ATOM 332 OE1 GLU A 21 -4.095 19.674 8.194 1.00 0.00 O ATOM 333 OE2 GLU A 21 -3.020 19.016 9.994 1.00 0.00 O ATOM 0 H GLU A 21 -4.036 15.259 7.351 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.399 16.211 5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.043 18.169 6.694 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.700 17.891 6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.251 16.878 8.325 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.570 16.874 8.820 1.00 0.00 H new ATOM 340 N GLY A 22 -1.033 14.429 7.078 1.00 0.00 N ATOM 341 CA GLY A 22 0.209 13.855 7.557 1.00 0.00 C ATOM 342 C GLY A 22 0.973 13.170 6.440 1.00 0.00 C ATOM 343 O GLY A 22 2.106 12.727 6.628 1.00 0.00 O ATOM 0 H GLY A 22 -1.808 13.769 7.022 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.828 14.638 7.995 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.003 13.136 8.348 1.00 0.00 H new ATOM 347 N ASN A 23 0.327 13.060 5.280 1.00 0.00 N ATOM 348 CA ASN A 23 0.915 12.402 4.122 1.00 0.00 C ATOM 349 C ASN A 23 1.190 13.382 2.995 1.00 0.00 C ATOM 350 O ASN A 23 0.289 14.074 2.521 1.00 0.00 O ATOM 351 CB ASN A 23 -0.029 11.305 3.640 1.00 0.00 C ATOM 352 CG ASN A 23 -0.189 10.203 4.668 1.00 0.00 C ATOM 353 OD1 ASN A 23 0.793 9.699 5.212 1.00 0.00 O ATOM 354 ND2 ASN A 23 -1.432 9.834 4.952 1.00 0.00 N ATOM 0 H ASN A 23 -0.613 13.423 5.120 1.00 0.00 H new ATOM 0 HA ASN A 23 1.871 11.972 4.421 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.004 11.738 3.417 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.352 10.882 2.711 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.602 9.106 5.646 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.217 10.279 4.477 1.00 0.00 H new ATOM 361 N ALA A 24 2.442 13.420 2.557 1.00 0.00 N ATOM 362 CA ALA A 24 2.838 14.299 1.471 1.00 0.00 C ATOM 363 C ALA A 24 3.104 13.492 0.210 1.00 0.00 C ATOM 364 O ALA A 24 4.234 13.416 -0.271 1.00 0.00 O ATOM 365 CB ALA A 24 4.062 15.113 1.860 1.00 0.00 C ATOM 0 H ALA A 24 3.198 12.852 2.939 1.00 0.00 H new ATOM 0 HA ALA A 24 2.022 14.992 1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.343 15.765 1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.833 15.718 2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.889 14.440 2.089 1.00 0.00 H new ATOM 371 N THR A 25 2.042 12.892 -0.310 1.00 0.00 N ATOM 372 CA THR A 25 2.108 12.074 -1.508 1.00 0.00 C ATOM 373 C THR A 25 3.132 10.952 -1.365 1.00 0.00 C ATOM 374 O THR A 25 4.208 11.136 -0.797 1.00 0.00 O ATOM 375 CB THR A 25 2.396 12.945 -2.729 1.00 0.00 C ATOM 376 OG1 THR A 25 3.695 13.506 -2.660 1.00 0.00 O ATOM 377 CG2 THR A 25 1.407 14.082 -2.875 1.00 0.00 C ATOM 0 H THR A 25 1.107 12.961 0.091 1.00 0.00 H new ATOM 0 HA THR A 25 1.137 11.599 -1.650 1.00 0.00 H new ATOM 0 HB THR A 25 2.310 12.284 -3.591 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.166 13.146 -1.880 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.657 14.670 -3.758 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.400 13.677 -2.981 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.451 14.718 -1.991 1.00 0.00 H new ATOM 385 N GLY A 26 2.764 9.773 -1.855 1.00 0.00 N ATOM 386 CA GLY A 26 3.632 8.616 -1.743 1.00 0.00 C ATOM 387 C GLY A 26 3.383 7.873 -0.457 1.00 0.00 C ATOM 388 O GLY A 26 3.673 6.683 -0.362 1.00 0.00 O ATOM 0 H GLY A 26 1.878 9.598 -2.329 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.466 7.950 -2.589 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.674 8.934 -1.787 1.00 0.00 H new ATOM 392 N ALA A 27 2.816 8.570 0.530 1.00 0.00 N ATOM 393 CA ALA A 27 2.498 7.955 1.805 1.00 0.00 C ATOM 394 C ALA A 27 1.757 6.653 1.553 1.00 0.00 C ATOM 395 O ALA A 27 0.759 6.643 0.843 1.00 0.00 O ATOM 396 CB ALA A 27 1.652 8.899 2.643 1.00 0.00 C ATOM 0 H ALA A 27 2.571 9.558 0.464 1.00 0.00 H new ATOM 0 HA ALA A 27 3.416 7.746 2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.419 8.428 3.598 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.203 9.823 2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.726 9.125 2.114 1.00 0.00 H new ATOM 402 N PHE A 28 2.262 5.555 2.087 1.00 0.00 N ATOM 403 CA PHE A 28 1.644 4.266 1.855 1.00 0.00 C ATOM 404 C PHE A 28 1.479 3.496 3.160 1.00 0.00 C ATOM 405 O PHE A 28 2.017 3.877 4.198 1.00 0.00 O ATOM 406 CB PHE A 28 2.492 3.486 0.847 1.00 0.00 C ATOM 407 CG PHE A 28 3.954 3.417 1.200 1.00 0.00 C ATOM 408 CD1 PHE A 28 4.729 4.563 1.298 1.00 0.00 C ATOM 409 CD2 PHE A 28 4.548 2.202 1.455 1.00 0.00 C ATOM 410 CE1 PHE A 28 6.065 4.489 1.640 1.00 0.00 C ATOM 411 CE2 PHE A 28 5.882 2.119 1.804 1.00 0.00 C ATOM 412 CZ PHE A 28 6.642 3.264 1.895 1.00 0.00 C ATOM 0 H PHE A 28 3.092 5.532 2.679 1.00 0.00 H new ATOM 0 HA PHE A 28 0.644 4.409 1.445 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.100 2.472 0.766 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.387 3.948 -0.135 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.282 5.527 1.104 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.961 1.298 1.381 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.657 5.390 1.707 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.329 1.157 2.005 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.686 3.202 2.165 1.00 0.00 H new ATOM 422 N LEU A 29 0.710 2.427 3.087 1.00 0.00 N ATOM 423 CA LEU A 29 0.420 1.578 4.239 1.00 0.00 C ATOM 424 C LEU A 29 0.061 0.179 3.779 1.00 0.00 C ATOM 425 O LEU A 29 -0.563 0.001 2.742 1.00 0.00 O ATOM 426 CB LEU A 29 -0.741 2.150 5.052 1.00 0.00 C ATOM 427 CG LEU A 29 -1.974 2.613 4.254 1.00 0.00 C ATOM 428 CD1 LEU A 29 -2.022 2.042 2.842 1.00 0.00 C ATOM 429 CD2 LEU A 29 -3.234 2.220 4.982 1.00 0.00 C ATOM 0 H LEU A 29 0.264 2.116 2.224 1.00 0.00 H new ATOM 0 HA LEU A 29 1.311 1.541 4.865 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.062 1.393 5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.369 2.997 5.629 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.897 3.697 4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.914 2.406 2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.136 2.358 2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.051 0.953 2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.102 2.551 4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.266 1.136 5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.247 2.688 5.966 1.00 0.00 H new ATOM 441 N ILE A 30 0.438 -0.822 4.541 1.00 0.00 N ATOM 442 CA ILE A 30 0.134 -2.182 4.147 1.00 0.00 C ATOM 443 C ILE A 30 -0.817 -2.848 5.128 1.00 0.00 C ATOM 444 O ILE A 30 -0.462 -3.120 6.271 1.00 0.00 O ATOM 445 CB ILE A 30 1.424 -2.997 4.002 1.00 0.00 C ATOM 446 CG1 ILE A 30 2.457 -2.200 3.180 1.00 0.00 C ATOM 447 CG2 ILE A 30 1.121 -4.333 3.359 1.00 0.00 C ATOM 448 CD1 ILE A 30 2.559 -2.609 1.724 1.00 0.00 C ATOM 0 H ILE A 30 0.946 -0.727 5.420 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.367 -2.146 3.179 1.00 0.00 H new ATOM 0 HB ILE A 30 1.849 -3.186 4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.202 -1.141 3.229 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.436 -2.313 3.645 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.043 -4.906 3.259 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.416 -4.885 3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.686 -4.172 2.373 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.309 -1.995 1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.848 -3.658 1.660 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.594 -2.468 1.238 1.00 0.00 H new ATOM 460 N ARG A 31 -2.039 -3.098 4.669 1.00 0.00 N ATOM 461 CA ARG A 31 -3.055 -3.718 5.506 1.00 0.00 C ATOM 462 C ARG A 31 -3.457 -5.075 4.961 1.00 0.00 C ATOM 463 O ARG A 31 -2.976 -5.499 3.911 1.00 0.00 O ATOM 464 CB ARG A 31 -4.290 -2.822 5.598 1.00 0.00 C ATOM 465 CG ARG A 31 -5.019 -2.654 4.282 1.00 0.00 C ATOM 466 CD ARG A 31 -5.885 -1.403 4.283 1.00 0.00 C ATOM 467 NE ARG A 31 -6.725 -1.308 3.093 1.00 0.00 N ATOM 468 CZ ARG A 31 -6.283 -0.914 1.902 1.00 0.00 C ATOM 469 NH1 ARG A 31 -5.008 -0.588 1.733 1.00 0.00 N ATOM 470 NH2 ARG A 31 -7.119 -0.849 0.876 1.00 0.00 N ATOM 0 H ARG A 31 -2.348 -2.880 3.722 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.629 -3.852 6.500 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.977 -3.240 6.333 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.989 -1.841 5.965 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.296 -2.597 3.468 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.641 -3.529 4.095 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.517 -1.402 5.171 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.246 -0.522 4.345 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.710 -1.559 3.180 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.360 -0.639 2.519 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.676 -0.287 0.817 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.100 -1.101 1.000 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.782 -0.547 -0.038 1.00 0.00 H new ATOM 484 N VAL A 32 -4.350 -5.753 5.671 1.00 0.00 N ATOM 485 CA VAL A 32 -4.805 -7.063 5.238 1.00 0.00 C ATOM 486 C VAL A 32 -5.944 -6.953 4.237 1.00 0.00 C ATOM 487 O VAL A 32 -6.531 -5.886 4.057 1.00 0.00 O ATOM 488 CB VAL A 32 -5.256 -7.930 6.429 1.00 0.00 C ATOM 489 CG1 VAL A 32 -4.088 -8.211 7.361 1.00 0.00 C ATOM 490 CG2 VAL A 32 -6.395 -7.256 7.180 1.00 0.00 C ATOM 0 H VAL A 32 -4.768 -5.420 6.540 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.954 -7.544 4.756 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.618 -8.882 6.042 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.428 -8.825 8.195 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.307 -8.740 6.816 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.691 -7.270 7.741 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.700 -7.883 8.018 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.062 -6.288 7.554 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.240 -7.113 6.507 1.00 0.00 H new ATOM 500 N SER A 33 -6.238 -8.067 3.580 1.00 0.00 N ATOM 501 CA SER A 33 -7.293 -8.117 2.581 1.00 0.00 C ATOM 502 C SER A 33 -8.648 -7.750 3.176 1.00 0.00 C ATOM 503 O SER A 33 -9.443 -8.626 3.517 1.00 0.00 O ATOM 504 CB SER A 33 -7.362 -9.516 1.964 1.00 0.00 C ATOM 505 OG SER A 33 -7.145 -10.516 2.944 1.00 0.00 O ATOM 0 H SER A 33 -5.755 -8.954 3.724 1.00 0.00 H new ATOM 0 HA SER A 33 -7.055 -7.385 1.809 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.336 -9.664 1.498 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.615 -9.607 1.176 1.00 0.00 H new ATOM 0 HG SER A 33 -7.352 -11.396 2.565 1.00 0.00 H new ATOM 511 N GLU A 34 -8.919 -6.452 3.280 1.00 0.00 N ATOM 512 CA GLU A 34 -10.194 -5.985 3.811 1.00 0.00 C ATOM 513 C GLU A 34 -11.334 -6.411 2.890 1.00 0.00 C ATOM 514 O GLU A 34 -12.501 -6.427 3.283 1.00 0.00 O ATOM 515 CB GLU A 34 -10.183 -4.464 3.973 1.00 0.00 C ATOM 516 CG GLU A 34 -9.089 -3.962 4.901 1.00 0.00 C ATOM 517 CD GLU A 34 -9.219 -4.516 6.307 1.00 0.00 C ATOM 518 OE1 GLU A 34 -9.056 -5.741 6.479 1.00 0.00 O ATOM 519 OE2 GLU A 34 -9.485 -3.723 7.235 1.00 0.00 O ATOM 0 H GLU A 34 -8.276 -5.709 3.005 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.347 -6.435 4.792 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.058 -4.003 2.993 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.151 -4.140 4.356 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.117 -4.239 4.494 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.121 -2.873 4.939 1.00 0.00 H new ATOM 526 N LYS A 35 -10.970 -6.772 1.666 1.00 0.00 N ATOM 527 CA LYS A 35 -11.928 -7.224 0.666 1.00 0.00 C ATOM 528 C LYS A 35 -11.469 -8.552 0.058 1.00 0.00 C ATOM 529 O LYS A 35 -12.154 -9.566 0.195 1.00 0.00 O ATOM 530 CB LYS A 35 -12.127 -6.167 -0.432 1.00 0.00 C ATOM 531 CG LYS A 35 -11.893 -4.735 0.036 1.00 0.00 C ATOM 532 CD LYS A 35 -10.574 -4.183 -0.482 1.00 0.00 C ATOM 533 CE LYS A 35 -10.687 -3.730 -1.928 1.00 0.00 C ATOM 534 NZ LYS A 35 -9.641 -2.730 -2.280 1.00 0.00 N ATOM 0 H LYS A 35 -10.004 -6.760 1.339 1.00 0.00 H new ATOM 0 HA LYS A 35 -12.888 -7.375 1.159 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.449 -6.384 -1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.141 -6.250 -0.822 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.712 -4.102 -0.306 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.898 -4.703 1.126 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.261 -3.344 0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.801 -4.947 -0.399 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.600 -4.594 -2.587 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.673 -3.298 -2.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.028 -2.050 -2.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.341 -2.225 -1.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.823 -3.216 -2.699 1.00 0.00 H new ATOM 548 N PRO A 36 -10.295 -8.579 -0.611 1.00 0.00 N ATOM 549 CA PRO A 36 -9.762 -9.806 -1.215 1.00 0.00 C ATOM 550 C PRO A 36 -9.692 -10.954 -0.208 1.00 0.00 C ATOM 551 O PRO A 36 -10.160 -10.827 0.923 1.00 0.00 O ATOM 552 CB PRO A 36 -8.349 -9.410 -1.680 1.00 0.00 C ATOM 553 CG PRO A 36 -8.063 -8.098 -1.033 1.00 0.00 C ATOM 554 CD PRO A 36 -9.392 -7.437 -0.832 1.00 0.00 C ATOM 0 HA PRO A 36 -10.395 -10.167 -2.025 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.615 -10.160 -1.385 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -8.303 -9.329 -2.766 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -7.548 -8.236 -0.082 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.414 -7.487 -1.661 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.381 -6.759 0.021 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.687 -6.850 -1.702 1.00 0.00 H new ATOM 562 N SER A 37 -9.108 -12.076 -0.625 1.00 0.00 N ATOM 563 CA SER A 37 -8.985 -13.243 0.245 1.00 0.00 C ATOM 564 C SER A 37 -7.524 -13.658 0.408 1.00 0.00 C ATOM 565 O SER A 37 -6.785 -13.758 -0.572 1.00 0.00 O ATOM 566 CB SER A 37 -9.797 -14.411 -0.318 1.00 0.00 C ATOM 567 OG SER A 37 -10.326 -15.214 0.725 1.00 0.00 O ATOM 0 H SER A 37 -8.714 -12.201 -1.557 1.00 0.00 H new ATOM 0 HA SER A 37 -9.376 -12.973 1.226 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.610 -14.029 -0.935 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.165 -15.019 -0.965 1.00 0.00 H new ATOM 0 HG SER A 37 -10.842 -15.953 0.340 1.00 0.00 H new ATOM 573 N ALA A 38 -7.114 -13.897 1.654 1.00 0.00 N ATOM 574 CA ALA A 38 -5.741 -14.300 1.953 1.00 0.00 C ATOM 575 C ALA A 38 -4.735 -13.442 1.194 1.00 0.00 C ATOM 576 O ALA A 38 -3.946 -13.949 0.396 1.00 0.00 O ATOM 577 CB ALA A 38 -5.537 -15.772 1.625 1.00 0.00 C ATOM 0 H ALA A 38 -7.716 -13.818 2.474 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.572 -14.150 3.019 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.510 -16.057 1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.222 -16.376 2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.733 -15.939 0.566 1.00 0.00 H new ATOM 583 N ASP A 39 -4.776 -12.139 1.440 1.00 0.00 N ATOM 584 CA ASP A 39 -3.876 -11.209 0.773 1.00 0.00 C ATOM 585 C ASP A 39 -3.677 -9.948 1.611 1.00 0.00 C ATOM 586 O ASP A 39 -4.047 -9.906 2.785 1.00 0.00 O ATOM 587 CB ASP A 39 -4.443 -10.846 -0.604 1.00 0.00 C ATOM 588 CG ASP A 39 -4.217 -11.939 -1.630 1.00 0.00 C ATOM 589 OD1 ASP A 39 -3.180 -12.629 -1.543 1.00 0.00 O ATOM 590 OD2 ASP A 39 -5.077 -12.106 -2.520 1.00 0.00 O ATOM 0 H ASP A 39 -5.423 -11.703 2.097 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.905 -11.689 0.650 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.512 -10.652 -0.514 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.980 -9.923 -0.953 1.00 0.00 H new ATOM 595 N TYR A 40 -3.106 -8.918 0.997 1.00 0.00 N ATOM 596 CA TYR A 40 -2.872 -7.650 1.669 1.00 0.00 C ATOM 597 C TYR A 40 -3.172 -6.542 0.703 1.00 0.00 C ATOM 598 O TYR A 40 -2.974 -6.698 -0.490 1.00 0.00 O ATOM 599 CB TYR A 40 -1.423 -7.547 2.175 1.00 0.00 C ATOM 600 CG TYR A 40 -1.285 -7.867 3.647 1.00 0.00 C ATOM 601 CD1 TYR A 40 -1.536 -9.146 4.121 1.00 0.00 C ATOM 602 CD2 TYR A 40 -0.901 -6.893 4.560 1.00 0.00 C ATOM 603 CE1 TYR A 40 -1.406 -9.448 5.462 1.00 0.00 C ATOM 604 CE2 TYR A 40 -0.771 -7.185 5.904 1.00 0.00 C ATOM 605 CZ TYR A 40 -1.022 -8.466 6.349 1.00 0.00 C ATOM 606 OH TYR A 40 -0.891 -8.763 7.686 1.00 0.00 O ATOM 0 H TYR A 40 -2.795 -8.940 0.026 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.523 -7.575 2.540 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.795 -8.228 1.601 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.051 -6.539 1.992 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.838 -9.919 3.430 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.701 -5.890 4.213 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.604 -10.450 5.814 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.475 -6.415 6.601 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.612 -7.960 8.174 1.00 0.00 H new ATOM 616 N VAL A 41 -3.663 -5.434 1.207 1.00 0.00 N ATOM 617 CA VAL A 41 -3.988 -4.318 0.340 1.00 0.00 C ATOM 618 C VAL A 41 -3.167 -3.107 0.702 1.00 0.00 C ATOM 619 O VAL A 41 -3.021 -2.759 1.871 1.00 0.00 O ATOM 620 CB VAL A 41 -5.480 -3.964 0.377 1.00 0.00 C ATOM 621 CG1 VAL A 41 -6.239 -4.833 -0.611 1.00 0.00 C ATOM 622 CG2 VAL A 41 -6.032 -4.140 1.782 1.00 0.00 C ATOM 0 H VAL A 41 -3.845 -5.279 2.198 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.748 -4.630 -0.676 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.605 -2.919 0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.298 -4.578 -0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.853 -4.663 -1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.111 -5.882 -0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.092 -3.885 1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.906 -5.176 2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.495 -3.485 2.468 1.00 0.00 H new ATOM 632 N LEU A 42 -2.615 -2.482 -0.312 1.00 0.00 N ATOM 633 CA LEU A 42 -1.790 -1.320 -0.113 1.00 0.00 C ATOM 634 C LEU A 42 -2.508 -0.075 -0.577 1.00 0.00 C ATOM 635 O LEU A 42 -3.265 -0.111 -1.536 1.00 0.00 O ATOM 636 CB LEU A 42 -0.493 -1.472 -0.885 1.00 0.00 C ATOM 637 CG LEU A 42 0.484 -0.327 -0.696 1.00 0.00 C ATOM 638 CD1 LEU A 42 0.839 -0.184 0.770 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.724 -0.569 -1.524 1.00 0.00 C ATOM 0 H LEU A 42 -2.725 -2.763 -1.286 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.574 -1.227 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.010 -2.400 -0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.724 -1.565 -1.946 1.00 0.00 H new ATOM 0 HG LEU A 42 0.019 0.601 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.541 0.640 0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.065 0.018 1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.297 -1.107 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.422 0.257 -1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.196 -1.500 -1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.451 -0.639 -2.577 1.00 0.00 H new ATOM 651 N SER A 43 -2.257 1.030 0.089 1.00 0.00 N ATOM 652 CA SER A 43 -2.885 2.282 -0.304 1.00 0.00 C ATOM 653 C SER A 43 -1.950 3.454 -0.141 1.00 0.00 C ATOM 654 O SER A 43 -1.224 3.570 0.843 1.00 0.00 O ATOM 655 CB SER A 43 -4.202 2.508 0.426 1.00 0.00 C ATOM 656 OG SER A 43 -4.150 3.638 1.279 1.00 0.00 O ATOM 0 H SER A 43 -1.633 1.093 0.894 1.00 0.00 H new ATOM 0 HA SER A 43 -3.116 2.202 -1.366 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.002 2.640 -0.302 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.448 1.623 1.012 1.00 0.00 H new ATOM 0 HG SER A 43 -5.007 4.112 1.247 1.00 0.00 H new ATOM 662 N VAL A 44 -1.958 4.310 -1.143 1.00 0.00 N ATOM 663 CA VAL A 44 -1.089 5.474 -1.143 1.00 0.00 C ATOM 664 C VAL A 44 -1.835 6.748 -1.493 1.00 0.00 C ATOM 665 O VAL A 44 -2.621 6.783 -2.440 1.00 0.00 O ATOM 666 CB VAL A 44 0.088 5.277 -2.115 1.00 0.00 C ATOM 667 CG1 VAL A 44 -0.369 5.380 -3.563 1.00 0.00 C ATOM 668 CG2 VAL A 44 1.202 6.268 -1.823 1.00 0.00 C ATOM 0 H VAL A 44 -2.554 4.224 -1.966 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.706 5.580 -0.128 1.00 0.00 H new ATOM 0 HB VAL A 44 0.481 4.272 -1.964 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.485 5.236 -4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.117 4.613 -3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.803 6.364 -3.738 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.023 6.109 -2.523 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.823 7.284 -1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.561 6.122 -0.804 1.00 0.00 H new ATOM 678 N ARG A 45 -1.553 7.809 -0.742 1.00 0.00 N ATOM 679 CA ARG A 45 -2.167 9.099 -0.998 1.00 0.00 C ATOM 680 C ARG A 45 -1.767 9.570 -2.377 1.00 0.00 C ATOM 681 O ARG A 45 -2.369 10.487 -2.935 1.00 0.00 O ATOM 682 CB ARG A 45 -1.725 10.133 0.041 1.00 0.00 C ATOM 683 CG ARG A 45 -2.467 11.458 -0.065 1.00 0.00 C ATOM 684 CD ARG A 45 -1.741 12.565 0.683 1.00 0.00 C ATOM 685 NE ARG A 45 -2.371 13.868 0.480 1.00 0.00 N ATOM 686 CZ ARG A 45 -2.223 14.600 -0.621 1.00 0.00 C ATOM 687 NH1 ARG A 45 -1.471 14.161 -1.624 1.00 0.00 N ATOM 688 NH2 ARG A 45 -2.828 15.776 -0.721 1.00 0.00 N ATOM 0 H ARG A 45 -0.905 7.797 0.045 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.250 8.990 -0.934 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.875 9.721 1.039 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.656 10.315 -0.071 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.572 11.735 -1.114 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.474 11.345 0.337 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.724 12.332 1.748 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.704 12.608 0.350 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.959 14.238 1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.003 13.258 -1.553 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.362 14.727 -2.465 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.406 16.119 0.046 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.715 16.338 -1.565 1.00 0.00 H new ATOM 702 N ASP A 46 -0.732 8.936 -2.919 1.00 0.00 N ATOM 703 CA ASP A 46 -0.238 9.301 -4.239 1.00 0.00 C ATOM 704 C ASP A 46 -0.075 10.817 -4.312 1.00 0.00 C ATOM 705 O ASP A 46 0.009 11.480 -3.281 1.00 0.00 O ATOM 706 CB ASP A 46 -1.211 8.814 -5.316 1.00 0.00 C ATOM 707 CG ASP A 46 -0.543 7.912 -6.333 1.00 0.00 C ATOM 708 OD1 ASP A 46 -0.284 6.737 -6.000 1.00 0.00 O ATOM 709 OD2 ASP A 46 -0.277 8.380 -7.460 1.00 0.00 O ATOM 0 H ASP A 46 -0.224 8.175 -2.469 1.00 0.00 H new ATOM 0 HA ASP A 46 0.729 8.828 -4.412 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.033 8.277 -4.843 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.644 9.674 -5.826 1.00 0.00 H new ATOM 714 N THR A 47 -0.049 11.373 -5.512 1.00 0.00 N ATOM 715 CA THR A 47 0.084 12.816 -5.655 1.00 0.00 C ATOM 716 C THR A 47 -1.225 13.526 -5.301 1.00 0.00 C ATOM 717 O THR A 47 -1.290 14.755 -5.300 1.00 0.00 O ATOM 718 CB THR A 47 0.510 13.178 -7.078 1.00 0.00 C ATOM 719 OG1 THR A 47 0.473 14.581 -7.270 1.00 0.00 O ATOM 720 CG2 THR A 47 -0.363 12.548 -8.142 1.00 0.00 C ATOM 0 H THR A 47 -0.117 10.858 -6.390 1.00 0.00 H new ATOM 0 HA THR A 47 0.855 13.151 -4.961 1.00 0.00 H new ATOM 0 HB THR A 47 1.523 12.790 -7.184 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.019 15.003 -6.511 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.006 12.845 -9.128 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.320 11.463 -8.052 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.393 12.882 -8.013 1.00 0.00 H new ATOM 728 N GLN A 48 -2.265 12.745 -4.996 1.00 0.00 N ATOM 729 CA GLN A 48 -3.571 13.292 -4.635 1.00 0.00 C ATOM 730 C GLN A 48 -4.599 12.171 -4.511 1.00 0.00 C ATOM 731 O GLN A 48 -4.552 11.191 -5.255 1.00 0.00 O ATOM 732 CB GLN A 48 -4.032 14.321 -5.672 1.00 0.00 C ATOM 733 CG GLN A 48 -3.804 15.761 -5.239 1.00 0.00 C ATOM 734 CD GLN A 48 -5.016 16.642 -5.472 1.00 0.00 C ATOM 735 OE1 GLN A 48 -5.385 16.922 -6.612 1.00 0.00 O ATOM 736 NE2 GLN A 48 -5.642 17.084 -4.388 1.00 0.00 N ATOM 0 H GLN A 48 -2.225 11.726 -4.993 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.479 13.792 -3.671 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.503 14.143 -6.609 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.093 14.174 -5.872 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.544 15.781 -4.181 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.953 16.169 -5.784 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.301 16.827 -3.462 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.464 17.681 -4.481 1.00 0.00 H new ATOM 745 N ALA A 49 -5.520 12.313 -3.563 1.00 0.00 N ATOM 746 CA ALA A 49 -6.546 11.299 -3.343 1.00 0.00 C ATOM 747 C ALA A 49 -5.905 9.967 -2.973 1.00 0.00 C ATOM 748 O ALA A 49 -4.718 9.756 -3.219 1.00 0.00 O ATOM 749 CB ALA A 49 -7.416 11.147 -4.583 1.00 0.00 C ATOM 0 H ALA A 49 -5.577 13.116 -2.937 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.179 11.619 -2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.176 10.387 -4.403 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.899 12.098 -4.807 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.796 10.847 -5.428 1.00 0.00 H new ATOM 755 N VAL A 50 -6.684 9.070 -2.375 1.00 0.00 N ATOM 756 CA VAL A 50 -6.158 7.770 -1.978 1.00 0.00 C ATOM 757 C VAL A 50 -6.258 6.751 -3.102 1.00 0.00 C ATOM 758 O VAL A 50 -7.284 6.638 -3.774 1.00 0.00 O ATOM 759 CB VAL A 50 -6.870 7.207 -0.730 1.00 0.00 C ATOM 760 CG1 VAL A 50 -6.301 5.841 -0.357 1.00 0.00 C ATOM 761 CG2 VAL A 50 -6.741 8.177 0.427 1.00 0.00 C ATOM 0 H VAL A 50 -7.670 9.217 -2.157 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.108 7.939 -1.738 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.928 7.081 -0.959 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.816 5.461 0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.443 5.149 -1.187 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.237 5.936 -0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.247 7.769 1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.687 8.331 0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.196 9.130 0.156 1.00 0.00 H new ATOM 771 N ARG A 51 -5.184 5.998 -3.275 1.00 0.00 N ATOM 772 CA ARG A 51 -5.121 4.959 -4.286 1.00 0.00 C ATOM 773 C ARG A 51 -4.818 3.628 -3.617 1.00 0.00 C ATOM 774 O ARG A 51 -3.714 3.414 -3.121 1.00 0.00 O ATOM 775 CB ARG A 51 -4.046 5.292 -5.322 1.00 0.00 C ATOM 776 CG ARG A 51 -4.247 6.641 -5.995 1.00 0.00 C ATOM 777 CD ARG A 51 -3.733 6.635 -7.426 1.00 0.00 C ATOM 778 NE ARG A 51 -4.816 6.775 -8.397 1.00 0.00 N ATOM 779 CZ ARG A 51 -4.627 7.051 -9.685 1.00 0.00 C ATOM 780 NH1 ARG A 51 -3.399 7.213 -10.162 1.00 0.00 N ATOM 781 NH2 ARG A 51 -5.668 7.164 -10.499 1.00 0.00 N ATOM 0 H ARG A 51 -4.334 6.091 -2.719 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.080 4.894 -4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.070 5.279 -4.837 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.034 4.513 -6.084 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.307 6.897 -5.990 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.730 7.413 -5.425 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.020 7.449 -7.558 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.195 5.706 -7.614 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.774 6.654 -8.068 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.595 7.126 -9.541 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.259 7.424 -11.150 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.614 7.039 -10.138 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.523 7.376 -11.486 1.00 0.00 H new ATOM 795 N HIS A 52 -5.810 2.749 -3.573 1.00 0.00 N ATOM 796 CA HIS A 52 -5.641 1.454 -2.930 1.00 0.00 C ATOM 797 C HIS A 52 -5.169 0.403 -3.921 1.00 0.00 C ATOM 798 O HIS A 52 -5.225 0.615 -5.132 1.00 0.00 O ATOM 799 CB HIS A 52 -6.953 1.023 -2.283 1.00 0.00 C ATOM 800 CG HIS A 52 -7.424 2.022 -1.289 1.00 0.00 C ATOM 801 ND1 HIS A 52 -6.944 2.061 -0.006 1.00 0.00 N ATOM 802 CD2 HIS A 52 -8.246 3.087 -1.418 1.00 0.00 C ATOM 803 CE1 HIS A 52 -7.433 3.112 0.612 1.00 0.00 C ATOM 804 NE2 HIS A 52 -8.233 3.755 -0.220 1.00 0.00 N ATOM 0 H HIS A 52 -6.735 2.908 -3.973 1.00 0.00 H new ATOM 0 HA HIS A 52 -4.875 1.551 -2.160 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -7.713 0.888 -3.053 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.819 0.058 -1.795 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -6.306 1.380 0.405 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -8.808 3.361 -2.299 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.217 3.402 1.630 1.00 0.00 H new ATOM 813 N TYR A 53 -4.683 -0.723 -3.408 1.00 0.00 N ATOM 814 CA TYR A 53 -4.182 -1.780 -4.271 1.00 0.00 C ATOM 815 C TYR A 53 -4.242 -3.144 -3.598 1.00 0.00 C ATOM 816 O TYR A 53 -3.859 -3.295 -2.438 1.00 0.00 O ATOM 817 CB TYR A 53 -2.737 -1.477 -4.670 1.00 0.00 C ATOM 818 CG TYR A 53 -2.483 -0.022 -4.992 1.00 0.00 C ATOM 819 CD1 TYR A 53 -2.744 0.475 -6.260 1.00 0.00 C ATOM 820 CD2 TYR A 53 -1.972 0.851 -4.037 1.00 0.00 C ATOM 821 CE1 TYR A 53 -2.504 1.796 -6.574 1.00 0.00 C ATOM 822 CE2 TYR A 53 -1.733 2.177 -4.344 1.00 0.00 C ATOM 823 CZ TYR A 53 -1.998 2.643 -5.614 1.00 0.00 C ATOM 824 OH TYR A 53 -1.752 3.960 -5.925 1.00 0.00 O ATOM 0 H TYR A 53 -4.627 -0.923 -2.409 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.821 -1.813 -5.154 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.075 -1.780 -3.859 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.476 -2.082 -5.538 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.143 -0.185 -7.016 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.759 0.488 -3.042 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.712 2.164 -7.568 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.340 2.845 -3.592 1.00 0.00 H new ATOM 0 HH TYR A 53 -0.789 4.133 -5.876 1.00 0.00 H new ATOM 834 N LYS A 54 -4.701 -4.138 -4.347 1.00 0.00 N ATOM 835 CA LYS A 54 -4.785 -5.499 -3.848 1.00 0.00 C ATOM 836 C LYS A 54 -3.445 -6.199 -4.023 1.00 0.00 C ATOM 837 O LYS A 54 -3.014 -6.461 -5.145 1.00 0.00 O ATOM 838 CB LYS A 54 -5.871 -6.279 -4.592 1.00 0.00 C ATOM 839 CG LYS A 54 -6.309 -7.546 -3.875 1.00 0.00 C ATOM 840 CD LYS A 54 -5.891 -8.794 -4.637 1.00 0.00 C ATOM 841 CE LYS A 54 -6.587 -8.882 -5.987 1.00 0.00 C ATOM 842 NZ LYS A 54 -7.542 -10.023 -6.045 1.00 0.00 N ATOM 0 H LYS A 54 -5.022 -4.023 -5.308 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.041 -5.463 -2.789 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.738 -5.634 -4.734 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.503 -6.541 -5.584 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.875 -7.567 -2.875 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.392 -7.539 -3.753 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.811 -8.788 -4.783 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.128 -9.679 -4.046 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.120 -7.952 -6.182 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.841 -8.993 -6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.422 -9.716 -6.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.119 -10.802 -6.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.753 -10.348 -5.080 1.00 0.00 H new ATOM 856 N ILE A 55 -2.800 -6.513 -2.910 1.00 0.00 N ATOM 857 CA ILE A 55 -1.520 -7.197 -2.932 1.00 0.00 C ATOM 858 C ILE A 55 -1.780 -8.697 -2.884 1.00 0.00 C ATOM 859 O ILE A 55 -2.073 -9.252 -1.826 1.00 0.00 O ATOM 860 CB ILE A 55 -0.628 -6.772 -1.741 1.00 0.00 C ATOM 861 CG1 ILE A 55 -0.859 -5.302 -1.349 1.00 0.00 C ATOM 862 CG2 ILE A 55 0.840 -6.994 -2.052 1.00 0.00 C ATOM 863 CD1 ILE A 55 -0.533 -5.017 0.099 1.00 0.00 C ATOM 0 H ILE A 55 -3.147 -6.302 -1.974 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.988 -6.930 -3.845 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.911 -7.399 -0.896 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.248 -4.662 -1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.900 -5.041 -1.539 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.443 -6.687 -1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.013 -8.050 -2.257 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.120 -6.404 -2.925 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.717 -3.964 0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.162 -5.633 0.742 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.515 -5.248 0.288 1.00 0.00 H new ATOM 875 N TRP A 56 -1.722 -9.336 -4.045 1.00 0.00 N ATOM 876 CA TRP A 56 -2.008 -10.761 -4.154 1.00 0.00 C ATOM 877 C TRP A 56 -0.790 -11.618 -3.832 1.00 0.00 C ATOM 878 O TRP A 56 0.286 -11.439 -4.404 1.00 0.00 O ATOM 879 CB TRP A 56 -2.520 -11.074 -5.561 1.00 0.00 C ATOM 880 CG TRP A 56 -3.446 -12.252 -5.624 1.00 0.00 C ATOM 881 CD1 TRP A 56 -3.416 -13.367 -4.836 1.00 0.00 C ATOM 882 CD2 TRP A 56 -4.539 -12.431 -6.532 1.00 0.00 C ATOM 883 NE1 TRP A 56 -4.425 -14.227 -5.199 1.00 0.00 N ATOM 884 CE2 TRP A 56 -5.128 -13.675 -6.238 1.00 0.00 C ATOM 885 CE3 TRP A 56 -5.078 -11.659 -7.566 1.00 0.00 C ATOM 886 CZ2 TRP A 56 -6.229 -14.163 -6.939 1.00 0.00 C ATOM 887 CZ3 TRP A 56 -6.170 -12.144 -8.261 1.00 0.00 C ATOM 888 CH2 TRP A 56 -6.735 -13.386 -7.945 1.00 0.00 C ATOM 0 H TRP A 56 -1.478 -8.888 -4.928 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.775 -11.005 -3.419 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.036 -10.197 -5.952 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.667 -11.260 -6.214 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -2.704 -13.547 -4.044 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -4.619 -15.130 -4.765 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.648 -10.700 -7.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.667 -15.120 -6.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -6.595 -11.556 -9.061 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -7.588 -13.738 -8.507 1.00 0.00 H new ATOM 899 N ARG A 57 -0.983 -12.558 -2.911 1.00 0.00 N ATOM 900 CA ARG A 57 0.075 -13.466 -2.495 1.00 0.00 C ATOM 901 C ARG A 57 0.153 -14.667 -3.437 1.00 0.00 C ATOM 902 O ARG A 57 -0.861 -15.298 -3.736 1.00 0.00 O ATOM 903 CB ARG A 57 -0.176 -13.940 -1.062 1.00 0.00 C ATOM 904 CG ARG A 57 1.043 -14.561 -0.400 1.00 0.00 C ATOM 905 CD ARG A 57 0.881 -14.628 1.110 1.00 0.00 C ATOM 906 NE ARG A 57 2.171 -14.688 1.795 1.00 0.00 N ATOM 907 CZ ARG A 57 2.359 -14.327 3.062 1.00 0.00 C ATOM 908 NH1 ARG A 57 1.342 -13.882 3.791 1.00 0.00 N ATOM 909 NH2 ARG A 57 3.566 -14.412 3.603 1.00 0.00 N ATOM 0 H ARG A 57 -1.873 -12.709 -2.436 1.00 0.00 H new ATOM 0 HA ARG A 57 1.025 -12.933 -2.534 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.512 -13.094 -0.463 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.986 -14.669 -1.067 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.202 -15.564 -0.795 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.930 -13.977 -0.647 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.327 -13.755 1.455 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.289 -15.505 1.373 1.00 0.00 H new ATOM 0 HE ARG A 57 2.977 -15.027 1.269 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.411 -13.815 3.380 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.492 -13.607 4.762 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.351 -14.754 3.048 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.710 -14.135 4.574 1.00 0.00 H new ATOM 923 N ARG A 58 1.359 -14.972 -3.902 1.00 0.00 N ATOM 924 CA ARG A 58 1.566 -16.091 -4.813 1.00 0.00 C ATOM 925 C ARG A 58 1.177 -17.412 -4.159 1.00 0.00 C ATOM 926 O ARG A 58 0.024 -17.836 -4.226 1.00 0.00 O ATOM 927 CB ARG A 58 3.024 -16.127 -5.285 1.00 0.00 C ATOM 928 CG ARG A 58 3.253 -15.407 -6.606 1.00 0.00 C ATOM 929 CD ARG A 58 4.197 -16.182 -7.514 1.00 0.00 C ATOM 930 NE ARG A 58 5.476 -15.499 -7.684 1.00 0.00 N ATOM 931 CZ ARG A 58 6.298 -15.701 -8.712 1.00 0.00 C ATOM 932 NH1 ARG A 58 5.980 -16.569 -9.666 1.00 0.00 N ATOM 933 NH2 ARG A 58 7.442 -15.036 -8.786 1.00 0.00 N ATOM 0 H ARG A 58 2.208 -14.460 -3.663 1.00 0.00 H new ATOM 0 HA ARG A 58 0.922 -15.949 -5.681 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.656 -15.676 -4.520 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.339 -17.166 -5.387 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.298 -15.263 -7.112 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.665 -14.416 -6.414 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.369 -17.174 -7.096 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.729 -16.323 -8.488 1.00 0.00 H new ATOM 0 HE ARG A 58 5.757 -14.826 -6.971 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.102 -17.085 -9.614 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.614 -16.719 -10.451 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.693 -14.370 -8.056 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.072 -15.191 -9.573 1.00 0.00 H new ATOM 947 N ALA A 59 2.145 -18.054 -3.529 1.00 0.00 N ATOM 948 CA ALA A 59 1.913 -19.328 -2.859 1.00 0.00 C ATOM 949 C ALA A 59 2.350 -19.268 -1.399 1.00 0.00 C ATOM 950 O ALA A 59 2.789 -20.267 -0.831 1.00 0.00 O ATOM 951 CB ALA A 59 2.645 -20.447 -3.585 1.00 0.00 C ATOM 0 H ALA A 59 3.105 -17.714 -3.466 1.00 0.00 H new ATOM 0 HA ALA A 59 0.843 -19.533 -2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.463 -21.392 -3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.282 -20.513 -4.611 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.715 -20.238 -3.591 1.00 0.00 H new ATOM 957 N GLY A 60 2.226 -18.089 -0.799 1.00 0.00 N ATOM 958 CA GLY A 60 2.612 -17.919 0.588 1.00 0.00 C ATOM 959 C GLY A 60 4.039 -17.432 0.736 1.00 0.00 C ATOM 960 O GLY A 60 4.691 -17.694 1.748 1.00 0.00 O ATOM 0 H GLY A 60 1.865 -17.248 -1.249 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.937 -17.208 1.065 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.499 -18.868 1.113 1.00 0.00 H new ATOM 964 N GLY A 61 4.526 -16.720 -0.275 1.00 0.00 N ATOM 965 CA GLY A 61 5.883 -16.206 -0.234 1.00 0.00 C ATOM 966 C GLY A 61 6.191 -15.285 -1.398 1.00 0.00 C ATOM 967 O GLY A 61 7.287 -15.328 -1.957 1.00 0.00 O ATOM 0 H GLY A 61 4.006 -16.490 -1.122 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.036 -15.668 0.701 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.584 -17.040 -0.240 1.00 0.00 H new ATOM 971 N ARG A 62 5.225 -14.449 -1.764 1.00 0.00 N ATOM 972 CA ARG A 62 5.400 -13.510 -2.869 1.00 0.00 C ATOM 973 C ARG A 62 4.149 -12.661 -3.069 1.00 0.00 C ATOM 974 O ARG A 62 3.046 -13.185 -3.194 1.00 0.00 O ATOM 975 CB ARG A 62 5.738 -14.257 -4.162 1.00 0.00 C ATOM 976 CG ARG A 62 6.939 -13.684 -4.897 1.00 0.00 C ATOM 977 CD ARG A 62 8.123 -14.638 -4.869 1.00 0.00 C ATOM 978 NE ARG A 62 7.740 -16.001 -5.229 1.00 0.00 N ATOM 979 CZ ARG A 62 8.487 -17.073 -4.974 1.00 0.00 C ATOM 980 NH1 ARG A 62 9.656 -16.943 -4.357 1.00 0.00 N ATOM 981 NH2 ARG A 62 8.066 -18.277 -5.335 1.00 0.00 N ATOM 0 H ARG A 62 4.312 -14.402 -1.312 1.00 0.00 H new ATOM 0 HA ARG A 62 6.229 -12.849 -2.617 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.931 -15.304 -3.928 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.872 -14.233 -4.823 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.666 -13.473 -5.931 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.225 -12.735 -4.443 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.890 -14.284 -5.558 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.565 -14.637 -3.873 1.00 0.00 H new ATOM 0 HE ARG A 62 6.848 -16.139 -5.704 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.985 -16.019 -4.077 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.225 -17.767 -4.164 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.169 -18.383 -5.809 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.639 -19.098 -5.139 1.00 0.00 H new ATOM 995 N LEU A 63 4.335 -11.348 -3.102 1.00 0.00 N ATOM 996 CA LEU A 63 3.227 -10.418 -3.291 1.00 0.00 C ATOM 997 C LEU A 63 3.317 -9.744 -4.647 1.00 0.00 C ATOM 998 O LEU A 63 4.407 -9.501 -5.159 1.00 0.00 O ATOM 999 CB LEU A 63 3.226 -9.354 -2.195 1.00 0.00 C ATOM 1000 CG LEU A 63 2.733 -9.837 -0.835 1.00 0.00 C ATOM 1001 CD1 LEU A 63 1.245 -10.144 -0.892 1.00 0.00 C ATOM 1002 CD2 LEU A 63 3.519 -11.061 -0.392 1.00 0.00 C ATOM 0 H LEU A 63 5.246 -10.901 -3.000 1.00 0.00 H new ATOM 0 HA LEU A 63 2.300 -10.989 -3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.239 -8.968 -2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.601 -8.521 -2.517 1.00 0.00 H new ATOM 0 HG LEU A 63 2.892 -9.045 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.907 -10.488 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.698 -9.243 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.062 -10.922 -1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.156 -11.394 0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.389 -11.860 -1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.576 -10.807 -0.317 1.00 0.00 H new ATOM 1014 N HIS A 64 2.165 -9.434 -5.222 1.00 0.00 N ATOM 1015 CA HIS A 64 2.123 -8.779 -6.516 1.00 0.00 C ATOM 1016 C HIS A 64 0.824 -8.004 -6.688 1.00 0.00 C ATOM 1017 O HIS A 64 -0.218 -8.580 -7.003 1.00 0.00 O ATOM 1018 CB HIS A 64 2.285 -9.805 -7.642 1.00 0.00 C ATOM 1019 CG HIS A 64 1.161 -10.791 -7.736 1.00 0.00 C ATOM 1020 ND1 HIS A 64 0.099 -10.640 -8.601 1.00 0.00 N ATOM 1021 CD2 HIS A 64 0.944 -11.953 -7.075 1.00 0.00 C ATOM 1022 CE1 HIS A 64 -0.724 -11.665 -8.470 1.00 0.00 C ATOM 1023 NE2 HIS A 64 -0.233 -12.476 -7.550 1.00 0.00 N ATOM 0 H HIS A 64 1.251 -9.626 -4.813 1.00 0.00 H new ATOM 0 HA HIS A 64 2.952 -8.073 -6.567 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.371 -9.276 -8.591 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.219 -10.347 -7.493 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -0.031 -9.858 -9.243 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.578 -12.387 -6.316 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.641 -11.814 -9.021 1.00 0.00 H new ATOM 1032 N LEU A 65 0.885 -6.689 -6.487 1.00 0.00 N ATOM 1033 CA LEU A 65 -0.297 -5.851 -6.637 1.00 0.00 C ATOM 1034 C LEU A 65 -0.912 -6.074 -8.013 1.00 0.00 C ATOM 1035 O LEU A 65 -2.124 -5.977 -8.202 1.00 0.00 O ATOM 1036 CB LEU A 65 0.058 -4.371 -6.464 1.00 0.00 C ATOM 1037 CG LEU A 65 0.194 -3.897 -5.018 1.00 0.00 C ATOM 1038 CD1 LEU A 65 1.073 -4.853 -4.236 1.00 0.00 C ATOM 1039 CD2 LEU A 65 0.765 -2.485 -4.970 1.00 0.00 C ATOM 0 H LEU A 65 1.733 -6.187 -6.223 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.016 -6.126 -5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.997 -4.177 -6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.708 -3.771 -6.955 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.796 -3.881 -4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.163 -4.505 -3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.627 -5.848 -4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.062 -4.894 -4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.855 -2.164 -3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.749 -2.474 -5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.101 -1.806 -5.504 1.00 0.00 H new ATOM 1051 N ASN A 66 -0.042 -6.386 -8.961 1.00 0.00 N ATOM 1052 CA ASN A 66 -0.437 -6.646 -10.337 1.00 0.00 C ATOM 1053 C ASN A 66 0.351 -7.824 -10.900 1.00 0.00 C ATOM 1054 O ASN A 66 1.208 -8.388 -10.220 1.00 0.00 O ATOM 1055 CB ASN A 66 -0.213 -5.405 -11.201 1.00 0.00 C ATOM 1056 CG ASN A 66 -1.372 -4.430 -11.123 1.00 0.00 C ATOM 1057 OD1 ASN A 66 -2.175 -4.476 -10.191 1.00 0.00 O ATOM 1058 ND2 ASN A 66 -1.463 -3.539 -12.103 1.00 0.00 N ATOM 0 H ASN A 66 0.962 -6.466 -8.797 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.498 -6.894 -10.350 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.702 -4.904 -10.883 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.066 -5.709 -12.237 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.221 -2.856 -12.103 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.775 -3.537 -12.856 1.00 0.00 H new ATOM 1065 N GLU A 67 0.061 -8.192 -12.142 1.00 0.00 N ATOM 1066 CA GLU A 67 0.746 -9.309 -12.784 1.00 0.00 C ATOM 1067 C GLU A 67 2.113 -8.897 -13.329 1.00 0.00 C ATOM 1068 O GLU A 67 2.617 -9.505 -14.275 1.00 0.00 O ATOM 1069 CB GLU A 67 -0.115 -9.873 -13.918 1.00 0.00 C ATOM 1070 CG GLU A 67 -1.199 -10.825 -13.442 1.00 0.00 C ATOM 1071 CD GLU A 67 -0.635 -12.091 -12.827 1.00 0.00 C ATOM 1072 OE1 GLU A 67 0.442 -12.539 -13.274 1.00 0.00 O ATOM 1073 OE2 GLU A 67 -1.271 -12.636 -11.900 1.00 0.00 O ATOM 0 H GLU A 67 -0.641 -7.735 -12.724 1.00 0.00 H new ATOM 0 HA GLU A 67 0.904 -10.077 -12.027 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.579 -9.047 -14.456 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.528 -10.394 -14.627 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.826 -10.318 -12.709 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.841 -11.089 -14.283 1.00 0.00 H new ATOM 1080 N ALA A 68 2.714 -7.868 -12.736 1.00 0.00 N ATOM 1081 CA ALA A 68 4.020 -7.396 -13.180 1.00 0.00 C ATOM 1082 C ALA A 68 4.862 -6.857 -12.023 1.00 0.00 C ATOM 1083 O ALA A 68 5.932 -6.291 -12.248 1.00 0.00 O ATOM 1084 CB ALA A 68 3.853 -6.329 -14.251 1.00 0.00 C ATOM 0 H ALA A 68 2.319 -7.349 -11.952 1.00 0.00 H new ATOM 0 HA ALA A 68 4.552 -8.250 -13.598 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.834 -5.983 -14.576 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.316 -6.748 -15.102 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.289 -5.490 -13.844 1.00 0.00 H new ATOM 1090 N VAL A 69 4.389 -7.023 -10.787 1.00 0.00 N ATOM 1091 CA VAL A 69 5.133 -6.533 -9.629 1.00 0.00 C ATOM 1092 C VAL A 69 5.184 -7.570 -8.506 1.00 0.00 C ATOM 1093 O VAL A 69 4.676 -7.338 -7.411 1.00 0.00 O ATOM 1094 CB VAL A 69 4.521 -5.226 -9.085 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.528 -4.149 -10.159 1.00 0.00 C ATOM 1096 CG2 VAL A 69 3.108 -5.464 -8.571 1.00 0.00 C ATOM 0 H VAL A 69 3.508 -7.486 -10.565 1.00 0.00 H new ATOM 0 HA VAL A 69 6.149 -6.340 -9.972 1.00 0.00 H new ATOM 0 HB VAL A 69 5.131 -4.883 -8.249 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.093 -3.233 -9.759 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.553 -3.956 -10.474 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.943 -4.485 -11.015 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.696 -4.529 -8.192 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.482 -5.833 -9.384 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.132 -6.201 -7.768 1.00 0.00 H new ATOM 1106 N SER A 70 5.800 -8.715 -8.783 1.00 0.00 N ATOM 1107 CA SER A 70 5.906 -9.783 -7.792 1.00 0.00 C ATOM 1108 C SER A 70 7.108 -9.583 -6.868 1.00 0.00 C ATOM 1109 O SER A 70 8.199 -9.227 -7.316 1.00 0.00 O ATOM 1110 CB SER A 70 6.009 -11.141 -8.489 1.00 0.00 C ATOM 1111 OG SER A 70 6.906 -11.085 -9.585 1.00 0.00 O ATOM 0 H SER A 70 6.232 -8.928 -9.682 1.00 0.00 H new ATOM 0 HA SER A 70 5.004 -9.753 -7.180 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.346 -11.894 -7.777 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.023 -11.450 -8.837 1.00 0.00 H new ATOM 0 HG SER A 70 6.956 -11.965 -10.012 1.00 0.00 H new ATOM 1117 N PHE A 71 6.896 -9.822 -5.574 1.00 0.00 N ATOM 1118 CA PHE A 71 7.952 -9.682 -4.573 1.00 0.00 C ATOM 1119 C PHE A 71 7.667 -10.550 -3.354 1.00 0.00 C ATOM 1120 O PHE A 71 6.638 -10.405 -2.700 1.00 0.00 O ATOM 1121 CB PHE A 71 8.109 -8.219 -4.157 1.00 0.00 C ATOM 1122 CG PHE A 71 9.484 -7.673 -4.420 1.00 0.00 C ATOM 1123 CD1 PHE A 71 10.582 -8.166 -3.736 1.00 0.00 C ATOM 1124 CD2 PHE A 71 9.676 -6.668 -5.352 1.00 0.00 C ATOM 1125 CE1 PHE A 71 11.848 -7.667 -3.978 1.00 0.00 C ATOM 1126 CE2 PHE A 71 10.940 -6.165 -5.599 1.00 0.00 C ATOM 1127 CZ PHE A 71 12.027 -6.665 -4.909 1.00 0.00 C ATOM 0 H PHE A 71 5.996 -10.115 -5.193 1.00 0.00 H new ATOM 0 HA PHE A 71 8.886 -10.019 -5.022 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.377 -7.615 -4.693 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.884 -8.124 -3.095 1.00 0.00 H new ATOM 0 HD1 PHE A 71 10.448 -8.950 -3.005 1.00 0.00 H new ATOM 0 HD2 PHE A 71 8.829 -6.272 -5.892 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.696 -8.061 -3.439 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.077 -5.382 -6.330 1.00 0.00 H new ATOM 0 HZ PHE A 71 13.015 -6.272 -5.098 1.00 0.00 H new ATOM 1137 N LEU A 72 8.608 -11.449 -3.072 1.00 0.00 N ATOM 1138 CA LEU A 72 8.538 -12.383 -1.941 1.00 0.00 C ATOM 1139 C LEU A 72 7.612 -11.909 -0.816 1.00 0.00 C ATOM 1140 O LEU A 72 6.859 -12.703 -0.249 1.00 0.00 O ATOM 1141 CB LEU A 72 9.943 -12.572 -1.382 1.00 0.00 C ATOM 1142 CG LEU A 72 10.735 -11.272 -1.242 1.00 0.00 C ATOM 1143 CD1 LEU A 72 10.450 -10.616 0.102 1.00 0.00 C ATOM 1144 CD2 LEU A 72 12.223 -11.531 -1.410 1.00 0.00 C ATOM 0 H LEU A 72 9.456 -11.554 -3.630 1.00 0.00 H new ATOM 0 HA LEU A 72 8.122 -13.318 -2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.873 -13.050 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.493 -13.253 -2.032 1.00 0.00 H new ATOM 0 HG LEU A 72 10.418 -10.589 -2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.022 -9.692 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.386 -10.392 0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.737 -11.294 0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.769 -10.593 -1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.559 -12.233 -0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.410 -11.953 -2.397 1.00 0.00 H new ATOM 1156 N SER A 73 7.681 -10.624 -0.488 1.00 0.00 N ATOM 1157 CA SER A 73 6.860 -10.063 0.577 1.00 0.00 C ATOM 1158 C SER A 73 6.500 -8.614 0.281 1.00 0.00 C ATOM 1159 O SER A 73 6.883 -8.066 -0.754 1.00 0.00 O ATOM 1160 CB SER A 73 7.596 -10.154 1.915 1.00 0.00 C ATOM 1161 OG SER A 73 6.700 -9.999 3.002 1.00 0.00 O ATOM 0 H SER A 73 8.297 -9.951 -0.945 1.00 0.00 H new ATOM 0 HA SER A 73 5.938 -10.642 0.635 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.101 -11.117 1.991 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.367 -9.385 1.963 1.00 0.00 H new ATOM 0 HG SER A 73 7.195 -10.063 3.845 1.00 0.00 H new ATOM 1167 N LEU A 74 5.755 -7.999 1.192 1.00 0.00 N ATOM 1168 CA LEU A 74 5.339 -6.617 1.021 1.00 0.00 C ATOM 1169 C LEU A 74 6.494 -5.640 1.188 1.00 0.00 C ATOM 1170 O LEU A 74 6.758 -4.838 0.295 1.00 0.00 O ATOM 1171 CB LEU A 74 4.222 -6.269 1.970 1.00 0.00 C ATOM 1172 CG LEU A 74 2.864 -6.603 1.388 1.00 0.00 C ATOM 1173 CD1 LEU A 74 1.877 -6.964 2.477 1.00 0.00 C ATOM 1174 CD2 LEU A 74 2.387 -5.443 0.531 1.00 0.00 C ATOM 0 H LEU A 74 5.429 -8.436 2.054 1.00 0.00 H new ATOM 0 HA LEU A 74 4.976 -6.524 -0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.359 -6.810 2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.264 -5.206 2.207 1.00 0.00 H new ATOM 0 HG LEU A 74 2.946 -7.483 0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.911 -7.199 2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.243 -7.831 3.027 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.765 -6.122 3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.410 -5.679 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.310 -4.545 1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.098 -5.271 -0.277 1.00 0.00 H new ATOM 1186 N PRO A 75 7.213 -5.684 2.330 1.00 0.00 N ATOM 1187 CA PRO A 75 8.344 -4.791 2.567 1.00 0.00 C ATOM 1188 C PRO A 75 9.225 -4.704 1.332 1.00 0.00 C ATOM 1189 O PRO A 75 9.677 -3.626 0.941 1.00 0.00 O ATOM 1190 CB PRO A 75 9.100 -5.442 3.737 1.00 0.00 C ATOM 1191 CG PRO A 75 8.390 -6.729 4.028 1.00 0.00 C ATOM 1192 CD PRO A 75 7.005 -6.593 3.461 1.00 0.00 C ATOM 0 HA PRO A 75 8.034 -3.770 2.791 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.142 -5.623 3.475 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.100 -4.791 4.611 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.913 -7.571 3.575 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.353 -6.917 5.101 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.602 -7.554 3.141 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.307 -6.181 4.190 1.00 0.00 H new ATOM 1200 N GLU A 76 9.428 -5.851 0.695 1.00 0.00 N ATOM 1201 CA GLU A 76 10.215 -5.910 -0.520 1.00 0.00 C ATOM 1202 C GLU A 76 9.355 -5.494 -1.704 1.00 0.00 C ATOM 1203 O GLU A 76 9.840 -4.863 -2.646 1.00 0.00 O ATOM 1204 CB GLU A 76 10.784 -7.312 -0.733 1.00 0.00 C ATOM 1205 CG GLU A 76 11.547 -7.851 0.468 1.00 0.00 C ATOM 1206 CD GLU A 76 12.533 -6.848 1.037 1.00 0.00 C ATOM 1207 OE1 GLU A 76 13.629 -6.699 0.458 1.00 0.00 O ATOM 1208 OE2 GLU A 76 12.209 -6.213 2.063 1.00 0.00 O ATOM 0 H GLU A 76 9.057 -6.750 1.003 1.00 0.00 H new ATOM 0 HA GLU A 76 11.055 -5.221 -0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.967 -7.994 -0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.448 -7.298 -1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.838 -8.137 1.245 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.082 -8.755 0.177 1.00 0.00 H new ATOM 1215 N LEU A 77 8.059 -5.818 -1.645 1.00 0.00 N ATOM 1216 CA LEU A 77 7.154 -5.433 -2.714 1.00 0.00 C ATOM 1217 C LEU A 77 7.154 -3.920 -2.847 1.00 0.00 C ATOM 1218 O LEU A 77 7.410 -3.374 -3.920 1.00 0.00 O ATOM 1219 CB LEU A 77 5.742 -5.926 -2.426 1.00 0.00 C ATOM 1220 CG LEU A 77 4.658 -5.290 -3.296 1.00 0.00 C ATOM 1221 CD1 LEU A 77 3.743 -6.356 -3.870 1.00 0.00 C ATOM 1222 CD2 LEU A 77 3.868 -4.261 -2.496 1.00 0.00 C ATOM 0 H LEU A 77 7.626 -6.336 -0.880 1.00 0.00 H new ATOM 0 HA LEU A 77 7.492 -5.886 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.713 -7.007 -2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.510 -5.732 -1.379 1.00 0.00 H new ATOM 0 HG LEU A 77 5.137 -4.774 -4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.977 -5.885 -4.487 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.326 -7.046 -4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.267 -6.904 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.100 -3.818 -3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.397 -4.748 -1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.541 -3.480 -2.142 1.00 0.00 H new ATOM 1234 N VAL A 78 6.884 -3.248 -1.731 1.00 0.00 N ATOM 1235 CA VAL A 78 6.873 -1.797 -1.702 1.00 0.00 C ATOM 1236 C VAL A 78 8.164 -1.267 -2.309 1.00 0.00 C ATOM 1237 O VAL A 78 8.155 -0.296 -3.063 1.00 0.00 O ATOM 1238 CB VAL A 78 6.717 -1.268 -0.262 1.00 0.00 C ATOM 1239 CG1 VAL A 78 6.836 0.249 -0.223 1.00 0.00 C ATOM 1240 CG2 VAL A 78 5.385 -1.717 0.326 1.00 0.00 C ATOM 0 H VAL A 78 6.670 -3.690 -0.837 1.00 0.00 H new ATOM 0 HA VAL A 78 6.020 -1.448 -2.284 1.00 0.00 H new ATOM 0 HB VAL A 78 7.522 -1.684 0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.722 0.597 0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.814 0.547 -0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.057 0.691 -0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.289 -1.336 1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.569 -1.331 -0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.343 -2.806 0.341 1.00 0.00 H new ATOM 1250 N ASN A 79 9.273 -1.933 -1.993 1.00 0.00 N ATOM 1251 CA ASN A 79 10.568 -1.543 -2.530 1.00 0.00 C ATOM 1252 C ASN A 79 10.490 -1.441 -4.050 1.00 0.00 C ATOM 1253 O ASN A 79 11.170 -0.619 -4.665 1.00 0.00 O ATOM 1254 CB ASN A 79 11.645 -2.551 -2.121 1.00 0.00 C ATOM 1255 CG ASN A 79 12.670 -1.953 -1.178 1.00 0.00 C ATOM 1256 OD1 ASN A 79 12.324 -1.420 -0.124 1.00 0.00 O ATOM 1257 ND2 ASN A 79 13.940 -2.038 -1.554 1.00 0.00 N ATOM 0 H ASN A 79 9.298 -2.741 -1.371 1.00 0.00 H new ATOM 0 HA ASN A 79 10.837 -0.569 -2.122 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.173 -3.409 -1.643 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.149 -2.921 -3.013 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.675 -1.653 -0.960 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.182 -2.489 -2.437 1.00 0.00 H new ATOM 1264 N TYR A 80 9.636 -2.274 -4.650 1.00 0.00 N ATOM 1265 CA TYR A 80 9.456 -2.263 -6.097 1.00 0.00 C ATOM 1266 C TYR A 80 8.617 -1.062 -6.513 1.00 0.00 C ATOM 1267 O TYR A 80 8.944 -0.360 -7.470 1.00 0.00 O ATOM 1268 CB TYR A 80 8.779 -3.554 -6.562 1.00 0.00 C ATOM 1269 CG TYR A 80 8.841 -3.775 -8.058 1.00 0.00 C ATOM 1270 CD1 TYR A 80 8.225 -2.893 -8.941 1.00 0.00 C ATOM 1271 CD2 TYR A 80 9.514 -4.867 -8.590 1.00 0.00 C ATOM 1272 CE1 TYR A 80 8.280 -3.096 -10.308 1.00 0.00 C ATOM 1273 CE2 TYR A 80 9.574 -5.076 -9.955 1.00 0.00 C ATOM 1274 CZ TYR A 80 8.956 -4.187 -10.808 1.00 0.00 C ATOM 1275 OH TYR A 80 9.012 -4.392 -12.167 1.00 0.00 O ATOM 0 H TYR A 80 9.063 -2.959 -4.157 1.00 0.00 H new ATOM 0 HA TYR A 80 10.438 -2.192 -6.566 1.00 0.00 H new ATOM 0 HB2 TYR A 80 9.248 -4.400 -6.060 1.00 0.00 H new ATOM 0 HB3 TYR A 80 7.735 -3.538 -6.250 1.00 0.00 H new ATOM 0 HD1 TYR A 80 7.695 -2.036 -8.552 1.00 0.00 H new ATOM 0 HD2 TYR A 80 9.999 -5.566 -7.925 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.796 -2.403 -10.980 1.00 0.00 H new ATOM 0 HE2 TYR A 80 10.102 -5.931 -10.351 1.00 0.00 H new ATOM 0 HH TYR A 80 9.527 -5.204 -12.354 1.00 0.00 H new ATOM 1285 N HIS A 81 7.533 -0.833 -5.780 1.00 0.00 N ATOM 1286 CA HIS A 81 6.640 0.283 -6.060 1.00 0.00 C ATOM 1287 C HIS A 81 7.328 1.609 -5.766 1.00 0.00 C ATOM 1288 O HIS A 81 7.030 2.626 -6.394 1.00 0.00 O ATOM 1289 CB HIS A 81 5.367 0.168 -5.222 1.00 0.00 C ATOM 1290 CG HIS A 81 4.620 -1.108 -5.442 1.00 0.00 C ATOM 1291 ND1 HIS A 81 3.968 -1.403 -6.618 1.00 0.00 N ATOM 1292 CD2 HIS A 81 4.430 -2.173 -4.630 1.00 0.00 C ATOM 1293 CE1 HIS A 81 3.412 -2.596 -6.524 1.00 0.00 C ATOM 1294 NE2 HIS A 81 3.678 -3.088 -5.328 1.00 0.00 N ATOM 0 H HIS A 81 7.252 -1.408 -4.986 1.00 0.00 H new ATOM 0 HA HIS A 81 6.377 0.250 -7.117 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.628 0.249 -4.167 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.712 1.008 -5.454 1.00 0.00 H new ATOM 0 HD1 HIS A 81 3.922 -0.794 -7.435 1.00 0.00 H new ATOM 0 HD2 HIS A 81 4.800 -2.284 -3.621 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.837 -3.087 -7.295 1.00 0.00 H new ATOM 1303 N ARG A 82 8.245 1.597 -4.803 1.00 0.00 N ATOM 1304 CA ARG A 82 8.961 2.806 -4.431 1.00 0.00 C ATOM 1305 C ARG A 82 9.778 3.326 -5.591 1.00 0.00 C ATOM 1306 O ARG A 82 9.687 4.492 -5.966 1.00 0.00 O ATOM 1307 CB ARG A 82 9.856 2.550 -3.211 1.00 0.00 C ATOM 1308 CG ARG A 82 10.879 3.646 -2.951 1.00 0.00 C ATOM 1309 CD ARG A 82 11.767 3.311 -1.763 1.00 0.00 C ATOM 1310 NE ARG A 82 12.876 2.436 -2.138 1.00 0.00 N ATOM 1311 CZ ARG A 82 13.916 2.829 -2.871 1.00 0.00 C ATOM 1312 NH1 ARG A 82 13.991 4.080 -3.312 1.00 0.00 N ATOM 1313 NH2 ARG A 82 14.882 1.971 -3.166 1.00 0.00 N ATOM 0 H ARG A 82 8.506 0.767 -4.271 1.00 0.00 H new ATOM 0 HA ARG A 82 8.227 3.567 -4.165 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.226 2.439 -2.328 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.380 1.604 -3.350 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.496 3.787 -3.839 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.364 4.589 -2.767 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.161 4.232 -1.334 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.170 2.829 -0.989 1.00 0.00 H new ATOM 0 HE ARG A 82 12.852 1.467 -1.820 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.250 4.745 -3.089 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.790 4.376 -3.873 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.829 1.009 -2.832 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.678 2.273 -3.728 1.00 0.00 H new ATOM 1327 N ALA A 83 10.568 2.450 -6.154 1.00 0.00 N ATOM 1328 CA ALA A 83 11.397 2.810 -7.280 1.00 0.00 C ATOM 1329 C ALA A 83 10.519 3.082 -8.490 1.00 0.00 C ATOM 1330 O ALA A 83 10.464 4.197 -9.009 1.00 0.00 O ATOM 1331 CB ALA A 83 12.399 1.705 -7.582 1.00 0.00 C ATOM 0 H ALA A 83 10.657 1.480 -5.852 1.00 0.00 H new ATOM 0 HA ALA A 83 11.957 3.713 -7.036 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.015 1.995 -8.434 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.036 1.544 -6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.865 0.784 -7.817 1.00 0.00 H new ATOM 1337 N GLN A 84 9.831 2.035 -8.925 1.00 0.00 N ATOM 1338 CA GLN A 84 8.934 2.112 -10.074 1.00 0.00 C ATOM 1339 C GLN A 84 7.473 2.285 -9.662 1.00 0.00 C ATOM 1340 O GLN A 84 6.982 1.581 -8.782 1.00 0.00 O ATOM 1341 CB GLN A 84 9.082 0.863 -10.945 1.00 0.00 C ATOM 1342 CG GLN A 84 10.496 0.642 -11.455 1.00 0.00 C ATOM 1343 CD GLN A 84 10.982 -0.778 -11.238 1.00 0.00 C ATOM 1344 OE1 GLN A 84 11.482 -1.423 -12.159 1.00 0.00 O ATOM 1345 NE2 GLN A 84 10.836 -1.273 -10.014 1.00 0.00 N ATOM 0 H GLN A 84 9.877 1.111 -8.495 1.00 0.00 H new ATOM 0 HA GLN A 84 9.220 2.996 -10.644 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.771 -0.010 -10.370 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.406 0.941 -11.796 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.535 0.876 -12.519 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.172 1.334 -10.952 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.416 -0.703 -9.280 1.00 0.00 H new ATOM 0 HE22 GLN A 84 11.144 -2.223 -9.808 1.00 0.00 H new ATOM 1354 N SER A 85 6.773 3.196 -10.332 1.00 0.00 N ATOM 1355 CA SER A 85 5.354 3.420 -10.060 1.00 0.00 C ATOM 1356 C SER A 85 4.491 2.624 -11.042 1.00 0.00 C ATOM 1357 O SER A 85 3.299 2.896 -11.193 1.00 0.00 O ATOM 1358 CB SER A 85 5.006 4.903 -10.160 1.00 0.00 C ATOM 1359 OG SER A 85 6.165 5.694 -10.362 1.00 0.00 O ATOM 0 H SER A 85 7.162 3.790 -11.065 1.00 0.00 H new ATOM 0 HA SER A 85 5.151 3.081 -9.044 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.309 5.060 -10.983 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.500 5.222 -9.249 1.00 0.00 H new ATOM 0 HG SER A 85 5.910 6.638 -10.424 1.00 0.00 H new ATOM 1365 N LEU A 86 5.107 1.656 -11.721 1.00 0.00 N ATOM 1366 CA LEU A 86 4.416 0.828 -12.711 1.00 0.00 C ATOM 1367 C LEU A 86 3.013 0.427 -12.255 1.00 0.00 C ATOM 1368 O LEU A 86 2.015 0.913 -12.785 1.00 0.00 O ATOM 1369 CB LEU A 86 5.243 -0.426 -13.012 1.00 0.00 C ATOM 1370 CG LEU A 86 4.545 -1.477 -13.885 1.00 0.00 C ATOM 1371 CD1 LEU A 86 5.378 -1.788 -15.120 1.00 0.00 C ATOM 1372 CD2 LEU A 86 4.281 -2.746 -13.088 1.00 0.00 C ATOM 0 H LEU A 86 6.093 1.424 -11.602 1.00 0.00 H new ATOM 0 HA LEU A 86 4.307 1.427 -13.615 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.166 -0.123 -13.506 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.525 -0.891 -12.067 1.00 0.00 H new ATOM 0 HG LEU A 86 3.588 -1.069 -14.210 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.866 -2.535 -15.726 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.515 -0.879 -15.705 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.351 -2.173 -14.815 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.785 -3.479 -13.725 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.226 -3.155 -12.732 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.642 -2.514 -12.236 1.00 0.00 H new ATOM 1384 N SER A 87 2.947 -0.471 -11.281 1.00 0.00 N ATOM 1385 CA SER A 87 1.667 -0.949 -10.768 1.00 0.00 C ATOM 1386 C SER A 87 1.275 -0.215 -9.494 1.00 0.00 C ATOM 1387 O SER A 87 0.685 -0.800 -8.586 1.00 0.00 O ATOM 1388 CB SER A 87 1.732 -2.454 -10.503 1.00 0.00 C ATOM 1389 OG SER A 87 0.544 -2.914 -9.883 1.00 0.00 O ATOM 0 H SER A 87 3.763 -0.884 -10.830 1.00 0.00 H new ATOM 0 HA SER A 87 0.908 -0.749 -11.524 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.885 -2.986 -11.442 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.588 -2.678 -9.867 1.00 0.00 H new ATOM 0 HG SER A 87 0.414 -2.441 -9.035 1.00 0.00 H new ATOM 1395 N HIS A 88 1.603 1.069 -9.430 1.00 0.00 N ATOM 1396 CA HIS A 88 1.281 1.872 -8.263 1.00 0.00 C ATOM 1397 C HIS A 88 1.184 3.349 -8.635 1.00 0.00 C ATOM 1398 O HIS A 88 2.088 3.900 -9.263 1.00 0.00 O ATOM 1399 CB HIS A 88 2.332 1.653 -7.176 1.00 0.00 C ATOM 1400 CG HIS A 88 1.833 1.920 -5.795 1.00 0.00 C ATOM 1401 ND1 HIS A 88 1.385 0.925 -4.954 1.00 0.00 N ATOM 1402 CD2 HIS A 88 1.712 3.076 -5.105 1.00 0.00 C ATOM 1403 CE1 HIS A 88 1.009 1.460 -3.809 1.00 0.00 C ATOM 1404 NE2 HIS A 88 1.199 2.761 -3.873 1.00 0.00 N ATOM 0 H HIS A 88 2.090 1.573 -10.171 1.00 0.00 H new ATOM 0 HA HIS A 88 0.310 1.560 -7.878 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.690 0.625 -7.231 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.187 2.299 -7.375 1.00 0.00 H new ATOM 0 HD1 HIS A 88 1.350 -0.069 -5.181 1.00 0.00 H new ATOM 0 HD2 HIS A 88 1.971 4.063 -5.458 1.00 0.00 H new ATOM 0 HE1 HIS A 88 0.612 0.921 -2.961 1.00 0.00 H new ATOM 1413 N GLY A 89 0.070 3.975 -8.254 1.00 0.00 N ATOM 1414 CA GLY A 89 -0.153 5.382 -8.560 1.00 0.00 C ATOM 1415 C GLY A 89 1.101 6.228 -8.453 1.00 0.00 C ATOM 1416 O GLY A 89 1.428 6.983 -9.368 1.00 0.00 O ATOM 0 H GLY A 89 -0.687 3.529 -7.735 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.555 5.467 -9.570 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.909 5.778 -7.882 1.00 0.00 H new ATOM 1420 N LEU A 90 1.803 6.103 -7.335 1.00 0.00 N ATOM 1421 CA LEU A 90 3.025 6.862 -7.114 1.00 0.00 C ATOM 1422 C LEU A 90 4.126 5.967 -6.557 1.00 0.00 C ATOM 1423 O LEU A 90 3.904 4.791 -6.271 1.00 0.00 O ATOM 1424 CB LEU A 90 2.764 8.021 -6.146 1.00 0.00 C ATOM 1425 CG LEU A 90 2.666 9.412 -6.782 1.00 0.00 C ATOM 1426 CD1 LEU A 90 2.701 10.487 -5.708 1.00 0.00 C ATOM 1427 CD2 LEU A 90 3.792 9.630 -7.783 1.00 0.00 C ATOM 0 H LEU A 90 1.547 5.483 -6.567 1.00 0.00 H new ATOM 0 HA LEU A 90 3.352 7.262 -8.074 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.836 7.821 -5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.562 8.037 -5.404 1.00 0.00 H new ATOM 0 HG LEU A 90 1.717 9.478 -7.315 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.631 11.470 -6.174 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.862 10.348 -5.026 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.636 10.415 -5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.702 10.624 -8.221 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.752 9.543 -7.275 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.729 8.879 -8.570 1.00 0.00 H new ATOM 1439 N ARG A 91 5.312 6.539 -6.403 1.00 0.00 N ATOM 1440 CA ARG A 91 6.454 5.806 -5.876 1.00 0.00 C ATOM 1441 C ARG A 91 6.466 5.849 -4.349 1.00 0.00 C ATOM 1442 O ARG A 91 6.777 6.877 -3.749 1.00 0.00 O ATOM 1443 CB ARG A 91 7.750 6.392 -6.437 1.00 0.00 C ATOM 1444 CG ARG A 91 8.129 5.831 -7.797 1.00 0.00 C ATOM 1445 CD ARG A 91 9.284 6.601 -8.416 1.00 0.00 C ATOM 1446 NE ARG A 91 9.270 6.522 -9.874 1.00 0.00 N ATOM 1447 CZ ARG A 91 9.890 7.391 -10.669 1.00 0.00 C ATOM 1448 NH1 ARG A 91 10.587 8.395 -10.152 1.00 0.00 N ATOM 1449 NH2 ARG A 91 9.816 7.253 -11.986 1.00 0.00 N ATOM 0 H ARG A 91 5.508 7.512 -6.637 1.00 0.00 H new ATOM 0 HA ARG A 91 6.373 4.764 -6.184 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.646 7.474 -6.515 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.561 6.199 -5.734 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.404 4.781 -7.695 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.266 5.871 -8.462 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.231 7.645 -8.108 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.227 6.205 -8.040 1.00 0.00 H new ATOM 0 HE ARG A 91 8.755 5.756 -10.309 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.650 8.504 -9.140 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.060 9.057 -10.767 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.284 6.481 -12.389 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.291 7.918 -12.596 1.00 0.00 H new ATOM 1463 N LEU A 92 6.117 4.722 -3.728 1.00 0.00 N ATOM 1464 CA LEU A 92 6.075 4.613 -2.269 1.00 0.00 C ATOM 1465 C LEU A 92 7.304 5.244 -1.633 1.00 0.00 C ATOM 1466 O LEU A 92 8.412 4.715 -1.719 1.00 0.00 O ATOM 1467 CB LEU A 92 5.925 3.155 -1.868 1.00 0.00 C ATOM 1468 CG LEU A 92 4.716 2.488 -2.513 1.00 0.00 C ATOM 1469 CD1 LEU A 92 4.598 1.030 -2.105 1.00 0.00 C ATOM 1470 CD2 LEU A 92 3.448 3.252 -2.164 1.00 0.00 C ATOM 0 H LEU A 92 5.857 3.865 -4.217 1.00 0.00 H new ATOM 0 HA LEU A 92 5.210 5.164 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.827 2.611 -2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.836 3.088 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 92 4.855 2.512 -3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.725 0.588 -2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.494 0.492 -2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.491 0.963 -1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.591 2.766 -2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.315 3.262 -1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.528 4.276 -2.529 1.00 0.00 H new ATOM 1482 N ALA A 93 7.093 6.404 -1.026 1.00 0.00 N ATOM 1483 CA ALA A 93 8.179 7.158 -0.401 1.00 0.00 C ATOM 1484 C ALA A 93 8.097 7.188 1.127 1.00 0.00 C ATOM 1485 O ALA A 93 8.938 6.601 1.807 1.00 0.00 O ATOM 1486 CB ALA A 93 8.201 8.578 -0.948 1.00 0.00 C ATOM 0 H ALA A 93 6.177 6.847 -0.951 1.00 0.00 H new ATOM 0 HA ALA A 93 9.105 6.640 -0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.012 9.136 -0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.356 8.550 -2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.251 9.067 -0.730 1.00 0.00 H new ATOM 1492 N ALA A 94 7.104 7.894 1.668 1.00 0.00 N ATOM 1493 CA ALA A 94 6.960 8.012 3.119 1.00 0.00 C ATOM 1494 C ALA A 94 5.847 7.121 3.661 1.00 0.00 C ATOM 1495 O ALA A 94 5.008 6.635 2.909 1.00 0.00 O ATOM 1496 CB ALA A 94 6.708 9.461 3.503 1.00 0.00 C ATOM 0 H ALA A 94 6.393 8.389 1.129 1.00 0.00 H new ATOM 0 HA ALA A 94 7.894 7.674 3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.602 9.538 4.585 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.547 10.075 3.176 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.794 9.811 3.024 1.00 0.00 H new ATOM 1502 N PRO A 95 5.832 6.891 4.987 1.00 0.00 N ATOM 1503 CA PRO A 95 4.830 6.056 5.646 1.00 0.00 C ATOM 1504 C PRO A 95 3.546 6.818 5.956 1.00 0.00 C ATOM 1505 O PRO A 95 3.556 8.039 6.106 1.00 0.00 O ATOM 1506 CB PRO A 95 5.519 5.629 6.955 1.00 0.00 C ATOM 1507 CG PRO A 95 6.857 6.308 6.970 1.00 0.00 C ATOM 1508 CD PRO A 95 6.793 7.416 5.958 1.00 0.00 C ATOM 0 HA PRO A 95 4.524 5.223 5.013 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.925 5.922 7.820 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.633 4.546 6.999 1.00 0.00 H new ATOM 0 HG2 PRO A 95 7.079 6.702 7.962 1.00 0.00 H new ATOM 0 HG3 PRO A 95 7.651 5.603 6.722 1.00 0.00 H new ATOM 0 HD2 PRO A 95 6.454 8.353 6.401 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.765 7.610 5.505 1.00 0.00 H new ATOM 1516 N CYS A 96 2.444 6.083 6.061 1.00 0.00 N ATOM 1517 CA CYS A 96 1.152 6.683 6.364 1.00 0.00 C ATOM 1518 C CYS A 96 1.071 7.069 7.838 1.00 0.00 C ATOM 1519 O CYS A 96 1.573 6.352 8.704 1.00 0.00 O ATOM 1520 CB CYS A 96 0.022 5.712 6.016 1.00 0.00 C ATOM 1521 SG CYS A 96 -1.430 6.501 5.286 1.00 0.00 S ATOM 0 H CYS A 96 2.421 5.070 5.940 1.00 0.00 H new ATOM 0 HA CYS A 96 1.044 7.585 5.761 1.00 0.00 H new ATOM 0 HB2 CYS A 96 0.402 4.962 5.322 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.281 5.184 6.921 1.00 0.00 H new ATOM 0 HG CYS A 96 -1.968 7.307 6.153 1.00 0.00 H new ATOM 1527 N ARG A 97 0.441 8.204 8.118 1.00 0.00 N ATOM 1528 CA ARG A 97 0.303 8.679 9.491 1.00 0.00 C ATOM 1529 C ARG A 97 -1.105 9.207 9.749 1.00 0.00 C ATOM 1530 O ARG A 97 -1.818 9.586 8.820 1.00 0.00 O ATOM 1531 CB ARG A 97 1.331 9.773 9.780 1.00 0.00 C ATOM 1532 CG ARG A 97 2.749 9.394 9.386 1.00 0.00 C ATOM 1533 CD ARG A 97 3.639 10.620 9.245 1.00 0.00 C ATOM 1534 NE ARG A 97 4.551 10.766 10.377 1.00 0.00 N ATOM 1535 CZ ARG A 97 5.293 11.849 10.596 1.00 0.00 C ATOM 1536 NH1 ARG A 97 5.233 12.881 9.764 1.00 0.00 N ATOM 1537 NH2 ARG A 97 6.098 11.900 11.649 1.00 0.00 N ATOM 0 H ARG A 97 0.019 8.811 7.416 1.00 0.00 H new ATOM 0 HA ARG A 97 0.481 7.836 10.158 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.044 10.679 9.247 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.309 10.009 10.844 1.00 0.00 H new ATOM 0 HG2 ARG A 97 3.169 8.724 10.136 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.731 8.847 8.444 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.215 10.546 8.322 1.00 0.00 H new ATOM 0 HD3 ARG A 97 3.018 11.512 9.162 1.00 0.00 H new ATOM 0 HE ARG A 97 4.623 9.993 11.038 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.616 12.847 8.952 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.804 13.709 9.936 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.149 11.109 12.291 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.667 12.730 11.817 1.00 0.00 H new