USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 860 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 22 MET CE :methyl 179:sc= -8.2! (180deg=-7.32!) USER MOD Set 1.2: A 74 ASN : amide:sc= -0.429 X(o=-12,f=-13) USER MOD Set 1.3: A 77 TYR OH : rot -15:sc= -3.49! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -164:sc= -0.221 (180deg=-0.639) USER MOD Single : A 16 THR OG1 : rot 160:sc= -1.73! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 156:sc= -0.0018 (180deg=-0.86) USER MOD Single : A 33 TYR OH : rot -132:sc= 1.1 USER MOD Single : A 37 CYS SG : rot 174:sc= -0.015 USER MOD Single : A 39 HIS : no HD1:sc= -0.0179 X(o=-0.018,f=-0.085) USER MOD Single : A 40 CYS SG : rot 15:sc= -0.0995 USER MOD Single : A 41 LYS NZ :NH3+ 139:sc= -0.976 (180deg=-2.8!) USER MOD Single : A 42 GLN : amide:sc= -1.51 X(o=-1.5,f=-1.3!) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.916 USER MOD Single : A 48 THR OG1 : rot 83:sc= 1.23 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -121:sc= -0.0103 (180deg=-1.04) USER MOD Single : A 53 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0125) USER MOD Single : A 54 TYR OH : rot 150:sc= -2.17 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc=-0.00158 X(o=-0.0016,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 179:sc= -1.44 (180deg=-1.48) USER MOD Single : A 68 THR OG1 : rot 180:sc=-0.00293 USER MOD Single : A 70 ASN : amide:sc=0.000902 X(o=0.0009,f=-0.22) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.915 X(o=-0.91,f=-0.56) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 123:sc= -0.0187 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.211 USER MOD Single : A 90 SER OG : rot -167:sc= -2.28 USER MOD Single : A 93 LYS NZ :NH3+ -110:sc= -1.32! (180deg=-3.25) USER MOD Single : A 94 LYS NZ :NH3+ 159:sc= -0.0588 (180deg=-0.416) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc=-0.00166 X(o=-0.0017,f=-0.013) USER MOD Single : A 110 SER OG : rot -104:sc= 0.423 USER MOD Single : A 111 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0766) USER MOD Single : A 116 HIS : no HE2:sc= -9.49! C(o=-9.5!,f=-9.8!) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 7.863 4.377 -12.929 1.00 0.00 N ATOM 67 CA PRO A 8 7.977 2.957 -12.585 1.00 0.00 C ATOM 68 C PRO A 8 6.749 2.439 -11.845 1.00 0.00 C ATOM 69 O PRO A 8 6.238 1.360 -12.147 1.00 0.00 O ATOM 70 CB PRO A 8 9.209 2.910 -11.677 1.00 0.00 C ATOM 71 CG PRO A 8 9.298 4.277 -11.089 1.00 0.00 C ATOM 72 CD PRO A 8 8.785 5.216 -12.146 1.00 0.00 C ATOM 0 HA PRO A 8 8.060 2.328 -13.471 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.101 2.152 -10.902 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.108 2.662 -12.242 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.702 4.350 -10.179 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.325 4.519 -10.817 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.274 6.074 -11.708 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.594 5.608 -12.763 1.00 0.00 H new ATOM 80 N VAL A 9 6.279 3.214 -10.873 1.00 0.00 N ATOM 81 CA VAL A 9 5.109 2.834 -10.090 1.00 0.00 C ATOM 82 C VAL A 9 3.846 2.855 -10.943 1.00 0.00 C ATOM 83 O VAL A 9 3.494 3.880 -11.526 1.00 0.00 O ATOM 84 CB VAL A 9 4.915 3.769 -8.881 1.00 0.00 C ATOM 85 CG1 VAL A 9 3.659 3.392 -8.111 1.00 0.00 C ATOM 86 CG2 VAL A 9 6.137 3.731 -7.976 1.00 0.00 C ATOM 0 H VAL A 9 6.691 4.109 -10.609 1.00 0.00 H new ATOM 0 HA VAL A 9 5.284 1.820 -9.731 1.00 0.00 H new ATOM 0 HB VAL A 9 4.795 4.788 -9.248 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.538 4.063 -7.261 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.792 3.476 -8.766 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.745 2.366 -7.754 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.982 4.397 -7.127 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.291 2.714 -7.615 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.015 4.054 -8.536 1.00 0.00 H new ATOM 96 N LYS A 10 3.167 1.715 -11.012 1.00 0.00 N ATOM 97 CA LYS A 10 1.940 1.601 -11.792 1.00 0.00 C ATOM 98 C LYS A 10 0.783 2.309 -11.095 1.00 0.00 C ATOM 99 O LYS A 10 0.667 2.271 -9.869 1.00 0.00 O ATOM 100 CB LYS A 10 1.590 0.128 -12.018 1.00 0.00 C ATOM 101 CG LYS A 10 0.249 -0.080 -12.699 1.00 0.00 C ATOM 102 CD LYS A 10 0.240 -1.348 -13.537 1.00 0.00 C ATOM 103 CE LYS A 10 -1.160 -1.681 -14.030 1.00 0.00 C ATOM 104 NZ LYS A 10 -1.132 -2.604 -15.198 1.00 0.00 N ATOM 0 H LYS A 10 3.446 0.856 -10.537 1.00 0.00 H new ATOM 0 HA LYS A 10 2.107 2.081 -12.756 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.371 -0.334 -12.623 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.584 -0.387 -11.057 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.538 -0.134 -11.947 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.025 0.778 -13.333 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.908 -1.226 -14.390 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.626 -2.179 -12.946 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.731 -2.136 -13.221 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.676 -0.761 -14.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.105 -2.806 -15.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.609 -2.160 -15.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.662 -3.492 -14.928 1.00 0.00 H new ATOM 118 N VAL A 11 -0.072 2.953 -11.882 1.00 0.00 N ATOM 119 CA VAL A 11 -1.222 3.666 -11.340 1.00 0.00 C ATOM 120 C VAL A 11 -2.500 2.852 -11.500 1.00 0.00 C ATOM 121 O VAL A 11 -2.734 2.242 -12.544 1.00 0.00 O ATOM 122 CB VAL A 11 -1.408 5.034 -12.025 1.00 0.00 C ATOM 123 CG1 VAL A 11 -0.061 5.625 -12.412 1.00 0.00 C ATOM 124 CG2 VAL A 11 -2.311 4.901 -13.242 1.00 0.00 C ATOM 0 H VAL A 11 0.010 2.996 -12.898 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.026 3.822 -10.279 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.886 5.713 -11.319 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.212 6.591 -12.894 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.549 5.757 -11.518 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.448 4.951 -13.101 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.432 5.876 -13.714 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.863 4.207 -13.953 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.286 4.525 -12.932 1.00 0.00 H new ATOM 134 N VAL A 12 -3.327 2.846 -10.459 1.00 0.00 N ATOM 135 CA VAL A 12 -4.584 2.108 -10.485 1.00 0.00 C ATOM 136 C VAL A 12 -5.776 3.046 -10.338 1.00 0.00 C ATOM 137 O VAL A 12 -5.716 4.033 -9.604 1.00 0.00 O ATOM 138 CB VAL A 12 -4.636 1.050 -9.367 1.00 0.00 C ATOM 139 CG1 VAL A 12 -5.975 0.328 -9.376 1.00 0.00 C ATOM 140 CG2 VAL A 12 -3.488 0.063 -9.514 1.00 0.00 C ATOM 0 H VAL A 12 -3.149 3.344 -9.587 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.637 1.608 -11.452 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.530 1.556 -8.407 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.993 -0.416 -8.579 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.778 1.048 -9.218 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.115 -0.167 -10.337 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.540 -0.677 -8.716 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.560 -0.438 -10.479 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.539 0.596 -9.453 1.00 0.00 H new ATOM 150 N VAL A 13 -6.860 2.732 -11.040 1.00 0.00 N ATOM 151 CA VAL A 13 -8.068 3.547 -10.987 1.00 0.00 C ATOM 152 C VAL A 13 -9.263 2.727 -10.515 1.00 0.00 C ATOM 153 O VAL A 13 -9.199 1.500 -10.444 1.00 0.00 O ATOM 154 CB VAL A 13 -8.392 4.162 -12.362 1.00 0.00 C ATOM 155 CG1 VAL A 13 -7.476 5.342 -12.647 1.00 0.00 C ATOM 156 CG2 VAL A 13 -8.277 3.111 -13.455 1.00 0.00 C ATOM 0 H VAL A 13 -6.926 1.919 -11.652 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.877 4.350 -10.275 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.419 4.526 -12.346 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.719 5.764 -13.622 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.613 6.103 -11.878 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.439 5.006 -12.645 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.509 3.562 -14.420 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.261 2.716 -13.474 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.978 2.300 -13.256 1.00 0.00 H new ATOM 166 N GLY A 14 -10.356 3.413 -10.194 1.00 0.00 N ATOM 167 CA GLY A 14 -11.551 2.732 -9.733 1.00 0.00 C ATOM 168 C GLY A 14 -12.024 1.669 -10.705 1.00 0.00 C ATOM 169 O GLY A 14 -12.582 0.649 -10.300 1.00 0.00 O ATOM 0 H GLY A 14 -10.435 4.429 -10.245 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.353 2.272 -8.765 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.346 3.462 -9.582 1.00 0.00 H new ATOM 173 N LYS A 15 -11.803 1.908 -11.994 1.00 0.00 N ATOM 174 CA LYS A 15 -12.210 0.964 -13.028 1.00 0.00 C ATOM 175 C LYS A 15 -11.169 -0.138 -13.200 1.00 0.00 C ATOM 176 O LYS A 15 -11.428 -1.156 -13.842 1.00 0.00 O ATOM 177 CB LYS A 15 -12.422 1.693 -14.357 1.00 0.00 C ATOM 178 CG LYS A 15 -11.166 2.362 -14.890 1.00 0.00 C ATOM 179 CD LYS A 15 -11.498 3.606 -15.697 1.00 0.00 C ATOM 180 CE LYS A 15 -11.509 4.850 -14.822 1.00 0.00 C ATOM 181 NZ LYS A 15 -12.771 4.968 -14.040 1.00 0.00 N ATOM 0 H LYS A 15 -11.344 2.748 -12.347 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.149 0.506 -12.718 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.787 0.982 -15.098 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.199 2.447 -14.229 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.514 2.630 -14.058 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.614 1.659 -15.514 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.767 3.728 -16.496 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.472 3.484 -16.171 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.660 4.821 -14.139 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.385 5.734 -15.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.863 5.937 -13.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.582 4.751 -14.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.750 4.298 -13.245 1.00 0.00 H new ATOM 195 N THR A 16 -9.991 0.072 -12.621 1.00 0.00 N ATOM 196 CA THR A 16 -8.912 -0.903 -12.709 1.00 0.00 C ATOM 197 C THR A 16 -8.387 -1.270 -11.326 1.00 0.00 C ATOM 198 O THR A 16 -7.267 -1.762 -11.186 1.00 0.00 O ATOM 199 CB THR A 16 -7.745 -0.373 -13.564 1.00 0.00 C ATOM 200 OG1 THR A 16 -7.102 0.716 -12.894 1.00 0.00 O ATOM 201 CG2 THR A 16 -8.238 0.084 -14.929 1.00 0.00 C ATOM 0 H THR A 16 -9.760 0.909 -12.086 1.00 0.00 H new ATOM 0 HA THR A 16 -9.328 -1.792 -13.184 1.00 0.00 H new ATOM 0 HB THR A 16 -7.030 -1.184 -13.706 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.201 0.838 -13.259 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.396 0.454 -15.515 1.00 0.00 H new ATOM 0 HG22 THR A 16 -8.701 -0.755 -15.448 1.00 0.00 H new ATOM 0 HG23 THR A 16 -8.971 0.881 -14.803 1.00 0.00 H new ATOM 209 N PHE A 17 -9.204 -1.029 -10.306 1.00 0.00 N ATOM 210 CA PHE A 17 -8.822 -1.335 -8.932 1.00 0.00 C ATOM 211 C PHE A 17 -9.109 -2.796 -8.599 1.00 0.00 C ATOM 212 O PHE A 17 -8.213 -3.542 -8.205 1.00 0.00 O ATOM 213 CB PHE A 17 -9.569 -0.422 -7.957 1.00 0.00 C ATOM 214 CG PHE A 17 -9.154 -0.607 -6.525 1.00 0.00 C ATOM 215 CD1 PHE A 17 -8.090 0.108 -6.001 1.00 0.00 C ATOM 216 CD2 PHE A 17 -9.830 -1.495 -5.704 1.00 0.00 C ATOM 217 CE1 PHE A 17 -7.706 -0.061 -4.684 1.00 0.00 C ATOM 218 CE2 PHE A 17 -9.451 -1.668 -4.386 1.00 0.00 C ATOM 219 CZ PHE A 17 -8.388 -0.949 -3.875 1.00 0.00 C ATOM 0 H PHE A 17 -10.134 -0.623 -10.405 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.750 -1.162 -8.833 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.403 0.616 -8.244 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.639 -0.609 -8.044 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.554 0.805 -6.628 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -10.663 -2.059 -6.098 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.873 0.501 -4.288 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -9.985 -2.364 -3.757 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.091 -1.081 -2.845 1.00 0.00 H new ATOM 229 N ASP A 18 -10.366 -3.197 -8.761 1.00 0.00 N ATOM 230 CA ASP A 18 -10.773 -4.569 -8.479 1.00 0.00 C ATOM 231 C ASP A 18 -10.100 -5.544 -9.440 1.00 0.00 C ATOM 232 O ASP A 18 -10.202 -6.759 -9.279 1.00 0.00 O ATOM 233 CB ASP A 18 -12.293 -4.703 -8.579 1.00 0.00 C ATOM 234 CG ASP A 18 -12.992 -4.346 -7.281 1.00 0.00 C ATOM 235 OD1 ASP A 18 -12.717 -3.256 -6.739 1.00 0.00 O ATOM 236 OD2 ASP A 18 -13.814 -5.158 -6.808 1.00 0.00 O ATOM 0 H ASP A 18 -11.120 -2.592 -9.086 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.460 -4.813 -7.464 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.660 -4.056 -9.376 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.547 -5.726 -8.856 1.00 0.00 H new ATOM 241 N ALA A 19 -9.413 -5.002 -10.440 1.00 0.00 N ATOM 242 CA ALA A 19 -8.723 -5.823 -11.427 1.00 0.00 C ATOM 243 C ALA A 19 -7.239 -5.947 -11.096 1.00 0.00 C ATOM 244 O ALA A 19 -6.668 -7.036 -11.164 1.00 0.00 O ATOM 245 CB ALA A 19 -8.908 -5.243 -12.821 1.00 0.00 C ATOM 0 H ALA A 19 -9.319 -3.997 -10.588 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.160 -6.821 -11.401 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.387 -5.867 -13.547 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.970 -5.213 -13.064 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.500 -4.233 -12.852 1.00 0.00 H new ATOM 251 N ILE A 20 -6.621 -4.826 -10.741 1.00 0.00 N ATOM 252 CA ILE A 20 -5.204 -4.811 -10.400 1.00 0.00 C ATOM 253 C ILE A 20 -4.998 -4.965 -8.897 1.00 0.00 C ATOM 254 O ILE A 20 -4.536 -6.005 -8.426 1.00 0.00 O ATOM 255 CB ILE A 20 -4.527 -3.509 -10.868 1.00 0.00 C ATOM 256 CG1 ILE A 20 -4.590 -3.395 -12.393 1.00 0.00 C ATOM 257 CG2 ILE A 20 -3.084 -3.460 -10.387 1.00 0.00 C ATOM 258 CD1 ILE A 20 -4.357 -1.991 -12.904 1.00 0.00 C ATOM 0 H ILE A 20 -7.079 -3.917 -10.682 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.747 -5.656 -10.915 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.062 -2.663 -10.437 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.845 -4.060 -12.830 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.566 -3.740 -12.735 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.619 -2.534 -10.726 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.062 -3.500 -9.298 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.536 -4.311 -10.793 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.416 -1.985 -13.992 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.117 -1.325 -12.496 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.370 -1.650 -12.592 1.00 0.00 H new ATOM 270 N VAL A 21 -5.347 -3.924 -8.147 1.00 0.00 N ATOM 271 CA VAL A 21 -5.203 -3.945 -6.696 1.00 0.00 C ATOM 272 C VAL A 21 -5.823 -5.204 -6.101 1.00 0.00 C ATOM 273 O VAL A 21 -5.424 -5.656 -5.028 1.00 0.00 O ATOM 274 CB VAL A 21 -5.858 -2.709 -6.050 1.00 0.00 C ATOM 275 CG1 VAL A 21 -5.531 -2.647 -4.566 1.00 0.00 C ATOM 276 CG2 VAL A 21 -5.410 -1.439 -6.757 1.00 0.00 C ATOM 0 H VAL A 21 -5.731 -3.056 -8.520 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.134 -3.934 -6.483 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.939 -2.794 -6.156 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.002 -1.768 -4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.906 -3.544 -4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.451 -2.585 -4.434 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.882 -0.576 -6.288 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.327 -1.345 -6.684 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.700 -1.485 -7.807 1.00 0.00 H new ATOM 286 N MET A 22 -6.799 -5.767 -6.805 1.00 0.00 N ATOM 287 CA MET A 22 -7.473 -6.976 -6.347 1.00 0.00 C ATOM 288 C MET A 22 -7.193 -8.144 -7.287 1.00 0.00 C ATOM 289 O MET A 22 -8.080 -8.948 -7.574 1.00 0.00 O ATOM 290 CB MET A 22 -8.980 -6.738 -6.245 1.00 0.00 C ATOM 291 CG MET A 22 -9.360 -5.667 -5.235 1.00 0.00 C ATOM 292 SD MET A 22 -9.157 -6.216 -3.530 1.00 0.00 S ATOM 293 CE MET A 22 -8.557 -4.714 -2.760 1.00 0.00 C ATOM 0 H MET A 22 -7.141 -5.405 -7.695 1.00 0.00 H new ATOM 0 HA MET A 22 -7.085 -7.226 -5.360 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.362 -6.453 -7.225 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.469 -7.673 -5.972 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.747 -4.781 -5.403 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.397 -5.372 -5.397 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.400 -4.888 -1.695 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.615 -4.420 -3.222 1.00 0.00 H new ATOM 0 HE3 MET A 22 -9.290 -3.919 -2.893 1.00 0.00 H new ATOM 303 N ASP A 23 -5.956 -8.231 -7.763 1.00 0.00 N ATOM 304 CA ASP A 23 -5.559 -9.302 -8.670 1.00 0.00 C ATOM 305 C ASP A 23 -5.199 -10.565 -7.895 1.00 0.00 C ATOM 306 O ASP A 23 -4.185 -10.629 -7.200 1.00 0.00 O ATOM 307 CB ASP A 23 -4.373 -8.859 -9.528 1.00 0.00 C ATOM 308 CG ASP A 23 -4.309 -9.594 -10.852 1.00 0.00 C ATOM 309 OD1 ASP A 23 -5.380 -9.839 -11.447 1.00 0.00 O ATOM 310 OD2 ASP A 23 -3.189 -9.923 -11.295 1.00 0.00 O ATOM 0 H ASP A 23 -5.211 -7.573 -7.536 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.404 -9.526 -9.321 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.443 -7.787 -9.714 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.447 -9.027 -8.978 1.00 0.00 H new ATOM 315 N PRO A 24 -6.049 -11.596 -8.015 1.00 0.00 N ATOM 316 CA PRO A 24 -5.842 -12.877 -7.333 1.00 0.00 C ATOM 317 C PRO A 24 -4.663 -13.655 -7.907 1.00 0.00 C ATOM 318 O PRO A 24 -4.446 -14.817 -7.562 1.00 0.00 O ATOM 319 CB PRO A 24 -7.152 -13.628 -7.583 1.00 0.00 C ATOM 320 CG PRO A 24 -7.695 -13.035 -8.837 1.00 0.00 C ATOM 321 CD PRO A 24 -7.278 -11.590 -8.827 1.00 0.00 C ATOM 0 HA PRO A 24 -5.607 -12.743 -6.277 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.980 -14.699 -7.694 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.846 -13.501 -6.752 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.301 -13.549 -9.714 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.780 -13.128 -8.874 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.092 -11.218 -9.835 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.046 -10.953 -8.389 1.00 0.00 H new ATOM 329 N LYS A 25 -3.904 -13.008 -8.785 1.00 0.00 N ATOM 330 CA LYS A 25 -2.746 -13.639 -9.407 1.00 0.00 C ATOM 331 C LYS A 25 -1.468 -13.301 -8.645 1.00 0.00 C ATOM 332 O LYS A 25 -0.567 -14.131 -8.524 1.00 0.00 O ATOM 333 CB LYS A 25 -2.617 -13.191 -10.864 1.00 0.00 C ATOM 334 CG LYS A 25 -3.883 -13.394 -11.677 1.00 0.00 C ATOM 335 CD LYS A 25 -3.577 -13.541 -13.159 1.00 0.00 C ATOM 336 CE LYS A 25 -4.663 -14.328 -13.877 1.00 0.00 C ATOM 337 NZ LYS A 25 -4.140 -15.018 -15.088 1.00 0.00 N ATOM 0 H LYS A 25 -4.070 -12.046 -9.082 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.892 -14.719 -9.377 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.345 -12.136 -10.888 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.802 -13.741 -11.334 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.405 -14.283 -11.323 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.554 -12.548 -11.525 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.482 -12.554 -13.612 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.618 -14.043 -13.286 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.089 -15.064 -13.195 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.471 -13.654 -14.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.911 -15.543 -15.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.757 -14.314 -15.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.387 -15.680 -14.812 1.00 0.00 H new ATOM 351 N LYS A 26 -1.398 -12.078 -8.130 1.00 0.00 N ATOM 352 CA LYS A 26 -0.232 -11.630 -7.377 1.00 0.00 C ATOM 353 C LYS A 26 -0.609 -10.522 -6.400 1.00 0.00 C ATOM 354 O LYS A 26 -1.655 -9.887 -6.539 1.00 0.00 O ATOM 355 CB LYS A 26 0.858 -11.135 -8.331 1.00 0.00 C ATOM 356 CG LYS A 26 0.367 -10.102 -9.331 1.00 0.00 C ATOM 357 CD LYS A 26 1.514 -9.271 -9.882 1.00 0.00 C ATOM 358 CE LYS A 26 2.238 -9.995 -11.006 1.00 0.00 C ATOM 359 NZ LYS A 26 3.642 -9.522 -11.158 1.00 0.00 N ATOM 0 H LYS A 26 -2.135 -11.379 -8.220 1.00 0.00 H new ATOM 0 HA LYS A 26 0.150 -12.478 -6.808 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.672 -10.705 -7.748 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.269 -11.987 -8.873 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.147 -10.603 -10.151 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.361 -9.447 -8.852 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.131 -8.319 -10.249 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.218 -9.044 -9.081 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.236 -11.067 -10.808 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.700 -9.842 -11.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.211 -10.264 -11.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.658 -8.665 -11.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.039 -9.306 -10.221 1.00 0.00 H new ATOM 373 N ASP A 27 0.250 -10.293 -5.412 1.00 0.00 N ATOM 374 CA ASP A 27 0.008 -9.260 -4.412 1.00 0.00 C ATOM 375 C ASP A 27 0.380 -7.883 -4.954 1.00 0.00 C ATOM 376 O ASP A 27 1.511 -7.658 -5.384 1.00 0.00 O ATOM 377 CB ASP A 27 0.805 -9.553 -3.140 1.00 0.00 C ATOM 378 CG ASP A 27 1.019 -11.038 -2.921 1.00 0.00 C ATOM 379 OD1 ASP A 27 0.104 -11.696 -2.384 1.00 0.00 O ATOM 380 OD2 ASP A 27 2.102 -11.542 -3.286 1.00 0.00 O ATOM 0 H ASP A 27 1.120 -10.809 -5.283 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.055 -9.263 -4.173 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.772 -9.054 -3.198 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.281 -9.134 -2.281 1.00 0.00 H new ATOM 385 N VAL A 28 -0.581 -6.964 -4.930 1.00 0.00 N ATOM 386 CA VAL A 28 -0.355 -5.609 -5.419 1.00 0.00 C ATOM 387 C VAL A 28 -0.371 -4.602 -4.274 1.00 0.00 C ATOM 388 O VAL A 28 -1.362 -4.482 -3.552 1.00 0.00 O ATOM 389 CB VAL A 28 -1.416 -5.203 -6.459 1.00 0.00 C ATOM 390 CG1 VAL A 28 -1.238 -3.748 -6.864 1.00 0.00 C ATOM 391 CG2 VAL A 28 -1.345 -6.115 -7.675 1.00 0.00 C ATOM 0 H VAL A 28 -1.523 -7.133 -4.577 1.00 0.00 H new ATOM 0 HA VAL A 28 0.627 -5.603 -5.891 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.402 -5.312 -6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.997 -3.480 -7.599 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.342 -3.111 -5.986 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.248 -3.610 -7.297 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.101 -5.814 -8.400 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.357 -6.040 -8.129 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.526 -7.145 -7.368 1.00 0.00 H new ATOM 401 N LEU A 29 0.732 -3.880 -4.113 1.00 0.00 N ATOM 402 CA LEU A 29 0.846 -2.882 -3.056 1.00 0.00 C ATOM 403 C LEU A 29 0.235 -1.554 -3.492 1.00 0.00 C ATOM 404 O LEU A 29 0.841 -0.803 -4.257 1.00 0.00 O ATOM 405 CB LEU A 29 2.313 -2.680 -2.673 1.00 0.00 C ATOM 406 CG LEU A 29 2.590 -1.616 -1.610 1.00 0.00 C ATOM 407 CD1 LEU A 29 2.236 -2.139 -0.227 1.00 0.00 C ATOM 408 CD2 LEU A 29 4.046 -1.178 -1.661 1.00 0.00 C ATOM 0 H LEU A 29 1.561 -3.967 -4.701 1.00 0.00 H new ATOM 0 HA LEU A 29 0.297 -3.246 -2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.709 -3.631 -2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.870 -2.419 -3.573 1.00 0.00 H new ATOM 0 HG LEU A 29 1.964 -0.749 -1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.440 -1.368 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.179 -2.402 -0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.836 -3.022 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.225 -0.421 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.691 -2.037 -1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.267 -0.762 -2.644 1.00 0.00 H new ATOM 420 N ILE A 30 -0.966 -1.271 -3.000 1.00 0.00 N ATOM 421 CA ILE A 30 -1.656 -0.032 -3.336 1.00 0.00 C ATOM 422 C ILE A 30 -1.353 1.061 -2.317 1.00 0.00 C ATOM 423 O ILE A 30 -1.468 0.847 -1.111 1.00 0.00 O ATOM 424 CB ILE A 30 -3.180 -0.240 -3.412 1.00 0.00 C ATOM 425 CG1 ILE A 30 -3.860 1.008 -3.980 1.00 0.00 C ATOM 426 CG2 ILE A 30 -3.738 -0.574 -2.036 1.00 0.00 C ATOM 427 CD1 ILE A 30 -3.326 1.424 -5.333 1.00 0.00 C ATOM 0 H ILE A 30 -1.482 -1.883 -2.367 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.290 0.277 -4.315 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.385 -1.077 -4.079 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.931 0.823 -4.062 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.732 1.833 -3.279 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.816 -0.718 -2.106 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.273 -1.488 -1.667 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.525 0.245 -1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.853 2.315 -5.674 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.261 1.641 -5.253 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.478 0.616 -6.048 1.00 0.00 H new ATOM 439 N GLU A 31 -0.968 2.233 -2.811 1.00 0.00 N ATOM 440 CA GLU A 31 -0.650 3.360 -1.943 1.00 0.00 C ATOM 441 C GLU A 31 -1.532 4.563 -2.266 1.00 0.00 C ATOM 442 O GLU A 31 -1.369 5.205 -3.303 1.00 0.00 O ATOM 443 CB GLU A 31 0.825 3.743 -2.086 1.00 0.00 C ATOM 444 CG GLU A 31 1.238 4.913 -1.210 1.00 0.00 C ATOM 445 CD GLU A 31 0.866 6.254 -1.813 1.00 0.00 C ATOM 446 OE1 GLU A 31 1.535 6.674 -2.780 1.00 0.00 O ATOM 447 OE2 GLU A 31 -0.093 6.882 -1.319 1.00 0.00 O ATOM 0 H GLU A 31 -0.869 2.427 -3.808 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.842 3.057 -0.914 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.442 2.879 -1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.028 3.991 -3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.765 4.815 -0.233 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.315 4.878 -1.048 1.00 0.00 H new ATOM 454 N PHE A 32 -2.468 4.860 -1.371 1.00 0.00 N ATOM 455 CA PHE A 32 -3.378 5.984 -1.561 1.00 0.00 C ATOM 456 C PHE A 32 -2.670 7.308 -1.292 1.00 0.00 C ATOM 457 O PHE A 32 -2.384 7.651 -0.144 1.00 0.00 O ATOM 458 CB PHE A 32 -4.592 5.846 -0.639 1.00 0.00 C ATOM 459 CG PHE A 32 -5.315 4.538 -0.793 1.00 0.00 C ATOM 460 CD1 PHE A 32 -5.998 4.242 -1.961 1.00 0.00 C ATOM 461 CD2 PHE A 32 -5.311 3.605 0.232 1.00 0.00 C ATOM 462 CE1 PHE A 32 -6.664 3.039 -2.106 1.00 0.00 C ATOM 463 CE2 PHE A 32 -5.975 2.401 0.093 1.00 0.00 C ATOM 464 CZ PHE A 32 -6.653 2.118 -1.077 1.00 0.00 C ATOM 0 H PHE A 32 -2.616 4.338 -0.507 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.714 5.976 -2.598 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.267 5.953 0.396 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.286 6.662 -0.841 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.011 4.959 -2.768 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.783 3.821 1.149 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.192 2.820 -3.022 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -5.964 1.682 0.899 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.174 1.178 -1.187 1.00 0.00 H new ATOM 474 N TYR A 33 -2.389 8.049 -2.358 1.00 0.00 N ATOM 475 CA TYR A 33 -1.712 9.335 -2.239 1.00 0.00 C ATOM 476 C TYR A 33 -2.665 10.484 -2.551 1.00 0.00 C ATOM 477 O TYR A 33 -3.660 10.306 -3.253 1.00 0.00 O ATOM 478 CB TYR A 33 -0.506 9.388 -3.179 1.00 0.00 C ATOM 479 CG TYR A 33 -0.881 9.495 -4.640 1.00 0.00 C ATOM 480 CD1 TYR A 33 -1.117 10.731 -5.229 1.00 0.00 C ATOM 481 CD2 TYR A 33 -1.001 8.359 -5.431 1.00 0.00 C ATOM 482 CE1 TYR A 33 -1.461 10.833 -6.563 1.00 0.00 C ATOM 483 CE2 TYR A 33 -1.343 8.452 -6.767 1.00 0.00 C ATOM 484 CZ TYR A 33 -1.572 9.691 -7.328 1.00 0.00 C ATOM 485 OH TYR A 33 -1.914 9.787 -8.657 1.00 0.00 O ATOM 0 H TYR A 33 -2.620 7.781 -3.315 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.368 9.442 -1.210 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.117 10.241 -2.909 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.098 8.493 -3.032 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.030 11.628 -4.633 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.824 7.387 -4.995 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.642 11.802 -7.004 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.430 7.559 -7.368 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.632 9.150 -8.857 1.00 0.00 H new ATOM 495 N ALA A 34 -2.353 11.663 -2.023 1.00 0.00 N ATOM 496 CA ALA A 34 -3.179 12.843 -2.246 1.00 0.00 C ATOM 497 C ALA A 34 -2.365 13.974 -2.865 1.00 0.00 C ATOM 498 O ALA A 34 -1.312 14.362 -2.360 1.00 0.00 O ATOM 499 CB ALA A 34 -3.812 13.299 -0.940 1.00 0.00 C ATOM 0 H ALA A 34 -1.534 11.826 -1.438 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.970 12.575 -2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.426 14.181 -1.122 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.435 12.500 -0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.029 13.544 -0.222 1.00 0.00 H new ATOM 505 N PRO A 35 -2.862 14.517 -3.987 1.00 0.00 N ATOM 506 CA PRO A 35 -2.197 15.611 -4.699 1.00 0.00 C ATOM 507 C PRO A 35 -2.249 16.924 -3.924 1.00 0.00 C ATOM 508 O PRO A 35 -1.768 17.954 -4.396 1.00 0.00 O ATOM 509 CB PRO A 35 -2.996 15.726 -6.000 1.00 0.00 C ATOM 510 CG PRO A 35 -4.343 15.184 -5.666 1.00 0.00 C ATOM 511 CD PRO A 35 -4.113 14.104 -4.646 1.00 0.00 C ATOM 0 HA PRO A 35 -1.136 15.412 -4.851 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -3.058 16.761 -6.336 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.528 15.157 -6.804 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.990 15.965 -5.268 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.834 14.785 -6.553 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.938 14.039 -3.937 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.016 13.124 -5.113 1.00 0.00 H new ATOM 519 N TRP A 36 -2.835 16.879 -2.733 1.00 0.00 N ATOM 520 CA TRP A 36 -2.949 18.065 -1.893 1.00 0.00 C ATOM 521 C TRP A 36 -2.286 17.839 -0.538 1.00 0.00 C ATOM 522 O TRP A 36 -2.568 18.549 0.427 1.00 0.00 O ATOM 523 CB TRP A 36 -4.420 18.438 -1.699 1.00 0.00 C ATOM 524 CG TRP A 36 -5.309 17.253 -1.475 1.00 0.00 C ATOM 525 CD1 TRP A 36 -6.093 16.630 -2.403 1.00 0.00 C ATOM 526 CD2 TRP A 36 -5.505 16.550 -0.243 1.00 0.00 C ATOM 527 NE1 TRP A 36 -6.766 15.581 -1.822 1.00 0.00 N ATOM 528 CE2 TRP A 36 -6.422 15.511 -0.498 1.00 0.00 C ATOM 529 CE3 TRP A 36 -4.995 16.696 1.050 1.00 0.00 C ATOM 530 CZ2 TRP A 36 -6.837 14.626 0.493 1.00 0.00 C ATOM 531 CZ3 TRP A 36 -5.409 15.816 2.032 1.00 0.00 C ATOM 532 CH2 TRP A 36 -6.322 14.792 1.750 1.00 0.00 C ATOM 0 H TRP A 36 -3.238 16.034 -2.328 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.436 18.886 -2.395 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.507 19.114 -0.848 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.768 18.983 -2.576 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.173 16.919 -3.441 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.416 14.956 -2.299 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.290 17.482 1.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.541 13.836 0.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.022 15.920 3.035 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.625 14.121 2.540 1.00 0.00 H new ATOM 543 N CYS A 37 -1.405 16.847 -0.474 1.00 0.00 N ATOM 544 CA CYS A 37 -0.703 16.527 0.763 1.00 0.00 C ATOM 545 C CYS A 37 0.806 16.649 0.579 1.00 0.00 C ATOM 546 O CYS A 37 1.370 16.120 -0.377 1.00 0.00 O ATOM 547 CB CYS A 37 -1.059 15.113 1.226 1.00 0.00 C ATOM 548 SG CYS A 37 -0.402 14.681 2.854 1.00 0.00 S ATOM 0 H CYS A 37 -1.160 16.251 -1.264 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.017 17.241 1.524 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.144 15.011 1.245 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.685 14.398 0.494 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.856 13.516 3.210 1.00 0.00 H new ATOM 554 N GLY A 38 1.455 17.354 1.502 1.00 0.00 N ATOM 555 CA GLY A 38 2.892 17.535 1.422 1.00 0.00 C ATOM 556 C GLY A 38 3.654 16.250 1.681 1.00 0.00 C ATOM 557 O GLY A 38 4.628 15.948 0.992 1.00 0.00 O ATOM 0 H GLY A 38 1.011 17.802 2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.153 17.915 0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.201 18.289 2.146 1.00 0.00 H new ATOM 561 N HIS A 39 3.211 15.493 2.679 1.00 0.00 N ATOM 562 CA HIS A 39 3.859 14.233 3.029 1.00 0.00 C ATOM 563 C HIS A 39 4.068 13.368 1.790 1.00 0.00 C ATOM 564 O HIS A 39 5.097 12.705 1.650 1.00 0.00 O ATOM 565 CB HIS A 39 3.023 13.474 4.060 1.00 0.00 C ATOM 566 CG HIS A 39 2.842 14.217 5.348 1.00 0.00 C ATOM 567 ND1 HIS A 39 3.839 14.971 5.928 1.00 0.00 N ATOM 568 CD2 HIS A 39 1.769 14.320 6.168 1.00 0.00 C ATOM 569 CE1 HIS A 39 3.389 15.505 7.050 1.00 0.00 C ATOM 570 NE2 HIS A 39 2.135 15.125 7.218 1.00 0.00 N ATOM 0 H HIS A 39 2.406 15.729 3.260 1.00 0.00 H new ATOM 0 HA HIS A 39 4.834 14.461 3.460 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.043 13.258 3.634 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.499 12.515 4.267 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.805 13.855 6.023 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.951 16.143 7.716 1.00 0.00 H new ATOM 0 HE2 HIS A 39 1.536 15.387 8.001 1.00 0.00 H new ATOM 579 N CYS A 40 3.087 13.378 0.895 1.00 0.00 N ATOM 580 CA CYS A 40 3.163 12.593 -0.332 1.00 0.00 C ATOM 581 C CYS A 40 4.313 13.070 -1.213 1.00 0.00 C ATOM 582 O CYS A 40 4.927 12.282 -1.932 1.00 0.00 O ATOM 583 CB CYS A 40 1.845 12.681 -1.102 1.00 0.00 C ATOM 584 SG CYS A 40 1.990 12.296 -2.862 1.00 0.00 S ATOM 0 H CYS A 40 2.229 13.921 0.996 1.00 0.00 H new ATOM 0 HA CYS A 40 3.346 11.554 -0.058 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.126 11.998 -0.650 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.440 13.687 -0.994 1.00 0.00 H new ATOM 0 HG CYS A 40 3.126 11.705 -3.085 1.00 0.00 H new ATOM 590 N LYS A 41 4.599 14.366 -1.152 1.00 0.00 N ATOM 591 CA LYS A 41 5.675 14.951 -1.944 1.00 0.00 C ATOM 592 C LYS A 41 7.024 14.356 -1.552 1.00 0.00 C ATOM 593 O LYS A 41 7.800 13.938 -2.411 1.00 0.00 O ATOM 594 CB LYS A 41 5.703 16.470 -1.761 1.00 0.00 C ATOM 595 CG LYS A 41 4.391 17.149 -2.113 1.00 0.00 C ATOM 596 CD LYS A 41 4.590 18.625 -2.416 1.00 0.00 C ATOM 597 CE LYS A 41 5.118 19.377 -1.204 1.00 0.00 C ATOM 598 NZ LYS A 41 6.587 19.198 -1.036 1.00 0.00 N ATOM 0 H LYS A 41 4.100 15.032 -0.562 1.00 0.00 H new ATOM 0 HA LYS A 41 5.487 14.721 -2.993 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.954 16.698 -0.725 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.496 16.888 -2.381 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.946 16.656 -2.977 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.690 17.038 -1.286 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.287 18.736 -3.246 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.644 19.063 -2.733 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.891 20.438 -1.308 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.605 19.028 -0.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.018 20.104 -0.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.768 18.490 -0.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.002 18.875 -1.933 1.00 0.00 H new ATOM 612 N GLN A 42 7.294 14.320 -0.252 1.00 0.00 N ATOM 613 CA GLN A 42 8.549 13.775 0.253 1.00 0.00 C ATOM 614 C GLN A 42 8.611 12.266 0.041 1.00 0.00 C ATOM 615 O GLN A 42 9.691 11.674 0.029 1.00 0.00 O ATOM 616 CB GLN A 42 8.711 14.101 1.738 1.00 0.00 C ATOM 617 CG GLN A 42 8.062 13.081 2.659 1.00 0.00 C ATOM 618 CD GLN A 42 8.494 13.240 4.103 1.00 0.00 C ATOM 619 OE1 GLN A 42 9.578 13.751 4.386 1.00 0.00 O ATOM 620 NE2 GLN A 42 7.647 12.802 5.027 1.00 0.00 N ATOM 0 H GLN A 42 6.661 14.662 0.471 1.00 0.00 H new ATOM 0 HA GLN A 42 9.366 14.236 -0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.773 14.167 1.973 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.280 15.082 1.935 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.978 13.178 2.595 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.313 12.077 2.317 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.759 12.385 4.748 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.884 12.883 6.016 1.00 0.00 H new ATOM 629 N LEU A 43 7.447 11.649 -0.124 1.00 0.00 N ATOM 630 CA LEU A 43 7.368 10.207 -0.335 1.00 0.00 C ATOM 631 C LEU A 43 7.286 9.878 -1.822 1.00 0.00 C ATOM 632 O LEU A 43 7.502 8.736 -2.227 1.00 0.00 O ATOM 633 CB LEU A 43 6.154 9.631 0.395 1.00 0.00 C ATOM 634 CG LEU A 43 5.924 8.128 0.232 1.00 0.00 C ATOM 635 CD1 LEU A 43 6.963 7.341 1.016 1.00 0.00 C ATOM 636 CD2 LEU A 43 4.519 7.752 0.678 1.00 0.00 C ATOM 0 H LEU A 43 6.544 12.124 -0.116 1.00 0.00 H new ATOM 0 HA LEU A 43 8.274 9.755 0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.257 9.849 1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.264 10.154 0.047 1.00 0.00 H new ATOM 0 HG LEU A 43 6.028 7.876 -0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.784 6.274 0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.959 7.588 0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.892 7.597 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.373 6.679 0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.387 8.018 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.789 8.289 0.072 1.00 0.00 H new ATOM 648 N GLU A 44 6.973 10.887 -2.630 1.00 0.00 N ATOM 649 CA GLU A 44 6.864 10.704 -4.073 1.00 0.00 C ATOM 650 C GLU A 44 8.064 9.933 -4.616 1.00 0.00 C ATOM 651 O GLU A 44 7.926 8.891 -5.257 1.00 0.00 O ATOM 652 CB GLU A 44 6.754 12.059 -4.774 1.00 0.00 C ATOM 653 CG GLU A 44 5.322 12.515 -4.995 1.00 0.00 C ATOM 654 CD GLU A 44 4.447 11.426 -5.586 1.00 0.00 C ATOM 655 OE1 GLU A 44 4.514 11.212 -6.814 1.00 0.00 O ATOM 656 OE2 GLU A 44 3.696 10.789 -4.818 1.00 0.00 O ATOM 0 H GLU A 44 6.791 11.838 -2.310 1.00 0.00 H new ATOM 0 HA GLU A 44 5.962 10.125 -4.273 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.278 12.809 -4.181 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.261 12.003 -5.737 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.898 12.841 -4.045 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.318 13.379 -5.659 1.00 0.00 H new ATOM 663 N PRO A 45 9.271 10.457 -4.355 1.00 0.00 N ATOM 664 CA PRO A 45 10.518 9.836 -4.808 1.00 0.00 C ATOM 665 C PRO A 45 10.817 8.533 -4.074 1.00 0.00 C ATOM 666 O PRO A 45 11.291 7.567 -4.673 1.00 0.00 O ATOM 667 CB PRO A 45 11.579 10.890 -4.479 1.00 0.00 C ATOM 668 CG PRO A 45 10.994 11.679 -3.360 1.00 0.00 C ATOM 669 CD PRO A 45 9.510 11.697 -3.596 1.00 0.00 C ATOM 0 HA PRO A 45 10.478 9.565 -5.863 1.00 0.00 H new ATOM 0 HB2 PRO A 45 12.521 10.426 -4.186 1.00 0.00 H new ATOM 0 HB3 PRO A 45 11.790 11.522 -5.341 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.230 11.225 -2.398 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.399 12.691 -3.343 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.954 11.708 -2.659 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.203 12.578 -4.159 1.00 0.00 H new ATOM 677 N ILE A 46 10.537 8.513 -2.775 1.00 0.00 N ATOM 678 CA ILE A 46 10.774 7.327 -1.961 1.00 0.00 C ATOM 679 C ILE A 46 9.986 6.132 -2.487 1.00 0.00 C ATOM 680 O ILE A 46 10.500 5.015 -2.549 1.00 0.00 O ATOM 681 CB ILE A 46 10.394 7.571 -0.489 1.00 0.00 C ATOM 682 CG1 ILE A 46 11.275 8.667 0.114 1.00 0.00 C ATOM 683 CG2 ILE A 46 10.522 6.282 0.311 1.00 0.00 C ATOM 684 CD1 ILE A 46 10.742 9.224 1.415 1.00 0.00 C ATOM 0 H ILE A 46 10.146 9.304 -2.264 1.00 0.00 H new ATOM 0 HA ILE A 46 11.840 7.110 -2.022 1.00 0.00 H new ATOM 0 HB ILE A 46 9.356 7.902 -0.447 1.00 0.00 H new ATOM 0 HG12 ILE A 46 12.275 8.267 0.282 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.374 9.479 -0.606 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.250 6.470 1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.857 5.527 -0.107 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.551 5.925 0.264 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.417 9.996 1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.755 9.655 1.249 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.669 8.423 2.151 1.00 0.00 H new ATOM 696 N TYR A 47 8.737 6.376 -2.867 1.00 0.00 N ATOM 697 CA TYR A 47 7.877 5.319 -3.388 1.00 0.00 C ATOM 698 C TYR A 47 8.290 4.929 -4.804 1.00 0.00 C ATOM 699 O TYR A 47 8.215 3.761 -5.187 1.00 0.00 O ATOM 700 CB TYR A 47 6.416 5.771 -3.377 1.00 0.00 C ATOM 701 CG TYR A 47 5.430 4.629 -3.281 1.00 0.00 C ATOM 702 CD1 TYR A 47 5.419 3.786 -2.176 1.00 0.00 C ATOM 703 CD2 TYR A 47 4.509 4.393 -4.294 1.00 0.00 C ATOM 704 CE1 TYR A 47 4.520 2.741 -2.084 1.00 0.00 C ATOM 705 CE2 TYR A 47 3.605 3.351 -4.210 1.00 0.00 C ATOM 706 CZ TYR A 47 3.615 2.528 -3.103 1.00 0.00 C ATOM 707 OH TYR A 47 2.718 1.489 -3.015 1.00 0.00 O ATOM 0 H TYR A 47 8.297 7.295 -2.824 1.00 0.00 H new ATOM 0 HA TYR A 47 7.986 4.446 -2.744 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.260 6.447 -2.536 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.213 6.340 -4.285 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.125 3.951 -1.376 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.499 5.035 -5.162 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.526 2.094 -1.219 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.895 3.182 -5.006 1.00 0.00 H new ATOM 0 HH TYR A 47 2.151 1.478 -3.814 1.00 0.00 H new ATOM 717 N THR A 48 8.729 5.916 -5.579 1.00 0.00 N ATOM 718 CA THR A 48 9.155 5.678 -6.952 1.00 0.00 C ATOM 719 C THR A 48 10.176 4.549 -7.024 1.00 0.00 C ATOM 720 O THR A 48 9.916 3.501 -7.613 1.00 0.00 O ATOM 721 CB THR A 48 9.764 6.947 -7.579 1.00 0.00 C ATOM 722 OG1 THR A 48 8.786 7.992 -7.617 1.00 0.00 O ATOM 723 CG2 THR A 48 10.268 6.666 -8.987 1.00 0.00 C ATOM 0 H THR A 48 8.799 6.888 -5.279 1.00 0.00 H new ATOM 0 HA THR A 48 8.265 5.395 -7.514 1.00 0.00 H new ATOM 0 HB THR A 48 10.607 7.261 -6.964 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.750 8.438 -6.745 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.694 7.576 -9.410 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.033 5.890 -8.952 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.439 6.330 -9.610 1.00 0.00 H new ATOM 731 N SER A 49 11.339 4.770 -6.419 1.00 0.00 N ATOM 732 CA SER A 49 12.402 3.771 -6.417 1.00 0.00 C ATOM 733 C SER A 49 11.906 2.452 -5.833 1.00 0.00 C ATOM 734 O SER A 49 12.311 1.374 -6.272 1.00 0.00 O ATOM 735 CB SER A 49 13.604 4.277 -5.617 1.00 0.00 C ATOM 736 OG SER A 49 13.994 5.570 -6.044 1.00 0.00 O ATOM 0 H SER A 49 11.569 5.632 -5.924 1.00 0.00 H new ATOM 0 HA SER A 49 12.708 3.599 -7.449 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.354 4.301 -4.556 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.439 3.586 -5.733 1.00 0.00 H new ATOM 0 HG SER A 49 14.763 5.871 -5.516 1.00 0.00 H new ATOM 742 N LEU A 50 11.027 2.544 -4.841 1.00 0.00 N ATOM 743 CA LEU A 50 10.474 1.359 -4.196 1.00 0.00 C ATOM 744 C LEU A 50 9.754 0.474 -5.208 1.00 0.00 C ATOM 745 O LEU A 50 9.633 -0.735 -5.015 1.00 0.00 O ATOM 746 CB LEU A 50 9.511 1.764 -3.079 1.00 0.00 C ATOM 747 CG LEU A 50 9.024 0.635 -2.170 1.00 0.00 C ATOM 748 CD1 LEU A 50 10.049 0.342 -1.086 1.00 0.00 C ATOM 749 CD2 LEU A 50 7.679 0.991 -1.552 1.00 0.00 C ATOM 0 H LEU A 50 10.682 3.428 -4.466 1.00 0.00 H new ATOM 0 HA LEU A 50 11.299 0.791 -3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.000 2.516 -2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.641 2.240 -3.532 1.00 0.00 H new ATOM 0 HG LEU A 50 8.898 -0.263 -2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.685 -0.464 -0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.991 0.043 -1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.208 1.237 -0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.347 0.176 -0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.779 1.902 -0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.946 1.150 -2.343 1.00 0.00 H new ATOM 761 N GLY A 51 9.278 1.085 -6.288 1.00 0.00 N ATOM 762 CA GLY A 51 8.578 0.337 -7.316 1.00 0.00 C ATOM 763 C GLY A 51 9.488 -0.075 -8.456 1.00 0.00 C ATOM 764 O GLY A 51 9.540 -1.248 -8.826 1.00 0.00 O ATOM 0 H GLY A 51 9.365 2.085 -6.470 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.131 -0.553 -6.873 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.761 0.942 -7.708 1.00 0.00 H new ATOM 768 N LYS A 52 10.207 0.892 -9.015 1.00 0.00 N ATOM 769 CA LYS A 52 11.120 0.625 -10.120 1.00 0.00 C ATOM 770 C LYS A 52 12.133 -0.451 -9.742 1.00 0.00 C ATOM 771 O LYS A 52 12.717 -1.102 -10.609 1.00 0.00 O ATOM 772 CB LYS A 52 11.851 1.907 -10.527 1.00 0.00 C ATOM 773 CG LYS A 52 13.144 2.138 -9.764 1.00 0.00 C ATOM 774 CD LYS A 52 13.668 3.550 -9.969 1.00 0.00 C ATOM 775 CE LYS A 52 14.482 3.662 -11.249 1.00 0.00 C ATOM 776 NZ LYS A 52 13.617 3.899 -12.437 1.00 0.00 N ATOM 0 H LYS A 52 10.175 1.868 -8.721 1.00 0.00 H new ATOM 0 HA LYS A 52 10.532 0.265 -10.964 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.071 1.867 -11.594 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.189 2.758 -10.370 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.977 1.962 -8.701 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.895 1.419 -10.092 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.831 4.248 -10.006 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.285 3.837 -9.118 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.199 4.477 -11.153 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.057 2.748 -11.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.756 3.133 -13.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.620 3.922 -12.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.870 4.808 -12.875 1.00 0.00 H new ATOM 790 N LYS A 53 12.336 -0.635 -8.442 1.00 0.00 N ATOM 791 CA LYS A 53 13.276 -1.634 -7.948 1.00 0.00 C ATOM 792 C LYS A 53 12.570 -2.961 -7.684 1.00 0.00 C ATOM 793 O LYS A 53 13.092 -4.028 -8.009 1.00 0.00 O ATOM 794 CB LYS A 53 13.950 -1.140 -6.666 1.00 0.00 C ATOM 795 CG LYS A 53 13.104 -1.333 -5.420 1.00 0.00 C ATOM 796 CD LYS A 53 13.625 -0.503 -4.258 1.00 0.00 C ATOM 797 CE LYS A 53 15.085 -0.810 -3.963 1.00 0.00 C ATOM 798 NZ LYS A 53 15.267 -2.197 -3.453 1.00 0.00 N ATOM 0 H LYS A 53 11.862 -0.105 -7.711 1.00 0.00 H new ATOM 0 HA LYS A 53 14.036 -1.792 -8.713 1.00 0.00 H new ATOM 0 HB2 LYS A 53 14.896 -1.666 -6.537 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.186 -0.081 -6.774 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.072 -1.055 -5.633 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.099 -2.387 -5.142 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.514 0.557 -4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.024 -0.701 -3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.675 -0.676 -4.870 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.464 -0.100 -3.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.268 -2.351 -3.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.684 -2.333 -2.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.976 -2.877 -4.184 1.00 0.00 H new ATOM 812 N TYR A 54 11.382 -2.887 -7.095 1.00 0.00 N ATOM 813 CA TYR A 54 10.606 -4.083 -6.787 1.00 0.00 C ATOM 814 C TYR A 54 9.875 -4.591 -8.026 1.00 0.00 C ATOM 815 O TYR A 54 9.231 -5.640 -7.995 1.00 0.00 O ATOM 816 CB TYR A 54 9.601 -3.790 -5.672 1.00 0.00 C ATOM 817 CG TYR A 54 10.164 -3.988 -4.283 1.00 0.00 C ATOM 818 CD1 TYR A 54 10.957 -3.015 -3.688 1.00 0.00 C ATOM 819 CD2 TYR A 54 9.902 -5.148 -3.564 1.00 0.00 C ATOM 820 CE1 TYR A 54 11.473 -3.192 -2.419 1.00 0.00 C ATOM 821 CE2 TYR A 54 10.413 -5.333 -2.294 1.00 0.00 C ATOM 822 CZ TYR A 54 11.199 -4.352 -1.726 1.00 0.00 C ATOM 823 OH TYR A 54 11.711 -4.532 -0.462 1.00 0.00 O ATOM 0 H TYR A 54 10.935 -2.012 -6.821 1.00 0.00 H new ATOM 0 HA TYR A 54 11.296 -4.857 -6.451 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.251 -2.762 -5.770 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.732 -4.436 -5.798 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.174 -2.104 -4.227 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.288 -5.919 -4.006 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.088 -2.425 -1.972 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.198 -6.240 -1.749 1.00 0.00 H new ATOM 0 HH TYR A 54 11.101 -5.093 0.061 1.00 0.00 H new ATOM 833 N LYS A 55 9.979 -3.840 -9.117 1.00 0.00 N ATOM 834 CA LYS A 55 9.331 -4.212 -10.368 1.00 0.00 C ATOM 835 C LYS A 55 9.817 -5.576 -10.848 1.00 0.00 C ATOM 836 O LYS A 55 9.081 -6.314 -11.501 1.00 0.00 O ATOM 837 CB LYS A 55 9.602 -3.156 -11.442 1.00 0.00 C ATOM 838 CG LYS A 55 10.970 -3.284 -12.090 1.00 0.00 C ATOM 839 CD LYS A 55 11.047 -2.504 -13.391 1.00 0.00 C ATOM 840 CE LYS A 55 10.939 -1.006 -13.149 1.00 0.00 C ATOM 841 NZ LYS A 55 10.907 -0.239 -14.425 1.00 0.00 N ATOM 0 H LYS A 55 10.507 -2.968 -9.160 1.00 0.00 H new ATOM 0 HA LYS A 55 8.258 -4.270 -10.188 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.836 -3.230 -12.214 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.512 -2.165 -10.996 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.734 -2.922 -11.402 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.186 -4.335 -12.282 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.988 -2.726 -13.894 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.246 -2.825 -14.057 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.036 -0.795 -12.576 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.784 -0.674 -12.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.833 0.777 -14.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.780 -0.420 -14.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.086 -0.538 -14.989 1.00 0.00 H new ATOM 855 N GLY A 56 11.062 -5.905 -10.518 1.00 0.00 N ATOM 856 CA GLY A 56 11.625 -7.181 -10.922 1.00 0.00 C ATOM 857 C GLY A 56 11.544 -8.224 -9.825 1.00 0.00 C ATOM 858 O GLY A 56 12.482 -8.995 -9.624 1.00 0.00 O ATOM 0 H GLY A 56 11.691 -5.311 -9.978 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.098 -7.544 -11.804 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.667 -7.040 -11.209 1.00 0.00 H new ATOM 862 N GLN A 57 10.422 -8.246 -9.113 1.00 0.00 N ATOM 863 CA GLN A 57 10.225 -9.201 -8.029 1.00 0.00 C ATOM 864 C GLN A 57 9.341 -10.360 -8.479 1.00 0.00 C ATOM 865 O GLN A 57 8.972 -10.456 -9.649 1.00 0.00 O ATOM 866 CB GLN A 57 9.599 -8.507 -6.818 1.00 0.00 C ATOM 867 CG GLN A 57 10.621 -7.928 -5.853 1.00 0.00 C ATOM 868 CD GLN A 57 11.059 -8.926 -4.798 1.00 0.00 C ATOM 869 OE1 GLN A 57 12.001 -9.691 -5.004 1.00 0.00 O ATOM 870 NE2 GLN A 57 10.375 -8.922 -3.660 1.00 0.00 N ATOM 0 H GLN A 57 9.636 -7.614 -9.267 1.00 0.00 H new ATOM 0 HA GLN A 57 11.200 -9.599 -7.747 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.946 -7.707 -7.166 1.00 0.00 H new ATOM 0 HB3 GLN A 57 8.972 -9.221 -6.285 1.00 0.00 H new ATOM 0 HG2 GLN A 57 11.493 -7.591 -6.413 1.00 0.00 H new ATOM 0 HG3 GLN A 57 10.197 -7.051 -5.364 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.601 -8.270 -3.533 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.624 -9.571 -2.913 1.00 0.00 H new ATOM 879 N LYS A 58 9.005 -11.240 -7.541 1.00 0.00 N ATOM 880 CA LYS A 58 8.164 -12.393 -7.839 1.00 0.00 C ATOM 881 C LYS A 58 6.700 -12.091 -7.537 1.00 0.00 C ATOM 882 O LYS A 58 6.331 -11.847 -6.387 1.00 0.00 O ATOM 883 CB LYS A 58 8.623 -13.608 -7.030 1.00 0.00 C ATOM 884 CG LYS A 58 10.043 -14.047 -7.344 1.00 0.00 C ATOM 885 CD LYS A 58 10.137 -14.692 -8.717 1.00 0.00 C ATOM 886 CE LYS A 58 11.515 -15.287 -8.960 1.00 0.00 C ATOM 887 NZ LYS A 58 11.769 -15.522 -10.409 1.00 0.00 N ATOM 0 H LYS A 58 9.303 -11.176 -6.568 1.00 0.00 H new ATOM 0 HA LYS A 58 8.259 -12.615 -8.902 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.550 -13.375 -5.968 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.944 -14.439 -7.221 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.709 -13.186 -7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.383 -14.752 -6.586 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.382 -15.473 -8.806 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.920 -13.949 -9.485 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.276 -14.616 -8.562 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.605 -16.228 -8.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.718 -15.928 -10.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.058 -16.182 -10.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.708 -14.620 -10.923 1.00 0.00 H new ATOM 901 N ASP A 59 5.870 -12.111 -8.574 1.00 0.00 N ATOM 902 CA ASP A 59 4.445 -11.842 -8.418 1.00 0.00 C ATOM 903 C ASP A 59 4.215 -10.657 -7.486 1.00 0.00 C ATOM 904 O ASP A 59 3.465 -10.754 -6.513 1.00 0.00 O ATOM 905 CB ASP A 59 3.727 -13.079 -7.877 1.00 0.00 C ATOM 906 CG ASP A 59 4.471 -14.363 -8.188 1.00 0.00 C ATOM 907 OD1 ASP A 59 4.445 -14.796 -9.359 1.00 0.00 O ATOM 908 OD2 ASP A 59 5.081 -14.934 -7.259 1.00 0.00 O ATOM 0 H ASP A 59 6.159 -12.311 -9.532 1.00 0.00 H new ATOM 0 HA ASP A 59 4.037 -11.595 -9.398 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.608 -12.984 -6.798 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.726 -13.130 -8.304 1.00 0.00 H new ATOM 913 N LEU A 60 4.864 -9.538 -7.788 1.00 0.00 N ATOM 914 CA LEU A 60 4.731 -8.333 -6.977 1.00 0.00 C ATOM 915 C LEU A 60 4.805 -7.081 -7.846 1.00 0.00 C ATOM 916 O LEU A 60 5.733 -6.916 -8.638 1.00 0.00 O ATOM 917 CB LEU A 60 5.823 -8.291 -5.907 1.00 0.00 C ATOM 918 CG LEU A 60 5.691 -7.189 -4.856 1.00 0.00 C ATOM 919 CD1 LEU A 60 4.865 -7.674 -3.675 1.00 0.00 C ATOM 920 CD2 LEU A 60 7.065 -6.725 -4.394 1.00 0.00 C ATOM 0 H LEU A 60 5.488 -9.440 -8.589 1.00 0.00 H new ATOM 0 HA LEU A 60 3.756 -8.358 -6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.839 -9.253 -5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.786 -8.178 -6.404 1.00 0.00 H new ATOM 0 HG LEU A 60 5.177 -6.341 -5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.782 -6.876 -2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.870 -7.956 -4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.351 -8.538 -3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.952 -5.940 -3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.606 -7.566 -3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.623 -6.336 -5.246 1.00 0.00 H new ATOM 932 N VAL A 61 3.823 -6.199 -7.689 1.00 0.00 N ATOM 933 CA VAL A 61 3.778 -4.960 -8.457 1.00 0.00 C ATOM 934 C VAL A 61 3.325 -3.792 -7.588 1.00 0.00 C ATOM 935 O VAL A 61 2.163 -3.719 -7.187 1.00 0.00 O ATOM 936 CB VAL A 61 2.834 -5.083 -9.667 1.00 0.00 C ATOM 937 CG1 VAL A 61 2.895 -3.826 -10.522 1.00 0.00 C ATOM 938 CG2 VAL A 61 3.180 -6.315 -10.490 1.00 0.00 C ATOM 0 H VAL A 61 3.048 -6.319 -7.037 1.00 0.00 H new ATOM 0 HA VAL A 61 4.790 -4.772 -8.815 1.00 0.00 H new ATOM 0 HB VAL A 61 1.814 -5.195 -9.300 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.221 -3.931 -11.372 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.594 -2.965 -9.925 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.913 -3.680 -10.882 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.503 -6.386 -11.341 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.206 -6.237 -10.849 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.079 -7.206 -9.871 1.00 0.00 H new ATOM 948 N ILE A 62 4.248 -2.881 -7.302 1.00 0.00 N ATOM 949 CA ILE A 62 3.943 -1.715 -6.483 1.00 0.00 C ATOM 950 C ILE A 62 3.196 -0.657 -7.289 1.00 0.00 C ATOM 951 O ILE A 62 3.780 0.018 -8.136 1.00 0.00 O ATOM 952 CB ILE A 62 5.221 -1.089 -5.895 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.846 -2.028 -4.861 1.00 0.00 C ATOM 954 CG2 ILE A 62 4.910 0.263 -5.271 1.00 0.00 C ATOM 955 CD1 ILE A 62 7.021 -1.423 -4.127 1.00 0.00 C ATOM 0 H ILE A 62 5.214 -2.928 -7.626 1.00 0.00 H new ATOM 0 HA ILE A 62 3.309 -2.061 -5.666 1.00 0.00 H new ATOM 0 HB ILE A 62 5.938 -0.938 -6.702 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.084 -2.315 -4.136 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.171 -2.941 -5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.823 0.693 -4.860 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.506 0.931 -6.032 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.178 0.136 -4.474 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.413 -2.145 -3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.801 -1.161 -4.842 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.697 -0.526 -3.599 1.00 0.00 H new ATOM 967 N ALA A 63 1.903 -0.517 -7.017 1.00 0.00 N ATOM 968 CA ALA A 63 1.078 0.462 -7.713 1.00 0.00 C ATOM 969 C ALA A 63 0.462 1.456 -6.735 1.00 0.00 C ATOM 970 O ALA A 63 0.402 1.204 -5.532 1.00 0.00 O ATOM 971 CB ALA A 63 -0.011 -0.239 -8.512 1.00 0.00 C ATOM 0 H ALA A 63 1.404 -1.069 -6.319 1.00 0.00 H new ATOM 0 HA ALA A 63 1.717 1.017 -8.399 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.620 0.504 -9.027 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.446 -0.904 -9.244 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.640 -0.820 -7.838 1.00 0.00 H new ATOM 977 N LYS A 64 0.006 2.589 -7.259 1.00 0.00 N ATOM 978 CA LYS A 64 -0.606 3.623 -6.432 1.00 0.00 C ATOM 979 C LYS A 64 -2.007 3.962 -6.933 1.00 0.00 C ATOM 980 O LYS A 64 -2.404 3.546 -8.021 1.00 0.00 O ATOM 981 CB LYS A 64 0.263 4.882 -6.427 1.00 0.00 C ATOM 982 CG LYS A 64 0.547 5.431 -7.815 1.00 0.00 C ATOM 983 CD LYS A 64 1.401 6.687 -7.754 1.00 0.00 C ATOM 984 CE LYS A 64 2.273 6.828 -8.992 1.00 0.00 C ATOM 985 NZ LYS A 64 3.217 7.974 -8.877 1.00 0.00 N ATOM 0 H LYS A 64 0.049 2.815 -8.253 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.685 3.240 -5.415 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.231 5.652 -5.835 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.209 4.659 -5.933 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.056 4.673 -8.410 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.394 5.654 -8.319 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.758 7.562 -7.659 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.031 6.657 -6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.836 5.908 -9.147 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.640 6.965 -9.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.794 8.037 -9.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.679 8.856 -8.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.838 7.831 -8.055 1.00 0.00 H new ATOM 999 N MET A 65 -2.749 4.720 -6.133 1.00 0.00 N ATOM 1000 CA MET A 65 -4.105 5.116 -6.498 1.00 0.00 C ATOM 1001 C MET A 65 -4.521 6.379 -5.751 1.00 0.00 C ATOM 1002 O MET A 65 -4.037 6.650 -4.652 1.00 0.00 O ATOM 1003 CB MET A 65 -5.088 3.984 -6.196 1.00 0.00 C ATOM 1004 CG MET A 65 -6.533 4.445 -6.094 1.00 0.00 C ATOM 1005 SD MET A 65 -7.642 3.138 -5.534 1.00 0.00 S ATOM 1006 CE MET A 65 -9.236 3.862 -5.912 1.00 0.00 C ATOM 0 H MET A 65 -2.435 5.072 -5.229 1.00 0.00 H new ATOM 0 HA MET A 65 -4.121 5.325 -7.568 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.011 3.228 -6.978 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.801 3.505 -5.260 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.594 5.287 -5.405 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.865 4.805 -7.068 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.027 3.164 -5.639 1.00 0.00 H new ATOM 0 HE2 MET A 65 -9.358 4.787 -5.349 1.00 0.00 H new ATOM 0 HE3 MET A 65 -9.294 4.076 -6.979 1.00 0.00 H new ATOM 1016 N ASP A 66 -5.419 7.149 -6.355 1.00 0.00 N ATOM 1017 CA ASP A 66 -5.901 8.384 -5.747 1.00 0.00 C ATOM 1018 C ASP A 66 -7.259 8.170 -5.086 1.00 0.00 C ATOM 1019 O ASP A 66 -8.299 8.261 -5.739 1.00 0.00 O ATOM 1020 CB ASP A 66 -5.999 9.491 -6.798 1.00 0.00 C ATOM 1021 CG ASP A 66 -4.700 9.689 -7.553 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -4.090 8.678 -7.959 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -4.293 10.855 -7.737 1.00 0.00 O ATOM 0 H ASP A 66 -5.828 6.940 -7.266 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.188 8.685 -4.980 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.793 9.248 -7.504 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.279 10.426 -6.312 1.00 0.00 H new ATOM 1028 N ALA A 67 -7.242 7.885 -3.788 1.00 0.00 N ATOM 1029 CA ALA A 67 -8.472 7.659 -3.039 1.00 0.00 C ATOM 1030 C ALA A 67 -9.284 8.944 -2.918 1.00 0.00 C ATOM 1031 O ALA A 67 -10.490 8.908 -2.668 1.00 0.00 O ATOM 1032 CB ALA A 67 -8.155 7.101 -1.660 1.00 0.00 C ATOM 0 H ALA A 67 -6.390 7.805 -3.233 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.072 6.931 -3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.083 6.937 -1.112 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.623 6.155 -1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.532 7.810 -1.115 1.00 0.00 H new ATOM 1038 N THR A 68 -8.617 10.080 -3.096 1.00 0.00 N ATOM 1039 CA THR A 68 -9.276 11.377 -3.004 1.00 0.00 C ATOM 1040 C THR A 68 -10.241 11.586 -4.166 1.00 0.00 C ATOM 1041 O THR A 68 -11.275 12.237 -4.017 1.00 0.00 O ATOM 1042 CB THR A 68 -8.253 12.528 -2.987 1.00 0.00 C ATOM 1043 OG1 THR A 68 -7.838 12.834 -4.323 1.00 0.00 O ATOM 1044 CG2 THR A 68 -7.040 12.161 -2.146 1.00 0.00 C ATOM 0 H THR A 68 -7.620 10.128 -3.305 1.00 0.00 H new ATOM 0 HA THR A 68 -9.833 11.383 -2.067 1.00 0.00 H new ATOM 0 HB THR A 68 -8.730 13.403 -2.546 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.189 13.568 -4.304 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.331 12.989 -2.149 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.355 11.957 -1.123 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.563 11.274 -2.563 1.00 0.00 H new ATOM 1052 N ALA A 69 -9.896 11.030 -5.323 1.00 0.00 N ATOM 1053 CA ALA A 69 -10.733 11.154 -6.509 1.00 0.00 C ATOM 1054 C ALA A 69 -11.518 9.872 -6.764 1.00 0.00 C ATOM 1055 O ALA A 69 -12.716 9.910 -7.038 1.00 0.00 O ATOM 1056 CB ALA A 69 -9.883 11.504 -7.721 1.00 0.00 C ATOM 0 H ALA A 69 -9.043 10.489 -5.464 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.448 11.958 -6.336 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.522 11.593 -8.600 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.372 12.451 -7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.145 10.719 -7.887 1.00 0.00 H new ATOM 1062 N ASN A 70 -10.833 8.736 -6.673 1.00 0.00 N ATOM 1063 CA ASN A 70 -11.466 7.441 -6.895 1.00 0.00 C ATOM 1064 C ASN A 70 -12.096 6.916 -5.609 1.00 0.00 C ATOM 1065 O ASN A 70 -11.450 6.872 -4.562 1.00 0.00 O ATOM 1066 CB ASN A 70 -10.443 6.434 -7.423 1.00 0.00 C ATOM 1067 CG ASN A 70 -9.942 6.791 -8.809 1.00 0.00 C ATOM 1068 OD1 ASN A 70 -10.695 6.755 -9.782 1.00 0.00 O ATOM 1069 ND2 ASN A 70 -8.664 7.138 -8.905 1.00 0.00 N ATOM 0 H ASN A 70 -9.840 8.686 -6.447 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.253 7.572 -7.637 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.598 6.384 -6.736 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.893 5.442 -7.447 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.270 7.388 -9.812 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.076 7.154 -8.072 1.00 0.00 H new ATOM 1076 N ASP A 71 -13.361 6.519 -5.696 1.00 0.00 N ATOM 1077 CA ASP A 71 -14.079 5.995 -4.539 1.00 0.00 C ATOM 1078 C ASP A 71 -13.811 4.503 -4.364 1.00 0.00 C ATOM 1079 O ASP A 71 -14.284 3.681 -5.149 1.00 0.00 O ATOM 1080 CB ASP A 71 -15.581 6.241 -4.690 1.00 0.00 C ATOM 1081 CG ASP A 71 -15.958 7.688 -4.439 1.00 0.00 C ATOM 1082 OD1 ASP A 71 -15.342 8.316 -3.553 1.00 0.00 O ATOM 1083 OD2 ASP A 71 -16.870 8.192 -5.128 1.00 0.00 O ATOM 0 H ASP A 71 -13.910 6.550 -6.555 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.720 6.517 -3.652 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.894 5.956 -5.694 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.123 5.601 -3.994 1.00 0.00 H new ATOM 1088 N ILE A 72 -13.049 4.162 -3.330 1.00 0.00 N ATOM 1089 CA ILE A 72 -12.719 2.770 -3.052 1.00 0.00 C ATOM 1090 C ILE A 72 -13.975 1.951 -2.776 1.00 0.00 C ATOM 1091 O ILE A 72 -14.553 2.025 -1.691 1.00 0.00 O ATOM 1092 CB ILE A 72 -11.765 2.647 -1.848 1.00 0.00 C ATOM 1093 CG1 ILE A 72 -10.517 3.504 -2.069 1.00 0.00 C ATOM 1094 CG2 ILE A 72 -11.382 1.192 -1.622 1.00 0.00 C ATOM 1095 CD1 ILE A 72 -9.724 3.753 -0.805 1.00 0.00 C ATOM 0 H ILE A 72 -12.649 4.830 -2.671 1.00 0.00 H new ATOM 0 HA ILE A 72 -12.222 2.381 -3.941 1.00 0.00 H new ATOM 0 HB ILE A 72 -12.279 3.009 -0.958 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.875 3.014 -2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.815 4.462 -2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -10.708 1.122 -0.768 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -12.280 0.606 -1.425 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.884 0.805 -2.511 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.854 4.367 -1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.350 4.271 -0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.396 2.801 -0.388 1.00 0.00 H new ATOM 1107 N THR A 73 -14.393 1.168 -3.766 1.00 0.00 N ATOM 1108 CA THR A 73 -15.581 0.334 -3.630 1.00 0.00 C ATOM 1109 C THR A 73 -15.440 -0.639 -2.465 1.00 0.00 C ATOM 1110 O THR A 73 -16.419 -0.966 -1.796 1.00 0.00 O ATOM 1111 CB THR A 73 -15.857 -0.463 -4.919 1.00 0.00 C ATOM 1112 OG1 THR A 73 -14.676 -1.165 -5.324 1.00 0.00 O ATOM 1113 CG2 THR A 73 -16.314 0.459 -6.039 1.00 0.00 C ATOM 0 H THR A 73 -13.927 1.094 -4.670 1.00 0.00 H new ATOM 0 HA THR A 73 -16.418 1.005 -3.439 1.00 0.00 H new ATOM 0 HB THR A 73 -16.652 -1.179 -4.713 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.861 -1.670 -6.143 1.00 0.00 H new ATOM 0 HG21 THR A 73 -16.503 -0.127 -6.939 1.00 0.00 H new ATOM 0 HG22 THR A 73 -17.230 0.969 -5.740 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.538 1.197 -6.243 1.00 0.00 H new ATOM 1121 N ASN A 74 -14.215 -1.097 -2.228 1.00 0.00 N ATOM 1122 CA ASN A 74 -13.946 -2.033 -1.142 1.00 0.00 C ATOM 1123 C ASN A 74 -14.547 -1.533 0.168 1.00 0.00 C ATOM 1124 O ASN A 74 -15.186 -0.482 0.209 1.00 0.00 O ATOM 1125 CB ASN A 74 -12.439 -2.239 -0.980 1.00 0.00 C ATOM 1126 CG ASN A 74 -11.898 -3.305 -1.912 1.00 0.00 C ATOM 1127 OD1 ASN A 74 -11.938 -3.156 -3.134 1.00 0.00 O ATOM 1128 ND2 ASN A 74 -11.387 -4.389 -1.339 1.00 0.00 N ATOM 0 H ASN A 74 -13.393 -0.835 -2.773 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.411 -2.986 -1.393 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -11.924 -1.298 -1.171 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.222 -2.518 0.051 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.007 -5.140 -1.916 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -11.374 -4.471 -0.322 1.00 0.00 H new ATOM 1135 N ASP A 75 -14.336 -2.293 1.237 1.00 0.00 N ATOM 1136 CA ASP A 75 -14.854 -1.926 2.550 1.00 0.00 C ATOM 1137 C ASP A 75 -13.735 -1.891 3.586 1.00 0.00 C ATOM 1138 O ASP A 75 -13.764 -1.086 4.517 1.00 0.00 O ATOM 1139 CB ASP A 75 -15.939 -2.912 2.987 1.00 0.00 C ATOM 1140 CG ASP A 75 -16.753 -2.396 4.157 1.00 0.00 C ATOM 1141 OD1 ASP A 75 -16.166 -1.746 5.047 1.00 0.00 O ATOM 1142 OD2 ASP A 75 -17.977 -2.643 4.183 1.00 0.00 O ATOM 0 H ASP A 75 -13.810 -3.167 1.220 1.00 0.00 H new ATOM 0 HA ASP A 75 -15.288 -0.929 2.476 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -16.603 -3.113 2.146 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -15.476 -3.860 3.261 1.00 0.00 H new ATOM 1147 N GLN A 76 -12.750 -2.768 3.417 1.00 0.00 N ATOM 1148 CA GLN A 76 -11.623 -2.837 4.338 1.00 0.00 C ATOM 1149 C GLN A 76 -10.624 -1.718 4.061 1.00 0.00 C ATOM 1150 O GLN A 76 -9.908 -1.274 4.959 1.00 0.00 O ATOM 1151 CB GLN A 76 -10.929 -4.195 4.227 1.00 0.00 C ATOM 1152 CG GLN A 76 -11.868 -5.376 4.415 1.00 0.00 C ATOM 1153 CD GLN A 76 -12.464 -5.861 3.109 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -13.683 -5.969 2.972 1.00 0.00 O ATOM 1155 NE2 GLN A 76 -11.606 -6.158 2.140 1.00 0.00 N ATOM 0 H GLN A 76 -12.710 -3.440 2.651 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.006 -2.714 5.351 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.454 -4.272 3.249 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.136 -4.250 4.972 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.326 -6.194 4.889 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.672 -5.091 5.093 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.604 -6.054 2.297 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.949 -6.490 1.239 1.00 0.00 H new ATOM 1164 N TYR A 77 -10.580 -1.267 2.812 1.00 0.00 N ATOM 1165 CA TYR A 77 -9.666 -0.202 2.416 1.00 0.00 C ATOM 1166 C TYR A 77 -10.246 1.168 2.757 1.00 0.00 C ATOM 1167 O TYR A 77 -11.017 1.739 1.986 1.00 0.00 O ATOM 1168 CB TYR A 77 -9.373 -0.285 0.917 1.00 0.00 C ATOM 1169 CG TYR A 77 -8.543 -1.488 0.528 1.00 0.00 C ATOM 1170 CD1 TYR A 77 -9.073 -2.771 0.587 1.00 0.00 C ATOM 1171 CD2 TYR A 77 -7.229 -1.341 0.101 1.00 0.00 C ATOM 1172 CE1 TYR A 77 -8.319 -3.872 0.233 1.00 0.00 C ATOM 1173 CE2 TYR A 77 -6.468 -2.437 -0.256 1.00 0.00 C ATOM 1174 CZ TYR A 77 -7.017 -3.700 -0.188 1.00 0.00 C ATOM 1175 OH TYR A 77 -6.262 -4.795 -0.543 1.00 0.00 O ATOM 0 H TYR A 77 -11.166 -1.622 2.057 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.736 -0.331 2.969 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.316 -0.313 0.372 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.853 0.621 0.606 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.092 -2.909 0.915 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.795 -0.353 0.047 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.746 -4.862 0.285 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.448 -2.305 -0.587 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.697 -5.611 -0.219 1.00 0.00 H new ATOM 1185 N LYS A 78 -9.867 1.690 3.919 1.00 0.00 N ATOM 1186 CA LYS A 78 -10.346 2.993 4.364 1.00 0.00 C ATOM 1187 C LYS A 78 -9.192 3.984 4.486 1.00 0.00 C ATOM 1188 O LYS A 78 -8.301 3.815 5.318 1.00 0.00 O ATOM 1189 CB LYS A 78 -11.064 2.863 5.709 1.00 0.00 C ATOM 1190 CG LYS A 78 -12.557 2.617 5.580 1.00 0.00 C ATOM 1191 CD LYS A 78 -13.202 2.373 6.934 1.00 0.00 C ATOM 1192 CE LYS A 78 -13.537 3.681 7.635 1.00 0.00 C ATOM 1193 NZ LYS A 78 -14.889 4.181 7.259 1.00 0.00 N ATOM 0 H LYS A 78 -9.230 1.230 4.569 1.00 0.00 H new ATOM 0 HA LYS A 78 -11.048 3.368 3.619 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.617 2.044 6.272 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.903 3.773 6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -13.028 3.476 5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.730 1.757 4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.111 1.785 6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.529 1.786 7.559 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.490 3.537 8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.788 4.431 7.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.080 5.074 7.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -14.926 4.343 6.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -15.606 3.476 7.525 1.00 0.00 H new ATOM 1207 N VAL A 79 -9.216 5.019 3.652 1.00 0.00 N ATOM 1208 CA VAL A 79 -8.174 6.038 3.668 1.00 0.00 C ATOM 1209 C VAL A 79 -8.558 7.203 4.573 1.00 0.00 C ATOM 1210 O VAL A 79 -9.172 8.171 4.127 1.00 0.00 O ATOM 1211 CB VAL A 79 -7.891 6.574 2.252 1.00 0.00 C ATOM 1212 CG1 VAL A 79 -6.842 7.674 2.297 1.00 0.00 C ATOM 1213 CG2 VAL A 79 -7.452 5.444 1.333 1.00 0.00 C ATOM 0 H VAL A 79 -9.946 5.174 2.957 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.273 5.563 4.055 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.812 7.000 1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.655 8.040 1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.201 8.494 2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.917 7.278 2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.256 5.840 0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.544 4.987 1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.241 4.694 1.276 1.00 0.00 H new ATOM 1223 N GLU A 80 -8.192 7.101 5.847 1.00 0.00 N ATOM 1224 CA GLU A 80 -8.500 8.147 6.815 1.00 0.00 C ATOM 1225 C GLU A 80 -7.599 9.362 6.608 1.00 0.00 C ATOM 1226 O GLU A 80 -7.959 10.483 6.965 1.00 0.00 O ATOM 1227 CB GLU A 80 -8.339 7.616 8.241 1.00 0.00 C ATOM 1228 CG GLU A 80 -9.368 6.564 8.618 1.00 0.00 C ATOM 1229 CD GLU A 80 -10.703 7.168 9.012 1.00 0.00 C ATOM 1230 OE1 GLU A 80 -11.131 8.140 8.355 1.00 0.00 O ATOM 1231 OE2 GLU A 80 -11.318 6.668 9.977 1.00 0.00 O ATOM 0 H GLU A 80 -7.683 6.306 6.232 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.535 8.454 6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.341 7.192 8.351 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.410 8.449 8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.514 5.886 7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.985 5.967 9.446 1.00 0.00 H new ATOM 1238 N GLY A 81 -6.424 9.129 6.030 1.00 0.00 N ATOM 1239 CA GLY A 81 -5.490 10.212 5.787 1.00 0.00 C ATOM 1240 C GLY A 81 -4.506 9.890 4.679 1.00 0.00 C ATOM 1241 O GLY A 81 -4.752 9.006 3.858 1.00 0.00 O ATOM 0 H GLY A 81 -6.103 8.210 5.726 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.044 11.114 5.526 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.942 10.428 6.704 1.00 0.00 H new ATOM 1245 N PHE A 82 -3.389 10.610 4.654 1.00 0.00 N ATOM 1246 CA PHE A 82 -2.366 10.399 3.637 1.00 0.00 C ATOM 1247 C PHE A 82 -0.996 10.842 4.143 1.00 0.00 C ATOM 1248 O PHE A 82 -0.870 11.786 4.923 1.00 0.00 O ATOM 1249 CB PHE A 82 -2.721 11.163 2.359 1.00 0.00 C ATOM 1250 CG PHE A 82 -4.138 10.948 1.907 1.00 0.00 C ATOM 1251 CD1 PHE A 82 -5.178 11.659 2.482 1.00 0.00 C ATOM 1252 CD2 PHE A 82 -4.428 10.034 0.907 1.00 0.00 C ATOM 1253 CE1 PHE A 82 -6.482 11.464 2.068 1.00 0.00 C ATOM 1254 CE2 PHE A 82 -5.730 9.835 0.488 1.00 0.00 C ATOM 1255 CZ PHE A 82 -6.759 10.550 1.070 1.00 0.00 C ATOM 0 H PHE A 82 -3.170 11.345 5.327 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.325 9.333 3.415 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.558 12.228 2.525 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.043 10.857 1.562 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.968 12.374 3.263 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.628 9.471 0.450 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.284 12.026 2.524 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.943 9.121 -0.294 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.777 10.395 0.746 1.00 0.00 H new ATOM 1265 N PRO A 83 0.055 10.144 3.689 1.00 0.00 N ATOM 1266 CA PRO A 83 -0.082 9.018 2.761 1.00 0.00 C ATOM 1267 C PRO A 83 -0.731 7.803 3.416 1.00 0.00 C ATOM 1268 O PRO A 83 -1.000 7.802 4.617 1.00 0.00 O ATOM 1269 CB PRO A 83 1.363 8.705 2.366 1.00 0.00 C ATOM 1270 CG PRO A 83 2.183 9.198 3.508 1.00 0.00 C ATOM 1271 CD PRO A 83 1.460 10.401 4.049 1.00 0.00 C ATOM 0 HA PRO A 83 -0.725 9.263 1.916 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.507 7.636 2.207 1.00 0.00 H new ATOM 0 HB3 PRO A 83 1.637 9.205 1.437 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.288 8.429 4.273 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.189 9.462 3.181 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.588 10.496 5.127 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.827 11.325 3.602 1.00 0.00 H new ATOM 1279 N THR A 84 -0.979 6.769 2.618 1.00 0.00 N ATOM 1280 CA THR A 84 -1.597 5.548 3.120 1.00 0.00 C ATOM 1281 C THR A 84 -1.276 4.360 2.220 1.00 0.00 C ATOM 1282 O THR A 84 -1.832 4.227 1.130 1.00 0.00 O ATOM 1283 CB THR A 84 -3.126 5.696 3.229 1.00 0.00 C ATOM 1284 OG1 THR A 84 -3.454 6.939 3.859 1.00 0.00 O ATOM 1285 CG2 THR A 84 -3.725 4.545 4.024 1.00 0.00 C ATOM 0 H THR A 84 -0.761 6.753 1.622 1.00 0.00 H new ATOM 0 HA THR A 84 -1.185 5.370 4.113 1.00 0.00 H new ATOM 0 HB THR A 84 -3.544 5.678 2.222 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.030 7.465 3.265 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.806 4.671 4.088 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.498 3.602 3.526 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.301 4.537 5.028 1.00 0.00 H new ATOM 1293 N ILE A 85 -0.376 3.499 2.684 1.00 0.00 N ATOM 1294 CA ILE A 85 0.017 2.321 1.922 1.00 0.00 C ATOM 1295 C ILE A 85 -0.764 1.090 2.369 1.00 0.00 C ATOM 1296 O ILE A 85 -1.081 0.938 3.549 1.00 0.00 O ATOM 1297 CB ILE A 85 1.524 2.037 2.061 1.00 0.00 C ATOM 1298 CG1 ILE A 85 2.339 3.237 1.575 1.00 0.00 C ATOM 1299 CG2 ILE A 85 1.902 0.784 1.285 1.00 0.00 C ATOM 1300 CD1 ILE A 85 3.692 3.359 2.240 1.00 0.00 C ATOM 0 H ILE A 85 0.094 3.596 3.584 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.210 2.532 0.877 1.00 0.00 H new ATOM 0 HB ILE A 85 1.751 1.870 3.114 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.479 3.158 0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.771 4.149 1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.970 0.597 1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.343 -0.067 1.674 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.663 0.923 0.231 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.213 4.232 1.847 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.560 3.470 3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.279 2.463 2.037 1.00 0.00 H new ATOM 1312 N TYR A 86 -1.071 0.213 1.420 1.00 0.00 N ATOM 1313 CA TYR A 86 -1.815 -1.005 1.716 1.00 0.00 C ATOM 1314 C TYR A 86 -1.324 -2.166 0.857 1.00 0.00 C ATOM 1315 O TYR A 86 -0.964 -1.985 -0.306 1.00 0.00 O ATOM 1316 CB TYR A 86 -3.311 -0.782 1.485 1.00 0.00 C ATOM 1317 CG TYR A 86 -4.044 -0.276 2.707 1.00 0.00 C ATOM 1318 CD1 TYR A 86 -4.350 -1.128 3.760 1.00 0.00 C ATOM 1319 CD2 TYR A 86 -4.431 1.055 2.807 1.00 0.00 C ATOM 1320 CE1 TYR A 86 -5.019 -0.670 4.878 1.00 0.00 C ATOM 1321 CE2 TYR A 86 -5.100 1.522 3.922 1.00 0.00 C ATOM 1322 CZ TYR A 86 -5.392 0.655 4.955 1.00 0.00 C ATOM 1323 OH TYR A 86 -6.059 1.116 6.066 1.00 0.00 O ATOM 0 H TYR A 86 -0.816 0.323 0.439 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.649 -1.257 2.763 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -3.442 -0.068 0.672 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -3.764 -1.719 1.162 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.060 -2.167 3.704 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.205 1.736 2.000 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.249 -1.346 5.688 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.393 2.560 3.985 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.247 2.072 5.961 1.00 0.00 H new ATOM 1333 N PHE A 87 -1.313 -3.361 1.440 1.00 0.00 N ATOM 1334 CA PHE A 87 -0.866 -4.553 0.730 1.00 0.00 C ATOM 1335 C PHE A 87 -2.018 -5.535 0.536 1.00 0.00 C ATOM 1336 O PHE A 87 -2.585 -6.042 1.504 1.00 0.00 O ATOM 1337 CB PHE A 87 0.273 -5.231 1.494 1.00 0.00 C ATOM 1338 CG PHE A 87 0.979 -6.293 0.700 1.00 0.00 C ATOM 1339 CD1 PHE A 87 0.480 -7.584 0.647 1.00 0.00 C ATOM 1340 CD2 PHE A 87 2.144 -6.000 0.008 1.00 0.00 C ATOM 1341 CE1 PHE A 87 1.127 -8.563 -0.083 1.00 0.00 C ATOM 1342 CE2 PHE A 87 2.795 -6.975 -0.724 1.00 0.00 C ATOM 1343 CZ PHE A 87 2.286 -8.258 -0.768 1.00 0.00 C ATOM 0 H PHE A 87 -1.609 -3.529 2.402 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.504 -4.246 -0.251 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.997 -4.475 1.798 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.126 -5.675 2.406 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.425 -7.828 1.183 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.547 -4.999 0.041 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.726 -9.565 -0.117 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.701 -6.734 -1.261 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.794 -9.022 -1.338 1.00 0.00 H new ATOM 1353 N ALA A 88 -2.359 -5.798 -0.721 1.00 0.00 N ATOM 1354 CA ALA A 88 -3.442 -6.719 -1.042 1.00 0.00 C ATOM 1355 C ALA A 88 -2.897 -8.059 -1.524 1.00 0.00 C ATOM 1356 O ALA A 88 -2.607 -8.250 -2.706 1.00 0.00 O ATOM 1357 CB ALA A 88 -4.358 -6.110 -2.093 1.00 0.00 C ATOM 0 H ALA A 88 -1.901 -5.386 -1.534 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.018 -6.896 -0.133 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.162 -6.809 -2.323 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.782 -5.181 -1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.787 -5.903 -2.998 1.00 0.00 H new ATOM 1363 N PRO A 89 -2.754 -9.011 -0.590 1.00 0.00 N ATOM 1364 CA PRO A 89 -2.243 -10.351 -0.897 1.00 0.00 C ATOM 1365 C PRO A 89 -3.228 -11.172 -1.723 1.00 0.00 C ATOM 1366 O PRO A 89 -4.342 -11.451 -1.280 1.00 0.00 O ATOM 1367 CB PRO A 89 -2.048 -10.981 0.484 1.00 0.00 C ATOM 1368 CG PRO A 89 -3.005 -10.258 1.369 1.00 0.00 C ATOM 1369 CD PRO A 89 -3.080 -8.854 0.837 1.00 0.00 C ATOM 0 HA PRO A 89 -1.333 -10.313 -1.496 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -2.258 -12.050 0.464 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -1.022 -10.864 0.831 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.986 -10.734 1.355 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.662 -10.266 2.404 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -4.072 -8.424 0.977 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.372 -8.195 1.341 1.00 0.00 H new ATOM 1377 N SER A 90 -2.809 -11.555 -2.925 1.00 0.00 N ATOM 1378 CA SER A 90 -3.656 -12.342 -3.814 1.00 0.00 C ATOM 1379 C SER A 90 -4.144 -13.610 -3.119 1.00 0.00 C ATOM 1380 O SER A 90 -3.375 -14.545 -2.900 1.00 0.00 O ATOM 1381 CB SER A 90 -2.893 -12.706 -5.089 1.00 0.00 C ATOM 1382 OG SER A 90 -3.293 -13.975 -5.577 1.00 0.00 O ATOM 0 H SER A 90 -1.889 -11.333 -3.305 1.00 0.00 H new ATOM 0 HA SER A 90 -4.524 -11.738 -4.078 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.070 -11.947 -5.851 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.822 -12.712 -4.887 1.00 0.00 H new ATOM 0 HG SER A 90 -2.659 -14.277 -6.261 1.00 0.00 H new ATOM 1388 N GLY A 91 -5.428 -13.632 -2.775 1.00 0.00 N ATOM 1389 CA GLY A 91 -5.997 -14.789 -2.108 1.00 0.00 C ATOM 1390 C GLY A 91 -6.551 -14.454 -0.738 1.00 0.00 C ATOM 1391 O GLY A 91 -7.552 -15.027 -0.309 1.00 0.00 O ATOM 0 H GLY A 91 -6.084 -12.870 -2.946 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.792 -15.206 -2.726 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.233 -15.560 -2.009 1.00 0.00 H new ATOM 1395 N ASP A 92 -5.898 -13.525 -0.049 1.00 0.00 N ATOM 1396 CA ASP A 92 -6.331 -13.115 1.282 1.00 0.00 C ATOM 1397 C ASP A 92 -6.473 -11.598 1.364 1.00 0.00 C ATOM 1398 O ASP A 92 -6.353 -11.010 2.439 1.00 0.00 O ATOM 1399 CB ASP A 92 -5.339 -13.605 2.338 1.00 0.00 C ATOM 1400 CG ASP A 92 -5.429 -15.101 2.567 1.00 0.00 C ATOM 1401 OD1 ASP A 92 -5.594 -15.844 1.577 1.00 0.00 O ATOM 1402 OD2 ASP A 92 -5.332 -15.528 3.736 1.00 0.00 O ATOM 0 H ASP A 92 -5.067 -13.042 -0.390 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.305 -13.564 1.475 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.326 -13.348 2.028 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.526 -13.085 3.277 1.00 0.00 H new ATOM 1407 N LYS A 93 -6.728 -10.970 0.221 1.00 0.00 N ATOM 1408 CA LYS A 93 -6.886 -9.522 0.162 1.00 0.00 C ATOM 1409 C LYS A 93 -7.961 -9.052 1.138 1.00 0.00 C ATOM 1410 O LYS A 93 -7.864 -7.965 1.708 1.00 0.00 O ATOM 1411 CB LYS A 93 -7.247 -9.085 -1.259 1.00 0.00 C ATOM 1412 CG LYS A 93 -6.243 -9.535 -2.307 1.00 0.00 C ATOM 1413 CD LYS A 93 -6.235 -8.605 -3.508 1.00 0.00 C ATOM 1414 CE LYS A 93 -5.841 -9.339 -4.780 1.00 0.00 C ATOM 1415 NZ LYS A 93 -6.886 -10.311 -5.205 1.00 0.00 N ATOM 0 H LYS A 93 -6.830 -11.442 -0.678 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.937 -9.066 0.446 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.229 -9.483 -1.514 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.326 -7.998 -1.287 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.247 -9.570 -1.866 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.484 -10.547 -2.631 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.223 -8.163 -3.633 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.539 -7.785 -3.330 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.671 -8.617 -5.578 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.900 -9.865 -4.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.537 -11.280 -5.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.746 -10.167 -4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -7.107 -10.166 -6.211 1.00 0.00 H new ATOM 1429 N LYS A 94 -8.984 -9.878 1.326 1.00 0.00 N ATOM 1430 CA LYS A 94 -10.076 -9.549 2.235 1.00 0.00 C ATOM 1431 C LYS A 94 -9.568 -8.747 3.429 1.00 0.00 C ATOM 1432 O LYS A 94 -10.271 -7.884 3.953 1.00 0.00 O ATOM 1433 CB LYS A 94 -10.765 -10.826 2.721 1.00 0.00 C ATOM 1434 CG LYS A 94 -11.843 -11.332 1.779 1.00 0.00 C ATOM 1435 CD LYS A 94 -13.101 -10.485 1.865 1.00 0.00 C ATOM 1436 CE LYS A 94 -14.300 -11.205 1.267 1.00 0.00 C ATOM 1437 NZ LYS A 94 -14.685 -12.400 2.068 1.00 0.00 N ATOM 0 H LYS A 94 -9.080 -10.781 0.861 1.00 0.00 H new ATOM 0 HA LYS A 94 -10.797 -8.939 1.690 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.015 -11.606 2.853 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.208 -10.640 3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.467 -11.323 0.756 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -12.083 -12.367 2.022 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.305 -10.240 2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.943 -9.542 1.341 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -15.145 -10.518 1.210 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -14.068 -11.511 0.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.673 -12.652 1.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.066 -13.198 1.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -14.586 -12.186 3.081 1.00 0.00 H new ATOM 1451 N ASN A 95 -8.341 -9.036 3.851 1.00 0.00 N ATOM 1452 CA ASN A 95 -7.739 -8.340 4.983 1.00 0.00 C ATOM 1453 C ASN A 95 -6.515 -7.543 4.542 1.00 0.00 C ATOM 1454 O ASN A 95 -5.410 -8.072 4.418 1.00 0.00 O ATOM 1455 CB ASN A 95 -7.345 -9.340 6.072 1.00 0.00 C ATOM 1456 CG ASN A 95 -8.518 -10.179 6.538 1.00 0.00 C ATOM 1457 OD1 ASN A 95 -9.640 -9.686 6.659 1.00 0.00 O ATOM 1458 ND2 ASN A 95 -8.265 -11.456 6.804 1.00 0.00 N ATOM 0 H ASN A 95 -7.745 -9.746 3.427 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.477 -7.646 5.386 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.561 -9.995 5.693 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.927 -8.801 6.922 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.016 -12.069 7.122 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.320 -11.823 6.690 1.00 0.00 H new ATOM 1465 N PRO A 96 -6.715 -6.239 4.300 1.00 0.00 N ATOM 1466 CA PRO A 96 -5.639 -5.340 3.870 1.00 0.00 C ATOM 1467 C PRO A 96 -4.624 -5.079 4.978 1.00 0.00 C ATOM 1468 O PRO A 96 -4.995 -4.831 6.126 1.00 0.00 O ATOM 1469 CB PRO A 96 -6.379 -4.049 3.508 1.00 0.00 C ATOM 1470 CG PRO A 96 -7.629 -4.090 4.318 1.00 0.00 C ATOM 1471 CD PRO A 96 -8.005 -5.541 4.427 1.00 0.00 C ATOM 0 HA PRO A 96 -5.060 -5.761 3.048 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.781 -3.170 3.747 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.599 -4.005 2.441 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.470 -3.653 5.304 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.423 -3.516 3.840 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.488 -5.760 5.379 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -8.700 -5.836 3.641 1.00 0.00 H new ATOM 1479 N ILE A 97 -3.344 -5.138 4.627 1.00 0.00 N ATOM 1480 CA ILE A 97 -2.277 -4.906 5.592 1.00 0.00 C ATOM 1481 C ILE A 97 -1.728 -3.488 5.475 1.00 0.00 C ATOM 1482 O ILE A 97 -0.972 -3.177 4.554 1.00 0.00 O ATOM 1483 CB ILE A 97 -1.122 -5.908 5.405 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -1.662 -7.340 5.365 1.00 0.00 C ATOM 1485 CG2 ILE A 97 -0.100 -5.753 6.522 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -0.797 -8.289 4.566 1.00 0.00 C ATOM 0 H ILE A 97 -3.021 -5.344 3.682 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.711 -5.044 6.582 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.629 -5.698 4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -1.752 -7.714 6.385 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.665 -7.330 4.939 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.710 -6.468 6.376 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.303 -4.740 6.509 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.580 -5.940 7.483 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.240 -9.285 4.581 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.727 -7.938 3.536 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.200 -8.329 5.004 1.00 0.00 H new ATOM 1498 N LYS A 98 -2.112 -2.632 6.415 1.00 0.00 N ATOM 1499 CA LYS A 98 -1.657 -1.247 6.421 1.00 0.00 C ATOM 1500 C LYS A 98 -0.260 -1.136 7.023 1.00 0.00 C ATOM 1501 O LYS A 98 0.003 -1.656 8.108 1.00 0.00 O ATOM 1502 CB LYS A 98 -2.634 -0.371 7.209 1.00 0.00 C ATOM 1503 CG LYS A 98 -2.206 1.084 7.304 1.00 0.00 C ATOM 1504 CD LYS A 98 -3.405 2.012 7.403 1.00 0.00 C ATOM 1505 CE LYS A 98 -2.988 3.418 7.807 1.00 0.00 C ATOM 1506 NZ LYS A 98 -4.085 4.142 8.509 1.00 0.00 N ATOM 0 H LYS A 98 -2.738 -2.873 7.183 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.618 -0.899 5.389 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.616 -0.422 6.738 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.742 -0.776 8.215 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.566 1.220 8.176 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.612 1.347 6.429 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.921 2.046 6.443 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.113 1.617 8.132 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.114 3.365 8.456 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.693 3.978 6.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.761 5.096 8.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.910 4.215 7.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.350 3.621 9.369 1.00 0.00 H new ATOM 1520 N PHE A 99 0.633 -0.454 6.313 1.00 0.00 N ATOM 1521 CA PHE A 99 2.004 -0.274 6.778 1.00 0.00 C ATOM 1522 C PHE A 99 2.065 0.748 7.909 1.00 0.00 C ATOM 1523 O PHE A 99 1.883 1.945 7.688 1.00 0.00 O ATOM 1524 CB PHE A 99 2.902 0.173 5.623 1.00 0.00 C ATOM 1525 CG PHE A 99 4.281 0.579 6.058 1.00 0.00 C ATOM 1526 CD1 PHE A 99 5.097 -0.311 6.737 1.00 0.00 C ATOM 1527 CD2 PHE A 99 4.761 1.850 5.789 1.00 0.00 C ATOM 1528 CE1 PHE A 99 6.367 0.059 7.139 1.00 0.00 C ATOM 1529 CE2 PHE A 99 6.030 2.226 6.188 1.00 0.00 C ATOM 1530 CZ PHE A 99 6.833 1.329 6.865 1.00 0.00 C ATOM 0 H PHE A 99 0.432 -0.017 5.414 1.00 0.00 H new ATOM 0 HA PHE A 99 2.361 -1.231 7.157 1.00 0.00 H new ATOM 0 HB2 PHE A 99 2.982 -0.639 4.900 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.430 1.011 5.110 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.737 -1.306 6.955 1.00 0.00 H new ATOM 0 HD2 PHE A 99 4.137 2.556 5.261 1.00 0.00 H new ATOM 0 HE1 PHE A 99 6.994 -0.645 7.667 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.393 3.220 5.971 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.824 1.621 7.180 1.00 0.00 H new ATOM 1540 N GLU A 100 2.322 0.266 9.121 1.00 0.00 N ATOM 1541 CA GLU A 100 2.405 1.138 10.287 1.00 0.00 C ATOM 1542 C GLU A 100 3.690 0.879 11.069 1.00 0.00 C ATOM 1543 O GLU A 100 3.703 0.103 12.024 1.00 0.00 O ATOM 1544 CB GLU A 100 1.192 0.929 11.196 1.00 0.00 C ATOM 1545 CG GLU A 100 -0.019 1.754 10.793 1.00 0.00 C ATOM 1546 CD GLU A 100 0.262 3.244 10.799 1.00 0.00 C ATOM 1547 OE1 GLU A 100 0.606 3.778 11.874 1.00 0.00 O ATOM 1548 OE2 GLU A 100 0.138 3.876 9.729 1.00 0.00 O ATOM 0 H GLU A 100 2.476 -0.722 9.321 1.00 0.00 H new ATOM 0 HA GLU A 100 2.414 2.170 9.937 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.921 -0.127 11.189 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.468 1.180 12.220 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.344 1.453 9.797 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.842 1.541 11.475 1.00 0.00 H new ATOM 1583 N ARG A 104 8.252 5.800 7.155 1.00 0.00 N ATOM 1584 CA ARG A 104 8.075 5.184 5.846 1.00 0.00 C ATOM 1585 C ARG A 104 9.143 5.666 4.869 1.00 0.00 C ATOM 1586 O ARG A 104 9.195 6.847 4.524 1.00 0.00 O ATOM 1587 CB ARG A 104 6.683 5.499 5.294 1.00 0.00 C ATOM 1588 CG ARG A 104 6.613 6.815 4.537 1.00 0.00 C ATOM 1589 CD ARG A 104 5.179 7.305 4.403 1.00 0.00 C ATOM 1590 NE ARG A 104 5.115 8.727 4.075 1.00 0.00 N ATOM 1591 CZ ARG A 104 5.207 9.695 4.980 1.00 0.00 C ATOM 1592 NH1 ARG A 104 5.368 9.396 6.261 1.00 0.00 N ATOM 1593 NH2 ARG A 104 5.140 10.965 4.603 1.00 0.00 N ATOM 0 HA ARG A 104 8.176 4.105 5.964 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.373 4.691 4.631 1.00 0.00 H new ATOM 0 HB3 ARG A 104 5.971 5.526 6.119 1.00 0.00 H new ATOM 0 HG2 ARG A 104 7.208 7.566 5.056 1.00 0.00 H new ATOM 0 HG3 ARG A 104 7.050 6.690 3.546 1.00 0.00 H new ATOM 0 HD2 ARG A 104 4.671 6.731 3.628 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.645 7.124 5.336 1.00 0.00 H new ATOM 0 HE ARG A 104 4.993 8.991 3.097 1.00 0.00 H new ATOM 0 HH11 ARG A 104 5.422 8.421 6.554 1.00 0.00 H new ATOM 0 HH12 ARG A 104 5.438 10.141 6.954 1.00 0.00 H new ATOM 0 HH21 ARG A 104 5.018 11.199 3.618 1.00 0.00 H new ATOM 0 HH22 ARG A 104 5.211 11.708 5.298 1.00 0.00 H new ATOM 1607 N ASP A 105 9.993 4.746 4.428 1.00 0.00 N ATOM 1608 CA ASP A 105 11.060 5.076 3.490 1.00 0.00 C ATOM 1609 C ASP A 105 11.481 3.847 2.690 1.00 0.00 C ATOM 1610 O ASP A 105 10.909 2.767 2.844 1.00 0.00 O ATOM 1611 CB ASP A 105 12.264 5.652 4.237 1.00 0.00 C ATOM 1612 CG ASP A 105 13.161 6.481 3.338 1.00 0.00 C ATOM 1613 OD1 ASP A 105 12.643 7.397 2.667 1.00 0.00 O ATOM 1614 OD2 ASP A 105 14.380 6.212 3.306 1.00 0.00 O ATOM 0 H ASP A 105 9.964 3.765 4.705 1.00 0.00 H new ATOM 0 HA ASP A 105 10.681 5.826 2.795 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.913 6.269 5.064 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.843 4.837 4.671 1.00 0.00 H new ATOM 1619 N LEU A 106 12.483 4.019 1.835 1.00 0.00 N ATOM 1620 CA LEU A 106 12.981 2.924 1.010 1.00 0.00 C ATOM 1621 C LEU A 106 13.553 1.806 1.876 1.00 0.00 C ATOM 1622 O LEU A 106 13.764 0.690 1.403 1.00 0.00 O ATOM 1623 CB LEU A 106 14.051 3.434 0.043 1.00 0.00 C ATOM 1624 CG LEU A 106 14.297 2.576 -1.199 1.00 0.00 C ATOM 1625 CD1 LEU A 106 13.319 2.944 -2.304 1.00 0.00 C ATOM 1626 CD2 LEU A 106 15.732 2.734 -1.680 1.00 0.00 C ATOM 0 H LEU A 106 12.967 4.906 1.695 1.00 0.00 H new ATOM 0 HA LEU A 106 12.144 2.523 0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.771 4.436 -0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.990 3.527 0.588 1.00 0.00 H new ATOM 0 HG LEU A 106 14.137 1.531 -0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.509 2.323 -3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.299 2.779 -1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.447 3.994 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 106 15.889 2.117 -2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 106 15.919 3.779 -1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 106 16.417 2.420 -0.892 1.00 0.00 H new ATOM 1638 N GLU A 107 13.799 2.114 3.145 1.00 0.00 N ATOM 1639 CA GLU A 107 14.345 1.134 4.077 1.00 0.00 C ATOM 1640 C GLU A 107 13.227 0.413 4.824 1.00 0.00 C ATOM 1641 O GLU A 107 13.190 -0.817 4.871 1.00 0.00 O ATOM 1642 CB GLU A 107 15.284 1.814 5.074 1.00 0.00 C ATOM 1643 CG GLU A 107 16.727 1.882 4.603 1.00 0.00 C ATOM 1644 CD GLU A 107 17.631 2.593 5.591 1.00 0.00 C ATOM 1645 OE1 GLU A 107 17.484 2.352 6.808 1.00 0.00 O ATOM 1646 OE2 GLU A 107 18.485 3.389 5.149 1.00 0.00 O ATOM 0 H GLU A 107 13.629 3.034 3.552 1.00 0.00 H new ATOM 0 HA GLU A 107 14.908 0.398 3.503 1.00 0.00 H new ATOM 0 HB2 GLU A 107 14.925 2.825 5.266 1.00 0.00 H new ATOM 0 HB3 GLU A 107 15.245 1.277 6.021 1.00 0.00 H new ATOM 0 HG2 GLU A 107 17.099 0.871 4.438 1.00 0.00 H new ATOM 0 HG3 GLU A 107 16.768 2.397 3.643 1.00 0.00 H new ATOM 1653 N HIS A 108 12.318 1.187 5.408 1.00 0.00 N ATOM 1654 CA HIS A 108 11.199 0.623 6.154 1.00 0.00 C ATOM 1655 C HIS A 108 10.203 -0.050 5.214 1.00 0.00 C ATOM 1656 O HIS A 108 9.744 -1.163 5.472 1.00 0.00 O ATOM 1657 CB HIS A 108 10.496 1.713 6.964 1.00 0.00 C ATOM 1658 CG HIS A 108 11.425 2.508 7.829 1.00 0.00 C ATOM 1659 ND1 HIS A 108 11.662 3.853 7.642 1.00 0.00 N ATOM 1660 CD2 HIS A 108 12.176 2.140 8.894 1.00 0.00 C ATOM 1661 CE1 HIS A 108 12.520 4.278 8.553 1.00 0.00 C ATOM 1662 NE2 HIS A 108 12.847 3.258 9.325 1.00 0.00 N ATOM 0 H HIS A 108 12.334 2.206 5.379 1.00 0.00 H new ATOM 0 HA HIS A 108 11.593 -0.129 6.837 1.00 0.00 H new ATOM 0 HB2 HIS A 108 9.982 2.388 6.280 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.733 1.253 7.591 1.00 0.00 H new ATOM 0 HD2 HIS A 108 12.236 1.151 9.324 1.00 0.00 H new ATOM 0 HE1 HIS A 108 12.891 5.288 8.650 1.00 0.00 H new ATOM 0 HE2 HIS A 108 13.493 3.294 10.113 1.00 0.00 H new ATOM 1671 N LEU A 109 9.873 0.633 4.123 1.00 0.00 N ATOM 1672 CA LEU A 109 8.931 0.102 3.144 1.00 0.00 C ATOM 1673 C LEU A 109 9.330 -1.305 2.712 1.00 0.00 C ATOM 1674 O LEU A 109 8.542 -2.245 2.817 1.00 0.00 O ATOM 1675 CB LEU A 109 8.861 1.022 1.924 1.00 0.00 C ATOM 1676 CG LEU A 109 8.233 2.397 2.155 1.00 0.00 C ATOM 1677 CD1 LEU A 109 8.446 3.291 0.944 1.00 0.00 C ATOM 1678 CD2 LEU A 109 6.750 2.260 2.466 1.00 0.00 C ATOM 0 H LEU A 109 10.244 1.555 3.894 1.00 0.00 H new ATOM 0 HA LEU A 109 7.948 0.053 3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.872 1.166 1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.296 0.514 1.143 1.00 0.00 H new ATOM 0 HG LEU A 109 8.722 2.860 3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.992 4.265 1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.514 3.416 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.984 2.834 0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.319 3.248 2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.246 1.777 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.621 1.657 3.365 1.00 0.00 H new ATOM 1690 N SER A 110 10.560 -1.443 2.226 1.00 0.00 N ATOM 1691 CA SER A 110 11.064 -2.736 1.776 1.00 0.00 C ATOM 1692 C SER A 110 10.878 -3.797 2.857 1.00 0.00 C ATOM 1693 O SER A 110 10.503 -4.934 2.569 1.00 0.00 O ATOM 1694 CB SER A 110 12.543 -2.628 1.401 1.00 0.00 C ATOM 1695 OG SER A 110 13.297 -2.058 2.457 1.00 0.00 O ATOM 0 H SER A 110 11.226 -0.676 2.134 1.00 0.00 H new ATOM 0 HA SER A 110 10.494 -3.034 0.896 1.00 0.00 H new ATOM 0 HB2 SER A 110 12.934 -3.617 1.163 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.650 -2.019 0.503 1.00 0.00 H new ATOM 0 HG SER A 110 13.510 -1.126 2.241 1.00 0.00 H new ATOM 1701 N LYS A 111 11.143 -3.417 4.102 1.00 0.00 N ATOM 1702 CA LYS A 111 11.004 -4.334 5.228 1.00 0.00 C ATOM 1703 C LYS A 111 9.543 -4.716 5.442 1.00 0.00 C ATOM 1704 O LYS A 111 9.241 -5.698 6.120 1.00 0.00 O ATOM 1705 CB LYS A 111 11.568 -3.699 6.501 1.00 0.00 C ATOM 1706 CG LYS A 111 13.084 -3.740 6.581 1.00 0.00 C ATOM 1707 CD LYS A 111 13.588 -3.191 7.905 1.00 0.00 C ATOM 1708 CE LYS A 111 15.107 -3.130 7.942 1.00 0.00 C ATOM 1709 NZ LYS A 111 15.719 -4.484 7.851 1.00 0.00 N ATOM 0 H LYS A 111 11.455 -2.480 4.357 1.00 0.00 H new ATOM 0 HA LYS A 111 11.568 -5.239 5.000 1.00 0.00 H new ATOM 0 HB2 LYS A 111 11.238 -2.662 6.557 1.00 0.00 H new ATOM 0 HB3 LYS A 111 11.153 -4.213 7.368 1.00 0.00 H new ATOM 0 HG2 LYS A 111 13.428 -4.767 6.457 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.508 -3.161 5.761 1.00 0.00 H new ATOM 0 HD2 LYS A 111 13.179 -2.194 8.066 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.228 -3.818 8.721 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.466 -2.513 7.118 1.00 0.00 H new ATOM 0 HE3 LYS A 111 15.429 -2.647 8.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 16.744 -4.414 8.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 15.295 -5.106 8.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 15.546 -4.880 6.905 1.00 0.00 H new ATOM 1723 N PHE A 112 8.640 -3.935 4.858 1.00 0.00 N ATOM 1724 CA PHE A 112 7.210 -4.192 4.984 1.00 0.00 C ATOM 1725 C PHE A 112 6.692 -4.984 3.787 1.00 0.00 C ATOM 1726 O PHE A 112 5.727 -5.740 3.901 1.00 0.00 O ATOM 1727 CB PHE A 112 6.443 -2.874 5.109 1.00 0.00 C ATOM 1728 CG PHE A 112 4.969 -3.012 4.850 1.00 0.00 C ATOM 1729 CD1 PHE A 112 4.095 -3.298 5.886 1.00 0.00 C ATOM 1730 CD2 PHE A 112 4.460 -2.857 3.571 1.00 0.00 C ATOM 1731 CE1 PHE A 112 2.738 -3.425 5.652 1.00 0.00 C ATOM 1732 CE2 PHE A 112 3.104 -2.983 3.331 1.00 0.00 C ATOM 1733 CZ PHE A 112 2.243 -3.268 4.373 1.00 0.00 C ATOM 0 H PHE A 112 8.873 -3.119 4.293 1.00 0.00 H new ATOM 0 HA PHE A 112 7.050 -4.784 5.885 1.00 0.00 H new ATOM 0 HB2 PHE A 112 6.592 -2.470 6.110 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.861 -2.151 4.408 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.478 -3.423 6.888 1.00 0.00 H new ATOM 0 HD2 PHE A 112 5.129 -2.635 2.753 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.067 -3.647 6.468 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.718 -2.859 2.330 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.184 -3.368 4.187 1.00 0.00 H new ATOM 1743 N ILE A 113 7.340 -4.805 2.641 1.00 0.00 N ATOM 1744 CA ILE A 113 6.946 -5.503 1.424 1.00 0.00 C ATOM 1745 C ILE A 113 7.483 -6.930 1.410 1.00 0.00 C ATOM 1746 O ILE A 113 6.716 -7.893 1.447 1.00 0.00 O ATOM 1747 CB ILE A 113 7.445 -4.766 0.166 1.00 0.00 C ATOM 1748 CG1 ILE A 113 6.795 -3.385 0.066 1.00 0.00 C ATOM 1749 CG2 ILE A 113 7.150 -5.588 -1.080 1.00 0.00 C ATOM 1750 CD1 ILE A 113 7.472 -2.469 -0.929 1.00 0.00 C ATOM 0 H ILE A 113 8.140 -4.182 2.530 1.00 0.00 H new ATOM 0 HA ILE A 113 5.856 -5.528 1.413 1.00 0.00 H new ATOM 0 HB ILE A 113 8.524 -4.634 0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.749 -3.504 -0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.809 -2.914 1.049 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.508 -5.055 -1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.655 -6.551 -1.009 1.00 0.00 H new ATOM 0 HG23 ILE A 113 6.075 -5.748 -1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.958 -1.508 -0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.511 -2.319 -0.637 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.435 -2.919 -1.921 1.00 0.00 H new ATOM 1762 N ASP A 114 8.804 -7.059 1.358 1.00 0.00 N ATOM 1763 CA ASP A 114 9.444 -8.369 1.343 1.00 0.00 C ATOM 1764 C ASP A 114 8.727 -9.336 2.280 1.00 0.00 C ATOM 1765 O ASP A 114 8.486 -10.490 1.929 1.00 0.00 O ATOM 1766 CB ASP A 114 10.915 -8.246 1.745 1.00 0.00 C ATOM 1767 CG ASP A 114 11.772 -7.668 0.637 1.00 0.00 C ATOM 1768 OD1 ASP A 114 11.386 -7.802 -0.544 1.00 0.00 O ATOM 1769 OD2 ASP A 114 12.829 -7.081 0.949 1.00 0.00 O ATOM 0 H ASP A 114 9.453 -6.272 1.326 1.00 0.00 H new ATOM 0 HA ASP A 114 9.384 -8.763 0.329 1.00 0.00 H new ATOM 0 HB2 ASP A 114 10.995 -7.614 2.629 1.00 0.00 H new ATOM 0 HB3 ASP A 114 11.297 -9.229 2.020 1.00 0.00 H new ATOM 1774 N GLU A 115 8.389 -8.855 3.472 1.00 0.00 N ATOM 1775 CA GLU A 115 7.701 -9.679 4.460 1.00 0.00 C ATOM 1776 C GLU A 115 6.397 -10.233 3.892 1.00 0.00 C ATOM 1777 O GLU A 115 6.240 -11.444 3.736 1.00 0.00 O ATOM 1778 CB GLU A 115 7.415 -8.866 5.724 1.00 0.00 C ATOM 1779 CG GLU A 115 8.591 -8.799 6.684 1.00 0.00 C ATOM 1780 CD GLU A 115 8.169 -8.460 8.100 1.00 0.00 C ATOM 1781 OE1 GLU A 115 7.061 -8.870 8.504 1.00 0.00 O ATOM 1782 OE2 GLU A 115 8.949 -7.785 8.805 1.00 0.00 O ATOM 0 H GLU A 115 8.580 -7.901 3.777 1.00 0.00 H new ATOM 0 HA GLU A 115 8.351 -10.516 4.715 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.132 -7.853 5.438 1.00 0.00 H new ATOM 0 HB3 GLU A 115 6.560 -9.302 6.240 1.00 0.00 H new ATOM 0 HG2 GLU A 115 9.111 -9.757 6.683 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.301 -8.051 6.331 1.00 0.00 H new ATOM 1789 N HIS A 116 5.464 -9.337 3.586 1.00 0.00 N ATOM 1790 CA HIS A 116 4.173 -9.736 3.036 1.00 0.00 C ATOM 1791 C HIS A 116 4.328 -10.262 1.612 1.00 0.00 C ATOM 1792 O HIS A 116 3.377 -10.773 1.022 1.00 0.00 O ATOM 1793 CB HIS A 116 3.201 -8.555 3.053 1.00 0.00 C ATOM 1794 CG HIS A 116 2.935 -8.018 4.426 1.00 0.00 C ATOM 1795 ND1 HIS A 116 3.303 -6.750 4.822 1.00 0.00 N ATOM 1796 CD2 HIS A 116 2.332 -8.585 5.497 1.00 0.00 C ATOM 1797 CE1 HIS A 116 2.940 -6.560 6.078 1.00 0.00 C ATOM 1798 NE2 HIS A 116 2.348 -7.659 6.510 1.00 0.00 N ATOM 0 H HIS A 116 5.577 -8.331 3.709 1.00 0.00 H new ATOM 0 HA HIS A 116 3.772 -10.536 3.658 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.603 -7.755 2.431 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.257 -8.865 2.604 1.00 0.00 H new ATOM 0 HD1 HIS A 116 3.781 -6.065 4.237 1.00 0.00 H new ATOM 0 HD2 HIS A 116 1.916 -9.580 5.545 1.00 0.00 H new ATOM 0 HE1 HIS A 116 3.100 -5.660 6.653 1.00 0.00 H new