USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 568 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 62 ASN : amide:sc= -1.82 X(o=-1.8,f=-1.5) USER MOD Set 1.2: A 66 MET CE :methyl -168:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 164:sc= -0.0055 (180deg=-0.162) USER MOD Single : A 17 LYS NZ :NH3+ -163:sc= -0.0184 (180deg=-0.215) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 47 LYS NZ :NH3+ -164:sc= -0.0157 (180deg=-0.172) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -1.36! K(o=-1.4!,f=0.14) USER MOD Single : A 68 TYR OH : rot 12:sc= 0.135 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 80:sc= 0.0156 USER MOD Single : A 76 SER OG : rot -52:sc= 0.0247 USER MOD Single : A 77 THR OG1 : rot 106:sc= 1.29 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.867 K(o=-0.87,f=-1.7) USER MOD Single : A 85 HIS : no HD1:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 86 THR OG1 : rot 42:sc= 0.0413 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.268 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N MET A 9 -12.532 10.395 -9.171 1.00 0.00 N ATOM 84 CA MET A 9 -11.718 11.155 -8.229 1.00 0.00 C ATOM 85 C MET A 9 -10.440 10.399 -7.882 1.00 0.00 C ATOM 86 O MET A 9 -10.328 9.200 -8.136 1.00 0.00 O ATOM 87 CB MET A 9 -12.514 11.448 -6.955 1.00 0.00 C ATOM 88 CG MET A 9 -13.354 12.711 -7.040 1.00 0.00 C ATOM 89 SD MET A 9 -13.713 13.417 -5.420 1.00 0.00 S ATOM 90 CE MET A 9 -12.130 14.147 -5.010 1.00 0.00 C ATOM 0 HA MET A 9 -11.444 12.098 -8.702 1.00 0.00 H new ATOM 0 HB2 MET A 9 -13.166 10.601 -6.741 1.00 0.00 H new ATOM 0 HB3 MET A 9 -11.823 11.537 -6.117 1.00 0.00 H new ATOM 0 HG2 MET A 9 -12.831 13.450 -7.646 1.00 0.00 H new ATOM 0 HG3 MET A 9 -14.291 12.486 -7.550 1.00 0.00 H new ATOM 0 HE1 MET A 9 -12.257 14.854 -4.190 1.00 0.00 H new ATOM 0 HE2 MET A 9 -11.435 13.363 -4.709 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.734 14.669 -5.881 1.00 0.00 H new ATOM 100 N ILE A 10 -9.478 11.109 -7.301 1.00 0.00 N ATOM 101 CA ILE A 10 -8.208 10.504 -6.919 1.00 0.00 C ATOM 102 C ILE A 10 -8.415 9.106 -6.345 1.00 0.00 C ATOM 103 O ILE A 10 -7.734 8.157 -6.734 1.00 0.00 O ATOM 104 CB ILE A 10 -7.462 11.366 -5.884 1.00 0.00 C ATOM 105 CG1 ILE A 10 -7.232 12.776 -6.433 1.00 0.00 C ATOM 106 CG2 ILE A 10 -6.140 10.716 -5.506 1.00 0.00 C ATOM 107 CD1 ILE A 10 -6.552 12.794 -7.784 1.00 0.00 C ATOM 0 H ILE A 10 -9.554 12.103 -7.085 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.606 10.437 -7.825 1.00 0.00 H new ATOM 0 HB ILE A 10 -8.076 11.442 -4.986 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.191 13.288 -6.511 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.627 13.340 -5.723 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.625 11.338 -4.774 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.328 9.731 -5.078 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.518 10.612 -6.395 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.421 13.825 -8.112 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.578 12.311 -7.707 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.166 12.259 -8.508 1.00 0.00 H new ATOM 119 N ARG A 11 -9.361 8.987 -5.420 1.00 0.00 N ATOM 120 CA ARG A 11 -9.659 7.705 -4.792 1.00 0.00 C ATOM 121 C ARG A 11 -9.825 6.611 -5.843 1.00 0.00 C ATOM 122 O ARG A 11 -9.140 5.590 -5.803 1.00 0.00 O ATOM 123 CB ARG A 11 -10.929 7.810 -3.945 1.00 0.00 C ATOM 124 CG ARG A 11 -11.025 6.753 -2.858 1.00 0.00 C ATOM 125 CD ARG A 11 -12.463 6.544 -2.410 1.00 0.00 C ATOM 126 NE ARG A 11 -13.013 7.733 -1.765 1.00 0.00 N ATOM 127 CZ ARG A 11 -14.315 7.971 -1.651 1.00 0.00 C ATOM 128 NH1 ARG A 11 -15.196 7.107 -2.136 1.00 0.00 N ATOM 129 NH2 ARG A 11 -14.739 9.076 -1.050 1.00 0.00 N ATOM 0 H ARG A 11 -9.935 9.763 -5.088 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.821 7.442 -4.147 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.968 8.797 -3.484 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.798 7.728 -4.597 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.617 5.812 -3.227 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.416 7.051 -2.004 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.077 6.282 -3.272 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.509 5.703 -1.719 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.362 8.418 -1.381 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.875 6.256 -2.598 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.195 7.293 -2.047 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.065 9.743 -0.675 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.739 9.258 -0.963 1.00 0.00 H new ATOM 143 N GLU A 12 -10.740 6.833 -6.782 1.00 0.00 N ATOM 144 CA GLU A 12 -10.996 5.865 -7.842 1.00 0.00 C ATOM 145 C GLU A 12 -9.720 5.564 -8.624 1.00 0.00 C ATOM 146 O GLU A 12 -9.394 4.404 -8.876 1.00 0.00 O ATOM 147 CB GLU A 12 -12.077 6.389 -8.790 1.00 0.00 C ATOM 148 CG GLU A 12 -13.491 6.181 -8.276 1.00 0.00 C ATOM 149 CD GLU A 12 -14.541 6.409 -9.346 1.00 0.00 C ATOM 150 OE1 GLU A 12 -14.197 6.317 -10.543 1.00 0.00 O ATOM 151 OE2 GLU A 12 -15.706 6.681 -8.987 1.00 0.00 O ATOM 0 H GLU A 12 -11.316 7.674 -6.830 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.344 4.941 -7.380 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.914 7.453 -8.960 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.974 5.893 -9.755 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.587 5.167 -7.889 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.674 6.859 -7.443 1.00 0.00 H new ATOM 158 N ARG A 13 -9.004 6.617 -9.004 1.00 0.00 N ATOM 159 CA ARG A 13 -7.766 6.466 -9.758 1.00 0.00 C ATOM 160 C ARG A 13 -6.800 5.532 -9.036 1.00 0.00 C ATOM 161 O ARG A 13 -6.253 4.604 -9.634 1.00 0.00 O ATOM 162 CB ARG A 13 -7.107 7.829 -9.976 1.00 0.00 C ATOM 163 CG ARG A 13 -7.837 8.705 -10.981 1.00 0.00 C ATOM 164 CD ARG A 13 -6.957 9.843 -11.472 1.00 0.00 C ATOM 165 NE ARG A 13 -7.438 10.404 -12.732 1.00 0.00 N ATOM 166 CZ ARG A 13 -6.990 11.542 -13.248 1.00 0.00 C ATOM 167 NH1 ARG A 13 -6.054 12.238 -12.617 1.00 0.00 N ATOM 168 NH2 ARG A 13 -7.477 11.988 -14.399 1.00 0.00 N ATOM 0 H ARG A 13 -9.260 7.583 -8.802 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.011 6.029 -10.726 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.052 8.353 -9.022 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.082 7.678 -10.316 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.156 8.099 -11.829 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.738 9.112 -10.523 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.923 10.627 -10.716 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.937 9.482 -11.602 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.158 9.893 -13.243 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.676 11.899 -11.732 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.712 13.112 -13.016 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.197 11.456 -14.889 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.132 12.863 -14.794 1.00 0.00 H new ATOM 182 N ILE A 14 -6.594 5.783 -7.748 1.00 0.00 N ATOM 183 CA ILE A 14 -5.694 4.965 -6.944 1.00 0.00 C ATOM 184 C ILE A 14 -6.146 3.508 -6.925 1.00 0.00 C ATOM 185 O ILE A 14 -5.534 2.651 -7.562 1.00 0.00 O ATOM 186 CB ILE A 14 -5.605 5.481 -5.496 1.00 0.00 C ATOM 187 CG1 ILE A 14 -5.088 6.921 -5.476 1.00 0.00 C ATOM 188 CG2 ILE A 14 -4.706 4.578 -4.666 1.00 0.00 C ATOM 189 CD1 ILE A 14 -5.069 7.537 -4.094 1.00 0.00 C ATOM 0 H ILE A 14 -7.038 6.547 -7.238 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.709 5.033 -7.406 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.603 5.467 -5.059 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.079 6.942 -5.888 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.712 7.532 -6.129 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.653 4.956 -3.645 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.113 3.567 -4.658 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.706 4.563 -5.099 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.691 8.558 -4.156 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.080 7.548 -3.687 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.422 6.950 -3.443 1.00 0.00 H new ATOM 201 N GLU A 15 -7.221 3.237 -6.193 1.00 0.00 N ATOM 202 CA GLU A 15 -7.755 1.883 -6.093 1.00 0.00 C ATOM 203 C GLU A 15 -7.825 1.223 -7.467 1.00 0.00 C ATOM 204 O GLU A 15 -7.322 0.118 -7.662 1.00 0.00 O ATOM 205 CB GLU A 15 -9.145 1.905 -5.454 1.00 0.00 C ATOM 206 CG GLU A 15 -9.117 2.048 -3.941 1.00 0.00 C ATOM 207 CD GLU A 15 -10.477 2.389 -3.363 1.00 0.00 C ATOM 208 OE1 GLU A 15 -11.192 3.212 -3.971 1.00 0.00 O ATOM 209 OE2 GLU A 15 -10.825 1.832 -2.301 1.00 0.00 O ATOM 0 H GLU A 15 -7.739 3.936 -5.661 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.083 1.300 -5.463 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.718 2.730 -5.878 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.670 0.986 -5.714 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.761 1.118 -3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.404 2.825 -3.666 1.00 0.00 H new ATOM 216 N GLU A 16 -8.454 1.911 -8.416 1.00 0.00 N ATOM 217 CA GLU A 16 -8.592 1.390 -9.771 1.00 0.00 C ATOM 218 C GLU A 16 -7.359 0.585 -10.172 1.00 0.00 C ATOM 219 O GLU A 16 -7.470 -0.489 -10.764 1.00 0.00 O ATOM 220 CB GLU A 16 -8.811 2.536 -10.761 1.00 0.00 C ATOM 221 CG GLU A 16 -10.263 2.968 -10.881 1.00 0.00 C ATOM 222 CD GLU A 16 -11.019 2.184 -11.935 1.00 0.00 C ATOM 223 OE1 GLU A 16 -10.589 2.197 -13.107 1.00 0.00 O ATOM 224 OE2 GLU A 16 -12.043 1.558 -11.588 1.00 0.00 O ATOM 0 H GLU A 16 -8.875 2.829 -8.271 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.459 0.729 -9.793 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.211 3.392 -10.452 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.449 2.231 -11.743 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.756 2.843 -9.917 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.303 4.030 -11.124 1.00 0.00 H new ATOM 231 N LYS A 17 -6.184 1.112 -9.847 1.00 0.00 N ATOM 232 CA LYS A 17 -4.929 0.445 -10.172 1.00 0.00 C ATOM 233 C LYS A 17 -4.701 -0.758 -9.262 1.00 0.00 C ATOM 234 O LYS A 17 -4.742 -1.905 -9.710 1.00 0.00 O ATOM 235 CB LYS A 17 -3.759 1.423 -10.043 1.00 0.00 C ATOM 236 CG LYS A 17 -3.529 2.262 -11.288 1.00 0.00 C ATOM 237 CD LYS A 17 -2.160 2.923 -11.270 1.00 0.00 C ATOM 238 CE LYS A 17 -1.842 3.582 -12.603 1.00 0.00 C ATOM 239 NZ LYS A 17 -1.667 2.579 -13.690 1.00 0.00 N ATOM 0 H LYS A 17 -6.074 2.000 -9.358 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.990 0.094 -11.202 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.942 2.086 -9.197 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.851 0.863 -9.819 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.619 1.633 -12.174 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.302 3.027 -11.361 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.126 3.669 -10.476 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.398 2.178 -11.040 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.645 4.269 -12.869 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.933 4.176 -12.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.179 3.021 -14.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.101 1.781 -13.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.599 2.234 -13.997 1.00 0.00 H new ATOM 253 N LEU A 18 -4.463 -0.490 -7.983 1.00 0.00 N ATOM 254 CA LEU A 18 -4.231 -1.552 -7.009 1.00 0.00 C ATOM 255 C LEU A 18 -5.086 -2.775 -7.323 1.00 0.00 C ATOM 256 O LEU A 18 -4.597 -3.905 -7.313 1.00 0.00 O ATOM 257 CB LEU A 18 -4.537 -1.051 -5.597 1.00 0.00 C ATOM 258 CG LEU A 18 -3.937 0.305 -5.221 1.00 0.00 C ATOM 259 CD1 LEU A 18 -4.334 0.690 -3.804 1.00 0.00 C ATOM 260 CD2 LEU A 18 -2.423 0.277 -5.364 1.00 0.00 C ATOM 0 H LEU A 18 -4.425 0.453 -7.596 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.182 -1.841 -7.066 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.619 -0.992 -5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.180 -1.794 -4.884 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.332 1.057 -5.904 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.898 1.657 -3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.420 0.753 -3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.969 -0.064 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.014 1.250 -5.092 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.009 -0.487 -4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.159 0.048 -6.397 1.00 0.00 H new ATOM 272 N ARG A 19 -6.364 -2.542 -7.604 1.00 0.00 N ATOM 273 CA ARG A 19 -7.286 -3.625 -7.922 1.00 0.00 C ATOM 274 C ARG A 19 -6.606 -4.683 -8.785 1.00 0.00 C ATOM 275 O ARG A 19 -6.531 -5.852 -8.408 1.00 0.00 O ATOM 276 CB ARG A 19 -8.519 -3.078 -8.644 1.00 0.00 C ATOM 277 CG ARG A 19 -9.562 -2.489 -7.707 1.00 0.00 C ATOM 278 CD ARG A 19 -10.563 -3.540 -7.257 1.00 0.00 C ATOM 279 NE ARG A 19 -11.461 -3.034 -6.222 1.00 0.00 N ATOM 280 CZ ARG A 19 -12.596 -3.631 -5.876 1.00 0.00 C ATOM 281 NH1 ARG A 19 -12.970 -4.750 -6.480 1.00 0.00 N ATOM 282 NH2 ARG A 19 -13.359 -3.108 -4.925 1.00 0.00 N ATOM 0 H ARG A 19 -6.784 -1.613 -7.618 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.597 -4.090 -6.986 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.205 -2.311 -9.352 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.975 -3.880 -9.224 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.068 -2.059 -6.836 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.087 -1.677 -8.210 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.149 -3.873 -8.114 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.028 -4.411 -6.879 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.202 -2.174 -5.738 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.386 -5.154 -7.212 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.842 -5.207 -6.213 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.074 -2.247 -4.459 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.230 -3.567 -4.660 1.00 0.00 H new ATOM 296 N ALA A 20 -6.112 -4.264 -9.946 1.00 0.00 N ATOM 297 CA ALA A 20 -5.437 -5.174 -10.862 1.00 0.00 C ATOM 298 C ALA A 20 -3.942 -5.242 -10.567 1.00 0.00 C ATOM 299 O ALA A 20 -3.255 -6.165 -11.003 1.00 0.00 O ATOM 300 CB ALA A 20 -5.673 -4.745 -12.303 1.00 0.00 C ATOM 0 H ALA A 20 -6.167 -3.300 -10.274 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.855 -6.170 -10.718 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.163 -5.434 -12.976 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.742 -4.755 -12.515 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.283 -3.738 -12.451 1.00 0.00 H new ATOM 306 N ALA A 21 -3.446 -4.258 -9.824 1.00 0.00 N ATOM 307 CA ALA A 21 -2.033 -4.207 -9.470 1.00 0.00 C ATOM 308 C ALA A 21 -1.637 -5.407 -8.617 1.00 0.00 C ATOM 309 O ALA A 21 -0.762 -6.188 -8.993 1.00 0.00 O ATOM 310 CB ALA A 21 -1.719 -2.910 -8.738 1.00 0.00 C ATOM 0 H ALA A 21 -4.002 -3.486 -9.456 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.452 -4.242 -10.391 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.660 -2.885 -8.480 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.955 -2.063 -9.382 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.316 -2.852 -7.828 1.00 0.00 H new ATOM 316 N PHE A 22 -2.285 -5.549 -7.466 1.00 0.00 N ATOM 317 CA PHE A 22 -2.000 -6.654 -6.558 1.00 0.00 C ATOM 318 C PHE A 22 -3.186 -7.609 -6.474 1.00 0.00 C ATOM 319 O PHE A 22 -3.012 -8.824 -6.381 1.00 0.00 O ATOM 320 CB PHE A 22 -1.659 -6.122 -5.164 1.00 0.00 C ATOM 321 CG PHE A 22 -0.477 -5.195 -5.149 1.00 0.00 C ATOM 322 CD1 PHE A 22 0.810 -5.690 -5.286 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.653 -3.829 -4.996 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.899 -4.840 -5.272 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.433 -2.974 -4.982 1.00 0.00 C ATOM 326 CZ PHE A 22 1.711 -3.480 -5.119 1.00 0.00 C ATOM 0 H PHE A 22 -3.012 -4.912 -7.139 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.143 -7.201 -6.950 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.526 -5.599 -4.761 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.459 -6.964 -4.501 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.964 -6.752 -5.405 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.650 -3.428 -4.886 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.897 -5.239 -5.381 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.282 -1.911 -4.864 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.561 -2.814 -5.107 1.00 0.00 H new ATOM 336 N GLN A 23 -4.392 -7.051 -6.507 1.00 0.00 N ATOM 337 CA GLN A 23 -5.607 -7.853 -6.433 1.00 0.00 C ATOM 338 C GLN A 23 -5.799 -8.424 -5.032 1.00 0.00 C ATOM 339 O GLN A 23 -5.991 -9.625 -4.846 1.00 0.00 O ATOM 340 CB GLN A 23 -5.556 -8.989 -7.457 1.00 0.00 C ATOM 341 CG GLN A 23 -4.953 -8.579 -8.791 1.00 0.00 C ATOM 342 CD GLN A 23 -5.134 -9.636 -9.862 1.00 0.00 C ATOM 343 OE1 GLN A 23 -6.258 -10.008 -10.200 1.00 0.00 O ATOM 344 NE2 GLN A 23 -4.025 -10.127 -10.403 1.00 0.00 N ATOM 0 H GLN A 23 -4.553 -6.047 -6.584 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.454 -7.205 -6.660 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -4.976 -9.814 -7.044 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.566 -9.362 -7.624 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.413 -7.648 -9.123 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.890 -8.379 -8.659 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.114 -9.790 -10.093 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.085 -10.841 -11.129 1.00 0.00 H new ATOM 353 N PRO A 24 -5.745 -7.543 -4.022 1.00 0.00 N ATOM 354 CA PRO A 24 -5.910 -7.937 -2.619 1.00 0.00 C ATOM 355 C PRO A 24 -7.339 -8.363 -2.301 1.00 0.00 C ATOM 356 O PRO A 24 -8.175 -8.485 -3.197 1.00 0.00 O ATOM 357 CB PRO A 24 -5.547 -6.665 -1.849 1.00 0.00 C ATOM 358 CG PRO A 24 -5.823 -5.553 -2.802 1.00 0.00 C ATOM 359 CD PRO A 24 -5.519 -6.096 -4.170 1.00 0.00 C ATOM 0 HA PRO A 24 -5.293 -8.798 -2.362 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.144 -6.567 -0.943 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.501 -6.673 -1.542 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.861 -5.228 -2.733 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.202 -4.685 -2.580 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.172 -5.663 -4.928 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.494 -5.878 -4.470 1.00 0.00 H new ATOM 367 N VAL A 25 -7.614 -8.587 -1.020 1.00 0.00 N ATOM 368 CA VAL A 25 -8.943 -8.998 -0.584 1.00 0.00 C ATOM 369 C VAL A 25 -9.751 -7.806 -0.086 1.00 0.00 C ATOM 370 O VAL A 25 -10.949 -7.699 -0.351 1.00 0.00 O ATOM 371 CB VAL A 25 -8.865 -10.054 0.535 1.00 0.00 C ATOM 372 CG1 VAL A 25 -8.154 -9.489 1.755 1.00 0.00 C ATOM 373 CG2 VAL A 25 -10.257 -10.548 0.899 1.00 0.00 C ATOM 0 H VAL A 25 -6.934 -8.491 -0.266 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.440 -9.433 -1.451 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.287 -10.903 0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.109 -10.250 2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.142 -9.190 1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.701 -8.622 2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.183 -11.293 1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.862 -9.710 1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.725 -10.995 0.022 1.00 0.00 H new ATOM 383 N PHE A 26 -9.088 -6.909 0.637 1.00 0.00 N ATOM 384 CA PHE A 26 -9.745 -5.723 1.173 1.00 0.00 C ATOM 385 C PHE A 26 -9.231 -4.460 0.488 1.00 0.00 C ATOM 386 O PHE A 26 -8.058 -4.371 0.123 1.00 0.00 O ATOM 387 CB PHE A 26 -9.517 -5.626 2.683 1.00 0.00 C ATOM 388 CG PHE A 26 -10.433 -4.651 3.366 1.00 0.00 C ATOM 389 CD1 PHE A 26 -11.808 -4.761 3.232 1.00 0.00 C ATOM 390 CD2 PHE A 26 -9.919 -3.625 4.143 1.00 0.00 C ATOM 391 CE1 PHE A 26 -12.654 -3.866 3.860 1.00 0.00 C ATOM 392 CE2 PHE A 26 -10.760 -2.727 4.773 1.00 0.00 C ATOM 393 CZ PHE A 26 -12.129 -2.847 4.631 1.00 0.00 C ATOM 0 H PHE A 26 -8.096 -6.981 0.865 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.814 -5.812 0.979 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.653 -6.612 3.127 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.484 -5.333 2.868 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -12.224 -5.555 2.630 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.850 -3.526 4.258 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.724 -3.963 3.748 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.347 -1.932 5.376 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.787 -2.146 5.122 1.00 0.00 H new ATOM 403 N LEU A 27 -10.118 -3.485 0.315 1.00 0.00 N ATOM 404 CA LEU A 27 -9.755 -2.227 -0.327 1.00 0.00 C ATOM 405 C LEU A 27 -10.663 -1.095 0.143 1.00 0.00 C ATOM 406 O LEU A 27 -11.887 -1.194 0.062 1.00 0.00 O ATOM 407 CB LEU A 27 -9.839 -2.365 -1.848 1.00 0.00 C ATOM 408 CG LEU A 27 -8.882 -1.487 -2.656 1.00 0.00 C ATOM 409 CD1 LEU A 27 -7.446 -1.952 -2.470 1.00 0.00 C ATOM 410 CD2 LEU A 27 -9.262 -1.498 -4.129 1.00 0.00 C ATOM 0 H LEU A 27 -11.093 -3.542 0.610 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.730 -1.987 -0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.652 -3.407 -2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.859 -2.137 -2.158 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.961 -0.464 -2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.779 -1.316 -3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.177 -1.890 -1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.351 -2.984 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.570 -0.868 -4.688 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.213 -2.518 -4.510 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.276 -1.116 -4.246 1.00 0.00 H new ATOM 422 N GLU A 28 -10.054 -0.018 0.631 1.00 0.00 N ATOM 423 CA GLU A 28 -10.809 1.133 1.112 1.00 0.00 C ATOM 424 C GLU A 28 -9.902 2.350 1.269 1.00 0.00 C ATOM 425 O GLU A 28 -8.878 2.293 1.949 1.00 0.00 O ATOM 426 CB GLU A 28 -11.480 0.808 2.448 1.00 0.00 C ATOM 427 CG GLU A 28 -12.564 1.799 2.841 1.00 0.00 C ATOM 428 CD GLU A 28 -13.567 1.210 3.815 1.00 0.00 C ATOM 429 OE1 GLU A 28 -13.297 1.241 5.034 1.00 0.00 O ATOM 430 OE2 GLU A 28 -14.620 0.719 3.358 1.00 0.00 O ATOM 0 H GLU A 28 -9.041 0.081 0.703 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.577 1.366 0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.914 -0.190 2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.721 0.783 3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.102 2.679 3.289 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.087 2.134 1.945 1.00 0.00 H new ATOM 437 N VAL A 29 -10.287 3.453 0.633 1.00 0.00 N ATOM 438 CA VAL A 29 -9.511 4.685 0.701 1.00 0.00 C ATOM 439 C VAL A 29 -10.343 5.829 1.269 1.00 0.00 C ATOM 440 O VAL A 29 -11.452 6.095 0.804 1.00 0.00 O ATOM 441 CB VAL A 29 -8.979 5.091 -0.686 1.00 0.00 C ATOM 442 CG1 VAL A 29 -8.148 6.361 -0.589 1.00 0.00 C ATOM 443 CG2 VAL A 29 -8.168 3.959 -1.298 1.00 0.00 C ATOM 0 H VAL A 29 -11.132 3.518 0.065 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.667 4.490 1.363 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.830 5.291 -1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.781 6.632 -1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.764 7.170 -0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.303 6.193 0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.800 4.263 -2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.324 3.725 -0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.799 3.076 -1.405 1.00 0.00 H new ATOM 453 N VAL A 30 -9.802 6.504 2.278 1.00 0.00 N ATOM 454 CA VAL A 30 -10.494 7.621 2.910 1.00 0.00 C ATOM 455 C VAL A 30 -10.009 8.954 2.352 1.00 0.00 C ATOM 456 O VAL A 30 -8.886 9.379 2.621 1.00 0.00 O ATOM 457 CB VAL A 30 -10.295 7.613 4.437 1.00 0.00 C ATOM 458 CG1 VAL A 30 -10.999 8.802 5.073 1.00 0.00 C ATOM 459 CG2 VAL A 30 -10.796 6.306 5.033 1.00 0.00 C ATOM 0 H VAL A 30 -8.886 6.297 2.676 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.555 7.502 2.689 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.229 7.697 4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.848 8.780 6.152 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.589 9.727 4.668 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -12.066 8.752 4.855 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.647 6.318 6.113 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.857 6.189 4.814 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.243 5.473 4.600 1.00 0.00 H new ATOM 469 N ASP A 31 -10.864 9.609 1.573 1.00 0.00 N ATOM 470 CA ASP A 31 -10.523 10.896 0.978 1.00 0.00 C ATOM 471 C ASP A 31 -10.862 12.041 1.927 1.00 0.00 C ATOM 472 O ASP A 31 -11.790 11.940 2.729 1.00 0.00 O ATOM 473 CB ASP A 31 -11.263 11.080 -0.348 1.00 0.00 C ATOM 474 CG ASP A 31 -10.485 10.530 -1.527 1.00 0.00 C ATOM 475 OD1 ASP A 31 -10.136 9.331 -1.501 1.00 0.00 O ATOM 476 OD2 ASP A 31 -10.225 11.298 -2.476 1.00 0.00 O ATOM 0 H ASP A 31 -11.797 9.270 1.339 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.449 10.909 0.791 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.232 10.583 -0.292 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.458 12.141 -0.508 1.00 0.00 H new ATOM 481 N GLU A 32 -10.103 13.127 1.830 1.00 0.00 N ATOM 482 CA GLU A 32 -10.322 14.290 2.682 1.00 0.00 C ATOM 483 C GLU A 32 -11.217 15.313 1.988 1.00 0.00 C ATOM 484 O GLU A 32 -10.746 16.348 1.518 1.00 0.00 O ATOM 485 CB GLU A 32 -8.987 14.936 3.056 1.00 0.00 C ATOM 486 CG GLU A 32 -8.060 15.148 1.870 1.00 0.00 C ATOM 487 CD GLU A 32 -7.208 13.930 1.571 1.00 0.00 C ATOM 488 OE1 GLU A 32 -6.399 13.544 2.439 1.00 0.00 O ATOM 489 OE2 GLU A 32 -7.351 13.364 0.467 1.00 0.00 O ATOM 0 H GLU A 32 -9.331 13.226 1.170 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.821 13.953 3.590 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.179 15.897 3.533 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.484 14.310 3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.653 15.397 0.990 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.411 16.001 2.069 1.00 0.00 H new ATOM 686 N PHE A 46 -5.073 11.996 4.286 1.00 0.00 N ATOM 687 CA PHE A 46 -5.309 10.893 3.361 1.00 0.00 C ATOM 688 C PHE A 46 -4.818 9.574 3.952 1.00 0.00 C ATOM 689 O PHE A 46 -3.795 9.529 4.636 1.00 0.00 O ATOM 690 CB PHE A 46 -4.608 11.159 2.027 1.00 0.00 C ATOM 691 CG PHE A 46 -5.208 10.405 0.875 1.00 0.00 C ATOM 692 CD1 PHE A 46 -6.580 10.380 0.685 1.00 0.00 C ATOM 693 CD2 PHE A 46 -4.399 9.721 -0.018 1.00 0.00 C ATOM 694 CE1 PHE A 46 -7.134 9.686 -0.374 1.00 0.00 C ATOM 695 CE2 PHE A 46 -4.947 9.026 -1.080 1.00 0.00 C ATOM 696 CZ PHE A 46 -6.316 9.009 -1.258 1.00 0.00 C ATOM 0 HA PHE A 46 -6.383 10.818 3.190 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.647 12.227 1.812 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.556 10.890 2.118 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -7.224 10.909 1.372 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.328 9.731 0.117 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.205 9.673 -0.510 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.305 8.497 -1.769 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.747 8.467 -2.087 1.00 0.00 H new ATOM 706 N LYS A 47 -5.556 8.502 3.684 1.00 0.00 N ATOM 707 CA LYS A 47 -5.197 7.181 4.187 1.00 0.00 C ATOM 708 C LYS A 47 -5.797 6.085 3.313 1.00 0.00 C ATOM 709 O LYS A 47 -6.961 6.158 2.919 1.00 0.00 O ATOM 710 CB LYS A 47 -5.676 7.016 5.631 1.00 0.00 C ATOM 711 CG LYS A 47 -5.494 5.609 6.175 1.00 0.00 C ATOM 712 CD LYS A 47 -6.717 4.747 5.914 1.00 0.00 C ATOM 713 CE LYS A 47 -7.831 5.044 6.907 1.00 0.00 C ATOM 714 NZ LYS A 47 -7.512 4.530 8.268 1.00 0.00 N ATOM 0 H LYS A 47 -6.406 8.522 3.121 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.111 7.091 4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.134 7.716 6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.731 7.285 5.688 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.619 5.150 5.714 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.302 5.655 7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.076 4.921 4.900 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.442 3.694 5.978 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.997 6.120 6.955 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.760 4.593 6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.379 4.503 8.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.117 3.571 8.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.817 5.156 8.722 1.00 0.00 H new ATOM 728 N VAL A 48 -4.995 5.068 3.013 1.00 0.00 N ATOM 729 CA VAL A 48 -5.448 3.955 2.187 1.00 0.00 C ATOM 730 C VAL A 48 -5.272 2.625 2.912 1.00 0.00 C ATOM 731 O VAL A 48 -4.223 2.360 3.499 1.00 0.00 O ATOM 732 CB VAL A 48 -4.686 3.902 0.850 1.00 0.00 C ATOM 733 CG1 VAL A 48 -5.002 2.614 0.105 1.00 0.00 C ATOM 734 CG2 VAL A 48 -5.022 5.116 -0.003 1.00 0.00 C ATOM 0 H VAL A 48 -4.028 4.992 3.330 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.507 4.120 1.987 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.617 3.919 1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.454 2.595 -0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.706 1.760 0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.072 2.563 -0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.475 5.062 -0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.093 5.133 -0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.740 6.024 0.529 1.00 0.00 H new ATOM 744 N VAL A 49 -6.307 1.792 2.868 1.00 0.00 N ATOM 745 CA VAL A 49 -6.268 0.489 3.520 1.00 0.00 C ATOM 746 C VAL A 49 -6.307 -0.639 2.495 1.00 0.00 C ATOM 747 O VAL A 49 -7.207 -0.700 1.656 1.00 0.00 O ATOM 748 CB VAL A 49 -7.441 0.316 4.502 1.00 0.00 C ATOM 749 CG1 VAL A 49 -7.475 -1.103 5.050 1.00 0.00 C ATOM 750 CG2 VAL A 49 -7.344 1.330 5.631 1.00 0.00 C ATOM 0 H VAL A 49 -7.183 1.997 2.387 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.331 0.441 4.075 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.372 0.494 3.963 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.311 -1.206 5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.596 -1.808 4.227 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.542 -1.313 5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.181 1.193 6.316 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.407 1.186 6.170 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.374 2.338 5.218 1.00 0.00 H new ATOM 760 N LEU A 50 -5.325 -1.532 2.568 1.00 0.00 N ATOM 761 CA LEU A 50 -5.247 -2.660 1.647 1.00 0.00 C ATOM 762 C LEU A 50 -4.736 -3.909 2.358 1.00 0.00 C ATOM 763 O LEU A 50 -3.579 -3.969 2.775 1.00 0.00 O ATOM 764 CB LEU A 50 -4.332 -2.319 0.469 1.00 0.00 C ATOM 765 CG LEU A 50 -4.101 -3.439 -0.547 1.00 0.00 C ATOM 766 CD1 LEU A 50 -3.612 -2.867 -1.868 1.00 0.00 C ATOM 767 CD2 LEU A 50 -3.107 -4.455 -0.003 1.00 0.00 C ATOM 0 H LEU A 50 -4.572 -1.496 3.255 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.251 -2.863 1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.752 -1.461 -0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.365 -2.009 0.864 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.049 -3.947 -0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.453 -3.678 -2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.358 -2.178 -2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.674 -2.335 -1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.954 -5.245 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.157 -3.961 0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.497 -4.888 0.918 1.00 0.00 H new ATOM 779 N VAL A 51 -5.605 -4.906 2.490 1.00 0.00 N ATOM 780 CA VAL A 51 -5.241 -6.155 3.147 1.00 0.00 C ATOM 781 C VAL A 51 -4.901 -7.235 2.126 1.00 0.00 C ATOM 782 O VAL A 51 -5.621 -7.425 1.145 1.00 0.00 O ATOM 783 CB VAL A 51 -6.376 -6.663 4.056 1.00 0.00 C ATOM 784 CG1 VAL A 51 -5.988 -7.981 4.710 1.00 0.00 C ATOM 785 CG2 VAL A 51 -6.725 -5.619 5.106 1.00 0.00 C ATOM 0 H VAL A 51 -6.566 -4.873 2.150 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.362 -5.946 3.757 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.260 -6.837 3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.802 -8.324 5.348 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.793 -8.726 3.939 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.091 -7.838 5.312 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.529 -5.995 5.739 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.847 -5.411 5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.049 -4.702 4.614 1.00 0.00 H new ATOM 795 N SER A 52 -3.799 -7.940 2.362 1.00 0.00 N ATOM 796 CA SER A 52 -3.361 -8.999 1.461 1.00 0.00 C ATOM 797 C SER A 52 -2.356 -9.917 2.150 1.00 0.00 C ATOM 798 O SER A 52 -1.556 -9.473 2.973 1.00 0.00 O ATOM 799 CB SER A 52 -2.739 -8.398 0.199 1.00 0.00 C ATOM 800 OG SER A 52 -2.530 -9.392 -0.789 1.00 0.00 O ATOM 0 H SER A 52 -3.193 -7.797 3.170 1.00 0.00 H new ATOM 0 HA SER A 52 -4.234 -9.589 1.182 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.391 -7.619 -0.196 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.790 -7.923 0.448 1.00 0.00 H new ATOM 0 HG SER A 52 -2.133 -8.983 -1.586 1.00 0.00 H new ATOM 806 N ASP A 53 -2.404 -11.199 1.806 1.00 0.00 N ATOM 807 CA ASP A 53 -1.497 -12.182 2.389 1.00 0.00 C ATOM 808 C ASP A 53 -0.091 -12.030 1.817 1.00 0.00 C ATOM 809 O ASP A 53 0.896 -12.352 2.479 1.00 0.00 O ATOM 810 CB ASP A 53 -2.015 -13.598 2.136 1.00 0.00 C ATOM 811 CG ASP A 53 -1.458 -14.604 3.125 1.00 0.00 C ATOM 812 OD1 ASP A 53 -0.364 -14.354 3.672 1.00 0.00 O ATOM 813 OD2 ASP A 53 -2.116 -15.641 3.351 1.00 0.00 O ATOM 0 H ASP A 53 -3.061 -11.582 1.127 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.453 -12.007 3.464 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.103 -13.599 2.195 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.750 -13.903 1.124 1.00 0.00 H new ATOM 818 N ARG A 54 -0.009 -11.540 0.585 1.00 0.00 N ATOM 819 CA ARG A 54 1.276 -11.349 -0.077 1.00 0.00 C ATOM 820 C ARG A 54 2.284 -10.703 0.870 1.00 0.00 C ATOM 821 O ARG A 54 3.494 -10.858 0.704 1.00 0.00 O ATOM 822 CB ARG A 54 1.107 -10.483 -1.326 1.00 0.00 C ATOM 823 CG ARG A 54 0.233 -11.120 -2.395 1.00 0.00 C ATOM 824 CD ARG A 54 0.999 -12.168 -3.188 1.00 0.00 C ATOM 825 NE ARG A 54 0.165 -12.801 -4.206 1.00 0.00 N ATOM 826 CZ ARG A 54 0.570 -13.817 -4.960 1.00 0.00 C ATOM 827 NH1 ARG A 54 1.790 -14.313 -4.810 1.00 0.00 N ATOM 828 NH2 ARG A 54 -0.247 -14.340 -5.865 1.00 0.00 N ATOM 0 H ARG A 54 -0.817 -11.268 0.025 1.00 0.00 H new ATOM 0 HA ARG A 54 1.654 -12.328 -0.371 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.674 -9.525 -1.038 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.090 -10.274 -1.749 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.638 -11.580 -1.928 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.137 -10.349 -3.071 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.862 -11.703 -3.664 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.382 -12.929 -2.508 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.780 -12.444 -4.346 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.421 -13.915 -4.114 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.098 -15.093 -5.390 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.187 -13.962 -5.982 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.065 -15.120 -6.443 1.00 0.00 H new ATOM 842 N PHE A 55 1.777 -9.980 1.862 1.00 0.00 N ATOM 843 CA PHE A 55 2.632 -9.309 2.834 1.00 0.00 C ATOM 844 C PHE A 55 2.972 -10.241 3.994 1.00 0.00 C ATOM 845 O PHE A 55 3.072 -9.810 5.143 1.00 0.00 O ATOM 846 CB PHE A 55 1.948 -8.047 3.363 1.00 0.00 C ATOM 847 CG PHE A 55 1.632 -7.043 2.291 1.00 0.00 C ATOM 848 CD1 PHE A 55 0.454 -7.130 1.567 1.00 0.00 C ATOM 849 CD2 PHE A 55 2.513 -6.011 2.009 1.00 0.00 C ATOM 850 CE1 PHE A 55 0.161 -6.208 0.580 1.00 0.00 C ATOM 851 CE2 PHE A 55 2.225 -5.085 1.024 1.00 0.00 C ATOM 852 CZ PHE A 55 1.047 -5.184 0.309 1.00 0.00 C ATOM 0 H PHE A 55 0.778 -9.843 2.014 1.00 0.00 H new ATOM 0 HA PHE A 55 3.558 -9.028 2.332 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.025 -8.329 3.870 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.591 -7.580 4.109 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.243 -7.928 1.776 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.435 -5.929 2.565 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.760 -6.288 0.021 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.920 -4.285 0.814 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.819 -4.462 -0.461 1.00 0.00 H new ATOM 961 N ASN A 62 10.022 -2.696 2.179 1.00 0.00 N ATOM 962 CA ASN A 62 9.454 -2.888 0.849 1.00 0.00 C ATOM 963 C ASN A 62 7.944 -2.674 0.867 1.00 0.00 C ATOM 964 O ASN A 62 7.329 -2.427 -0.171 1.00 0.00 O ATOM 965 CB ASN A 62 9.775 -4.292 0.333 1.00 0.00 C ATOM 966 CG ASN A 62 8.719 -5.308 0.725 1.00 0.00 C ATOM 967 OD1 ASN A 62 8.265 -6.098 -0.103 1.00 0.00 O ATOM 968 ND2 ASN A 62 8.324 -5.291 1.992 1.00 0.00 N ATOM 0 HA ASN A 62 9.900 -2.151 0.180 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.864 -4.265 -0.753 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.742 -4.608 0.725 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.616 -5.951 2.314 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.728 -4.618 2.643 1.00 0.00 H new ATOM 975 N ARG A 63 7.352 -2.769 2.053 1.00 0.00 N ATOM 976 CA ARG A 63 5.914 -2.586 2.206 1.00 0.00 C ATOM 977 C ARG A 63 5.415 -1.440 1.330 1.00 0.00 C ATOM 978 O ARG A 63 4.635 -1.650 0.401 1.00 0.00 O ATOM 979 CB ARG A 63 5.566 -2.311 3.670 1.00 0.00 C ATOM 980 CG ARG A 63 5.964 -3.436 4.612 1.00 0.00 C ATOM 981 CD ARG A 63 4.850 -4.461 4.758 1.00 0.00 C ATOM 982 NE ARG A 63 5.266 -5.611 5.557 1.00 0.00 N ATOM 983 CZ ARG A 63 4.414 -6.459 6.122 1.00 0.00 C ATOM 984 NH1 ARG A 63 3.108 -6.288 5.976 1.00 0.00 N ATOM 985 NH2 ARG A 63 4.869 -7.482 6.834 1.00 0.00 N ATOM 0 H ARG A 63 7.846 -2.972 2.922 1.00 0.00 H new ATOM 0 HA ARG A 63 5.421 -3.505 1.889 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.060 -1.392 3.986 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.493 -2.141 3.754 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.863 -3.925 4.237 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.210 -3.023 5.590 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.983 -3.991 5.223 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.537 -4.800 3.770 1.00 0.00 H new ATOM 0 HE ARG A 63 6.265 -5.771 5.688 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.754 -5.503 5.428 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.456 -6.941 6.411 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.874 -7.618 6.948 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.214 -8.133 7.268 1.00 0.00 H new ATOM 999 N HIS A 64 5.871 -0.229 1.633 1.00 0.00 N ATOM 1000 CA HIS A 64 5.471 0.950 0.873 1.00 0.00 C ATOM 1001 C HIS A 64 6.077 0.926 -0.527 1.00 0.00 C ATOM 1002 O HIS A 64 5.406 1.242 -1.509 1.00 0.00 O ATOM 1003 CB HIS A 64 5.899 2.223 1.605 1.00 0.00 C ATOM 1004 CG HIS A 64 5.800 2.119 3.096 1.00 0.00 C ATOM 1005 ND1 HIS A 64 4.745 2.634 3.818 1.00 0.00 N ATOM 1006 CD2 HIS A 64 6.633 1.554 4.000 1.00 0.00 C ATOM 1007 CE1 HIS A 64 4.933 2.391 5.103 1.00 0.00 C ATOM 1008 NE2 HIS A 64 6.072 1.737 5.240 1.00 0.00 N ATOM 0 H HIS A 64 6.517 -0.038 2.399 1.00 0.00 H new ATOM 0 HA HIS A 64 4.385 0.941 0.779 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.928 2.460 1.333 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.280 3.053 1.265 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.565 1.053 3.786 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.269 2.678 5.905 1.00 0.00 H new ATOM 0 HE2 HIS A 64 6.470 1.419 6.124 1.00 0.00 H new ATOM 1017 N ARG A 65 7.348 0.548 -0.609 1.00 0.00 N ATOM 1018 CA ARG A 65 8.045 0.484 -1.888 1.00 0.00 C ATOM 1019 C ARG A 65 7.095 0.057 -3.004 1.00 0.00 C ATOM 1020 O ARG A 65 6.726 0.860 -3.860 1.00 0.00 O ATOM 1021 CB ARG A 65 9.222 -0.489 -1.805 1.00 0.00 C ATOM 1022 CG ARG A 65 10.387 0.033 -0.980 1.00 0.00 C ATOM 1023 CD ARG A 65 11.700 -0.607 -1.404 1.00 0.00 C ATOM 1024 NE ARG A 65 12.046 -0.284 -2.786 1.00 0.00 N ATOM 1025 CZ ARG A 65 13.270 -0.409 -3.285 1.00 0.00 C ATOM 1026 NH1 ARG A 65 14.260 -0.848 -2.520 1.00 0.00 N ATOM 1027 NH2 ARG A 65 13.506 -0.095 -4.553 1.00 0.00 N ATOM 0 H ARG A 65 7.916 0.281 0.195 1.00 0.00 H new ATOM 0 HA ARG A 65 8.423 1.480 -2.117 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.876 -1.429 -1.375 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.572 -0.709 -2.813 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.456 1.115 -1.090 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.206 -0.169 0.076 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.498 -0.270 -0.742 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.629 -1.689 -1.292 1.00 0.00 H new ATOM 0 HE ARG A 65 11.307 0.056 -3.401 1.00 0.00 H new ATOM 0 HH11 ARG A 65 14.082 -1.091 -1.545 1.00 0.00 H new ATOM 0 HH12 ARG A 65 15.199 -0.943 -2.906 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.747 0.243 -5.145 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.447 -0.191 -4.936 1.00 0.00 H new ATOM 1041 N MET A 66 6.704 -1.213 -2.986 1.00 0.00 N ATOM 1042 CA MET A 66 5.797 -1.747 -3.996 1.00 0.00 C ATOM 1043 C MET A 66 4.597 -0.827 -4.189 1.00 0.00 C ATOM 1044 O MET A 66 4.267 -0.450 -5.314 1.00 0.00 O ATOM 1045 CB MET A 66 5.323 -3.146 -3.597 1.00 0.00 C ATOM 1046 CG MET A 66 5.285 -3.370 -2.094 1.00 0.00 C ATOM 1047 SD MET A 66 4.146 -4.683 -1.616 1.00 0.00 S ATOM 1048 CE MET A 66 5.293 -5.945 -1.071 1.00 0.00 C ATOM 0 H MET A 66 7.001 -1.891 -2.284 1.00 0.00 H new ATOM 0 HA MET A 66 6.339 -1.810 -4.939 1.00 0.00 H new ATOM 0 HB2 MET A 66 4.327 -3.313 -4.006 1.00 0.00 H new ATOM 0 HB3 MET A 66 5.982 -3.887 -4.050 1.00 0.00 H new ATOM 0 HG2 MET A 66 6.287 -3.617 -1.742 1.00 0.00 H new ATOM 0 HG3 MET A 66 4.993 -2.443 -1.600 1.00 0.00 H new ATOM 0 HE1 MET A 66 4.763 -6.889 -0.946 1.00 0.00 H new ATOM 0 HE2 MET A 66 6.081 -6.066 -1.815 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.735 -5.649 -0.120 1.00 0.00 H new ATOM 1058 N ILE A 67 3.947 -0.469 -3.086 1.00 0.00 N ATOM 1059 CA ILE A 67 2.784 0.408 -3.136 1.00 0.00 C ATOM 1060 C ILE A 67 3.102 1.701 -3.879 1.00 0.00 C ATOM 1061 O ILE A 67 2.628 1.921 -4.994 1.00 0.00 O ATOM 1062 CB ILE A 67 2.278 0.753 -1.723 1.00 0.00 C ATOM 1063 CG1 ILE A 67 1.963 -0.526 -0.944 1.00 0.00 C ATOM 1064 CG2 ILE A 67 1.050 1.647 -1.803 1.00 0.00 C ATOM 1065 CD1 ILE A 67 0.578 -1.072 -1.215 1.00 0.00 C ATOM 0 H ILE A 67 4.206 -0.773 -2.147 1.00 0.00 H new ATOM 0 HA ILE A 67 2.004 -0.133 -3.671 1.00 0.00 H new ATOM 0 HB ILE A 67 3.063 1.294 -1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.701 -1.287 -1.197 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.064 -0.326 0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.705 1.882 -0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.305 2.570 -2.324 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.259 1.131 -2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.423 -1.978 -0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.168 -0.328 -0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.479 -1.304 -2.276 1.00 0.00 H new ATOM 1077 N TYR A 68 3.908 2.553 -3.255 1.00 0.00 N ATOM 1078 CA TYR A 68 4.289 3.825 -3.857 1.00 0.00 C ATOM 1079 C TYR A 68 4.694 3.638 -5.316 1.00 0.00 C ATOM 1080 O TYR A 68 4.391 4.473 -6.168 1.00 0.00 O ATOM 1081 CB TYR A 68 5.439 4.459 -3.074 1.00 0.00 C ATOM 1082 CG TYR A 68 5.020 5.031 -1.738 1.00 0.00 C ATOM 1083 CD1 TYR A 68 3.885 5.824 -1.625 1.00 0.00 C ATOM 1084 CD2 TYR A 68 5.760 4.780 -0.590 1.00 0.00 C ATOM 1085 CE1 TYR A 68 3.498 6.349 -0.407 1.00 0.00 C ATOM 1086 CE2 TYR A 68 5.380 5.299 0.633 1.00 0.00 C ATOM 1087 CZ TYR A 68 4.249 6.083 0.719 1.00 0.00 C ATOM 1088 OH TYR A 68 3.868 6.604 1.934 1.00 0.00 O ATOM 0 H TYR A 68 4.310 2.386 -2.333 1.00 0.00 H new ATOM 0 HA TYR A 68 3.425 4.488 -3.821 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.214 3.709 -2.912 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.883 5.252 -3.676 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.295 6.034 -2.505 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.648 4.169 -0.654 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.613 6.964 -0.337 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.966 5.092 1.516 1.00 0.00 H new ATOM 0 HH TYR A 68 2.961 6.969 1.864 1.00 0.00 H new ATOM 1098 N SER A 69 5.381 2.535 -5.596 1.00 0.00 N ATOM 1099 CA SER A 69 5.831 2.238 -6.950 1.00 0.00 C ATOM 1100 C SER A 69 4.658 2.241 -7.926 1.00 0.00 C ATOM 1101 O SER A 69 4.729 2.838 -9.000 1.00 0.00 O ATOM 1102 CB SER A 69 6.538 0.882 -6.989 1.00 0.00 C ATOM 1103 OG SER A 69 7.409 0.792 -8.104 1.00 0.00 O ATOM 0 H SER A 69 5.638 1.832 -4.903 1.00 0.00 H new ATOM 0 HA SER A 69 6.533 3.015 -7.251 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.104 0.737 -6.069 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.797 0.084 -7.037 1.00 0.00 H new ATOM 0 HG SER A 69 7.850 -0.083 -8.105 1.00 0.00 H new ATOM 1109 N THR A 70 3.577 1.568 -7.544 1.00 0.00 N ATOM 1110 CA THR A 70 2.388 1.491 -8.383 1.00 0.00 C ATOM 1111 C THR A 70 1.911 2.880 -8.789 1.00 0.00 C ATOM 1112 O THR A 70 1.738 3.167 -9.974 1.00 0.00 O ATOM 1113 CB THR A 70 1.241 0.755 -7.666 1.00 0.00 C ATOM 1114 OG1 THR A 70 1.716 -0.481 -7.120 1.00 0.00 O ATOM 1115 CG2 THR A 70 0.090 0.483 -8.623 1.00 0.00 C ATOM 0 H THR A 70 3.501 1.068 -6.658 1.00 0.00 H new ATOM 0 HA THR A 70 2.667 0.931 -9.275 1.00 0.00 H new ATOM 0 HB THR A 70 0.879 1.393 -6.859 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.182 -0.308 -6.275 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.708 -0.038 -8.094 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.289 1.427 -9.014 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.442 -0.136 -9.448 1.00 0.00 H new ATOM 1123 N LEU A 71 1.699 3.740 -7.799 1.00 0.00 N ATOM 1124 CA LEU A 71 1.241 5.102 -8.053 1.00 0.00 C ATOM 1125 C LEU A 71 2.390 6.096 -7.921 1.00 0.00 C ATOM 1126 O LEU A 71 2.208 7.209 -7.428 1.00 0.00 O ATOM 1127 CB LEU A 71 0.117 5.473 -7.084 1.00 0.00 C ATOM 1128 CG LEU A 71 -0.916 4.381 -6.805 1.00 0.00 C ATOM 1129 CD1 LEU A 71 -0.491 3.534 -5.616 1.00 0.00 C ATOM 1130 CD2 LEU A 71 -2.288 4.994 -6.562 1.00 0.00 C ATOM 0 H LEU A 71 1.837 3.519 -6.813 1.00 0.00 H new ATOM 0 HA LEU A 71 0.861 5.147 -9.074 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.565 5.772 -6.136 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.404 6.345 -7.480 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.978 3.735 -7.681 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.239 2.762 -5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.470 3.065 -5.828 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.399 4.167 -4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.011 4.202 -6.365 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.240 5.664 -5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.597 5.556 -7.443 1.00 0.00 H new ATOM 1142 N ALA A 72 3.574 5.687 -8.366 1.00 0.00 N ATOM 1143 CA ALA A 72 4.752 6.543 -8.301 1.00 0.00 C ATOM 1144 C ALA A 72 4.432 7.955 -8.781 1.00 0.00 C ATOM 1145 O ALA A 72 4.573 8.921 -8.032 1.00 0.00 O ATOM 1146 CB ALA A 72 5.883 5.947 -9.125 1.00 0.00 C ATOM 0 H ALA A 72 3.742 4.768 -8.775 1.00 0.00 H new ATOM 0 HA ALA A 72 5.069 6.605 -7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.756 6.597 -9.068 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.137 4.962 -8.735 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.567 5.855 -10.164 1.00 0.00 H new ATOM 1152 N GLU A 73 4.001 8.066 -10.034 1.00 0.00 N ATOM 1153 CA GLU A 73 3.663 9.360 -10.613 1.00 0.00 C ATOM 1154 C GLU A 73 2.220 9.740 -10.291 1.00 0.00 C ATOM 1155 O GLU A 73 1.941 10.865 -9.878 1.00 0.00 O ATOM 1156 CB GLU A 73 3.869 9.336 -12.129 1.00 0.00 C ATOM 1157 CG GLU A 73 5.326 9.216 -12.542 1.00 0.00 C ATOM 1158 CD GLU A 73 6.091 10.513 -12.366 1.00 0.00 C ATOM 1159 OE1 GLU A 73 6.230 10.968 -11.211 1.00 0.00 O ATOM 1160 OE2 GLU A 73 6.552 11.072 -13.383 1.00 0.00 O ATOM 0 H GLU A 73 3.878 7.275 -10.667 1.00 0.00 H new ATOM 0 HA GLU A 73 4.324 10.108 -10.176 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.310 8.500 -12.550 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.452 10.247 -12.559 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.804 8.434 -11.952 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.380 8.906 -13.586 1.00 0.00 H new ATOM 1167 N GLU A 74 1.308 8.792 -10.483 1.00 0.00 N ATOM 1168 CA GLU A 74 -0.106 9.028 -10.215 1.00 0.00 C ATOM 1169 C GLU A 74 -0.292 9.790 -8.906 1.00 0.00 C ATOM 1170 O GLU A 74 -1.010 10.789 -8.852 1.00 0.00 O ATOM 1171 CB GLU A 74 -0.865 7.701 -10.158 1.00 0.00 C ATOM 1172 CG GLU A 74 -0.728 6.866 -11.420 1.00 0.00 C ATOM 1173 CD GLU A 74 -0.980 7.670 -12.681 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -1.914 8.499 -12.679 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -0.243 7.471 -13.669 1.00 0.00 O ATOM 0 H GLU A 74 1.523 7.854 -10.823 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.508 9.633 -11.028 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.504 7.122 -9.308 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.921 7.904 -9.980 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.273 6.437 -11.461 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.430 6.033 -11.378 1.00 0.00 H new ATOM 1182 N LEU A 75 0.360 9.311 -7.852 1.00 0.00 N ATOM 1183 CA LEU A 75 0.267 9.945 -6.542 1.00 0.00 C ATOM 1184 C LEU A 75 0.948 11.310 -6.548 1.00 0.00 C ATOM 1185 O LEU A 75 0.609 12.187 -5.754 1.00 0.00 O ATOM 1186 CB LEU A 75 0.901 9.051 -5.474 1.00 0.00 C ATOM 1187 CG LEU A 75 2.430 9.051 -5.421 1.00 0.00 C ATOM 1188 CD1 LEU A 75 2.931 10.140 -4.485 1.00 0.00 C ATOM 1189 CD2 LEU A 75 2.948 7.689 -4.983 1.00 0.00 C ATOM 0 H LEU A 75 0.959 8.486 -7.879 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.788 10.087 -6.309 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.523 9.360 -4.499 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.563 8.028 -5.637 1.00 0.00 H new ATOM 0 HG LEU A 75 2.810 9.257 -6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.021 10.125 -4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.590 11.112 -4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.542 9.965 -3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.037 7.707 -4.951 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.560 7.453 -3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.619 6.929 -5.692 1.00 0.00 H new ATOM 1201 N SER A 76 1.908 11.482 -7.451 1.00 0.00 N ATOM 1202 CA SER A 76 2.638 12.740 -7.560 1.00 0.00 C ATOM 1203 C SER A 76 1.860 13.748 -8.401 1.00 0.00 C ATOM 1204 O SER A 76 2.423 14.718 -8.909 1.00 0.00 O ATOM 1205 CB SER A 76 4.017 12.502 -8.177 1.00 0.00 C ATOM 1206 OG SER A 76 4.925 13.524 -7.805 1.00 0.00 O ATOM 0 H SER A 76 2.198 10.767 -8.117 1.00 0.00 H new ATOM 0 HA SER A 76 2.762 13.148 -6.557 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.401 11.534 -7.854 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.932 12.465 -9.263 1.00 0.00 H new ATOM 0 HG SER A 76 4.528 14.400 -7.995 1.00 0.00 H new ATOM 1212 N THR A 77 0.559 13.512 -8.544 1.00 0.00 N ATOM 1213 CA THR A 77 -0.297 14.397 -9.324 1.00 0.00 C ATOM 1214 C THR A 77 -0.883 15.502 -8.453 1.00 0.00 C ATOM 1215 O THR A 77 -0.628 16.686 -8.677 1.00 0.00 O ATOM 1216 CB THR A 77 -1.448 13.620 -9.991 1.00 0.00 C ATOM 1217 OG1 THR A 77 -0.922 12.543 -10.775 1.00 0.00 O ATOM 1218 CG2 THR A 77 -2.279 14.538 -10.874 1.00 0.00 C ATOM 0 H THR A 77 0.076 12.715 -8.130 1.00 0.00 H new ATOM 0 HA THR A 77 0.329 14.841 -10.098 1.00 0.00 H new ATOM 0 HB THR A 77 -2.089 13.218 -9.206 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.082 11.694 -10.313 1.00 0.00 H new ATOM 0 HG21 THR A 77 -3.086 13.968 -11.334 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.701 15.340 -10.269 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.646 14.965 -11.652 1.00 0.00 H new ATOM 1226 N THR A 78 -1.671 15.109 -7.456 1.00 0.00 N ATOM 1227 CA THR A 78 -2.294 16.067 -6.551 1.00 0.00 C ATOM 1228 C THR A 78 -2.002 15.719 -5.096 1.00 0.00 C ATOM 1229 O THR A 78 -1.895 16.602 -4.245 1.00 0.00 O ATOM 1230 CB THR A 78 -3.819 16.125 -6.758 1.00 0.00 C ATOM 1231 OG1 THR A 78 -4.402 17.063 -5.846 1.00 0.00 O ATOM 1232 CG2 THR A 78 -4.445 14.754 -6.553 1.00 0.00 C ATOM 0 H THR A 78 -1.893 14.134 -7.255 1.00 0.00 H new ATOM 0 HA THR A 78 -1.867 17.043 -6.780 1.00 0.00 H new ATOM 0 HB THR A 78 -4.013 16.446 -7.781 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.372 17.095 -5.985 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.522 14.820 -6.704 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.020 14.050 -7.268 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.241 14.409 -5.539 1.00 0.00 H new ATOM 1240 N VAL A 79 -1.875 14.425 -4.816 1.00 0.00 N ATOM 1241 CA VAL A 79 -1.593 13.960 -3.464 1.00 0.00 C ATOM 1242 C VAL A 79 -0.130 14.181 -3.099 1.00 0.00 C ATOM 1243 O VAL A 79 0.769 13.887 -3.889 1.00 0.00 O ATOM 1244 CB VAL A 79 -1.931 12.466 -3.302 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -1.489 11.963 -1.937 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -3.420 12.231 -3.510 1.00 0.00 C ATOM 0 H VAL A 79 -1.963 13.681 -5.508 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.223 14.543 -2.792 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.388 11.904 -4.062 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.736 10.906 -1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.412 12.095 -1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.001 12.527 -1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.641 11.170 -3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.985 12.803 -2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.702 12.551 -4.513 1.00 0.00 H new ATOM 1256 N HIS A 80 0.104 14.700 -1.898 1.00 0.00 N ATOM 1257 CA HIS A 80 1.460 14.960 -1.428 1.00 0.00 C ATOM 1258 C HIS A 80 1.856 13.969 -0.337 1.00 0.00 C ATOM 1259 O HIS A 80 2.910 13.340 -0.409 1.00 0.00 O ATOM 1260 CB HIS A 80 1.575 16.390 -0.901 1.00 0.00 C ATOM 1261 CG HIS A 80 0.528 16.741 0.111 1.00 0.00 C ATOM 1262 ND1 HIS A 80 -0.763 17.088 -0.230 1.00 0.00 N ATOM 1263 CD2 HIS A 80 0.586 16.796 1.462 1.00 0.00 C ATOM 1264 CE1 HIS A 80 -1.452 17.342 0.867 1.00 0.00 C ATOM 1265 NE2 HIS A 80 -0.657 17.172 1.908 1.00 0.00 N ATOM 0 H HIS A 80 -0.628 14.949 -1.232 1.00 0.00 H new ATOM 0 HA HIS A 80 2.140 14.837 -2.271 1.00 0.00 H new ATOM 0 HB2 HIS A 80 2.560 16.526 -0.455 1.00 0.00 H new ATOM 0 HB3 HIS A 80 1.506 17.084 -1.739 1.00 0.00 H new ATOM 0 HD2 HIS A 80 1.449 16.584 2.075 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -2.490 17.639 0.907 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -0.923 17.299 2.884 1.00 0.00 H new ATOM 1274 N ALA A 81 1.003 13.838 0.674 1.00 0.00 N ATOM 1275 CA ALA A 81 1.263 12.924 1.779 1.00 0.00 C ATOM 1276 C ALA A 81 0.157 11.881 1.901 1.00 0.00 C ATOM 1277 O ALA A 81 -1.024 12.221 1.991 1.00 0.00 O ATOM 1278 CB ALA A 81 1.407 13.698 3.081 1.00 0.00 C ATOM 0 H ALA A 81 0.126 14.353 0.750 1.00 0.00 H new ATOM 0 HA ALA A 81 2.198 12.402 1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.601 13.003 3.898 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.237 14.400 2.997 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.487 14.246 3.282 1.00 0.00 H new ATOM 1284 N LEU A 82 0.546 10.611 1.902 1.00 0.00 N ATOM 1285 CA LEU A 82 -0.413 9.517 2.012 1.00 0.00 C ATOM 1286 C LEU A 82 0.110 8.426 2.940 1.00 0.00 C ATOM 1287 O LEU A 82 1.246 7.973 2.804 1.00 0.00 O ATOM 1288 CB LEU A 82 -0.708 8.930 0.631 1.00 0.00 C ATOM 1289 CG LEU A 82 -1.474 7.607 0.613 1.00 0.00 C ATOM 1290 CD1 LEU A 82 -2.790 7.743 1.363 1.00 0.00 C ATOM 1291 CD2 LEU A 82 -1.718 7.151 -0.818 1.00 0.00 C ATOM 0 H LEU A 82 1.519 10.313 1.828 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.335 9.916 2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.277 9.664 0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.239 8.786 0.110 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.869 6.852 1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.322 6.792 1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.592 8.023 2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.401 8.512 0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.264 6.208 -0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.302 7.905 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.762 7.013 -1.324 1.00 0.00 H new ATOM 1303 N ALA A 83 -0.728 8.006 3.883 1.00 0.00 N ATOM 1304 CA ALA A 83 -0.352 6.965 4.831 1.00 0.00 C ATOM 1305 C ALA A 83 -0.789 5.590 4.338 1.00 0.00 C ATOM 1306 O ALA A 83 -1.974 5.256 4.367 1.00 0.00 O ATOM 1307 CB ALA A 83 -0.954 7.253 6.198 1.00 0.00 C ATOM 0 H ALA A 83 -1.672 8.371 4.010 1.00 0.00 H new ATOM 0 HA ALA A 83 0.735 6.963 4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.665 6.467 6.896 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.589 8.214 6.561 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.041 7.285 6.118 1.00 0.00 H new ATOM 1313 N LEU A 84 0.175 4.795 3.885 1.00 0.00 N ATOM 1314 CA LEU A 84 -0.111 3.455 3.384 1.00 0.00 C ATOM 1315 C LEU A 84 -0.176 2.449 4.528 1.00 0.00 C ATOM 1316 O LEU A 84 0.791 2.274 5.271 1.00 0.00 O ATOM 1317 CB LEU A 84 0.956 3.029 2.374 1.00 0.00 C ATOM 1318 CG LEU A 84 1.280 4.039 1.273 1.00 0.00 C ATOM 1319 CD1 LEU A 84 2.464 3.564 0.445 1.00 0.00 C ATOM 1320 CD2 LEU A 84 0.065 4.270 0.387 1.00 0.00 C ATOM 0 H LEU A 84 1.161 5.055 3.854 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.082 3.478 2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.874 2.808 2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.632 2.101 1.904 1.00 0.00 H new ATOM 0 HG LEU A 84 1.548 4.986 1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.680 4.295 -0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.336 3.451 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.225 2.605 -0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.314 4.992 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.234 3.328 -0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.757 4.656 0.990 1.00 0.00 H new ATOM 1332 N HIS A 85 -1.321 1.787 4.664 1.00 0.00 N ATOM 1333 CA HIS A 85 -1.511 0.795 5.716 1.00 0.00 C ATOM 1334 C HIS A 85 -1.675 -0.601 5.124 1.00 0.00 C ATOM 1335 O HIS A 85 -2.763 -0.979 4.687 1.00 0.00 O ATOM 1336 CB HIS A 85 -2.732 1.149 6.565 1.00 0.00 C ATOM 1337 CG HIS A 85 -2.473 2.230 7.568 1.00 0.00 C ATOM 1338 ND1 HIS A 85 -1.812 2.009 8.758 1.00 0.00 N ATOM 1339 CD2 HIS A 85 -2.787 3.546 7.552 1.00 0.00 C ATOM 1340 CE1 HIS A 85 -1.733 3.143 9.432 1.00 0.00 C ATOM 1341 NE2 HIS A 85 -2.317 4.091 8.722 1.00 0.00 N ATOM 0 H HIS A 85 -2.131 1.920 4.059 1.00 0.00 H new ATOM 0 HA HIS A 85 -0.624 0.799 6.349 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.543 1.462 5.907 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.072 0.255 7.087 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.310 4.070 6.766 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -1.270 3.272 10.399 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -2.405 5.069 8.998 1.00 0.00 H new ATOM 1350 N THR A 86 -0.586 -1.365 5.110 1.00 0.00 N ATOM 1351 CA THR A 86 -0.609 -2.718 4.569 1.00 0.00 C ATOM 1352 C THR A 86 -0.698 -3.754 5.684 1.00 0.00 C ATOM 1353 O THR A 86 0.168 -3.816 6.558 1.00 0.00 O ATOM 1354 CB THR A 86 0.642 -3.003 3.717 1.00 0.00 C ATOM 1355 OG1 THR A 86 1.809 -2.501 4.377 1.00 0.00 O ATOM 1356 CG2 THR A 86 0.517 -2.365 2.342 1.00 0.00 C ATOM 0 H THR A 86 0.322 -1.069 5.467 1.00 0.00 H new ATOM 0 HA THR A 86 -1.494 -2.791 3.937 1.00 0.00 H new ATOM 0 HB THR A 86 0.732 -4.082 3.593 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.753 -2.698 5.335 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.412 -2.580 1.758 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.356 -2.771 1.830 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.405 -1.286 2.450 1.00 0.00 H new ATOM 1364 N TYR A 87 -1.748 -4.566 5.648 1.00 0.00 N ATOM 1365 CA TYR A 87 -1.950 -5.600 6.657 1.00 0.00 C ATOM 1366 C TYR A 87 -2.322 -6.929 6.008 1.00 0.00 C ATOM 1367 O TYR A 87 -2.642 -6.987 4.820 1.00 0.00 O ATOM 1368 CB TYR A 87 -3.042 -5.175 7.640 1.00 0.00 C ATOM 1369 CG TYR A 87 -2.553 -4.242 8.724 1.00 0.00 C ATOM 1370 CD1 TYR A 87 -2.061 -2.981 8.411 1.00 0.00 C ATOM 1371 CD2 TYR A 87 -2.581 -4.621 10.060 1.00 0.00 C ATOM 1372 CE1 TYR A 87 -1.612 -2.124 9.398 1.00 0.00 C ATOM 1373 CE2 TYR A 87 -2.136 -3.771 11.053 1.00 0.00 C ATOM 1374 CZ TYR A 87 -1.652 -2.524 10.718 1.00 0.00 C ATOM 1375 OH TYR A 87 -1.205 -1.675 11.704 1.00 0.00 O ATOM 0 H TYR A 87 -2.473 -4.529 4.931 1.00 0.00 H new ATOM 0 HA TYR A 87 -1.014 -5.732 7.199 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.846 -4.687 7.088 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -3.468 -6.065 8.103 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.029 -2.665 7.379 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.957 -5.598 10.327 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.232 -1.147 9.138 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -2.167 -4.081 12.087 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.303 -2.108 12.578 1.00 0.00 H new ATOM 1385 N THR A 88 -2.278 -7.998 6.797 1.00 0.00 N ATOM 1386 CA THR A 88 -2.610 -9.328 6.302 1.00 0.00 C ATOM 1387 C THR A 88 -3.981 -9.774 6.798 1.00 0.00 C ATOM 1388 O THR A 88 -4.659 -9.040 7.518 1.00 0.00 O ATOM 1389 CB THR A 88 -1.558 -10.367 6.734 1.00 0.00 C ATOM 1390 OG1 THR A 88 -1.693 -10.649 8.131 1.00 0.00 O ATOM 1391 CG2 THR A 88 -0.151 -9.864 6.447 1.00 0.00 C ATOM 0 H THR A 88 -2.015 -7.968 7.782 1.00 0.00 H new ATOM 0 HA THR A 88 -2.623 -9.265 5.214 1.00 0.00 H new ATOM 0 HB THR A 88 -1.725 -11.280 6.162 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.022 -11.312 8.397 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.575 -10.614 6.760 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.042 -9.678 5.379 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.024 -8.939 6.996 1.00 0.00 H new ATOM 1399 N ILE A 89 -4.382 -10.979 6.410 1.00 0.00 N ATOM 1400 CA ILE A 89 -5.672 -11.523 6.817 1.00 0.00 C ATOM 1401 C ILE A 89 -5.675 -11.877 8.300 1.00 0.00 C ATOM 1402 O ILE A 89 -6.726 -11.903 8.941 1.00 0.00 O ATOM 1403 CB ILE A 89 -6.038 -12.776 6.001 1.00 0.00 C ATOM 1404 CG1 ILE A 89 -6.461 -12.383 4.584 1.00 0.00 C ATOM 1405 CG2 ILE A 89 -7.146 -13.554 6.694 1.00 0.00 C ATOM 1406 CD1 ILE A 89 -5.304 -12.275 3.616 1.00 0.00 C ATOM 0 H ILE A 89 -3.832 -11.598 5.814 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.415 -10.748 6.629 1.00 0.00 H new ATOM 0 HB ILE A 89 -5.159 -13.417 5.933 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -7.171 -13.120 4.208 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -6.983 -11.427 4.621 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -7.394 -14.437 6.105 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.810 -13.861 7.685 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -8.029 -12.922 6.790 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.678 -11.993 2.632 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.604 -11.518 3.969 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.795 -13.236 3.549 1.00 0.00 H new ATOM 1418 N LYS A 90 -4.492 -12.147 8.841 1.00 0.00 N ATOM 1419 CA LYS A 90 -4.357 -12.496 10.250 1.00 0.00 C ATOM 1420 C LYS A 90 -4.092 -11.255 11.096 1.00 0.00 C ATOM 1421 O LYS A 90 -4.898 -10.893 11.952 1.00 0.00 O ATOM 1422 CB LYS A 90 -3.223 -13.506 10.440 1.00 0.00 C ATOM 1423 CG LYS A 90 -2.564 -13.432 11.806 1.00 0.00 C ATOM 1424 CD LYS A 90 -3.510 -13.882 12.907 1.00 0.00 C ATOM 1425 CE LYS A 90 -2.872 -13.746 14.281 1.00 0.00 C ATOM 1426 NZ LYS A 90 -3.800 -14.165 15.367 1.00 0.00 N ATOM 0 H LYS A 90 -3.613 -12.131 8.325 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.295 -12.944 10.578 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.615 -14.512 10.289 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.467 -13.340 9.672 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.671 -14.057 11.814 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.239 -12.410 11.999 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.423 -13.288 12.869 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.797 -14.920 12.739 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.967 -14.352 14.323 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.570 -12.711 14.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.328 -14.058 16.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.653 -13.570 15.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.068 -15.160 15.230 1.00 0.00 H new ATOM 1440 N GLU A 91 -2.959 -10.605 10.848 1.00 0.00 N ATOM 1441 CA GLU A 91 -2.590 -9.404 11.587 1.00 0.00 C ATOM 1442 C GLU A 91 -3.818 -8.545 11.877 1.00 0.00 C ATOM 1443 O GLU A 91 -3.973 -8.017 12.978 1.00 0.00 O ATOM 1444 CB GLU A 91 -1.560 -8.591 10.801 1.00 0.00 C ATOM 1445 CG GLU A 91 -0.129 -9.059 11.008 1.00 0.00 C ATOM 1446 CD GLU A 91 0.542 -8.380 12.187 1.00 0.00 C ATOM 1447 OE1 GLU A 91 0.005 -8.477 13.310 1.00 0.00 O ATOM 1448 OE2 GLU A 91 1.603 -7.753 11.986 1.00 0.00 O ATOM 0 H GLU A 91 -2.281 -10.890 10.141 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.151 -9.713 12.536 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.801 -8.644 9.739 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.637 -7.544 11.093 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.122 -10.138 11.163 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.448 -8.863 10.104 1.00 0.00 H new ATOM 1455 N TRP A 92 -4.686 -8.410 10.881 1.00 0.00 N ATOM 1456 CA TRP A 92 -5.900 -7.615 11.028 1.00 0.00 C ATOM 1457 C TRP A 92 -6.929 -8.346 11.883 1.00 0.00 C ATOM 1458 O TRP A 92 -7.499 -7.771 12.810 1.00 0.00 O ATOM 1459 CB TRP A 92 -6.494 -7.295 9.655 1.00 0.00 C ATOM 1460 CG TRP A 92 -7.365 -6.075 9.655 1.00 0.00 C ATOM 1461 CD1 TRP A 92 -8.636 -5.976 9.167 1.00 0.00 C ATOM 1462 CD2 TRP A 92 -7.026 -4.780 10.164 1.00 0.00 C ATOM 1463 NE1 TRP A 92 -9.109 -4.697 9.342 1.00 0.00 N ATOM 1464 CE2 TRP A 92 -8.140 -3.945 9.953 1.00 0.00 C ATOM 1465 CE3 TRP A 92 -5.891 -4.246 10.780 1.00 0.00 C ATOM 1466 CZ2 TRP A 92 -8.149 -2.606 10.335 1.00 0.00 C ATOM 1467 CZ3 TRP A 92 -5.902 -2.917 11.158 1.00 0.00 C ATOM 1468 CH2 TRP A 92 -7.025 -2.109 10.935 1.00 0.00 C ATOM 0 H TRP A 92 -4.572 -8.840 9.963 1.00 0.00 H new ATOM 0 HA TRP A 92 -5.636 -6.683 11.528 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -5.683 -7.154 8.940 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.077 -8.149 9.311 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -9.189 -6.784 8.711 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -10.031 -4.362 9.063 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.021 -4.861 10.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -9.013 -1.982 10.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -5.030 -2.494 11.634 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -7.002 -1.074 11.243 1.00 0.00 H new ATOM 1479 N GLU A 93 -7.161 -9.616 11.567 1.00 0.00 N ATOM 1480 CA GLU A 93 -8.123 -10.424 12.307 1.00 0.00 C ATOM 1481 C GLU A 93 -8.041 -10.131 13.803 1.00 0.00 C ATOM 1482 O GLU A 93 -9.037 -10.222 14.520 1.00 0.00 O ATOM 1483 CB GLU A 93 -7.875 -11.912 12.053 1.00 0.00 C ATOM 1484 CG GLU A 93 -8.654 -12.466 10.872 1.00 0.00 C ATOM 1485 CD GLU A 93 -10.025 -12.979 11.265 1.00 0.00 C ATOM 1486 OE1 GLU A 93 -10.948 -12.152 11.415 1.00 0.00 O ATOM 1487 OE2 GLU A 93 -10.175 -14.209 11.424 1.00 0.00 O ATOM 0 H GLU A 93 -6.696 -10.107 10.804 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.122 -10.165 11.957 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.810 -12.070 11.881 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.141 -12.474 12.948 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.764 -11.687 10.117 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.085 -13.275 10.414 1.00 0.00 H new ATOM 1494 N GLY A 94 -6.846 -9.780 14.267 1.00 0.00 N ATOM 1495 CA GLY A 94 -6.655 -9.481 15.674 1.00 0.00 C ATOM 1496 C GLY A 94 -5.332 -8.793 15.947 1.00 0.00 C ATOM 1497 O GLY A 94 -4.432 -9.377 16.551 1.00 0.00 O ATOM 0 H GLY A 94 -6.006 -9.697 13.694 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.470 -8.845 16.021 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.705 -10.406 16.249 1.00 0.00 H new