USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 842 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 78 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 81 SER OG : rot 32:sc= 0.269 USER MOD Set 2.1: A 17 GLN : amide:sc= -2.74 K(o=-2.2,f=-1.1!) USER MOD Set 2.2: A 73 TYR OH : rot 62:sc= 0.587 USER MOD Set 3.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 139:sc= 0.00768 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.31 X(o=-1.3,f=-0.85) USER MOD Single : A 19 LYS NZ :NH3+ -164:sc= -0.0144 (180deg=-0.408) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -62:sc= 1.22 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0643 K(o=-0.064,f=-0.59) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 44 GLN : amide:sc= -0.0297 X(o=-0.03,f=0) USER MOD Single : A 48 ASN : amide:sc= -2.83! C(o=-2.8!,f=-4.3!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -2.3! C(o=-2.3!,f=-5!) USER MOD Single : A 79 GLN : amide:sc= -0.0136 X(o=-0.014,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 51:sc= 0.0638 USER MOD Single : A 95 GLN : amide:sc=-0.00116 X(o=-0.0012,f=0) USER MOD Single : A 105 GLN : amide:sc= -0.0772 K(o=-0.077,f=-0.91) USER MOD Single : A 107 SER OG : rot 180:sc= -0.0221 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.482 45.625 11.282 1.00 0.00 N ATOM 2 CA GLY A 1 -15.101 44.708 12.342 1.00 0.00 C ATOM 3 C GLY A 1 -16.294 44.389 13.246 1.00 0.00 C ATOM 4 O GLY A 1 -17.071 45.278 13.591 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.729 46.329 11.144 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.626 45.095 10.399 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.365 46.109 11.543 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.712 43.787 11.908 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.298 45.145 12.935 1.00 0.00 H new ATOM 8 N SER A 2 -16.401 43.118 13.603 1.00 0.00 N ATOM 9 CA SER A 2 -17.486 42.670 14.460 1.00 0.00 C ATOM 10 C SER A 2 -17.247 41.223 14.895 1.00 0.00 C ATOM 11 O SER A 2 -16.323 40.571 14.412 1.00 0.00 O ATOM 12 CB SER A 2 -18.836 42.795 13.751 1.00 0.00 C ATOM 13 OG SER A 2 -19.012 41.787 12.758 1.00 0.00 O ATOM 0 H SER A 2 -15.754 42.384 13.315 1.00 0.00 H new ATOM 0 HA SER A 2 -17.509 43.309 15.343 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.639 42.725 14.485 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.912 43.778 13.287 1.00 0.00 H new ATOM 0 HG SER A 2 -19.886 41.899 12.329 1.00 0.00 H new ATOM 19 N SER A 3 -18.096 40.764 15.803 1.00 0.00 N ATOM 20 CA SER A 3 -17.988 39.406 16.309 1.00 0.00 C ATOM 21 C SER A 3 -16.751 39.276 17.200 1.00 0.00 C ATOM 22 O SER A 3 -16.865 38.954 18.382 1.00 0.00 O ATOM 23 CB SER A 3 -17.924 38.395 15.162 1.00 0.00 C ATOM 24 OG SER A 3 -18.849 38.706 14.123 1.00 0.00 O ATOM 0 H SER A 3 -18.861 41.308 16.201 1.00 0.00 H new ATOM 0 HA SER A 3 -18.878 39.189 16.900 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.914 38.374 14.753 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.133 37.397 15.547 1.00 0.00 H new ATOM 0 HG SER A 3 -18.776 38.038 13.409 1.00 0.00 H new ATOM 30 N GLY A 4 -15.598 39.532 16.600 1.00 0.00 N ATOM 31 CA GLY A 4 -14.342 39.447 17.325 1.00 0.00 C ATOM 32 C GLY A 4 -14.050 38.007 17.749 1.00 0.00 C ATOM 33 O GLY A 4 -14.638 37.067 17.216 1.00 0.00 O ATOM 0 H GLY A 4 -15.507 39.798 15.620 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.531 39.817 16.698 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.382 40.088 18.206 1.00 0.00 H new ATOM 37 N SER A 5 -13.141 37.878 18.705 1.00 0.00 N ATOM 38 CA SER A 5 -12.763 36.568 19.207 1.00 0.00 C ATOM 39 C SER A 5 -12.187 35.719 18.072 1.00 0.00 C ATOM 40 O SER A 5 -12.514 35.932 16.905 1.00 0.00 O ATOM 41 CB SER A 5 -13.958 35.858 19.847 1.00 0.00 C ATOM 42 OG SER A 5 -13.551 34.909 20.829 1.00 0.00 O ATOM 0 H SER A 5 -12.655 38.660 19.145 1.00 0.00 H new ATOM 0 HA SER A 5 -12.001 36.702 19.974 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.615 36.596 20.307 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.537 35.354 19.073 1.00 0.00 H new ATOM 0 HG SER A 5 -14.342 34.478 21.215 1.00 0.00 H new ATOM 48 N SER A 6 -11.340 34.774 18.454 1.00 0.00 N ATOM 49 CA SER A 6 -10.715 33.892 17.483 1.00 0.00 C ATOM 50 C SER A 6 -10.735 32.451 17.997 1.00 0.00 C ATOM 51 O SER A 6 -11.106 31.533 17.267 1.00 0.00 O ATOM 52 CB SER A 6 -9.280 34.329 17.185 1.00 0.00 C ATOM 53 OG SER A 6 -9.027 34.414 15.785 1.00 0.00 O ATOM 0 H SER A 6 -11.072 34.600 19.423 1.00 0.00 H new ATOM 0 HA SER A 6 -11.283 33.948 16.554 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.093 35.299 17.647 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.585 33.622 17.637 1.00 0.00 H new ATOM 0 HG SER A 6 -8.101 34.698 15.637 1.00 0.00 H new ATOM 59 N GLY A 7 -10.332 32.297 19.249 1.00 0.00 N ATOM 60 CA GLY A 7 -10.299 30.984 19.869 1.00 0.00 C ATOM 61 C GLY A 7 -9.279 30.077 19.178 1.00 0.00 C ATOM 62 O GLY A 7 -8.589 30.504 18.253 1.00 0.00 O ATOM 0 H GLY A 7 -10.025 33.061 19.852 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.047 31.083 20.925 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.288 30.529 19.819 1.00 0.00 H new ATOM 66 N ALA A 8 -9.215 28.841 19.653 1.00 0.00 N ATOM 67 CA ALA A 8 -8.291 27.871 19.092 1.00 0.00 C ATOM 68 C ALA A 8 -8.690 27.569 17.646 1.00 0.00 C ATOM 69 O ALA A 8 -9.839 27.778 17.259 1.00 0.00 O ATOM 70 CB ALA A 8 -8.276 26.615 19.966 1.00 0.00 C ATOM 0 H ALA A 8 -9.788 28.490 20.420 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.277 28.271 19.078 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.583 25.887 19.545 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.958 26.878 20.975 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.277 26.184 20.001 1.00 0.00 H new ATOM 76 N ILE A 9 -7.719 27.083 16.887 1.00 0.00 N ATOM 77 CA ILE A 9 -7.955 26.751 15.492 1.00 0.00 C ATOM 78 C ILE A 9 -8.858 25.519 15.411 1.00 0.00 C ATOM 79 O ILE A 9 -8.827 24.663 16.294 1.00 0.00 O ATOM 80 CB ILE A 9 -6.628 26.590 14.748 1.00 0.00 C ATOM 81 CG1 ILE A 9 -5.728 27.809 14.962 1.00 0.00 C ATOM 82 CG2 ILE A 9 -6.862 26.304 13.263 1.00 0.00 C ATOM 83 CD1 ILE A 9 -4.252 27.435 14.807 1.00 0.00 C ATOM 0 H ILE A 9 -6.767 26.911 17.211 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.479 27.565 14.990 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.107 25.728 15.163 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.987 28.587 14.244 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.900 28.222 15.956 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.902 26.194 12.758 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.436 25.384 13.156 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.415 27.130 12.816 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.634 28.319 14.964 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.990 26.674 15.542 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.079 27.045 13.804 1.00 0.00 H new ATOM 95 N TYR A 10 -9.642 25.468 14.344 1.00 0.00 N ATOM 96 CA TYR A 10 -10.553 24.355 14.137 1.00 0.00 C ATOM 97 C TYR A 10 -10.252 23.639 12.819 1.00 0.00 C ATOM 98 O TYR A 10 -11.166 23.311 12.064 1.00 0.00 O ATOM 99 CB TYR A 10 -11.954 24.965 14.063 1.00 0.00 C ATOM 100 CG TYR A 10 -12.019 26.286 13.294 1.00 0.00 C ATOM 101 CD1 TYR A 10 -11.541 26.356 12.001 1.00 0.00 C ATOM 102 CD2 TYR A 10 -12.555 27.408 13.893 1.00 0.00 C ATOM 103 CE1 TYR A 10 -11.601 27.599 11.277 1.00 0.00 C ATOM 104 CE2 TYR A 10 -12.615 28.652 13.169 1.00 0.00 C ATOM 105 CZ TYR A 10 -12.135 28.686 11.897 1.00 0.00 C ATOM 106 OH TYR A 10 -12.192 29.860 11.213 1.00 0.00 O ATOM 0 H TYR A 10 -9.665 26.180 13.614 1.00 0.00 H new ATOM 0 HA TYR A 10 -10.457 23.625 14.941 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -12.626 24.249 13.591 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -12.322 25.128 15.076 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -11.122 25.478 11.532 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -12.929 27.353 14.905 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -11.231 27.667 10.265 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.032 29.537 13.626 1.00 0.00 H new ATOM 0 HH TYR A 10 -12.598 30.549 11.779 1.00 0.00 H new ATOM 116 N VAL A 11 -8.967 23.417 12.583 1.00 0.00 N ATOM 117 CA VAL A 11 -8.534 22.746 11.369 1.00 0.00 C ATOM 118 C VAL A 11 -7.015 22.571 11.403 1.00 0.00 C ATOM 119 O VAL A 11 -6.276 23.549 11.500 1.00 0.00 O ATOM 120 CB VAL A 11 -9.020 23.519 10.142 1.00 0.00 C ATOM 121 CG1 VAL A 11 -7.918 24.428 9.595 1.00 0.00 C ATOM 122 CG2 VAL A 11 -9.532 22.565 9.060 1.00 0.00 C ATOM 0 H VAL A 11 -8.212 23.690 13.212 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.974 21.751 11.304 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.852 24.151 10.452 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.290 24.966 8.723 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.621 25.142 10.363 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.057 23.824 9.309 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.872 23.140 8.199 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.728 21.895 8.755 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.362 21.979 9.455 1.00 0.00 H new ATOM 132 N ASP A 12 -6.594 21.317 11.321 1.00 0.00 N ATOM 133 CA ASP A 12 -5.175 21.001 11.341 1.00 0.00 C ATOM 134 C ASP A 12 -4.772 20.400 9.993 1.00 0.00 C ATOM 135 O ASP A 12 -5.297 20.793 8.952 1.00 0.00 O ATOM 136 CB ASP A 12 -4.855 19.976 12.430 1.00 0.00 C ATOM 137 CG ASP A 12 -3.453 20.090 13.032 1.00 0.00 C ATOM 138 OD1 ASP A 12 -2.985 21.241 13.168 1.00 0.00 O ATOM 139 OD2 ASP A 12 -2.880 19.023 13.343 1.00 0.00 O ATOM 0 H ASP A 12 -7.210 20.508 11.241 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.627 21.922 11.540 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.587 20.078 13.231 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.975 18.976 12.014 1.00 0.00 H new ATOM 144 N LEU A 13 -3.844 19.457 10.055 1.00 0.00 N ATOM 145 CA LEU A 13 -3.365 18.798 8.852 1.00 0.00 C ATOM 146 C LEU A 13 -4.454 17.865 8.318 1.00 0.00 C ATOM 147 O LEU A 13 -5.062 17.115 9.080 1.00 0.00 O ATOM 148 CB LEU A 13 -2.032 18.096 9.121 1.00 0.00 C ATOM 149 CG LEU A 13 -2.038 16.572 8.988 1.00 0.00 C ATOM 150 CD1 LEU A 13 -1.907 16.149 7.523 1.00 0.00 C ATOM 151 CD2 LEU A 13 -0.955 15.941 9.865 1.00 0.00 C ATOM 0 H LEU A 13 -3.411 19.133 10.920 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.162 19.531 8.071 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.287 18.498 8.434 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.706 18.352 10.129 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.999 16.202 9.346 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.914 15.061 7.456 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.743 16.553 6.952 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.971 16.531 7.116 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.981 14.857 9.752 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.023 16.314 9.561 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.134 16.201 10.908 1.00 0.00 H new ATOM 163 N PRO A 14 -4.672 17.945 6.978 1.00 0.00 N ATOM 164 CA PRO A 14 -5.678 17.117 6.334 1.00 0.00 C ATOM 165 C PRO A 14 -5.196 15.671 6.204 1.00 0.00 C ATOM 166 O PRO A 14 -3.997 15.419 6.101 1.00 0.00 O ATOM 167 CB PRO A 14 -5.931 17.781 4.990 1.00 0.00 C ATOM 168 CG PRO A 14 -4.733 18.682 4.738 1.00 0.00 C ATOM 169 CD PRO A 14 -3.971 18.822 6.045 1.00 0.00 C ATOM 0 HA PRO A 14 -6.600 17.050 6.911 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.033 17.037 4.200 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.856 18.357 5.007 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.092 18.257 3.966 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.059 19.659 4.380 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.929 18.525 5.929 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.972 19.854 6.395 1.00 0.00 H new ATOM 177 N ASN A 15 -6.156 14.758 6.213 1.00 0.00 N ATOM 178 CA ASN A 15 -5.845 13.343 6.098 1.00 0.00 C ATOM 179 C ASN A 15 -6.955 12.644 5.310 1.00 0.00 C ATOM 180 O ASN A 15 -8.079 13.139 5.242 1.00 0.00 O ATOM 181 CB ASN A 15 -5.757 12.685 7.476 1.00 0.00 C ATOM 182 CG ASN A 15 -5.263 13.679 8.529 1.00 0.00 C ATOM 183 OD1 ASN A 15 -4.116 13.662 8.946 1.00 0.00 O ATOM 184 ND2 ASN A 15 -6.188 14.544 8.933 1.00 0.00 N ATOM 0 H ASN A 15 -7.150 14.971 6.298 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.884 13.249 5.591 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.736 12.303 7.763 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.081 11.831 7.432 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.956 15.249 9.633 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.130 14.503 8.543 1.00 0.00 H new ATOM 191 N ARG A 16 -6.600 11.505 4.735 1.00 0.00 N ATOM 192 CA ARG A 16 -7.552 10.733 3.954 1.00 0.00 C ATOM 193 C ARG A 16 -7.241 9.239 4.065 1.00 0.00 C ATOM 194 O ARG A 16 -6.080 8.837 4.008 1.00 0.00 O ATOM 195 CB ARG A 16 -7.520 11.146 2.481 1.00 0.00 C ATOM 196 CG ARG A 16 -8.669 10.498 1.705 1.00 0.00 C ATOM 197 CD ARG A 16 -10.007 11.149 2.061 1.00 0.00 C ATOM 198 NE ARG A 16 -10.150 12.436 1.344 1.00 0.00 N ATOM 199 CZ ARG A 16 -11.125 13.324 1.583 1.00 0.00 C ATOM 200 NH1 ARG A 16 -12.047 13.071 2.521 1.00 0.00 N ATOM 201 NH2 ARG A 16 -11.177 14.466 0.883 1.00 0.00 N ATOM 0 H ARG A 16 -5.667 11.098 4.794 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.547 10.931 4.353 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.589 12.231 2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.567 10.855 2.038 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.488 10.592 0.634 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.708 9.432 1.929 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.827 10.482 1.796 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.066 11.314 3.137 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.464 12.661 0.623 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.007 12.202 3.054 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.789 13.747 2.702 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.475 14.659 0.169 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -11.919 15.142 1.065 1.00 0.00 H new ATOM 215 N GLN A 17 -8.299 8.457 4.221 1.00 0.00 N ATOM 216 CA GLN A 17 -8.154 7.016 4.340 1.00 0.00 C ATOM 217 C GLN A 17 -9.000 6.308 3.281 1.00 0.00 C ATOM 218 O GLN A 17 -10.102 6.752 2.962 1.00 0.00 O ATOM 219 CB GLN A 17 -8.527 6.542 5.746 1.00 0.00 C ATOM 220 CG GLN A 17 -7.814 5.233 6.090 1.00 0.00 C ATOM 221 CD GLN A 17 -8.505 4.522 7.256 1.00 0.00 C ATOM 222 OE1 GLN A 17 -8.124 4.647 8.408 1.00 0.00 O ATOM 223 NE2 GLN A 17 -9.540 3.769 6.893 1.00 0.00 N ATOM 0 H GLN A 17 -9.261 8.794 4.268 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.108 6.761 4.171 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.261 7.308 6.474 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.606 6.401 5.812 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.803 4.581 5.217 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.775 5.438 6.348 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.807 3.708 5.910 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.067 3.253 7.597 1.00 0.00 H new ATOM 232 N LEU A 18 -8.453 5.217 2.764 1.00 0.00 N ATOM 233 CA LEU A 18 -9.143 4.443 1.746 1.00 0.00 C ATOM 234 C LEU A 18 -8.951 2.952 2.028 1.00 0.00 C ATOM 235 O LEU A 18 -7.991 2.560 2.690 1.00 0.00 O ATOM 236 CB LEU A 18 -8.689 4.869 0.349 1.00 0.00 C ATOM 237 CG LEU A 18 -8.788 6.363 0.037 1.00 0.00 C ATOM 238 CD1 LEU A 18 -7.624 6.817 -0.846 1.00 0.00 C ATOM 239 CD2 LEU A 18 -10.145 6.706 -0.581 1.00 0.00 C ATOM 0 H LEU A 18 -7.539 4.851 3.031 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.215 4.638 1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.653 4.558 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.282 4.325 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.714 6.913 0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.719 7.883 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.682 6.629 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.641 6.262 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.189 7.774 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.275 6.147 -1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.940 6.442 0.117 1.00 0.00 H new ATOM 251 N LYS A 19 -9.879 2.160 1.512 1.00 0.00 N ATOM 252 CA LYS A 19 -9.824 0.720 1.700 1.00 0.00 C ATOM 253 C LYS A 19 -9.769 0.034 0.334 1.00 0.00 C ATOM 254 O LYS A 19 -10.544 0.364 -0.563 1.00 0.00 O ATOM 255 CB LYS A 19 -10.984 0.249 2.579 1.00 0.00 C ATOM 256 CG LYS A 19 -12.324 0.435 1.864 1.00 0.00 C ATOM 257 CD LYS A 19 -12.758 -0.856 1.167 1.00 0.00 C ATOM 258 CE LYS A 19 -13.913 -0.595 0.198 1.00 0.00 C ATOM 259 NZ LYS A 19 -14.959 0.225 0.848 1.00 0.00 N ATOM 0 H LYS A 19 -10.674 2.488 0.963 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.916 0.440 2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.847 -0.802 2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.986 0.808 3.515 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.085 0.738 2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.241 1.238 1.131 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.914 -1.282 0.625 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.063 -1.591 1.912 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.542 -0.084 -0.690 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.339 -1.542 -0.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.838 0.169 0.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.132 -0.131 1.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.643 1.215 0.897 1.00 0.00 H new ATOM 273 N VAL A 20 -8.846 -0.909 0.217 1.00 0.00 N ATOM 274 CA VAL A 20 -8.680 -1.645 -1.024 1.00 0.00 C ATOM 275 C VAL A 20 -9.241 -3.059 -0.854 1.00 0.00 C ATOM 276 O VAL A 20 -8.793 -3.807 0.013 1.00 0.00 O ATOM 277 CB VAL A 20 -7.209 -1.633 -1.448 1.00 0.00 C ATOM 278 CG1 VAL A 20 -7.026 -2.299 -2.813 1.00 0.00 C ATOM 279 CG2 VAL A 20 -6.653 -0.208 -1.454 1.00 0.00 C ATOM 0 H VAL A 20 -8.205 -1.180 0.962 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.240 -1.167 -1.828 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.644 -2.210 -0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.972 -2.277 -3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.366 -3.333 -2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.609 -1.762 -3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.607 -0.227 -1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.224 0.402 -2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.732 0.218 -0.454 1.00 0.00 H new ATOM 289 N LYS A 21 -10.213 -3.380 -1.694 1.00 0.00 N ATOM 290 CA LYS A 21 -10.840 -4.690 -1.647 1.00 0.00 C ATOM 291 C LYS A 21 -9.942 -5.706 -2.357 1.00 0.00 C ATOM 292 O LYS A 21 -10.156 -6.017 -3.528 1.00 0.00 O ATOM 293 CB LYS A 21 -12.260 -4.625 -2.211 1.00 0.00 C ATOM 294 CG LYS A 21 -13.300 -4.766 -1.097 1.00 0.00 C ATOM 295 CD LYS A 21 -14.697 -4.996 -1.677 1.00 0.00 C ATOM 296 CE LYS A 21 -15.616 -5.655 -0.647 1.00 0.00 C ATOM 297 NZ LYS A 21 -17.001 -5.153 -0.791 1.00 0.00 N ATOM 0 H LYS A 21 -10.582 -2.756 -2.411 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.947 -5.024 -0.615 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.405 -3.678 -2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.400 -5.418 -2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.031 -5.598 -0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.302 -3.867 -0.480 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.124 -4.045 -1.995 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.627 -5.626 -2.564 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.600 -6.737 -0.776 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.251 -5.449 0.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.611 -5.611 -0.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.014 -4.123 -0.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.352 -5.372 -1.745 1.00 0.00 H new ATOM 311 N VAL A 22 -8.957 -6.195 -1.619 1.00 0.00 N ATOM 312 CA VAL A 22 -8.026 -7.169 -2.163 1.00 0.00 C ATOM 313 C VAL A 22 -8.722 -8.527 -2.272 1.00 0.00 C ATOM 314 O VAL A 22 -9.922 -8.636 -2.023 1.00 0.00 O ATOM 315 CB VAL A 22 -6.757 -7.214 -1.309 1.00 0.00 C ATOM 316 CG1 VAL A 22 -6.168 -5.814 -1.129 1.00 0.00 C ATOM 317 CG2 VAL A 22 -7.030 -7.873 0.045 1.00 0.00 C ATOM 0 H VAL A 22 -8.783 -5.935 -0.648 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.715 -6.881 -3.167 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.021 -7.822 -1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.267 -5.874 -0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.918 -5.396 -2.104 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.898 -5.173 -0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.112 -7.892 0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.791 -7.304 0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.382 -8.893 -0.111 1.00 0.00 H new ATOM 327 N ALA A 23 -7.939 -9.530 -2.643 1.00 0.00 N ATOM 328 CA ALA A 23 -8.465 -10.876 -2.788 1.00 0.00 C ATOM 329 C ALA A 23 -7.699 -11.821 -1.860 1.00 0.00 C ATOM 330 O ALA A 23 -8.300 -12.646 -1.173 1.00 0.00 O ATOM 331 CB ALA A 23 -8.379 -11.303 -4.254 1.00 0.00 C ATOM 0 H ALA A 23 -6.944 -9.437 -2.847 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.516 -10.910 -2.500 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.774 -12.313 -4.362 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.963 -10.617 -4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.339 -11.283 -4.578 1.00 0.00 H new ATOM 337 N ASP A 24 -6.383 -11.669 -1.868 1.00 0.00 N ATOM 338 CA ASP A 24 -5.528 -12.498 -1.036 1.00 0.00 C ATOM 339 C ASP A 24 -5.917 -13.967 -1.217 1.00 0.00 C ATOM 340 O ASP A 24 -6.832 -14.456 -0.556 1.00 0.00 O ATOM 341 CB ASP A 24 -5.690 -12.145 0.444 1.00 0.00 C ATOM 342 CG ASP A 24 -4.382 -12.028 1.228 1.00 0.00 C ATOM 343 OD1 ASP A 24 -3.383 -12.613 0.756 1.00 0.00 O ATOM 344 OD2 ASP A 24 -4.410 -11.357 2.282 1.00 0.00 O ATOM 0 H ASP A 24 -5.888 -10.983 -2.438 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.495 -12.325 -1.337 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.227 -11.200 0.520 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.313 -12.904 0.917 1.00 0.00 H new ATOM 349 N ARG A 25 -5.202 -14.628 -2.115 1.00 0.00 N ATOM 350 CA ARG A 25 -5.461 -16.031 -2.391 1.00 0.00 C ATOM 351 C ARG A 25 -4.638 -16.917 -1.454 1.00 0.00 C ATOM 352 O ARG A 25 -3.494 -17.253 -1.757 1.00 0.00 O ATOM 353 CB ARG A 25 -5.120 -16.379 -3.842 1.00 0.00 C ATOM 354 CG ARG A 25 -6.390 -16.548 -4.678 1.00 0.00 C ATOM 355 CD ARG A 25 -6.622 -15.330 -5.575 1.00 0.00 C ATOM 356 NE ARG A 25 -7.776 -15.572 -6.468 1.00 0.00 N ATOM 357 CZ ARG A 25 -7.694 -16.199 -7.650 1.00 0.00 C ATOM 358 NH1 ARG A 25 -6.511 -16.651 -8.087 1.00 0.00 N ATOM 359 NH2 ARG A 25 -8.794 -16.374 -8.394 1.00 0.00 N ATOM 0 H ARG A 25 -4.444 -14.218 -2.661 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.523 -16.211 -2.226 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.499 -15.593 -4.272 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.536 -17.299 -3.872 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.309 -17.446 -5.291 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.247 -16.688 -4.019 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.804 -14.447 -4.963 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.729 -15.129 -6.167 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.692 -15.241 -6.165 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.673 -16.518 -7.520 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.448 -17.128 -8.986 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.695 -16.030 -8.061 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.731 -16.851 -9.293 1.00 0.00 H new ATOM 373 N ARG A 26 -5.252 -17.271 -0.335 1.00 0.00 N ATOM 374 CA ARG A 26 -4.590 -18.112 0.648 1.00 0.00 C ATOM 375 C ARG A 26 -3.771 -19.200 -0.049 1.00 0.00 C ATOM 376 O ARG A 26 -4.310 -20.233 -0.440 1.00 0.00 O ATOM 377 CB ARG A 26 -5.606 -18.769 1.584 1.00 0.00 C ATOM 378 CG ARG A 26 -5.033 -18.924 2.994 1.00 0.00 C ATOM 379 CD ARG A 26 -4.812 -20.398 3.338 1.00 0.00 C ATOM 380 NE ARG A 26 -3.540 -20.560 4.077 1.00 0.00 N ATOM 381 CZ ARG A 26 -3.236 -21.631 4.823 1.00 0.00 C ATOM 382 NH1 ARG A 26 -4.110 -22.641 4.934 1.00 0.00 N ATOM 383 NH2 ARG A 26 -2.058 -21.693 5.459 1.00 0.00 N ATOM 0 H ARG A 26 -6.201 -16.991 -0.087 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.929 -17.476 1.237 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.514 -18.167 1.621 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.887 -19.747 1.192 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.089 -18.384 3.068 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.714 -18.476 3.718 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.642 -20.768 3.940 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.790 -20.994 2.425 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.852 -19.810 4.015 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.007 -22.595 4.451 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.878 -23.456 5.502 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.392 -20.925 5.375 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.827 -22.508 6.027 1.00 0.00 H new ATOM 397 N VAL A 27 -2.480 -18.929 -0.183 1.00 0.00 N ATOM 398 CA VAL A 27 -1.581 -19.872 -0.827 1.00 0.00 C ATOM 399 C VAL A 27 -0.747 -20.584 0.240 1.00 0.00 C ATOM 400 O VAL A 27 -0.223 -19.945 1.152 1.00 0.00 O ATOM 401 CB VAL A 27 -0.727 -19.151 -1.871 1.00 0.00 C ATOM 402 CG1 VAL A 27 0.030 -17.978 -1.246 1.00 0.00 C ATOM 403 CG2 VAL A 27 0.236 -20.122 -2.557 1.00 0.00 C ATOM 0 H VAL A 27 -2.036 -18.071 0.143 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.146 -20.636 -1.361 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.397 -18.750 -2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.629 -17.483 -2.010 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.682 -17.267 -0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.683 -18.347 -0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.831 -19.584 -3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.896 -20.567 -1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.333 -20.908 -3.054 1.00 0.00 H new ATOM 413 N ILE A 28 -0.649 -21.896 0.091 1.00 0.00 N ATOM 414 CA ILE A 28 0.113 -22.701 1.031 1.00 0.00 C ATOM 415 C ILE A 28 1.596 -22.645 0.658 1.00 0.00 C ATOM 416 O ILE A 28 1.956 -22.121 -0.395 1.00 0.00 O ATOM 417 CB ILE A 28 -0.450 -24.122 1.099 1.00 0.00 C ATOM 418 CG1 ILE A 28 -0.291 -24.840 -0.243 1.00 0.00 C ATOM 419 CG2 ILE A 28 -1.904 -24.114 1.575 1.00 0.00 C ATOM 420 CD1 ILE A 28 0.341 -26.221 -0.055 1.00 0.00 C ATOM 0 H ILE A 28 -1.084 -22.422 -0.666 1.00 0.00 H new ATOM 0 HA ILE A 28 0.021 -22.298 2.040 1.00 0.00 H new ATOM 0 HB ILE A 28 0.127 -24.682 1.835 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.265 -24.944 -0.721 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.329 -24.240 -0.909 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.280 -25.136 1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.959 -23.669 2.568 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.511 -23.531 0.882 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.443 -26.710 -1.024 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.325 -26.112 0.401 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.294 -26.827 0.592 1.00 0.00 H new ATOM 432 N SER A 29 2.417 -23.193 1.543 1.00 0.00 N ATOM 433 CA SER A 29 3.852 -23.211 1.320 1.00 0.00 C ATOM 434 C SER A 29 4.466 -21.878 1.753 1.00 0.00 C ATOM 435 O SER A 29 5.222 -21.824 2.722 1.00 0.00 O ATOM 436 CB SER A 29 4.179 -23.494 -0.147 1.00 0.00 C ATOM 437 OG SER A 29 5.367 -24.268 -0.291 1.00 0.00 O ATOM 0 H SER A 29 2.115 -23.627 2.415 1.00 0.00 H new ATOM 0 HA SER A 29 4.280 -24.013 1.920 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.345 -24.022 -0.609 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.294 -22.551 -0.681 1.00 0.00 H new ATOM 0 HG SER A 29 5.540 -24.428 -1.242 1.00 0.00 H new ATOM 443 N THR A 30 4.119 -20.835 1.012 1.00 0.00 N ATOM 444 CA THR A 30 4.626 -19.506 1.307 1.00 0.00 C ATOM 445 C THR A 30 6.118 -19.567 1.644 1.00 0.00 C ATOM 446 O THR A 30 6.591 -18.840 2.516 1.00 0.00 O ATOM 447 CB THR A 30 3.774 -18.913 2.430 1.00 0.00 C ATOM 448 OG1 THR A 30 4.412 -17.676 2.734 1.00 0.00 O ATOM 449 CG2 THR A 30 3.876 -19.714 3.730 1.00 0.00 C ATOM 0 H THR A 30 3.493 -20.884 0.208 1.00 0.00 H new ATOM 0 HA THR A 30 4.547 -18.851 0.439 1.00 0.00 H new ATOM 0 HB THR A 30 2.733 -18.871 2.111 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.321 -17.848 3.057 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.252 -19.250 4.493 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.537 -20.735 3.556 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.912 -19.729 4.068 1.00 0.00 H new ATOM 457 N THR A 31 6.816 -20.442 0.936 1.00 0.00 N ATOM 458 CA THR A 31 8.244 -20.608 1.149 1.00 0.00 C ATOM 459 C THR A 31 9.034 -19.867 0.068 1.00 0.00 C ATOM 460 O THR A 31 8.476 -19.476 -0.956 1.00 0.00 O ATOM 461 CB THR A 31 8.544 -22.107 1.200 1.00 0.00 C ATOM 462 OG1 THR A 31 9.688 -22.204 2.044 1.00 0.00 O ATOM 463 CG2 THR A 31 9.025 -22.654 -0.145 1.00 0.00 C ATOM 0 H THR A 31 6.420 -21.044 0.214 1.00 0.00 H new ATOM 0 HA THR A 31 8.556 -20.167 2.096 1.00 0.00 H new ATOM 0 HB THR A 31 7.649 -22.646 1.511 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.950 -23.144 2.133 1.00 0.00 H new ATOM 0 HG21 THR A 31 9.224 -23.722 -0.053 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.256 -22.491 -0.900 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.939 -22.139 -0.441 1.00 0.00 H new ATOM 471 N ASP A 32 10.321 -19.696 0.333 1.00 0.00 N ATOM 472 CA ASP A 32 11.193 -19.009 -0.604 1.00 0.00 C ATOM 473 C ASP A 32 10.605 -17.634 -0.928 1.00 0.00 C ATOM 474 O ASP A 32 9.502 -17.308 -0.491 1.00 0.00 O ATOM 475 CB ASP A 32 11.319 -19.790 -1.913 1.00 0.00 C ATOM 476 CG ASP A 32 12.732 -19.851 -2.496 1.00 0.00 C ATOM 477 OD1 ASP A 32 13.673 -20.009 -1.689 1.00 0.00 O ATOM 478 OD2 ASP A 32 12.840 -19.739 -3.737 1.00 0.00 O ATOM 0 H ASP A 32 10.781 -20.021 1.183 1.00 0.00 H new ATOM 0 HA ASP A 32 12.177 -18.916 -0.143 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.967 -20.808 -1.747 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.656 -19.340 -2.652 1.00 0.00 H new ATOM 483 N ALA A 33 11.366 -16.865 -1.692 1.00 0.00 N ATOM 484 CA ALA A 33 10.934 -15.533 -2.080 1.00 0.00 C ATOM 485 C ALA A 33 10.792 -14.663 -0.830 1.00 0.00 C ATOM 486 O ALA A 33 9.691 -14.491 -0.310 1.00 0.00 O ATOM 487 CB ALA A 33 9.629 -15.631 -2.873 1.00 0.00 C ATOM 0 H ALA A 33 12.280 -17.139 -2.053 1.00 0.00 H new ATOM 0 HA ALA A 33 11.675 -15.062 -2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.304 -14.632 -3.164 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.790 -16.235 -3.766 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.861 -16.096 -2.254 1.00 0.00 H new ATOM 493 N GLU A 34 11.924 -14.138 -0.382 1.00 0.00 N ATOM 494 CA GLU A 34 11.940 -13.290 0.798 1.00 0.00 C ATOM 495 C GLU A 34 13.360 -12.791 1.073 1.00 0.00 C ATOM 496 O GLU A 34 14.223 -13.561 1.491 1.00 0.00 O ATOM 497 CB GLU A 34 11.374 -14.029 2.012 1.00 0.00 C ATOM 498 CG GLU A 34 10.008 -13.465 2.409 1.00 0.00 C ATOM 499 CD GLU A 34 9.063 -14.582 2.855 1.00 0.00 C ATOM 500 OE1 GLU A 34 9.509 -15.408 3.681 1.00 0.00 O ATOM 501 OE2 GLU A 34 7.915 -14.585 2.361 1.00 0.00 O ATOM 0 H GLU A 34 12.836 -14.284 -0.815 1.00 0.00 H new ATOM 0 HA GLU A 34 11.302 -12.426 0.610 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.281 -15.091 1.785 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.065 -13.942 2.850 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.129 -12.742 3.216 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.572 -12.930 1.565 1.00 0.00 H new ATOM 508 N ARG A 35 13.558 -11.504 0.827 1.00 0.00 N ATOM 509 CA ARG A 35 14.858 -10.892 1.043 1.00 0.00 C ATOM 510 C ARG A 35 14.841 -10.044 2.316 1.00 0.00 C ATOM 511 O ARG A 35 13.928 -10.161 3.133 1.00 0.00 O ATOM 512 CB ARG A 35 15.257 -10.012 -0.143 1.00 0.00 C ATOM 513 CG ARG A 35 16.671 -10.345 -0.621 1.00 0.00 C ATOM 514 CD ARG A 35 17.116 -9.385 -1.727 1.00 0.00 C ATOM 515 NE ARG A 35 18.387 -9.854 -2.323 1.00 0.00 N ATOM 516 CZ ARG A 35 19.071 -9.182 -3.259 1.00 0.00 C ATOM 517 NH1 ARG A 35 18.610 -8.007 -3.711 1.00 0.00 N ATOM 518 NH2 ARG A 35 20.215 -9.684 -3.743 1.00 0.00 N ATOM 0 H ARG A 35 12.840 -10.868 0.480 1.00 0.00 H new ATOM 0 HA ARG A 35 15.588 -11.694 1.147 1.00 0.00 H new ATOM 0 HB2 ARG A 35 14.550 -10.154 -0.960 1.00 0.00 H new ATOM 0 HB3 ARG A 35 15.204 -8.962 0.145 1.00 0.00 H new ATOM 0 HG2 ARG A 35 17.365 -10.287 0.217 1.00 0.00 H new ATOM 0 HG3 ARG A 35 16.702 -11.370 -0.990 1.00 0.00 H new ATOM 0 HD2 ARG A 35 16.346 -9.321 -2.496 1.00 0.00 H new ATOM 0 HD3 ARG A 35 17.244 -8.382 -1.320 1.00 0.00 H new ATOM 0 HE ARG A 35 18.766 -10.745 -2.001 1.00 0.00 H new ATOM 0 HH11 ARG A 35 17.739 -7.625 -3.342 1.00 0.00 H new ATOM 0 HH12 ARG A 35 19.130 -7.495 -4.423 1.00 0.00 H new ATOM 0 HH21 ARG A 35 20.566 -10.578 -3.399 1.00 0.00 H new ATOM 0 HH22 ARG A 35 20.735 -9.172 -4.456 1.00 0.00 H new ATOM 532 N GLN A 36 15.860 -9.207 2.446 1.00 0.00 N ATOM 533 CA GLN A 36 15.973 -8.339 3.606 1.00 0.00 C ATOM 534 C GLN A 36 15.056 -7.124 3.451 1.00 0.00 C ATOM 535 O GLN A 36 14.928 -6.318 4.371 1.00 0.00 O ATOM 536 CB GLN A 36 17.424 -7.907 3.827 1.00 0.00 C ATOM 537 CG GLN A 36 17.901 -6.990 2.699 1.00 0.00 C ATOM 538 CD GLN A 36 18.976 -6.021 3.197 1.00 0.00 C ATOM 539 OE1 GLN A 36 18.875 -5.435 4.262 1.00 0.00 O ATOM 540 NE2 GLN A 36 20.008 -5.887 2.369 1.00 0.00 N ATOM 0 H GLN A 36 16.615 -9.112 1.767 1.00 0.00 H new ATOM 0 HA GLN A 36 15.657 -8.898 4.487 1.00 0.00 H new ATOM 0 HB2 GLN A 36 17.512 -7.390 4.783 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.065 -8.787 3.881 1.00 0.00 H new ATOM 0 HG2 GLN A 36 18.299 -7.591 1.881 1.00 0.00 H new ATOM 0 HG3 GLN A 36 17.056 -6.428 2.301 1.00 0.00 H new ATOM 0 HE21 GLN A 36 20.029 -6.408 1.492 1.00 0.00 H new ATOM 0 HE22 GLN A 36 20.778 -5.264 2.611 1.00 0.00 H new ATOM 549 N ALA A 37 14.443 -7.032 2.280 1.00 0.00 N ATOM 550 CA ALA A 37 13.541 -5.929 1.993 1.00 0.00 C ATOM 551 C ALA A 37 12.096 -6.398 2.170 1.00 0.00 C ATOM 552 O ALA A 37 11.672 -7.366 1.539 1.00 0.00 O ATOM 553 CB ALA A 37 13.814 -5.400 0.584 1.00 0.00 C ATOM 0 H ALA A 37 14.553 -7.703 1.519 1.00 0.00 H new ATOM 0 HA ALA A 37 13.708 -5.106 2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 37 13.138 -4.573 0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 37 14.845 -5.052 0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 37 13.654 -6.198 -0.141 1.00 0.00 H new ATOM 559 N VAL A 38 11.379 -5.690 3.030 1.00 0.00 N ATOM 560 CA VAL A 38 9.989 -6.022 3.297 1.00 0.00 C ATOM 561 C VAL A 38 9.169 -5.833 2.020 1.00 0.00 C ATOM 562 O VAL A 38 9.161 -4.750 1.438 1.00 0.00 O ATOM 563 CB VAL A 38 9.469 -5.189 4.470 1.00 0.00 C ATOM 564 CG1 VAL A 38 9.522 -3.694 4.148 1.00 0.00 C ATOM 565 CG2 VAL A 38 8.052 -5.615 4.860 1.00 0.00 C ATOM 0 H VAL A 38 11.734 -4.888 3.551 1.00 0.00 H new ATOM 0 HA VAL A 38 9.896 -7.068 3.591 1.00 0.00 H new ATOM 0 HB VAL A 38 10.121 -5.371 5.324 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.147 -3.125 4.999 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.552 -3.402 3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.905 -3.488 3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.706 -5.007 5.696 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.384 -5.477 4.010 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.055 -6.665 5.152 1.00 0.00 H new ATOM 575 N THR A 39 8.499 -6.905 1.621 1.00 0.00 N ATOM 576 CA THR A 39 7.678 -6.870 0.423 1.00 0.00 C ATOM 577 C THR A 39 6.398 -6.072 0.676 1.00 0.00 C ATOM 578 O THR A 39 5.969 -5.926 1.820 1.00 0.00 O ATOM 579 CB THR A 39 7.417 -8.314 -0.013 1.00 0.00 C ATOM 580 OG1 THR A 39 7.166 -9.005 1.208 1.00 0.00 O ATOM 581 CG2 THR A 39 8.669 -8.991 -0.574 1.00 0.00 C ATOM 0 H THR A 39 8.508 -7.802 2.106 1.00 0.00 H new ATOM 0 HA THR A 39 8.189 -6.356 -0.391 1.00 0.00 H new ATOM 0 HB THR A 39 6.628 -8.329 -0.765 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.985 -9.949 1.018 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.429 -10.013 -0.868 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.024 -8.437 -1.443 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.447 -9.006 0.189 1.00 0.00 H new ATOM 589 N PRO A 40 5.809 -5.562 -0.438 1.00 0.00 N ATOM 590 CA PRO A 40 6.382 -5.781 -1.755 1.00 0.00 C ATOM 591 C PRO A 40 7.619 -4.906 -1.967 1.00 0.00 C ATOM 592 O PRO A 40 7.669 -3.771 -1.495 1.00 0.00 O ATOM 593 CB PRO A 40 5.259 -5.468 -2.731 1.00 0.00 C ATOM 594 CG PRO A 40 4.248 -4.643 -1.951 1.00 0.00 C ATOM 595 CD PRO A 40 4.585 -4.766 -0.474 1.00 0.00 C ATOM 0 HA PRO A 40 6.739 -6.802 -1.893 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.633 -4.915 -3.593 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.806 -6.383 -3.112 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.283 -3.600 -2.265 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.236 -4.999 -2.142 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.736 -3.787 -0.019 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.780 -5.252 0.077 1.00 0.00 H new ATOM 603 N PRO A 41 8.613 -5.481 -2.696 1.00 0.00 N ATOM 604 CA PRO A 41 9.846 -4.766 -2.976 1.00 0.00 C ATOM 605 C PRO A 41 9.629 -3.699 -4.050 1.00 0.00 C ATOM 606 O PRO A 41 9.667 -3.997 -5.243 1.00 0.00 O ATOM 607 CB PRO A 41 10.836 -5.840 -3.397 1.00 0.00 C ATOM 608 CG PRO A 41 10.001 -7.049 -3.784 1.00 0.00 C ATOM 609 CD PRO A 41 8.588 -6.823 -3.271 1.00 0.00 C ATOM 0 HA PRO A 41 10.219 -4.216 -2.112 1.00 0.00 H new ATOM 0 HB2 PRO A 41 11.446 -5.502 -4.235 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.519 -6.082 -2.583 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.998 -7.180 -4.866 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.423 -7.958 -3.354 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.858 -6.895 -4.077 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.314 -7.569 -2.525 1.00 0.00 H new ATOM 617 N GLY A 42 9.407 -2.477 -3.589 1.00 0.00 N ATOM 618 CA GLY A 42 9.184 -1.363 -4.495 1.00 0.00 C ATOM 619 C GLY A 42 8.109 -0.421 -3.952 1.00 0.00 C ATOM 620 O GLY A 42 8.361 0.767 -3.756 1.00 0.00 O ATOM 0 H GLY A 42 9.377 -2.234 -2.599 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.115 -0.814 -4.638 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.883 -1.739 -5.472 1.00 0.00 H new ATOM 624 N LEU A 43 6.932 -0.986 -3.723 1.00 0.00 N ATOM 625 CA LEU A 43 5.818 -0.210 -3.206 1.00 0.00 C ATOM 626 C LEU A 43 6.329 0.760 -2.139 1.00 0.00 C ATOM 627 O LEU A 43 6.188 1.974 -2.280 1.00 0.00 O ATOM 628 CB LEU A 43 4.704 -1.136 -2.712 1.00 0.00 C ATOM 629 CG LEU A 43 3.314 -0.508 -2.592 1.00 0.00 C ATOM 630 CD1 LEU A 43 2.732 -0.195 -3.972 1.00 0.00 C ATOM 631 CD2 LEU A 43 2.381 -1.395 -1.764 1.00 0.00 C ATOM 0 H LEU A 43 6.726 -1.972 -3.886 1.00 0.00 H new ATOM 0 HA LEU A 43 5.373 0.392 -3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.639 -1.987 -3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.990 -1.527 -1.736 1.00 0.00 H new ATOM 0 HG LEU A 43 3.412 0.439 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.744 0.250 -3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.387 0.503 -4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.650 -1.116 -4.550 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.400 -0.926 -1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.284 -2.369 -2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.794 -1.523 -0.763 1.00 0.00 H new ATOM 643 N GLN A 44 6.911 0.189 -1.095 1.00 0.00 N ATOM 644 CA GLN A 44 7.444 0.988 -0.005 1.00 0.00 C ATOM 645 C GLN A 44 8.365 2.082 -0.549 1.00 0.00 C ATOM 646 O GLN A 44 8.337 3.216 -0.073 1.00 0.00 O ATOM 647 CB GLN A 44 8.176 0.110 1.012 1.00 0.00 C ATOM 648 CG GLN A 44 7.758 0.461 2.441 1.00 0.00 C ATOM 649 CD GLN A 44 6.509 -0.321 2.855 1.00 0.00 C ATOM 650 OE1 GLN A 44 6.578 -1.435 3.347 1.00 0.00 O ATOM 651 NE2 GLN A 44 5.368 0.322 2.627 1.00 0.00 N ATOM 0 H GLN A 44 7.025 -0.818 -0.981 1.00 0.00 H new ATOM 0 HA GLN A 44 6.611 1.466 0.510 1.00 0.00 H new ATOM 0 HB2 GLN A 44 7.960 -0.940 0.814 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.253 0.240 0.902 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.575 0.239 3.128 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.562 1.531 2.514 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.382 1.254 2.212 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.479 -0.116 2.867 1.00 0.00 H new ATOM 660 N GLU A 45 9.159 1.703 -1.540 1.00 0.00 N ATOM 661 CA GLU A 45 10.086 2.638 -2.154 1.00 0.00 C ATOM 662 C GLU A 45 9.322 3.702 -2.945 1.00 0.00 C ATOM 663 O GLU A 45 9.373 4.884 -2.611 1.00 0.00 O ATOM 664 CB GLU A 45 11.090 1.907 -3.047 1.00 0.00 C ATOM 665 CG GLU A 45 11.908 2.897 -3.879 1.00 0.00 C ATOM 666 CD GLU A 45 13.015 2.180 -4.654 1.00 0.00 C ATOM 667 OE1 GLU A 45 12.672 1.215 -5.371 1.00 0.00 O ATOM 668 OE2 GLU A 45 14.179 2.612 -4.512 1.00 0.00 O ATOM 0 H GLU A 45 9.179 0.762 -1.933 1.00 0.00 H new ATOM 0 HA GLU A 45 10.647 3.135 -1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.758 1.305 -2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.561 1.221 -3.708 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.253 3.421 -4.575 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.347 3.651 -3.225 1.00 0.00 H new ATOM 675 N ALA A 46 8.632 3.243 -3.979 1.00 0.00 N ATOM 676 CA ALA A 46 7.859 4.140 -4.820 1.00 0.00 C ATOM 677 C ALA A 46 7.158 5.179 -3.942 1.00 0.00 C ATOM 678 O ALA A 46 7.410 6.376 -4.069 1.00 0.00 O ATOM 679 CB ALA A 46 6.872 3.328 -5.662 1.00 0.00 C ATOM 0 H ALA A 46 8.592 2.261 -4.253 1.00 0.00 H new ATOM 0 HA ALA A 46 8.511 4.676 -5.509 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.292 4.001 -6.293 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.421 2.626 -6.289 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.199 2.778 -5.004 1.00 0.00 H new ATOM 685 N ILE A 47 6.293 4.682 -3.070 1.00 0.00 N ATOM 686 CA ILE A 47 5.555 5.553 -2.170 1.00 0.00 C ATOM 687 C ILE A 47 6.539 6.428 -1.392 1.00 0.00 C ATOM 688 O ILE A 47 6.362 7.642 -1.308 1.00 0.00 O ATOM 689 CB ILE A 47 4.622 4.732 -1.277 1.00 0.00 C ATOM 690 CG1 ILE A 47 3.382 4.277 -2.049 1.00 0.00 C ATOM 691 CG2 ILE A 47 4.256 5.507 -0.009 1.00 0.00 C ATOM 692 CD1 ILE A 47 2.913 2.901 -1.572 1.00 0.00 C ATOM 0 H ILE A 47 6.087 3.688 -2.967 1.00 0.00 H new ATOM 0 HA ILE A 47 4.909 6.225 -2.735 1.00 0.00 H new ATOM 0 HB ILE A 47 5.153 3.833 -0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.581 5.004 -1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.607 4.239 -3.115 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.592 4.902 0.608 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.162 5.738 0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.752 6.434 -0.282 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.030 2.601 -2.137 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.708 2.172 -1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.666 2.948 -0.511 1.00 0.00 H new ATOM 704 N ASN A 48 7.554 5.777 -0.843 1.00 0.00 N ATOM 705 CA ASN A 48 8.567 6.482 -0.075 1.00 0.00 C ATOM 706 C ASN A 48 9.144 7.618 -0.921 1.00 0.00 C ATOM 707 O ASN A 48 9.500 8.671 -0.393 1.00 0.00 O ATOM 708 CB ASN A 48 9.716 5.547 0.309 1.00 0.00 C ATOM 709 CG ASN A 48 9.434 4.849 1.641 1.00 0.00 C ATOM 710 OD1 ASN A 48 8.706 5.341 2.487 1.00 0.00 O ATOM 711 ND2 ASN A 48 10.049 3.678 1.778 1.00 0.00 N ATOM 0 H ASN A 48 7.697 4.770 -0.914 1.00 0.00 H new ATOM 0 HA ASN A 48 8.097 6.867 0.830 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.859 4.801 -0.473 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.643 6.115 0.381 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.925 3.133 2.631 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.645 3.324 1.030 1.00 0.00 H new ATOM 718 N ASP A 49 9.218 7.368 -2.220 1.00 0.00 N ATOM 719 CA ASP A 49 9.746 8.357 -3.144 1.00 0.00 C ATOM 720 C ASP A 49 8.684 9.430 -3.397 1.00 0.00 C ATOM 721 O ASP A 49 9.014 10.588 -3.649 1.00 0.00 O ATOM 722 CB ASP A 49 10.104 7.720 -4.488 1.00 0.00 C ATOM 723 CG ASP A 49 11.487 8.085 -5.029 1.00 0.00 C ATOM 724 OD1 ASP A 49 12.451 7.980 -4.239 1.00 0.00 O ATOM 725 OD2 ASP A 49 11.551 8.460 -6.219 1.00 0.00 O ATOM 0 H ASP A 49 8.921 6.494 -2.655 1.00 0.00 H new ATOM 0 HA ASP A 49 10.643 8.789 -2.700 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.045 6.636 -4.387 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.354 8.013 -5.223 1.00 0.00 H new ATOM 730 N LEU A 50 7.431 9.006 -3.321 1.00 0.00 N ATOM 731 CA LEU A 50 6.319 9.916 -3.538 1.00 0.00 C ATOM 732 C LEU A 50 6.146 10.806 -2.306 1.00 0.00 C ATOM 733 O LEU A 50 5.985 12.020 -2.430 1.00 0.00 O ATOM 734 CB LEU A 50 5.057 9.139 -3.918 1.00 0.00 C ATOM 735 CG LEU A 50 4.838 8.905 -5.414 1.00 0.00 C ATOM 736 CD1 LEU A 50 3.914 7.709 -5.652 1.00 0.00 C ATOM 737 CD2 LEU A 50 4.322 10.173 -6.097 1.00 0.00 C ATOM 0 H LEU A 50 7.161 8.045 -3.112 1.00 0.00 H new ATOM 0 HA LEU A 50 6.525 10.575 -4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.087 8.170 -3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.193 9.674 -3.524 1.00 0.00 H new ATOM 0 HG LEU A 50 5.800 8.664 -5.867 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.775 7.564 -6.723 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.360 6.813 -5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.948 7.896 -5.183 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.175 9.980 -7.160 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.374 10.469 -5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.049 10.975 -5.972 1.00 0.00 H new ATOM 749 N VAL A 51 6.184 10.169 -1.145 1.00 0.00 N ATOM 750 CA VAL A 51 6.033 10.889 0.109 1.00 0.00 C ATOM 751 C VAL A 51 6.966 12.102 0.111 1.00 0.00 C ATOM 752 O VAL A 51 6.689 13.100 0.774 1.00 0.00 O ATOM 753 CB VAL A 51 6.279 9.944 1.287 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.332 10.716 2.607 1.00 0.00 C ATOM 755 CG2 VAL A 51 5.217 8.843 1.337 1.00 0.00 C ATOM 0 H VAL A 51 6.317 9.163 -1.046 1.00 0.00 H new ATOM 0 HA VAL A 51 5.014 11.262 0.215 1.00 0.00 H new ATOM 0 HB VAL A 51 7.248 9.468 1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.508 10.021 3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.141 11.446 2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.385 11.232 2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.415 8.185 2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.231 9.293 1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.248 8.265 0.413 1.00 0.00 H new ATOM 765 N LYS A 52 8.051 11.975 -0.638 1.00 0.00 N ATOM 766 CA LYS A 52 9.026 13.049 -0.731 1.00 0.00 C ATOM 767 C LYS A 52 8.552 14.075 -1.763 1.00 0.00 C ATOM 768 O LYS A 52 8.768 15.274 -1.596 1.00 0.00 O ATOM 769 CB LYS A 52 10.418 12.485 -1.019 1.00 0.00 C ATOM 770 CG LYS A 52 11.148 12.135 0.280 1.00 0.00 C ATOM 771 CD LYS A 52 12.406 12.990 0.449 1.00 0.00 C ATOM 772 CE LYS A 52 12.950 12.888 1.875 1.00 0.00 C ATOM 773 NZ LYS A 52 14.418 13.068 1.884 1.00 0.00 N ATOM 0 H LYS A 52 8.277 11.145 -1.186 1.00 0.00 H new ATOM 0 HA LYS A 52 9.110 13.571 0.222 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.332 11.595 -1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.000 13.214 -1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.482 12.290 1.129 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.419 11.079 0.276 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.169 12.666 -0.259 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.177 14.030 0.217 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.481 13.645 2.504 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.694 11.917 2.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.771 12.996 2.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.862 12.331 1.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.655 14.004 1.499 1.00 0.00 H new ATOM 787 N LYS A 53 7.913 13.565 -2.806 1.00 0.00 N ATOM 788 CA LYS A 53 7.407 14.422 -3.865 1.00 0.00 C ATOM 789 C LYS A 53 6.465 15.467 -3.263 1.00 0.00 C ATOM 790 O LYS A 53 6.501 16.635 -3.648 1.00 0.00 O ATOM 791 CB LYS A 53 6.767 13.583 -4.973 1.00 0.00 C ATOM 792 CG LYS A 53 7.835 12.948 -5.866 1.00 0.00 C ATOM 793 CD LYS A 53 7.195 12.107 -6.973 1.00 0.00 C ATOM 794 CE LYS A 53 5.959 12.805 -7.546 1.00 0.00 C ATOM 795 NZ LYS A 53 5.671 12.309 -8.910 1.00 0.00 N ATOM 0 H LYS A 53 7.734 12.570 -2.940 1.00 0.00 H new ATOM 0 HA LYS A 53 8.225 14.965 -4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.147 12.803 -4.531 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.110 14.210 -5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.454 13.728 -6.309 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.493 12.322 -5.263 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.920 11.933 -7.768 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.915 11.131 -6.577 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.100 12.627 -6.899 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.121 13.883 -7.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.830 12.792 -9.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.485 12.501 -9.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.496 11.284 -8.877 1.00 0.00 H new ATOM 809 N TYR A 54 5.645 15.009 -2.328 1.00 0.00 N ATOM 810 CA TYR A 54 4.696 15.890 -1.669 1.00 0.00 C ATOM 811 C TYR A 54 5.293 16.483 -0.392 1.00 0.00 C ATOM 812 O TYR A 54 6.236 15.929 0.172 1.00 0.00 O ATOM 813 CB TYR A 54 3.496 15.016 -1.299 1.00 0.00 C ATOM 814 CG TYR A 54 2.855 14.302 -2.491 1.00 0.00 C ATOM 815 CD1 TYR A 54 1.975 14.979 -3.309 1.00 0.00 C ATOM 816 CD2 TYR A 54 3.157 12.979 -2.747 1.00 0.00 C ATOM 817 CE1 TYR A 54 1.372 14.307 -4.431 1.00 0.00 C ATOM 818 CE2 TYR A 54 2.554 12.307 -3.868 1.00 0.00 C ATOM 819 CZ TYR A 54 1.691 13.004 -4.655 1.00 0.00 C ATOM 820 OH TYR A 54 1.121 12.369 -5.714 1.00 0.00 O ATOM 0 H TYR A 54 5.618 14.040 -2.011 1.00 0.00 H new ATOM 0 HA TYR A 54 4.424 16.719 -2.323 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.814 14.271 -0.570 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.743 15.637 -0.813 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.738 16.013 -3.108 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.846 12.449 -2.106 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.682 14.826 -5.080 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.782 11.273 -4.079 1.00 0.00 H new ATOM 0 HH TYR A 54 1.442 11.444 -5.752 1.00 0.00 H new ATOM 830 N THR A 55 4.721 17.602 0.027 1.00 0.00 N ATOM 831 CA THR A 55 5.185 18.276 1.228 1.00 0.00 C ATOM 832 C THR A 55 4.610 17.601 2.474 1.00 0.00 C ATOM 833 O THR A 55 3.402 17.393 2.571 1.00 0.00 O ATOM 834 CB THR A 55 4.814 19.756 1.112 1.00 0.00 C ATOM 835 OG1 THR A 55 5.938 20.347 0.466 1.00 0.00 O ATOM 836 CG2 THR A 55 4.757 20.453 2.473 1.00 0.00 C ATOM 0 H THR A 55 3.940 18.059 -0.444 1.00 0.00 H new ATOM 0 HA THR A 55 6.268 18.204 1.329 1.00 0.00 H new ATOM 0 HB THR A 55 3.849 19.850 0.615 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.781 21.307 0.349 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.490 21.501 2.334 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.009 19.967 3.099 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.732 20.388 2.956 1.00 0.00 H new ATOM 844 N LEU A 56 5.503 17.278 3.398 1.00 0.00 N ATOM 845 CA LEU A 56 5.100 16.631 4.635 1.00 0.00 C ATOM 846 C LEU A 56 4.039 15.571 4.329 1.00 0.00 C ATOM 847 O LEU A 56 2.895 15.690 4.763 1.00 0.00 O ATOM 848 CB LEU A 56 4.651 17.672 5.663 1.00 0.00 C ATOM 849 CG LEU A 56 5.744 18.593 6.207 1.00 0.00 C ATOM 850 CD1 LEU A 56 7.127 17.958 6.044 1.00 0.00 C ATOM 851 CD2 LEU A 56 5.669 19.976 5.557 1.00 0.00 C ATOM 0 H LEU A 56 6.505 17.452 3.315 1.00 0.00 H new ATOM 0 HA LEU A 56 5.946 16.114 5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.876 18.290 5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.193 17.150 6.503 1.00 0.00 H new ATOM 0 HG LEU A 56 5.576 18.729 7.275 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.886 18.633 6.439 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.161 17.015 6.590 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.320 17.773 4.987 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.457 20.611 5.961 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.798 19.879 4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.698 20.424 5.767 1.00 0.00 H new ATOM 863 N ALA A 57 4.458 14.559 3.584 1.00 0.00 N ATOM 864 CA ALA A 57 3.559 13.479 3.215 1.00 0.00 C ATOM 865 C ALA A 57 3.902 12.233 4.032 1.00 0.00 C ATOM 866 O ALA A 57 4.996 12.132 4.587 1.00 0.00 O ATOM 867 CB ALA A 57 3.650 13.231 1.708 1.00 0.00 C ATOM 0 H ALA A 57 5.408 14.464 3.226 1.00 0.00 H new ATOM 0 HA ALA A 57 2.527 13.746 3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.976 12.421 1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.367 14.137 1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.672 12.958 1.445 1.00 0.00 H new ATOM 873 N ARG A 58 2.948 11.315 4.082 1.00 0.00 N ATOM 874 CA ARG A 58 3.136 10.079 4.823 1.00 0.00 C ATOM 875 C ARG A 58 2.046 9.070 4.456 1.00 0.00 C ATOM 876 O ARG A 58 0.858 9.372 4.552 1.00 0.00 O ATOM 877 CB ARG A 58 3.102 10.331 6.332 1.00 0.00 C ATOM 878 CG ARG A 58 4.512 10.303 6.924 1.00 0.00 C ATOM 879 CD ARG A 58 4.464 10.156 8.447 1.00 0.00 C ATOM 880 NE ARG A 58 5.428 11.087 9.075 1.00 0.00 N ATOM 881 CZ ARG A 58 5.259 12.415 9.137 1.00 0.00 C ATOM 882 NH1 ARG A 58 4.162 12.976 8.609 1.00 0.00 N ATOM 883 NH2 ARG A 58 6.186 13.182 9.727 1.00 0.00 N ATOM 0 H ARG A 58 2.042 11.402 3.621 1.00 0.00 H new ATOM 0 HA ARG A 58 4.113 9.677 4.556 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.639 11.297 6.533 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.485 9.575 6.817 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.075 9.475 6.493 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.040 11.219 6.660 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.457 10.363 8.809 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.700 9.130 8.729 1.00 0.00 H new ATOM 0 HE ARG A 58 6.274 10.693 9.486 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.456 12.392 8.160 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.033 13.987 8.656 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.021 12.755 10.129 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.057 14.193 9.774 1.00 0.00 H new ATOM 897 N ALA A 59 2.490 7.891 4.045 1.00 0.00 N ATOM 898 CA ALA A 59 1.568 6.835 3.664 1.00 0.00 C ATOM 899 C ALA A 59 1.806 5.611 4.550 1.00 0.00 C ATOM 900 O ALA A 59 2.907 5.417 5.063 1.00 0.00 O ATOM 901 CB ALA A 59 1.738 6.521 2.176 1.00 0.00 C ATOM 0 H ALA A 59 3.477 7.644 3.968 1.00 0.00 H new ATOM 0 HA ALA A 59 0.536 7.154 3.814 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.046 5.729 1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.528 7.415 1.589 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.761 6.195 1.987 1.00 0.00 H new ATOM 907 N PHE A 60 0.757 4.817 4.702 1.00 0.00 N ATOM 908 CA PHE A 60 0.839 3.617 5.517 1.00 0.00 C ATOM 909 C PHE A 60 -0.229 2.601 5.106 1.00 0.00 C ATOM 910 O PHE A 60 -1.132 2.922 4.334 1.00 0.00 O ATOM 911 CB PHE A 60 0.590 4.042 6.965 1.00 0.00 C ATOM 912 CG PHE A 60 1.719 4.880 7.570 1.00 0.00 C ATOM 913 CD1 PHE A 60 2.930 4.313 7.817 1.00 0.00 C ATOM 914 CD2 PHE A 60 1.510 6.192 7.860 1.00 0.00 C ATOM 915 CE1 PHE A 60 3.977 5.091 8.378 1.00 0.00 C ATOM 916 CE2 PHE A 60 2.558 6.970 8.421 1.00 0.00 C ATOM 917 CZ PHE A 60 3.769 6.403 8.668 1.00 0.00 C ATOM 0 H PHE A 60 -0.155 4.981 4.275 1.00 0.00 H new ATOM 0 HA PHE A 60 1.815 3.149 5.392 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.337 4.613 7.011 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.446 3.150 7.575 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.095 3.271 7.586 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.548 6.642 7.664 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.939 4.641 8.574 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.393 8.012 8.651 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.565 6.995 9.094 1.00 0.00 H new ATOM 927 N VAL A 61 -0.092 1.397 5.640 1.00 0.00 N ATOM 928 CA VAL A 61 -1.034 0.332 5.339 1.00 0.00 C ATOM 929 C VAL A 61 -1.202 -0.559 6.571 1.00 0.00 C ATOM 930 O VAL A 61 -0.246 -0.787 7.312 1.00 0.00 O ATOM 931 CB VAL A 61 -0.572 -0.440 4.102 1.00 0.00 C ATOM 932 CG1 VAL A 61 -0.888 0.335 2.821 1.00 0.00 C ATOM 933 CG2 VAL A 61 0.919 -0.773 4.188 1.00 0.00 C ATOM 0 H VAL A 61 0.658 1.135 6.280 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.014 0.745 5.101 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.124 -1.380 4.069 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.549 -0.237 1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.964 0.497 2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.377 1.297 2.843 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.221 -1.322 3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.494 0.150 4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.105 -1.385 5.071 1.00 0.00 H new ATOM 943 N ARG A 62 -2.423 -1.038 6.754 1.00 0.00 N ATOM 944 CA ARG A 62 -2.729 -1.898 7.884 1.00 0.00 C ATOM 945 C ARG A 62 -3.772 -2.945 7.487 1.00 0.00 C ATOM 946 O ARG A 62 -4.917 -2.605 7.192 1.00 0.00 O ATOM 947 CB ARG A 62 -3.257 -1.086 9.068 1.00 0.00 C ATOM 948 CG ARG A 62 -2.146 -0.814 10.084 1.00 0.00 C ATOM 949 CD ARG A 62 -2.411 -1.553 11.398 1.00 0.00 C ATOM 950 NE ARG A 62 -2.320 -0.611 12.536 1.00 0.00 N ATOM 951 CZ ARG A 62 -3.227 0.339 12.799 1.00 0.00 C ATOM 952 NH1 ARG A 62 -4.299 0.480 12.007 1.00 0.00 N ATOM 953 NH2 ARG A 62 -3.062 1.149 13.854 1.00 0.00 N ATOM 0 H ARG A 62 -3.213 -0.847 6.138 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.805 -2.394 8.182 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.668 -0.142 8.712 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.072 -1.627 9.550 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.187 -1.129 9.673 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.075 0.257 10.273 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.399 -2.012 11.374 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.688 -2.359 11.524 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.516 -0.690 13.159 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.424 -0.136 11.204 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.990 1.203 12.207 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.246 1.042 14.456 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.753 1.872 14.054 1.00 0.00 H new ATOM 967 N PRO A 63 -3.327 -4.231 7.493 1.00 0.00 N ATOM 968 CA PRO A 63 -4.209 -5.329 7.137 1.00 0.00 C ATOM 969 C PRO A 63 -5.195 -5.629 8.268 1.00 0.00 C ATOM 970 O PRO A 63 -4.969 -5.241 9.413 1.00 0.00 O ATOM 971 CB PRO A 63 -3.282 -6.495 6.833 1.00 0.00 C ATOM 972 CG PRO A 63 -1.949 -6.146 7.475 1.00 0.00 C ATOM 973 CD PRO A 63 -1.978 -4.670 7.837 1.00 0.00 C ATOM 0 HA PRO A 63 -4.838 -5.102 6.276 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.679 -7.426 7.238 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.172 -6.637 5.758 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.783 -6.754 8.364 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.128 -6.355 6.788 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.770 -4.518 8.896 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -1.226 -4.111 7.281 1.00 0.00 H new ATOM 981 N SER A 64 -6.269 -6.316 7.908 1.00 0.00 N ATOM 982 CA SER A 64 -7.290 -6.672 8.878 1.00 0.00 C ATOM 983 C SER A 64 -6.804 -7.833 9.747 1.00 0.00 C ATOM 984 O SER A 64 -5.617 -8.156 9.751 1.00 0.00 O ATOM 985 CB SER A 64 -8.603 -7.042 8.184 1.00 0.00 C ATOM 986 OG SER A 64 -9.631 -6.089 8.444 1.00 0.00 O ATOM 0 H SER A 64 -6.454 -6.636 6.957 1.00 0.00 H new ATOM 0 HA SER A 64 -7.477 -5.805 9.512 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.438 -7.113 7.109 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.927 -8.026 8.522 1.00 0.00 H new ATOM 0 HG SER A 64 -10.452 -6.359 7.983 1.00 0.00 H new ATOM 992 N GLY A 65 -7.746 -8.429 10.464 1.00 0.00 N ATOM 993 CA GLY A 65 -7.429 -9.547 11.336 1.00 0.00 C ATOM 994 C GLY A 65 -6.585 -10.591 10.603 1.00 0.00 C ATOM 995 O GLY A 65 -5.496 -10.943 11.054 1.00 0.00 O ATOM 0 H GLY A 65 -8.729 -8.158 10.459 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.889 -9.188 12.212 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.350 -10.006 11.695 1.00 0.00 H new ATOM 999 N THR A 66 -7.120 -11.058 9.484 1.00 0.00 N ATOM 1000 CA THR A 66 -6.430 -12.056 8.684 1.00 0.00 C ATOM 1001 C THR A 66 -6.275 -11.569 7.242 1.00 0.00 C ATOM 1002 O THR A 66 -5.170 -11.253 6.805 1.00 0.00 O ATOM 1003 CB THR A 66 -7.200 -13.372 8.802 1.00 0.00 C ATOM 1004 OG1 THR A 66 -6.602 -14.026 9.917 1.00 0.00 O ATOM 1005 CG2 THR A 66 -6.930 -14.316 7.628 1.00 0.00 C ATOM 0 H THR A 66 -8.023 -10.764 9.113 1.00 0.00 H new ATOM 0 HA THR A 66 -5.416 -12.223 9.048 1.00 0.00 H new ATOM 0 HB THR A 66 -8.268 -13.163 8.862 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.043 -14.888 10.066 1.00 0.00 H new ATOM 0 HG21 THR A 66 -7.501 -15.235 7.761 1.00 0.00 H new ATOM 0 HG22 THR A 66 -7.230 -13.834 6.697 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.867 -14.552 7.588 1.00 0.00 H new ATOM 1013 N GLU A 67 -7.400 -11.524 6.543 1.00 0.00 N ATOM 1014 CA GLU A 67 -7.403 -11.081 5.159 1.00 0.00 C ATOM 1015 C GLU A 67 -8.812 -10.655 4.741 1.00 0.00 C ATOM 1016 O GLU A 67 -9.703 -11.492 4.606 1.00 0.00 O ATOM 1017 CB GLU A 67 -6.863 -12.172 4.232 1.00 0.00 C ATOM 1018 CG GLU A 67 -7.680 -13.458 4.366 1.00 0.00 C ATOM 1019 CD GLU A 67 -8.327 -13.838 3.032 1.00 0.00 C ATOM 1020 OE1 GLU A 67 -9.163 -13.037 2.558 1.00 0.00 O ATOM 1021 OE2 GLU A 67 -7.972 -14.919 2.516 1.00 0.00 O ATOM 0 H GLU A 67 -8.315 -11.787 6.909 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.743 -10.218 5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.892 -11.824 3.199 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.819 -12.374 4.471 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.036 -14.269 4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.452 -13.325 5.124 1.00 0.00 H new ATOM 1028 N ASP A 68 -8.970 -9.354 4.549 1.00 0.00 N ATOM 1029 CA ASP A 68 -10.256 -8.807 4.150 1.00 0.00 C ATOM 1030 C ASP A 68 -10.132 -7.291 3.986 1.00 0.00 C ATOM 1031 O ASP A 68 -10.325 -6.542 4.942 1.00 0.00 O ATOM 1032 CB ASP A 68 -11.324 -9.082 5.209 1.00 0.00 C ATOM 1033 CG ASP A 68 -12.730 -9.334 4.660 1.00 0.00 C ATOM 1034 OD1 ASP A 68 -12.867 -9.307 3.418 1.00 0.00 O ATOM 1035 OD2 ASP A 68 -13.636 -9.547 5.495 1.00 0.00 O ATOM 0 H ASP A 68 -8.229 -8.662 4.662 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.547 -9.281 3.213 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.018 -9.949 5.795 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.364 -8.234 5.892 1.00 0.00 H new ATOM 1040 N ILE A 69 -9.810 -6.884 2.767 1.00 0.00 N ATOM 1041 CA ILE A 69 -9.657 -5.470 2.465 1.00 0.00 C ATOM 1042 C ILE A 69 -8.353 -4.960 3.081 1.00 0.00 C ATOM 1043 O ILE A 69 -7.921 -5.450 4.124 1.00 0.00 O ATOM 1044 CB ILE A 69 -10.896 -4.691 2.913 1.00 0.00 C ATOM 1045 CG1 ILE A 69 -12.178 -5.408 2.487 1.00 0.00 C ATOM 1046 CG2 ILE A 69 -10.849 -3.249 2.404 1.00 0.00 C ATOM 1047 CD1 ILE A 69 -13.381 -4.901 3.286 1.00 0.00 C ATOM 0 H ILE A 69 -9.651 -7.508 1.976 1.00 0.00 H new ATOM 0 HA ILE A 69 -9.583 -5.315 1.389 1.00 0.00 H new ATOM 0 HB ILE A 69 -10.898 -4.649 4.002 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -12.351 -5.250 1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -12.065 -6.482 2.635 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -11.741 -2.717 2.736 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -9.962 -2.753 2.798 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -10.811 -3.249 1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -14.280 -5.427 2.964 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -13.215 -5.083 4.348 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -13.506 -3.832 3.116 1.00 0.00 H new ATOM 1059 N VAL A 70 -7.762 -3.982 2.411 1.00 0.00 N ATOM 1060 CA VAL A 70 -6.516 -3.399 2.879 1.00 0.00 C ATOM 1061 C VAL A 70 -6.718 -1.902 3.121 1.00 0.00 C ATOM 1062 O VAL A 70 -6.984 -1.149 2.186 1.00 0.00 O ATOM 1063 CB VAL A 70 -5.393 -3.699 1.885 1.00 0.00 C ATOM 1064 CG1 VAL A 70 -4.267 -2.669 2.004 1.00 0.00 C ATOM 1065 CG2 VAL A 70 -4.859 -5.120 2.073 1.00 0.00 C ATOM 0 H VAL A 70 -8.123 -3.578 1.547 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.218 -3.844 3.829 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.807 -3.628 0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.481 -2.905 1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.661 -1.674 1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.856 -2.694 3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.062 -5.307 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.469 -5.231 3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.666 -5.836 1.915 1.00 0.00 H new ATOM 1075 N ARG A 71 -6.582 -1.515 4.381 1.00 0.00 N ATOM 1076 CA ARG A 71 -6.746 -0.121 4.758 1.00 0.00 C ATOM 1077 C ARG A 71 -5.526 0.693 4.322 1.00 0.00 C ATOM 1078 O ARG A 71 -4.395 0.360 4.673 1.00 0.00 O ATOM 1079 CB ARG A 71 -6.932 0.022 6.270 1.00 0.00 C ATOM 1080 CG ARG A 71 -8.310 -0.485 6.703 1.00 0.00 C ATOM 1081 CD ARG A 71 -9.292 0.676 6.874 1.00 0.00 C ATOM 1082 NE ARG A 71 -10.441 0.248 7.702 1.00 0.00 N ATOM 1083 CZ ARG A 71 -10.432 0.215 9.042 1.00 0.00 C ATOM 1084 NH1 ARG A 71 -9.332 0.585 9.713 1.00 0.00 N ATOM 1085 NH2 ARG A 71 -11.521 -0.188 9.710 1.00 0.00 N ATOM 0 H ARG A 71 -6.360 -2.143 5.154 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.637 0.256 4.256 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.155 -0.538 6.790 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.818 1.067 6.557 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.694 -1.185 5.960 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.222 -1.033 7.641 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.790 1.522 7.343 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.642 1.014 5.899 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.294 -0.040 7.223 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.503 0.891 9.204 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.324 0.560 10.733 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -12.358 -0.470 9.199 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.514 -0.213 10.730 1.00 0.00 H new ATOM 1099 N VAL A 72 -5.797 1.744 3.563 1.00 0.00 N ATOM 1100 CA VAL A 72 -4.736 2.609 3.075 1.00 0.00 C ATOM 1101 C VAL A 72 -4.739 3.913 3.874 1.00 0.00 C ATOM 1102 O VAL A 72 -5.799 4.463 4.168 1.00 0.00 O ATOM 1103 CB VAL A 72 -4.891 2.830 1.569 1.00 0.00 C ATOM 1104 CG1 VAL A 72 -4.187 4.114 1.128 1.00 0.00 C ATOM 1105 CG2 VAL A 72 -4.376 1.624 0.782 1.00 0.00 C ATOM 0 H VAL A 72 -6.736 2.017 3.274 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.763 2.140 3.222 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.954 2.941 1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.313 4.247 0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.621 4.965 1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.125 4.046 1.363 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.498 1.807 -0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.321 1.468 1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.942 0.736 1.065 1.00 0.00 H new ATOM 1115 N TYR A 73 -3.540 4.371 4.203 1.00 0.00 N ATOM 1116 CA TYR A 73 -3.391 5.601 4.963 1.00 0.00 C ATOM 1117 C TYR A 73 -2.456 6.578 4.246 1.00 0.00 C ATOM 1118 O TYR A 73 -1.394 6.187 3.765 1.00 0.00 O ATOM 1119 CB TYR A 73 -2.762 5.198 6.298 1.00 0.00 C ATOM 1120 CG TYR A 73 -3.761 5.101 7.452 1.00 0.00 C ATOM 1121 CD1 TYR A 73 -4.749 6.055 7.592 1.00 0.00 C ATOM 1122 CD2 TYR A 73 -3.674 4.060 8.354 1.00 0.00 C ATOM 1123 CE1 TYR A 73 -5.689 5.963 8.678 1.00 0.00 C ATOM 1124 CE2 TYR A 73 -4.615 3.968 9.441 1.00 0.00 C ATOM 1125 CZ TYR A 73 -5.576 4.925 9.549 1.00 0.00 C ATOM 1126 OH TYR A 73 -6.464 4.838 10.576 1.00 0.00 O ATOM 0 H TYR A 73 -2.663 3.913 3.957 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.355 6.095 5.087 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -2.266 4.235 6.178 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.991 5.923 6.558 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.817 6.870 6.887 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.900 3.314 8.245 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.467 6.702 8.798 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.559 3.158 10.153 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.371 4.741 10.217 1.00 0.00 H new ATOM 1136 N ALA A 74 -2.886 7.830 4.198 1.00 0.00 N ATOM 1137 CA ALA A 74 -2.101 8.866 3.549 1.00 0.00 C ATOM 1138 C ALA A 74 -2.427 10.220 4.182 1.00 0.00 C ATOM 1139 O ALA A 74 -3.591 10.526 4.436 1.00 0.00 O ATOM 1140 CB ALA A 74 -2.374 8.846 2.043 1.00 0.00 C ATOM 0 H ALA A 74 -3.768 8.150 4.598 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.036 8.684 3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.785 9.623 1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.098 7.873 1.636 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.434 9.027 1.863 1.00 0.00 H new ATOM 1146 N GLU A 75 -1.379 10.995 4.420 1.00 0.00 N ATOM 1147 CA GLU A 75 -1.539 12.308 5.019 1.00 0.00 C ATOM 1148 C GLU A 75 -0.530 13.291 4.422 1.00 0.00 C ATOM 1149 O GLU A 75 0.666 13.008 4.377 1.00 0.00 O ATOM 1150 CB GLU A 75 -1.400 12.238 6.541 1.00 0.00 C ATOM 1151 CG GLU A 75 -0.162 11.433 6.942 1.00 0.00 C ATOM 1152 CD GLU A 75 -0.491 10.440 8.058 1.00 0.00 C ATOM 1153 OE1 GLU A 75 -0.940 9.326 7.713 1.00 0.00 O ATOM 1154 OE2 GLU A 75 -0.287 10.818 9.232 1.00 0.00 O ATOM 0 H GLU A 75 -0.415 10.738 4.208 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.543 12.667 4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.331 13.246 6.950 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.291 11.780 6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.224 10.896 6.075 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.625 12.110 7.274 1.00 0.00 H new ATOM 1161 N ALA A 76 -1.049 14.426 3.978 1.00 0.00 N ATOM 1162 CA ALA A 76 -0.208 15.452 3.385 1.00 0.00 C ATOM 1163 C ALA A 76 -0.421 16.773 4.129 1.00 0.00 C ATOM 1164 O ALA A 76 -1.224 16.843 5.058 1.00 0.00 O ATOM 1165 CB ALA A 76 -0.520 15.568 1.891 1.00 0.00 C ATOM 0 H ALA A 76 -2.042 14.658 4.017 1.00 0.00 H new ATOM 0 HA ALA A 76 0.845 15.186 3.479 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.111 16.338 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.325 14.613 1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.568 15.836 1.758 1.00 0.00 H new ATOM 1171 N ASN A 77 0.312 17.786 3.692 1.00 0.00 N ATOM 1172 CA ASN A 77 0.214 19.100 4.305 1.00 0.00 C ATOM 1173 C ASN A 77 -0.932 19.877 3.654 1.00 0.00 C ATOM 1174 O ASN A 77 -1.499 20.782 4.265 1.00 0.00 O ATOM 1175 CB ASN A 77 1.502 19.900 4.103 1.00 0.00 C ATOM 1176 CG ASN A 77 1.328 21.346 4.569 1.00 0.00 C ATOM 1177 OD1 ASN A 77 0.516 22.098 4.055 1.00 0.00 O ATOM 1178 ND2 ASN A 77 2.133 21.693 5.569 1.00 0.00 N ATOM 0 H ASN A 77 0.976 17.724 2.921 1.00 0.00 H new ATOM 0 HA ASN A 77 0.039 18.962 5.372 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.316 19.431 4.656 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.782 19.885 3.050 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.093 22.638 5.951 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.790 21.014 5.954 1.00 0.00 H new ATOM 1185 N SER A 78 -1.240 19.495 2.423 1.00 0.00 N ATOM 1186 CA SER A 78 -2.308 20.145 1.683 1.00 0.00 C ATOM 1187 C SER A 78 -3.470 19.171 1.477 1.00 0.00 C ATOM 1188 O SER A 78 -3.254 17.990 1.209 1.00 0.00 O ATOM 1189 CB SER A 78 -1.806 20.664 0.334 1.00 0.00 C ATOM 1190 OG SER A 78 -0.464 21.137 0.409 1.00 0.00 O ATOM 0 H SER A 78 -0.768 18.744 1.920 1.00 0.00 H new ATOM 0 HA SER A 78 -2.656 20.999 2.264 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.868 19.867 -0.407 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.455 21.469 -0.009 1.00 0.00 H new ATOM 0 HG SER A 78 -0.181 21.458 -0.473 1.00 0.00 H new ATOM 1196 N GLN A 79 -4.676 19.702 1.611 1.00 0.00 N ATOM 1197 CA GLN A 79 -5.872 18.895 1.444 1.00 0.00 C ATOM 1198 C GLN A 79 -5.862 18.207 0.077 1.00 0.00 C ATOM 1199 O GLN A 79 -6.384 17.103 -0.070 1.00 0.00 O ATOM 1200 CB GLN A 79 -7.134 19.741 1.622 1.00 0.00 C ATOM 1201 CG GLN A 79 -7.190 20.867 0.588 1.00 0.00 C ATOM 1202 CD GLN A 79 -7.635 22.182 1.233 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -6.935 22.777 2.037 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -8.834 22.600 0.838 1.00 0.00 N ATOM 0 H GLN A 79 -4.851 20.682 1.833 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.878 18.126 2.216 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.017 19.109 1.525 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.154 20.164 2.627 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.209 20.996 0.131 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.881 20.598 -0.211 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.367 22.054 0.162 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.220 23.467 1.211 1.00 0.00 H new ATOM 1213 N GLU A 80 -5.261 18.888 -0.888 1.00 0.00 N ATOM 1214 CA GLU A 80 -5.176 18.357 -2.237 1.00 0.00 C ATOM 1215 C GLU A 80 -4.248 17.141 -2.271 1.00 0.00 C ATOM 1216 O GLU A 80 -4.631 16.077 -2.755 1.00 0.00 O ATOM 1217 CB GLU A 80 -4.707 19.431 -3.221 1.00 0.00 C ATOM 1218 CG GLU A 80 -5.824 19.804 -4.198 1.00 0.00 C ATOM 1219 CD GLU A 80 -5.939 18.769 -5.320 1.00 0.00 C ATOM 1220 OE1 GLU A 80 -6.011 17.569 -4.980 1.00 0.00 O ATOM 1221 OE2 GLU A 80 -5.952 19.203 -6.492 1.00 0.00 O ATOM 0 H GLU A 80 -4.828 19.803 -0.762 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.172 18.039 -2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.387 20.317 -2.673 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.841 19.069 -3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.771 19.873 -3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.626 20.787 -4.624 1.00 0.00 H new ATOM 1228 N SER A 81 -3.046 17.339 -1.750 1.00 0.00 N ATOM 1229 CA SER A 81 -2.060 16.272 -1.715 1.00 0.00 C ATOM 1230 C SER A 81 -2.582 15.105 -0.874 1.00 0.00 C ATOM 1231 O SER A 81 -2.382 13.943 -1.225 1.00 0.00 O ATOM 1232 CB SER A 81 -0.726 16.772 -1.158 1.00 0.00 C ATOM 1233 OG SER A 81 -0.903 17.821 -0.210 1.00 0.00 O ATOM 0 H SER A 81 -2.732 18.223 -1.349 1.00 0.00 H new ATOM 0 HA SER A 81 -1.891 15.930 -2.736 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.196 15.944 -0.687 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.101 17.126 -1.978 1.00 0.00 H new ATOM 0 HG SER A 81 -1.745 17.687 0.273 1.00 0.00 H new ATOM 1239 N ALA A 82 -3.242 15.455 0.221 1.00 0.00 N ATOM 1240 CA ALA A 82 -3.794 14.452 1.115 1.00 0.00 C ATOM 1241 C ALA A 82 -4.615 13.448 0.303 1.00 0.00 C ATOM 1242 O ALA A 82 -4.477 12.239 0.481 1.00 0.00 O ATOM 1243 CB ALA A 82 -4.622 15.137 2.203 1.00 0.00 C ATOM 0 H ALA A 82 -3.407 16.420 0.509 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.996 13.901 1.612 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.036 14.384 2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.986 15.817 2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.435 15.699 1.742 1.00 0.00 H new ATOM 1249 N ASP A 83 -5.452 13.987 -0.572 1.00 0.00 N ATOM 1250 CA ASP A 83 -6.295 13.154 -1.412 1.00 0.00 C ATOM 1251 C ASP A 83 -5.464 12.599 -2.571 1.00 0.00 C ATOM 1252 O ASP A 83 -5.495 11.400 -2.844 1.00 0.00 O ATOM 1253 CB ASP A 83 -7.452 13.961 -2.004 1.00 0.00 C ATOM 1254 CG ASP A 83 -8.785 13.214 -2.088 1.00 0.00 C ATOM 1255 OD1 ASP A 83 -8.761 11.984 -1.866 1.00 0.00 O ATOM 1256 OD2 ASP A 83 -9.798 13.890 -2.371 1.00 0.00 O ATOM 0 H ASP A 83 -5.564 14.990 -0.717 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.695 12.349 -0.795 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.593 14.859 -1.403 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.172 14.288 -3.005 1.00 0.00 H new ATOM 1261 N ARG A 84 -4.741 13.499 -3.222 1.00 0.00 N ATOM 1262 CA ARG A 84 -3.904 13.115 -4.346 1.00 0.00 C ATOM 1263 C ARG A 84 -3.074 11.879 -3.991 1.00 0.00 C ATOM 1264 O ARG A 84 -3.126 10.870 -4.693 1.00 0.00 O ATOM 1265 CB ARG A 84 -2.964 14.254 -4.747 1.00 0.00 C ATOM 1266 CG ARG A 84 -3.114 14.591 -6.232 1.00 0.00 C ATOM 1267 CD ARG A 84 -2.772 13.383 -7.106 1.00 0.00 C ATOM 1268 NE ARG A 84 -3.329 13.567 -8.464 1.00 0.00 N ATOM 1269 CZ ARG A 84 -2.783 14.357 -9.399 1.00 0.00 C ATOM 1270 NH1 ARG A 84 -1.663 15.041 -9.128 1.00 0.00 N ATOM 1271 NH2 ARG A 84 -3.358 14.464 -10.605 1.00 0.00 N ATOM 0 H ARG A 84 -4.718 14.493 -2.992 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.560 12.888 -5.186 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.180 15.137 -4.146 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.933 13.970 -4.537 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.136 14.913 -6.434 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.461 15.425 -6.487 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.691 13.258 -7.161 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.175 12.474 -6.659 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.182 13.061 -8.704 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.226 14.960 -8.210 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.248 15.642 -9.840 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.211 13.944 -10.811 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.943 15.065 -11.317 1.00 0.00 H new ATOM 1285 N LEU A 85 -2.329 11.999 -2.903 1.00 0.00 N ATOM 1286 CA LEU A 85 -1.489 10.904 -2.446 1.00 0.00 C ATOM 1287 C LEU A 85 -2.366 9.689 -2.137 1.00 0.00 C ATOM 1288 O LEU A 85 -2.210 8.634 -2.750 1.00 0.00 O ATOM 1289 CB LEU A 85 -0.619 11.350 -1.269 1.00 0.00 C ATOM 1290 CG LEU A 85 0.451 10.357 -0.812 1.00 0.00 C ATOM 1291 CD1 LEU A 85 1.551 10.212 -1.865 1.00 0.00 C ATOM 1292 CD2 LEU A 85 1.014 10.749 0.555 1.00 0.00 C ATOM 0 H LEU A 85 -2.289 12.838 -2.324 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.794 10.605 -3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.127 12.284 -1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.271 11.566 -0.423 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.017 9.379 -0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.299 9.500 -1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.117 9.852 -2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.023 11.180 -2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.773 10.027 0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.461 11.741 0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.210 10.759 1.291 1.00 0.00 H new ATOM 1304 N ALA A 86 -3.270 9.878 -1.187 1.00 0.00 N ATOM 1305 CA ALA A 86 -4.172 8.811 -0.789 1.00 0.00 C ATOM 1306 C ALA A 86 -4.687 8.092 -2.038 1.00 0.00 C ATOM 1307 O ALA A 86 -4.613 6.867 -2.128 1.00 0.00 O ATOM 1308 CB ALA A 86 -5.306 9.390 0.059 1.00 0.00 C ATOM 0 H ALA A 86 -3.397 10.755 -0.681 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.650 8.076 -0.177 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.983 8.589 0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.890 9.864 0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.855 10.130 -0.524 1.00 0.00 H new ATOM 1314 N TYR A 87 -5.197 8.883 -2.970 1.00 0.00 N ATOM 1315 CA TYR A 87 -5.724 8.338 -4.209 1.00 0.00 C ATOM 1316 C TYR A 87 -4.680 7.469 -4.913 1.00 0.00 C ATOM 1317 O TYR A 87 -4.987 6.368 -5.368 1.00 0.00 O ATOM 1318 CB TYR A 87 -6.049 9.542 -5.095 1.00 0.00 C ATOM 1319 CG TYR A 87 -6.064 9.227 -6.592 1.00 0.00 C ATOM 1320 CD1 TYR A 87 -6.881 8.226 -7.079 1.00 0.00 C ATOM 1321 CD2 TYR A 87 -5.261 9.943 -7.456 1.00 0.00 C ATOM 1322 CE1 TYR A 87 -6.895 7.929 -8.488 1.00 0.00 C ATOM 1323 CE2 TYR A 87 -5.276 9.646 -8.865 1.00 0.00 C ATOM 1324 CZ TYR A 87 -6.092 8.654 -9.312 1.00 0.00 C ATOM 1325 OH TYR A 87 -6.106 8.374 -10.642 1.00 0.00 O ATOM 0 H TYR A 87 -5.256 9.898 -2.892 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.597 7.715 -4.014 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.023 9.939 -4.808 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.317 10.327 -4.907 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -7.510 7.666 -6.403 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -4.622 10.726 -7.076 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -7.529 7.148 -8.881 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -4.653 10.199 -9.552 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.484 8.971 -11.109 1.00 0.00 H new ATOM 1335 N GLU A 88 -3.466 7.997 -4.981 1.00 0.00 N ATOM 1336 CA GLU A 88 -2.375 7.283 -5.622 1.00 0.00 C ATOM 1337 C GLU A 88 -2.092 5.973 -4.885 1.00 0.00 C ATOM 1338 O GLU A 88 -2.256 4.891 -5.448 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.119 8.153 -5.696 1.00 0.00 C ATOM 1340 CG GLU A 88 -1.326 9.338 -6.642 1.00 0.00 C ATOM 1341 CD GLU A 88 -0.267 9.349 -7.746 1.00 0.00 C ATOM 1342 OE1 GLU A 88 0.144 8.240 -8.150 1.00 0.00 O ATOM 1343 OE2 GLU A 88 0.106 10.467 -8.162 1.00 0.00 O ATOM 0 H GLU A 88 -3.214 8.910 -4.603 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.673 7.045 -6.643 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.866 8.518 -4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.276 7.553 -6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.320 9.284 -7.087 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.279 10.270 -6.079 1.00 0.00 H new ATOM 1350 N VAL A 89 -1.672 6.112 -3.636 1.00 0.00 N ATOM 1351 CA VAL A 89 -1.365 4.953 -2.816 1.00 0.00 C ATOM 1352 C VAL A 89 -2.408 3.863 -3.070 1.00 0.00 C ATOM 1353 O VAL A 89 -2.073 2.775 -3.537 1.00 0.00 O ATOM 1354 CB VAL A 89 -1.274 5.362 -1.345 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -1.069 4.140 -0.447 1.00 0.00 C ATOM 1356 CG2 VAL A 89 -0.164 6.393 -1.130 1.00 0.00 C ATOM 0 H VAL A 89 -1.537 7.010 -3.172 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.392 4.541 -3.086 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.220 5.826 -1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.008 4.459 0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.908 3.455 -0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.145 3.634 -0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.121 6.667 -0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.792 5.967 -1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.372 7.281 -1.727 1.00 0.00 H new ATOM 1366 N SER A 90 -3.651 4.193 -2.753 1.00 0.00 N ATOM 1367 CA SER A 90 -4.745 3.255 -2.941 1.00 0.00 C ATOM 1368 C SER A 90 -4.592 2.534 -4.281 1.00 0.00 C ATOM 1369 O SER A 90 -4.715 1.312 -4.350 1.00 0.00 O ATOM 1370 CB SER A 90 -6.098 3.967 -2.873 1.00 0.00 C ATOM 1371 OG SER A 90 -6.045 5.269 -3.449 1.00 0.00 O ATOM 0 H SER A 90 -3.925 5.097 -2.367 1.00 0.00 H new ATOM 0 HA SER A 90 -4.709 2.522 -2.135 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.848 3.371 -3.393 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.416 4.043 -1.833 1.00 0.00 H new ATOM 0 HG SER A 90 -5.640 5.216 -4.340 1.00 0.00 H new ATOM 1377 N LEU A 91 -4.324 3.320 -5.313 1.00 0.00 N ATOM 1378 CA LEU A 91 -4.152 2.772 -6.648 1.00 0.00 C ATOM 1379 C LEU A 91 -2.879 1.924 -6.686 1.00 0.00 C ATOM 1380 O LEU A 91 -2.902 0.783 -7.143 1.00 0.00 O ATOM 1381 CB LEU A 91 -4.180 3.888 -7.694 1.00 0.00 C ATOM 1382 CG LEU A 91 -5.540 4.175 -8.333 1.00 0.00 C ATOM 1383 CD1 LEU A 91 -5.484 5.436 -9.198 1.00 0.00 C ATOM 1384 CD2 LEU A 91 -6.043 2.962 -9.119 1.00 0.00 C ATOM 0 H LEU A 91 -4.222 4.333 -5.252 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.983 2.112 -6.899 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.819 4.805 -7.228 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.475 3.634 -8.486 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.259 4.363 -7.536 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.463 5.617 -9.641 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.201 6.289 -8.580 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.747 5.301 -9.990 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.011 3.192 -9.563 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.331 2.719 -9.907 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.146 2.110 -8.447 1.00 0.00 H new ATOM 1396 N LEU A 92 -1.798 2.516 -6.200 1.00 0.00 N ATOM 1397 CA LEU A 92 -0.518 1.830 -6.172 1.00 0.00 C ATOM 1398 C LEU A 92 -0.716 0.409 -5.641 1.00 0.00 C ATOM 1399 O LEU A 92 -0.179 -0.547 -6.198 1.00 0.00 O ATOM 1400 CB LEU A 92 0.510 2.644 -5.383 1.00 0.00 C ATOM 1401 CG LEU A 92 0.606 4.129 -5.739 1.00 0.00 C ATOM 1402 CD1 LEU A 92 2.007 4.672 -5.451 1.00 0.00 C ATOM 1403 CD2 LEU A 92 0.182 4.374 -7.189 1.00 0.00 C ATOM 0 H LEU A 92 -1.782 3.463 -5.822 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.113 1.740 -7.180 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.274 2.560 -4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.491 2.192 -5.528 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.089 4.679 -5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.048 5.729 -5.713 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.233 4.551 -4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.739 4.123 -6.043 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.260 5.437 -7.416 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.833 3.812 -7.858 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.849 4.048 -7.327 1.00 0.00 H new ATOM 1415 N VAL A 93 -1.490 0.315 -4.569 1.00 0.00 N ATOM 1416 CA VAL A 93 -1.766 -0.973 -3.956 1.00 0.00 C ATOM 1417 C VAL A 93 -2.640 -1.804 -4.897 1.00 0.00 C ATOM 1418 O VAL A 93 -2.213 -2.850 -5.383 1.00 0.00 O ATOM 1419 CB VAL A 93 -2.398 -0.771 -2.577 1.00 0.00 C ATOM 1420 CG1 VAL A 93 -2.347 -2.061 -1.756 1.00 0.00 C ATOM 1421 CG2 VAL A 93 -1.725 0.382 -1.829 1.00 0.00 C ATOM 0 H VAL A 93 -1.934 1.110 -4.110 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.841 -1.527 -3.798 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.446 -0.509 -2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.803 -1.890 -0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.893 -2.847 -2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.309 -2.367 -1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.193 0.504 -0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.665 0.162 -1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.837 1.302 -2.403 1.00 0.00 H new ATOM 1431 N PHE A 94 -3.846 -1.307 -5.126 1.00 0.00 N ATOM 1432 CA PHE A 94 -4.784 -1.991 -6.001 1.00 0.00 C ATOM 1433 C PHE A 94 -4.063 -2.610 -7.200 1.00 0.00 C ATOM 1434 O PHE A 94 -4.363 -3.736 -7.596 1.00 0.00 O ATOM 1435 CB PHE A 94 -5.775 -0.940 -6.504 1.00 0.00 C ATOM 1436 CG PHE A 94 -6.545 -1.360 -7.758 1.00 0.00 C ATOM 1437 CD1 PHE A 94 -5.924 -1.366 -8.968 1.00 0.00 C ATOM 1438 CD2 PHE A 94 -7.851 -1.728 -7.662 1.00 0.00 C ATOM 1439 CE1 PHE A 94 -6.638 -1.756 -10.131 1.00 0.00 C ATOM 1440 CE2 PHE A 94 -8.565 -2.118 -8.825 1.00 0.00 C ATOM 1441 CZ PHE A 94 -7.944 -2.124 -10.035 1.00 0.00 C ATOM 0 H PHE A 94 -4.196 -0.439 -4.721 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.283 -2.793 -5.457 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -6.488 -0.718 -5.710 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.234 -0.017 -6.714 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.887 -1.074 -9.044 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -8.344 -1.723 -6.701 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -6.145 -1.761 -11.092 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -9.602 -2.410 -8.749 1.00 0.00 H new ATOM 0 HZ PHE A 94 -8.488 -2.421 -10.920 1.00 0.00 H new ATOM 1451 N GLN A 95 -3.125 -1.848 -7.745 1.00 0.00 N ATOM 1452 CA GLN A 95 -2.359 -2.308 -8.890 1.00 0.00 C ATOM 1453 C GLN A 95 -1.241 -3.249 -8.438 1.00 0.00 C ATOM 1454 O GLN A 95 -1.148 -4.381 -8.910 1.00 0.00 O ATOM 1455 CB GLN A 95 -1.795 -1.127 -9.683 1.00 0.00 C ATOM 1456 CG GLN A 95 -2.812 -0.619 -10.707 1.00 0.00 C ATOM 1457 CD GLN A 95 -2.164 -0.446 -12.083 1.00 0.00 C ATOM 1458 OE1 GLN A 95 -1.376 0.455 -12.318 1.00 0.00 O ATOM 1459 NE2 GLN A 95 -2.539 -1.358 -12.976 1.00 0.00 N ATOM 0 H GLN A 95 -2.879 -0.915 -7.414 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.027 -2.861 -9.551 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.527 -0.321 -9.000 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.880 -1.430 -10.193 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -3.643 -1.320 -10.778 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -3.225 0.333 -10.373 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.203 -2.086 -12.713 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.162 -1.329 -13.923 1.00 0.00 H new ATOM 1468 N LEU A 96 -0.419 -2.745 -7.529 1.00 0.00 N ATOM 1469 CA LEU A 96 0.690 -3.527 -7.007 1.00 0.00 C ATOM 1470 C LEU A 96 0.164 -4.865 -6.485 1.00 0.00 C ATOM 1471 O LEU A 96 0.452 -5.915 -7.058 1.00 0.00 O ATOM 1472 CB LEU A 96 1.468 -2.722 -5.964 1.00 0.00 C ATOM 1473 CG LEU A 96 2.791 -3.333 -5.497 1.00 0.00 C ATOM 1474 CD1 LEU A 96 2.877 -4.812 -5.878 1.00 0.00 C ATOM 1475 CD2 LEU A 96 3.982 -2.533 -6.029 1.00 0.00 C ATOM 0 H LEU A 96 -0.498 -1.805 -7.141 1.00 0.00 H new ATOM 0 HA LEU A 96 1.404 -3.753 -7.799 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.672 -1.733 -6.375 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.829 -2.579 -5.093 1.00 0.00 H new ATOM 0 HG LEU A 96 2.827 -3.279 -4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.827 -5.222 -5.534 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.057 -5.356 -5.410 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.809 -4.913 -6.961 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.910 -2.988 -5.683 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.963 -2.533 -7.119 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.923 -1.507 -5.665 1.00 0.00 H new ATOM 1487 N ALA A 97 -0.599 -4.784 -5.405 1.00 0.00 N ATOM 1488 CA ALA A 97 -1.167 -5.976 -4.799 1.00 0.00 C ATOM 1489 C ALA A 97 -2.020 -6.712 -5.835 1.00 0.00 C ATOM 1490 O ALA A 97 -1.678 -7.816 -6.255 1.00 0.00 O ATOM 1491 CB ALA A 97 -1.969 -5.585 -3.556 1.00 0.00 C ATOM 0 H ALA A 97 -0.837 -3.911 -4.934 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.378 -6.656 -4.477 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.395 -6.480 -3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.312 -5.092 -2.840 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.772 -4.905 -3.840 1.00 0.00 H new ATOM 1497 N GLY A 98 -3.114 -6.070 -6.217 1.00 0.00 N ATOM 1498 CA GLY A 98 -4.019 -6.649 -7.196 1.00 0.00 C ATOM 1499 C GLY A 98 -5.460 -6.642 -6.682 1.00 0.00 C ATOM 1500 O GLY A 98 -6.099 -7.690 -6.599 1.00 0.00 O ATOM 0 H GLY A 98 -3.395 -5.154 -5.866 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.959 -6.088 -8.129 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.714 -7.671 -7.419 1.00 0.00 H new ATOM 1504 N GLY A 99 -5.930 -5.448 -6.350 1.00 0.00 N ATOM 1505 CA GLY A 99 -7.284 -5.291 -5.847 1.00 0.00 C ATOM 1506 C GLY A 99 -8.282 -6.071 -6.705 1.00 0.00 C ATOM 1507 O GLY A 99 -7.964 -6.473 -7.823 1.00 0.00 O ATOM 0 H GLY A 99 -5.397 -4.581 -6.420 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.335 -5.640 -4.816 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.553 -4.235 -5.840 1.00 0.00 H new ATOM 1511 N ILE A 100 -9.470 -6.260 -6.150 1.00 0.00 N ATOM 1512 CA ILE A 100 -10.517 -6.985 -6.850 1.00 0.00 C ATOM 1513 C ILE A 100 -11.860 -6.293 -6.608 1.00 0.00 C ATOM 1514 O ILE A 100 -12.056 -5.656 -5.574 1.00 0.00 O ATOM 1515 CB ILE A 100 -10.506 -8.462 -6.452 1.00 0.00 C ATOM 1516 CG1 ILE A 100 -10.846 -8.633 -4.970 1.00 0.00 C ATOM 1517 CG2 ILE A 100 -9.171 -9.117 -6.813 1.00 0.00 C ATOM 1518 CD1 ILE A 100 -11.842 -9.775 -4.764 1.00 0.00 C ATOM 0 H ILE A 100 -9.731 -5.924 -5.223 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.338 -6.968 -7.925 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.281 -8.975 -7.021 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.936 -8.834 -4.405 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -11.265 -7.705 -4.580 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.190 -10.167 -6.519 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -9.009 -9.044 -7.888 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.362 -8.608 -6.289 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -12.066 -9.875 -3.702 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -12.760 -9.560 -5.310 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -11.410 -10.705 -5.133 1.00 0.00 H new ATOM 1530 N GLY A 101 -12.750 -6.441 -7.578 1.00 0.00 N ATOM 1531 CA GLY A 101 -14.068 -5.838 -7.483 1.00 0.00 C ATOM 1532 C GLY A 101 -13.968 -4.349 -7.145 1.00 0.00 C ATOM 1533 O GLY A 101 -13.199 -3.619 -7.768 1.00 0.00 O ATOM 0 H GLY A 101 -12.584 -6.970 -8.434 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -14.599 -5.965 -8.427 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -14.651 -6.350 -6.718 1.00 0.00 H new ATOM 1537 N GLU A 102 -14.755 -3.944 -6.160 1.00 0.00 N ATOM 1538 CA GLU A 102 -14.765 -2.556 -5.732 1.00 0.00 C ATOM 1539 C GLU A 102 -13.338 -2.005 -5.687 1.00 0.00 C ATOM 1540 O GLU A 102 -12.441 -2.640 -5.135 1.00 0.00 O ATOM 1541 CB GLU A 102 -15.454 -2.405 -4.374 1.00 0.00 C ATOM 1542 CG GLU A 102 -16.718 -1.551 -4.493 1.00 0.00 C ATOM 1543 CD GLU A 102 -17.257 -1.175 -3.111 1.00 0.00 C ATOM 1544 OE1 GLU A 102 -17.409 -2.104 -2.289 1.00 0.00 O ATOM 1545 OE2 GLU A 102 -17.504 0.034 -2.908 1.00 0.00 O ATOM 0 H GLU A 102 -15.391 -4.553 -5.645 1.00 0.00 H new ATOM 0 HA GLU A 102 -15.336 -1.976 -6.458 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -15.711 -3.389 -3.981 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.767 -1.947 -3.662 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.498 -0.646 -5.060 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -17.480 -2.098 -5.048 1.00 0.00 H new ATOM 1552 N ARG A 103 -13.173 -0.829 -6.275 1.00 0.00 N ATOM 1553 CA ARG A 103 -11.871 -0.186 -6.309 1.00 0.00 C ATOM 1554 C ARG A 103 -12.031 1.333 -6.401 1.00 0.00 C ATOM 1555 O ARG A 103 -13.089 1.827 -6.790 1.00 0.00 O ATOM 1556 CB ARG A 103 -11.044 -0.677 -7.498 1.00 0.00 C ATOM 1557 CG ARG A 103 -11.392 0.102 -8.768 1.00 0.00 C ATOM 1558 CD ARG A 103 -12.875 -0.051 -9.116 1.00 0.00 C ATOM 1559 NE ARG A 103 -13.042 -0.156 -10.582 1.00 0.00 N ATOM 1560 CZ ARG A 103 -14.166 -0.571 -11.182 1.00 0.00 C ATOM 1561 NH1 ARG A 103 -15.228 -0.923 -10.445 1.00 0.00 N ATOM 1562 NH2 ARG A 103 -14.228 -0.635 -12.519 1.00 0.00 N ATOM 0 H ARG A 103 -13.920 -0.305 -6.732 1.00 0.00 H new ATOM 0 HA ARG A 103 -11.350 -0.445 -5.387 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -9.982 -0.565 -7.278 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -11.226 -1.740 -7.658 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.154 1.157 -8.629 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -10.781 -0.256 -9.597 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -13.281 -0.939 -8.631 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -13.436 0.804 -8.738 1.00 0.00 H new ATOM 0 HE ARG A 103 -12.252 0.104 -11.173 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -15.181 -0.875 -9.427 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -16.084 -1.239 -10.902 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -13.419 -0.368 -13.080 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -15.084 -0.951 -12.975 1.00 0.00 H new ATOM 1576 N PRO A 104 -10.938 2.051 -6.028 1.00 0.00 N ATOM 1577 CA PRO A 104 -10.948 3.503 -6.065 1.00 0.00 C ATOM 1578 C PRO A 104 -10.836 4.016 -7.502 1.00 0.00 C ATOM 1579 O PRO A 104 -10.034 3.509 -8.285 1.00 0.00 O ATOM 1580 CB PRO A 104 -9.779 3.927 -5.191 1.00 0.00 C ATOM 1581 CG PRO A 104 -8.881 2.705 -5.074 1.00 0.00 C ATOM 1582 CD PRO A 104 -9.668 1.500 -5.562 1.00 0.00 C ATOM 0 HA PRO A 104 -11.881 3.926 -5.693 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.242 4.765 -5.636 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.123 4.254 -4.210 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.977 2.837 -5.669 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.564 2.561 -4.041 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.143 0.982 -6.365 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -9.820 0.776 -4.762 1.00 0.00 H new ATOM 1590 N GLN A 105 -11.653 5.014 -7.806 1.00 0.00 N ATOM 1591 CA GLN A 105 -11.656 5.601 -9.135 1.00 0.00 C ATOM 1592 C GLN A 105 -11.590 7.126 -9.042 1.00 0.00 C ATOM 1593 O GLN A 105 -12.044 7.712 -8.060 1.00 0.00 O ATOM 1594 CB GLN A 105 -12.884 5.152 -9.929 1.00 0.00 C ATOM 1595 CG GLN A 105 -12.724 3.712 -10.420 1.00 0.00 C ATOM 1596 CD GLN A 105 -13.450 3.502 -11.750 1.00 0.00 C ATOM 1597 OE1 GLN A 105 -14.313 4.269 -12.144 1.00 0.00 O ATOM 1598 NE2 GLN A 105 -13.054 2.422 -12.418 1.00 0.00 N ATOM 0 H GLN A 105 -12.318 5.431 -7.154 1.00 0.00 H new ATOM 0 HA GLN A 105 -10.772 5.251 -9.668 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -13.774 5.230 -9.304 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -13.033 5.816 -10.781 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -11.666 3.480 -10.539 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -13.119 3.023 -9.673 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -12.326 1.822 -12.031 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -13.478 2.194 -13.317 1.00 0.00 H new ATOM 1607 N PRO A 106 -11.006 7.742 -10.105 1.00 0.00 N ATOM 1608 CA PRO A 106 -10.875 9.189 -10.152 1.00 0.00 C ATOM 1609 C PRO A 106 -12.219 9.851 -10.462 1.00 0.00 C ATOM 1610 O PRO A 106 -13.046 9.282 -11.173 1.00 0.00 O ATOM 1611 CB PRO A 106 -9.822 9.453 -11.216 1.00 0.00 C ATOM 1612 CG PRO A 106 -9.741 8.183 -12.047 1.00 0.00 C ATOM 1613 CD PRO A 106 -10.457 7.081 -11.285 1.00 0.00 C ATOM 0 HA PRO A 106 -10.572 9.616 -9.196 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -10.097 10.307 -11.834 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -8.858 9.685 -10.763 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.203 8.335 -13.022 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -8.701 7.910 -12.226 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -11.245 6.630 -11.888 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -9.770 6.281 -11.007 1.00 0.00 H new ATOM 1621 N SER A 107 -12.395 11.044 -9.914 1.00 0.00 N ATOM 1622 CA SER A 107 -13.624 11.790 -10.123 1.00 0.00 C ATOM 1623 C SER A 107 -13.642 12.384 -11.533 1.00 0.00 C ATOM 1624 O SER A 107 -12.687 13.040 -11.947 1.00 0.00 O ATOM 1625 CB SER A 107 -13.781 12.897 -9.079 1.00 0.00 C ATOM 1626 OG SER A 107 -13.063 14.075 -9.438 1.00 0.00 O ATOM 0 H SER A 107 -11.707 11.513 -9.325 1.00 0.00 H new ATOM 0 HA SER A 107 -14.463 11.103 -10.014 1.00 0.00 H new ATOM 0 HB2 SER A 107 -14.838 13.138 -8.962 1.00 0.00 H new ATOM 0 HB3 SER A 107 -13.427 12.537 -8.113 1.00 0.00 H new ATOM 0 HG SER A 107 -13.190 14.759 -8.747 1.00 0.00 H new ATOM 1632 N GLY A 108 -14.738 12.132 -12.233 1.00 0.00 N ATOM 1633 CA GLY A 108 -14.894 12.633 -13.588 1.00 0.00 C ATOM 1634 C GLY A 108 -14.898 14.163 -13.609 1.00 0.00 C ATOM 1635 O GLY A 108 -15.744 14.793 -12.976 1.00 0.00 O ATOM 0 H GLY A 108 -15.528 11.587 -11.887 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -14.083 12.259 -14.213 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -15.824 12.257 -14.014 1.00 0.00 H new ATOM 1639 N PRO A 109 -13.919 14.730 -14.364 1.00 0.00 N ATOM 1640 CA PRO A 109 -13.803 16.174 -14.476 1.00 0.00 C ATOM 1641 C PRO A 109 -14.887 16.742 -15.394 1.00 0.00 C ATOM 1642 O PRO A 109 -15.571 15.993 -16.091 1.00 0.00 O ATOM 1643 CB PRO A 109 -12.396 16.416 -14.998 1.00 0.00 C ATOM 1644 CG PRO A 109 -11.941 15.095 -15.597 1.00 0.00 C ATOM 1645 CD PRO A 109 -12.901 14.015 -15.127 1.00 0.00 C ATOM 0 HA PRO A 109 -13.954 16.683 -13.524 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -12.388 17.208 -15.747 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -11.730 16.731 -14.195 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -11.934 15.152 -16.685 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -10.923 14.864 -15.283 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -13.340 13.481 -15.970 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -12.392 13.274 -14.511 1.00 0.00 H new ATOM 1653 N SER A 110 -15.011 18.061 -15.366 1.00 0.00 N ATOM 1654 CA SER A 110 -16.001 18.737 -16.187 1.00 0.00 C ATOM 1655 C SER A 110 -15.777 20.250 -16.136 1.00 0.00 C ATOM 1656 O SER A 110 -15.411 20.792 -15.094 1.00 0.00 O ATOM 1657 CB SER A 110 -17.421 18.395 -15.732 1.00 0.00 C ATOM 1658 OG SER A 110 -18.206 17.856 -16.792 1.00 0.00 O ATOM 0 H SER A 110 -14.442 18.679 -14.788 1.00 0.00 H new ATOM 0 HA SER A 110 -15.886 18.393 -17.215 1.00 0.00 H new ATOM 0 HB2 SER A 110 -17.376 17.677 -14.913 1.00 0.00 H new ATOM 0 HB3 SER A 110 -17.903 19.292 -15.344 1.00 0.00 H new ATOM 0 HG SER A 110 -19.105 17.649 -16.461 1.00 0.00 H new ATOM 1664 N SER A 111 -16.007 20.889 -17.274 1.00 0.00 N ATOM 1665 CA SER A 111 -15.835 22.328 -17.371 1.00 0.00 C ATOM 1666 C SER A 111 -14.378 22.701 -17.094 1.00 0.00 C ATOM 1667 O SER A 111 -13.640 21.927 -16.486 1.00 0.00 O ATOM 1668 CB SER A 111 -16.765 23.061 -16.402 1.00 0.00 C ATOM 1669 OG SER A 111 -17.440 24.148 -17.029 1.00 0.00 O ATOM 0 H SER A 111 -16.311 20.436 -18.136 1.00 0.00 H new ATOM 0 HA SER A 111 -16.095 22.636 -18.384 1.00 0.00 H new ATOM 0 HB2 SER A 111 -17.499 22.360 -16.004 1.00 0.00 H new ATOM 0 HB3 SER A 111 -16.187 23.433 -15.556 1.00 0.00 H new ATOM 0 HG SER A 111 -18.025 24.589 -16.378 1.00 0.00 H new ATOM 1675 N GLY A 112 -14.006 23.888 -17.552 1.00 0.00 N ATOM 1676 CA GLY A 112 -12.650 24.373 -17.361 1.00 0.00 C ATOM 1677 C GLY A 112 -12.116 23.978 -15.982 1.00 0.00 C ATOM 1678 O GLY A 112 -11.205 24.618 -15.459 1.00 0.00 O ATOM 0 H GLY A 112 -14.621 24.528 -18.055 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -12.001 23.966 -18.137 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -12.630 25.458 -17.466 1.00 0.00 H new TER 1682 GLY A 112