USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 828 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 106 SER OG : rot -73:sc= 1.3 USER MOD Set 1.2: A 118 ASN : amide:sc= 0.727 K(o=2,f=0.33) USER MOD Set 2.1: A 84 THR OG1 : rot -51:sc= 1.75 USER MOD Set 2.2: A 108 ASN : amide:sc= 1.17 K(o=2.9,f=-0.64) USER MOD Single : A 5 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0106 K(o=-0.011,f=-1.1) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -167:sc= 0.461 USER MOD Single : A 52 LYS NZ :NH3+ 152:sc= 1.3 (180deg=1.19) USER MOD Single : A 56 ASN : amide:sc= -1.65 K(o=-1.7,f=-8.5!) USER MOD Single : A 65 GLN : amide:sc= -0.634 K(o=-0.63,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -7:sc= 1.17 USER MOD Single : A 69 THR OG1 : rot 102:sc= 0.865 USER MOD Single : A 73 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.00064) USER MOD Single : A 76 SER OG : rot -44:sc= 1.22 USER MOD Single : A 86 SER OG : rot -140:sc= -0.355 USER MOD Single : A 89 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-7!) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot 130:sc= 0.405 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.21 X(o=0.21,f=0) USER MOD Single : A 120 GLN : amide:sc= -2.04 K(o=-2,f=-2.6) USER MOD Single : A 122 MET CE :methyl 173:sc= -0.735 (180deg=-0.804) USER MOD Single : A 123 GLN : amide:sc= -1.93! K(o=-1.9!,f=-0.68) USER MOD Single : A 124 THR OG1 : rot 40:sc= 0.131 USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 LYS NZ :NH3+ 162:sc= -0.186 (180deg=-0.495) USER MOD ----------------------------------------------------------------- ATOM 57 N ASN A 5 23.730 54.171 53.810 1.00 42.34 N ATOM 58 CA ASN A 5 22.646 53.524 54.514 1.00 74.34 C ATOM 59 C ASN A 5 22.900 52.048 54.612 1.00 70.45 C ATOM 60 O ASN A 5 22.916 51.336 53.600 1.00 23.32 O ATOM 61 CB ASN A 5 21.280 53.782 53.844 1.00 40.33 C ATOM 62 CG ASN A 5 20.836 55.232 53.914 1.00 10.53 C ATOM 63 OD1 ASN A 5 21.175 55.964 54.851 1.00 72.23 O ATOM 64 ND2 ASN A 5 20.066 55.656 52.956 1.00 35.13 N ATOM 0 HA ASN A 5 22.606 53.955 55.514 1.00 74.34 H new ATOM 0 HB2 ASN A 5 21.333 53.477 52.799 1.00 40.33 H new ATOM 0 HB3 ASN A 5 20.526 53.156 54.321 1.00 40.33 H new ATOM 0 HD21 ASN A 5 19.724 56.617 52.964 1.00 35.13 H new ATOM 0 HD22 ASN A 5 19.804 55.028 52.196 1.00 35.13 H new ATOM 71 N GLY A 6 23.108 51.594 55.809 1.00 52.30 N ATOM 72 CA GLY A 6 23.371 50.212 56.038 1.00 63.14 C ATOM 73 C GLY A 6 22.337 49.608 56.938 1.00 64.25 C ATOM 74 O GLY A 6 22.375 49.806 58.154 1.00 34.22 O ATOM 0 H GLY A 6 23.100 52.171 56.650 1.00 52.30 H new ATOM 0 HA2 GLY A 6 23.386 49.679 55.087 1.00 63.14 H new ATOM 0 HA3 GLY A 6 24.359 50.096 56.484 1.00 63.14 H new ATOM 78 N THR A 7 21.404 48.902 56.357 1.00 63.11 N ATOM 79 CA THR A 7 20.359 48.273 57.115 1.00 23.32 C ATOM 80 C THR A 7 20.921 46.983 57.750 1.00 55.43 C ATOM 81 O THR A 7 21.479 46.144 57.036 1.00 73.14 O ATOM 82 CB THR A 7 19.176 47.922 56.175 1.00 2.21 C ATOM 83 OG1 THR A 7 18.798 49.100 55.418 1.00 63.44 O ATOM 84 CG2 THR A 7 17.972 47.444 56.973 1.00 35.42 C ATOM 0 H THR A 7 21.348 48.748 55.350 1.00 63.11 H new ATOM 0 HA THR A 7 20.004 48.946 57.895 1.00 23.32 H new ATOM 0 HB THR A 7 19.495 47.124 55.504 1.00 2.21 H new ATOM 0 HG1 THR A 7 18.052 48.880 54.822 1.00 63.44 H new ATOM 0 HG21 THR A 7 17.156 47.204 56.292 1.00 35.42 H new ATOM 0 HG22 THR A 7 18.243 46.555 57.542 1.00 35.42 H new ATOM 0 HG23 THR A 7 17.654 48.230 57.658 1.00 35.42 H new ATOM 92 N PRO A 8 20.834 46.836 59.091 1.00 13.21 N ATOM 93 CA PRO A 8 21.306 45.633 59.780 1.00 74.20 C ATOM 94 C PRO A 8 20.566 44.385 59.303 1.00 23.11 C ATOM 95 O PRO A 8 19.315 44.344 59.285 1.00 52.51 O ATOM 96 CB PRO A 8 20.986 45.915 61.255 1.00 53.14 C ATOM 97 CG PRO A 8 20.931 47.397 61.340 1.00 43.33 C ATOM 98 CD PRO A 8 20.323 47.842 60.045 1.00 34.50 C ATOM 0 HA PRO A 8 22.362 45.437 59.595 1.00 74.20 H new ATOM 0 HB2 PRO A 8 20.039 45.464 61.550 1.00 53.14 H new ATOM 0 HB3 PRO A 8 21.752 45.507 61.914 1.00 53.14 H new ATOM 0 HG2 PRO A 8 20.329 47.721 62.189 1.00 43.33 H new ATOM 0 HG3 PRO A 8 21.926 47.821 61.474 1.00 43.33 H new ATOM 0 HD2 PRO A 8 19.234 47.845 60.088 1.00 34.50 H new ATOM 0 HD3 PRO A 8 20.634 48.851 59.776 1.00 34.50 H new ATOM 106 N GLU A 9 21.313 43.392 58.924 1.00 51.04 N ATOM 107 CA GLU A 9 20.754 42.168 58.425 1.00 35.44 C ATOM 108 C GLU A 9 20.772 41.099 59.513 1.00 52.52 C ATOM 109 O GLU A 9 21.786 40.930 60.211 1.00 35.34 O ATOM 110 CB GLU A 9 21.501 41.705 57.157 1.00 2.44 C ATOM 111 CG GLU A 9 23.011 41.591 57.317 1.00 63.44 C ATOM 112 CD GLU A 9 23.701 41.115 56.071 1.00 71.32 C ATOM 113 OE1 GLU A 9 23.852 39.898 55.895 1.00 30.31 O ATOM 114 OE2 GLU A 9 24.136 41.950 55.246 1.00 72.51 O ATOM 0 H GLU A 9 22.333 43.406 58.952 1.00 51.04 H new ATOM 0 HA GLU A 9 19.715 42.342 58.145 1.00 35.44 H new ATOM 0 HB2 GLU A 9 21.107 40.735 56.853 1.00 2.44 H new ATOM 0 HB3 GLU A 9 21.286 42.404 56.349 1.00 2.44 H new ATOM 0 HG2 GLU A 9 23.415 42.563 57.600 1.00 63.44 H new ATOM 0 HG3 GLU A 9 23.233 40.904 58.133 1.00 63.44 H new ATOM 121 N PRO A 10 19.642 40.406 59.726 1.00 74.34 N ATOM 122 CA PRO A 10 19.565 39.347 60.714 1.00 63.33 C ATOM 123 C PRO A 10 20.464 38.182 60.342 1.00 23.31 C ATOM 124 O PRO A 10 20.410 37.665 59.209 1.00 43.22 O ATOM 125 CB PRO A 10 18.094 38.917 60.711 1.00 51.41 C ATOM 126 CG PRO A 10 17.537 39.420 59.425 1.00 23.10 C ATOM 127 CD PRO A 10 18.353 40.624 59.042 1.00 42.05 C ATOM 0 HA PRO A 10 19.898 39.683 61.696 1.00 63.33 H new ATOM 0 HB2 PRO A 10 18.001 37.833 60.782 1.00 51.41 H new ATOM 0 HB3 PRO A 10 17.560 39.339 61.562 1.00 51.41 H new ATOM 0 HG2 PRO A 10 17.593 38.653 58.653 1.00 23.10 H new ATOM 0 HG3 PRO A 10 16.485 39.685 59.536 1.00 23.10 H new ATOM 0 HD2 PRO A 10 18.480 40.694 57.962 1.00 42.05 H new ATOM 0 HD3 PRO A 10 17.878 41.549 59.368 1.00 42.05 H new ATOM 135 N GLN A 11 21.297 37.801 61.269 1.00 14.20 N ATOM 136 CA GLN A 11 22.214 36.711 61.084 1.00 42.43 C ATOM 137 C GLN A 11 21.468 35.432 61.345 1.00 64.21 C ATOM 138 O GLN A 11 21.121 35.123 62.491 1.00 54.42 O ATOM 139 CB GLN A 11 23.381 36.841 62.049 1.00 40.40 C ATOM 140 CG GLN A 11 24.144 38.145 61.925 1.00 45.22 C ATOM 141 CD GLN A 11 25.187 38.301 63.004 1.00 55.55 C ATOM 142 OE1 GLN A 11 25.035 37.788 64.116 1.00 24.34 O ATOM 143 NE2 GLN A 11 26.225 39.017 62.713 1.00 32.13 N ATOM 0 H GLN A 11 21.359 38.244 62.186 1.00 14.20 H new ATOM 0 HA GLN A 11 22.611 36.718 60.069 1.00 42.43 H new ATOM 0 HB2 GLN A 11 23.008 36.746 63.069 1.00 40.40 H new ATOM 0 HB3 GLN A 11 24.070 36.012 61.883 1.00 40.40 H new ATOM 0 HG2 GLN A 11 24.625 38.191 60.948 1.00 45.22 H new ATOM 0 HG3 GLN A 11 23.444 38.979 61.975 1.00 45.22 H new ATOM 0 HE21 GLN A 11 26.318 39.426 61.783 1.00 32.13 H new ATOM 0 HE22 GLN A 11 26.950 39.172 63.413 1.00 32.13 H new ATOM 152 N VAL A 12 21.153 34.743 60.305 1.00 63.03 N ATOM 153 CA VAL A 12 20.406 33.524 60.400 1.00 63.23 C ATOM 154 C VAL A 12 21.328 32.397 60.010 1.00 40.52 C ATOM 155 O VAL A 12 22.265 32.610 59.232 1.00 24.50 O ATOM 156 CB VAL A 12 19.192 33.543 59.405 1.00 4.31 C ATOM 157 CG1 VAL A 12 18.274 32.343 59.599 1.00 51.10 C ATOM 158 CG2 VAL A 12 18.404 34.841 59.505 1.00 45.04 C ATOM 0 H VAL A 12 21.406 35.006 59.353 1.00 63.03 H new ATOM 0 HA VAL A 12 20.026 33.402 61.414 1.00 63.23 H new ATOM 0 HB VAL A 12 19.613 33.479 58.402 1.00 4.31 H new ATOM 0 HG11 VAL A 12 17.448 32.398 58.890 1.00 51.10 H new ATOM 0 HG12 VAL A 12 18.836 31.424 59.431 1.00 51.10 H new ATOM 0 HG13 VAL A 12 17.880 32.347 60.615 1.00 51.10 H new ATOM 0 HG21 VAL A 12 17.572 34.817 58.801 1.00 45.04 H new ATOM 0 HG22 VAL A 12 18.019 34.956 60.518 1.00 45.04 H new ATOM 0 HG23 VAL A 12 19.056 35.682 59.267 1.00 45.04 H new ATOM 168 N GLU A 13 21.139 31.236 60.568 1.00 62.55 N ATOM 169 CA GLU A 13 21.843 30.119 60.078 1.00 22.11 C ATOM 170 C GLU A 13 21.068 29.627 58.880 1.00 63.32 C ATOM 171 O GLU A 13 19.855 29.357 58.976 1.00 31.25 O ATOM 172 CB GLU A 13 22.044 29.004 61.124 1.00 62.53 C ATOM 173 CG GLU A 13 20.778 28.432 61.754 1.00 63.14 C ATOM 174 CD GLU A 13 20.194 29.297 62.843 1.00 50.43 C ATOM 175 OE1 GLU A 13 19.465 30.269 62.535 1.00 43.54 O ATOM 176 OE2 GLU A 13 20.436 29.012 64.028 1.00 42.43 O ATOM 0 H GLU A 13 20.510 31.053 61.350 1.00 62.55 H new ATOM 0 HA GLU A 13 22.858 30.413 59.811 1.00 22.11 H new ATOM 0 HB2 GLU A 13 22.591 28.187 60.653 1.00 62.53 H new ATOM 0 HB3 GLU A 13 22.677 29.393 61.921 1.00 62.53 H new ATOM 0 HG2 GLU A 13 20.029 28.289 60.975 1.00 63.14 H new ATOM 0 HG3 GLU A 13 21.001 27.448 62.166 1.00 63.14 H new ATOM 183 N THR A 14 21.723 29.592 57.759 1.00 11.12 N ATOM 184 CA THR A 14 21.108 29.199 56.519 1.00 3.42 C ATOM 185 C THR A 14 20.591 27.772 56.634 1.00 43.13 C ATOM 186 O THR A 14 21.363 26.810 56.659 1.00 71.11 O ATOM 187 CB THR A 14 22.100 29.369 55.357 1.00 12.14 C ATOM 188 OG1 THR A 14 22.553 30.746 55.365 1.00 71.35 O ATOM 189 CG2 THR A 14 21.440 29.068 54.017 1.00 71.33 C ATOM 0 H THR A 14 22.709 29.837 57.674 1.00 11.12 H new ATOM 0 HA THR A 14 20.255 29.844 56.308 1.00 3.42 H new ATOM 0 HB THR A 14 22.930 28.674 55.485 1.00 12.14 H new ATOM 0 HG1 THR A 14 23.190 30.885 54.634 1.00 71.35 H new ATOM 0 HG21 THR A 14 22.168 29.197 53.216 1.00 71.33 H new ATOM 0 HG22 THR A 14 21.075 28.041 54.014 1.00 71.33 H new ATOM 0 HG23 THR A 14 20.604 29.750 53.862 1.00 71.33 H new ATOM 197 N THR A 15 19.292 27.668 56.776 1.00 31.32 N ATOM 198 CA THR A 15 18.647 26.431 57.014 1.00 73.31 C ATOM 199 C THR A 15 18.458 25.663 55.706 1.00 34.13 C ATOM 200 O THR A 15 17.521 25.912 54.932 1.00 2.35 O ATOM 201 CB THR A 15 17.306 26.679 57.730 1.00 43.11 C ATOM 202 OG1 THR A 15 17.549 27.575 58.855 1.00 3.22 O ATOM 203 CG2 THR A 15 16.718 25.372 58.257 1.00 20.54 C ATOM 0 H THR A 15 18.656 28.464 56.726 1.00 31.32 H new ATOM 0 HA THR A 15 19.271 25.814 57.661 1.00 73.31 H new ATOM 0 HB THR A 15 16.599 27.115 57.024 1.00 43.11 H new ATOM 0 HG1 THR A 15 16.706 27.747 59.324 1.00 3.22 H new ATOM 0 HG21 THR A 15 15.772 25.575 58.758 1.00 20.54 H new ATOM 0 HG22 THR A 15 16.549 24.688 57.426 1.00 20.54 H new ATOM 0 HG23 THR A 15 17.413 24.919 58.964 1.00 20.54 H new ATOM 211 N SER A 16 19.396 24.802 55.441 1.00 4.31 N ATOM 212 CA SER A 16 19.394 23.971 54.276 1.00 11.34 C ATOM 213 C SER A 16 19.746 22.554 54.702 1.00 2.41 C ATOM 214 O SER A 16 20.916 22.154 54.709 1.00 62.34 O ATOM 215 CB SER A 16 20.405 24.490 53.241 1.00 23.21 C ATOM 216 OG SER A 16 20.165 25.864 52.924 1.00 13.11 O ATOM 0 H SER A 16 20.204 24.655 56.046 1.00 4.31 H new ATOM 0 HA SER A 16 18.409 23.986 53.810 1.00 11.34 H new ATOM 0 HB2 SER A 16 21.417 24.375 53.629 1.00 23.21 H new ATOM 0 HB3 SER A 16 20.341 23.889 52.334 1.00 23.21 H new ATOM 0 HG SER A 16 20.824 26.168 52.265 1.00 13.11 H new ATOM 222 N VAL A 17 18.753 21.842 55.148 1.00 62.12 N ATOM 223 CA VAL A 17 18.928 20.498 55.623 1.00 43.24 C ATOM 224 C VAL A 17 18.318 19.554 54.619 1.00 13.13 C ATOM 225 O VAL A 17 17.109 19.572 54.396 1.00 11.34 O ATOM 226 CB VAL A 17 18.240 20.279 57.002 1.00 40.41 C ATOM 227 CG1 VAL A 17 18.538 18.893 57.552 1.00 62.21 C ATOM 228 CG2 VAL A 17 18.643 21.349 58.005 1.00 43.24 C ATOM 0 H VAL A 17 17.791 22.179 55.193 1.00 62.12 H new ATOM 0 HA VAL A 17 19.995 20.312 55.745 1.00 43.24 H new ATOM 0 HB VAL A 17 17.165 20.359 56.841 1.00 40.41 H new ATOM 0 HG11 VAL A 17 18.044 18.770 58.516 1.00 62.21 H new ATOM 0 HG12 VAL A 17 18.170 18.139 56.857 1.00 62.21 H new ATOM 0 HG13 VAL A 17 19.614 18.775 57.678 1.00 62.21 H new ATOM 0 HG21 VAL A 17 18.143 21.163 58.956 1.00 43.24 H new ATOM 0 HG22 VAL A 17 19.723 21.322 58.151 1.00 43.24 H new ATOM 0 HG23 VAL A 17 18.352 22.329 57.628 1.00 43.24 H new ATOM 616 N GLY A 45 6.325 -13.440 2.611 1.00 12.32 N ATOM 617 CA GLY A 45 4.960 -13.872 2.778 1.00 24.32 C ATOM 618 C GLY A 45 4.075 -12.713 2.484 1.00 2.14 C ATOM 619 O GLY A 45 3.185 -12.374 3.253 1.00 24.11 O ATOM 0 HA2 GLY A 45 4.738 -14.702 2.107 1.00 24.32 H new ATOM 0 HA3 GLY A 45 4.795 -14.230 3.794 1.00 24.32 H new ATOM 623 N SER A 46 4.271 -12.149 1.334 1.00 24.45 N ATOM 624 CA SER A 46 3.710 -10.879 1.025 1.00 53.52 C ATOM 625 C SER A 46 2.336 -10.992 0.410 1.00 73.44 C ATOM 626 O SER A 46 1.999 -11.977 -0.235 1.00 23.32 O ATOM 627 CB SER A 46 4.618 -10.195 0.046 1.00 33.01 C ATOM 628 OG SER A 46 5.972 -10.248 0.478 1.00 12.10 O ATOM 0 H SER A 46 4.826 -12.560 0.584 1.00 24.45 H new ATOM 0 HA SER A 46 3.611 -10.315 1.953 1.00 53.52 H new ATOM 0 HB2 SER A 46 4.526 -10.669 -0.931 1.00 33.01 H new ATOM 0 HB3 SER A 46 4.312 -9.156 -0.073 1.00 33.01 H new ATOM 0 HG SER A 46 6.511 -9.631 -0.060 1.00 12.10 H new ATOM 634 N ALA A 47 1.572 -9.967 0.628 1.00 40.15 N ATOM 635 CA ALA A 47 0.238 -9.846 0.123 1.00 0.03 C ATOM 636 C ALA A 47 0.240 -8.725 -0.906 1.00 51.14 C ATOM 637 O ALA A 47 1.325 -8.299 -1.348 1.00 35.12 O ATOM 638 CB ALA A 47 -0.709 -9.541 1.271 1.00 31.25 C ATOM 0 H ALA A 47 1.870 -9.163 1.181 1.00 40.15 H new ATOM 0 HA ALA A 47 -0.098 -10.771 -0.346 1.00 0.03 H new ATOM 0 HB1 ALA A 47 -1.726 -9.448 0.889 1.00 31.25 H new ATOM 0 HB2 ALA A 47 -0.668 -10.349 2.001 1.00 31.25 H new ATOM 0 HB3 ALA A 47 -0.414 -8.606 1.748 1.00 31.25 H new ATOM 644 N LEU A 48 -0.915 -8.223 -1.275 1.00 4.22 N ATOM 645 CA LEU A 48 -0.972 -7.202 -2.286 1.00 51.45 C ATOM 646 C LEU A 48 -1.829 -6.028 -1.858 1.00 63.31 C ATOM 647 O LEU A 48 -2.708 -6.161 -1.003 1.00 54.05 O ATOM 648 CB LEU A 48 -1.383 -7.790 -3.669 1.00 34.13 C ATOM 649 CG LEU A 48 -2.712 -8.581 -3.783 1.00 32.42 C ATOM 650 CD1 LEU A 48 -3.934 -7.674 -3.718 1.00 55.31 C ATOM 651 CD2 LEU A 48 -2.734 -9.406 -5.059 1.00 55.35 C ATOM 0 H LEU A 48 -1.818 -8.504 -0.893 1.00 4.22 H new ATOM 0 HA LEU A 48 0.035 -6.803 -2.411 1.00 51.45 H new ATOM 0 HB2 LEU A 48 -1.430 -6.963 -4.378 1.00 34.13 H new ATOM 0 HB3 LEU A 48 -0.579 -8.448 -3.999 1.00 34.13 H new ATOM 0 HG LEU A 48 -2.760 -9.249 -2.923 1.00 32.42 H new ATOM 0 HD11 LEU A 48 -4.839 -8.276 -3.802 1.00 55.31 H new ATOM 0 HD12 LEU A 48 -3.941 -7.140 -2.768 1.00 55.31 H new ATOM 0 HD13 LEU A 48 -3.898 -6.956 -4.537 1.00 55.31 H new ATOM 0 HD21 LEU A 48 -3.674 -9.954 -5.122 1.00 55.35 H new ATOM 0 HD22 LEU A 48 -2.641 -8.745 -5.921 1.00 55.35 H new ATOM 0 HD23 LEU A 48 -1.903 -10.111 -5.051 1.00 55.35 H new ATOM 663 N LEU A 49 -1.561 -4.898 -2.429 1.00 41.31 N ATOM 664 CA LEU A 49 -2.285 -3.704 -2.145 1.00 30.32 C ATOM 665 C LEU A 49 -2.685 -3.022 -3.436 1.00 15.44 C ATOM 666 O LEU A 49 -1.933 -3.035 -4.408 1.00 74.21 O ATOM 667 CB LEU A 49 -1.493 -2.786 -1.174 1.00 44.43 C ATOM 668 CG LEU A 49 -0.025 -2.418 -1.520 1.00 72.25 C ATOM 669 CD1 LEU A 49 0.075 -1.377 -2.630 1.00 2.13 C ATOM 670 CD2 LEU A 49 0.721 -1.955 -0.276 1.00 21.11 C ATOM 0 H LEU A 49 -0.819 -4.778 -3.118 1.00 41.31 H new ATOM 0 HA LEU A 49 -3.208 -3.953 -1.622 1.00 30.32 H new ATOM 0 HB2 LEU A 49 -2.051 -1.855 -1.072 1.00 44.43 H new ATOM 0 HB3 LEU A 49 -1.491 -3.266 -0.195 1.00 44.43 H new ATOM 0 HG LEU A 49 0.447 -3.325 -1.898 1.00 72.25 H new ATOM 0 HD11 LEU A 49 1.124 -1.158 -2.830 1.00 2.13 H new ATOM 0 HD12 LEU A 49 -0.394 -1.764 -3.535 1.00 2.13 H new ATOM 0 HD13 LEU A 49 -0.433 -0.464 -2.320 1.00 2.13 H new ATOM 0 HD21 LEU A 49 1.748 -1.702 -0.541 1.00 21.11 H new ATOM 0 HD22 LEU A 49 0.226 -1.077 0.139 1.00 21.11 H new ATOM 0 HD23 LEU A 49 0.724 -2.754 0.465 1.00 21.11 H new ATOM 682 N VAL A 50 -3.863 -2.476 -3.465 1.00 32.14 N ATOM 683 CA VAL A 50 -4.386 -1.840 -4.657 1.00 54.41 C ATOM 684 C VAL A 50 -4.661 -0.376 -4.375 1.00 74.14 C ATOM 685 O VAL A 50 -5.364 -0.056 -3.427 1.00 40.32 O ATOM 686 CB VAL A 50 -5.718 -2.508 -5.126 1.00 1.42 C ATOM 687 CG1 VAL A 50 -6.241 -1.859 -6.406 1.00 51.14 C ATOM 688 CG2 VAL A 50 -5.551 -4.013 -5.321 1.00 71.14 C ATOM 0 H VAL A 50 -4.497 -2.454 -2.666 1.00 32.14 H new ATOM 0 HA VAL A 50 -3.639 -1.950 -5.443 1.00 54.41 H new ATOM 0 HB VAL A 50 -6.453 -2.350 -4.337 1.00 1.42 H new ATOM 0 HG11 VAL A 50 -7.169 -2.345 -6.708 1.00 51.14 H new ATOM 0 HG12 VAL A 50 -6.428 -0.800 -6.227 1.00 51.14 H new ATOM 0 HG13 VAL A 50 -5.500 -1.968 -7.198 1.00 51.14 H new ATOM 0 HG21 VAL A 50 -6.497 -4.445 -5.647 1.00 71.14 H new ATOM 0 HG22 VAL A 50 -4.787 -4.200 -6.076 1.00 71.14 H new ATOM 0 HG23 VAL A 50 -5.249 -4.471 -4.379 1.00 71.14 H new ATOM 698 N VAL A 51 -4.116 0.501 -5.171 1.00 61.01 N ATOM 699 CA VAL A 51 -4.395 1.903 -5.004 1.00 33.21 C ATOM 700 C VAL A 51 -5.551 2.246 -5.904 1.00 43.10 C ATOM 701 O VAL A 51 -5.461 2.116 -7.133 1.00 70.01 O ATOM 702 CB VAL A 51 -3.161 2.807 -5.332 1.00 32.22 C ATOM 703 CG1 VAL A 51 -3.468 4.264 -5.029 1.00 60.25 C ATOM 704 CG2 VAL A 51 -1.939 2.350 -4.544 1.00 60.31 C ATOM 0 H VAL A 51 -3.481 0.275 -5.936 1.00 61.01 H new ATOM 0 HA VAL A 51 -4.638 2.094 -3.959 1.00 33.21 H new ATOM 0 HB VAL A 51 -2.944 2.714 -6.396 1.00 32.22 H new ATOM 0 HG11 VAL A 51 -2.597 4.876 -5.264 1.00 60.25 H new ATOM 0 HG12 VAL A 51 -4.315 4.591 -5.633 1.00 60.25 H new ATOM 0 HG13 VAL A 51 -3.713 4.372 -3.972 1.00 60.25 H new ATOM 0 HG21 VAL A 51 -1.090 2.990 -4.785 1.00 60.31 H new ATOM 0 HG22 VAL A 51 -2.150 2.413 -3.476 1.00 60.31 H new ATOM 0 HG23 VAL A 51 -1.702 1.319 -4.806 1.00 60.31 H new ATOM 714 N LYS A 52 -6.652 2.639 -5.280 1.00 52.21 N ATOM 715 CA LYS A 52 -7.857 3.015 -5.996 1.00 20.32 C ATOM 716 C LYS A 52 -7.590 4.258 -6.784 1.00 53.13 C ATOM 717 O LYS A 52 -7.942 4.365 -7.950 1.00 10.12 O ATOM 718 CB LYS A 52 -9.007 3.275 -5.025 1.00 71.41 C ATOM 719 CG LYS A 52 -9.537 2.052 -4.307 1.00 4.35 C ATOM 720 CD LYS A 52 -10.641 2.452 -3.344 1.00 63.02 C ATOM 721 CE LYS A 52 -11.371 1.248 -2.784 1.00 54.34 C ATOM 722 NZ LYS A 52 -12.434 1.634 -1.840 1.00 41.04 N ATOM 0 H LYS A 52 -6.733 2.705 -4.265 1.00 52.21 H new ATOM 0 HA LYS A 52 -8.139 2.197 -6.659 1.00 20.32 H new ATOM 0 HB2 LYS A 52 -8.675 3.998 -4.280 1.00 71.41 H new ATOM 0 HB3 LYS A 52 -9.827 3.737 -5.574 1.00 71.41 H new ATOM 0 HG2 LYS A 52 -9.918 1.332 -5.031 1.00 4.35 H new ATOM 0 HG3 LYS A 52 -8.730 1.561 -3.764 1.00 4.35 H new ATOM 0 HD2 LYS A 52 -10.215 3.031 -2.525 1.00 63.02 H new ATOM 0 HD3 LYS A 52 -11.352 3.100 -3.857 1.00 63.02 H new ATOM 0 HE2 LYS A 52 -11.805 0.674 -3.603 1.00 54.34 H new ATOM 0 HE3 LYS A 52 -10.659 0.595 -2.280 1.00 54.34 H new ATOM 0 HZ1 LYS A 52 -13.182 0.911 -1.845 1.00 41.04 H new ATOM 0 HZ2 LYS A 52 -12.036 1.714 -0.883 1.00 41.04 H new ATOM 0 HZ3 LYS A 52 -12.836 2.550 -2.125 1.00 41.04 H new ATOM 736 N ARG A 53 -6.931 5.174 -6.142 1.00 54.01 N ATOM 737 CA ARG A 53 -6.565 6.420 -6.735 1.00 63.33 C ATOM 738 C ARG A 53 -5.598 7.084 -5.802 1.00 65.44 C ATOM 739 O ARG A 53 -5.793 7.057 -4.582 1.00 35.21 O ATOM 740 CB ARG A 53 -7.794 7.329 -6.984 1.00 44.53 C ATOM 741 CG ARG A 53 -7.499 8.569 -7.831 1.00 62.51 C ATOM 742 CD ARG A 53 -6.987 8.171 -9.216 1.00 5.11 C ATOM 743 NE ARG A 53 -6.715 9.323 -10.085 1.00 64.33 N ATOM 744 CZ ARG A 53 -6.001 9.269 -11.222 1.00 21.13 C ATOM 745 NH1 ARG A 53 -5.378 8.152 -11.570 1.00 35.31 N ATOM 746 NH2 ARG A 53 -5.872 10.354 -11.981 1.00 5.33 N ATOM 0 H ARG A 53 -6.628 5.073 -5.173 1.00 54.01 H new ATOM 0 HA ARG A 53 -6.114 6.245 -7.712 1.00 63.33 H new ATOM 0 HB2 ARG A 53 -8.570 6.743 -7.476 1.00 44.53 H new ATOM 0 HB3 ARG A 53 -8.196 7.648 -6.022 1.00 44.53 H new ATOM 0 HG2 ARG A 53 -8.403 9.170 -7.931 1.00 62.51 H new ATOM 0 HG3 ARG A 53 -6.757 9.190 -7.329 1.00 62.51 H new ATOM 0 HD2 ARG A 53 -6.075 7.585 -9.104 1.00 5.11 H new ATOM 0 HD3 ARG A 53 -7.723 7.527 -9.697 1.00 5.11 H new ATOM 0 HE ARG A 53 -7.095 10.228 -9.806 1.00 64.33 H new ATOM 0 HH11 ARG A 53 -5.439 7.327 -10.973 1.00 35.31 H new ATOM 0 HH12 ARG A 53 -4.838 8.118 -12.434 1.00 35.31 H new ATOM 0 HH21 ARG A 53 -6.315 11.229 -11.700 1.00 5.33 H new ATOM 0 HH22 ARG A 53 -5.330 10.311 -12.844 1.00 5.33 H new ATOM 760 N GLY A 54 -4.555 7.606 -6.349 1.00 72.31 N ATOM 761 CA GLY A 54 -3.555 8.257 -5.579 1.00 42.32 C ATOM 762 C GLY A 54 -2.398 8.591 -6.457 1.00 44.44 C ATOM 763 O GLY A 54 -1.987 7.743 -7.255 1.00 22.21 O ATOM 0 H GLY A 54 -4.371 7.592 -7.352 1.00 72.31 H new ATOM 0 HA2 GLY A 54 -3.959 9.164 -5.129 1.00 42.32 H new ATOM 0 HA3 GLY A 54 -3.232 7.612 -4.762 1.00 42.32 H new ATOM 767 N PRO A 55 -1.829 9.802 -6.362 1.00 61.54 N ATOM 768 CA PRO A 55 -0.736 10.227 -7.242 1.00 20.52 C ATOM 769 C PRO A 55 0.557 9.446 -6.998 1.00 52.03 C ATOM 770 O PRO A 55 1.481 9.513 -7.799 1.00 61.00 O ATOM 771 CB PRO A 55 -0.549 11.719 -6.921 1.00 54.45 C ATOM 772 CG PRO A 55 -1.742 12.112 -6.122 1.00 3.54 C ATOM 773 CD PRO A 55 -2.200 10.873 -5.416 1.00 1.20 C ATOM 0 HA PRO A 55 -0.975 10.043 -8.289 1.00 20.52 H new ATOM 0 HB2 PRO A 55 0.370 11.886 -6.360 1.00 54.45 H new ATOM 0 HB3 PRO A 55 -0.477 12.310 -7.834 1.00 54.45 H new ATOM 0 HG2 PRO A 55 -1.491 12.896 -5.408 1.00 3.54 H new ATOM 0 HG3 PRO A 55 -2.528 12.506 -6.765 1.00 3.54 H new ATOM 0 HD2 PRO A 55 -1.706 10.751 -4.452 1.00 1.20 H new ATOM 0 HD3 PRO A 55 -3.273 10.890 -5.224 1.00 1.20 H new ATOM 781 N ASN A 56 0.579 8.678 -5.901 1.00 33.44 N ATOM 782 CA ASN A 56 1.715 7.834 -5.522 1.00 35.51 C ATOM 783 C ASN A 56 2.102 6.906 -6.668 1.00 4.11 C ATOM 784 O ASN A 56 3.286 6.746 -6.961 1.00 73.14 O ATOM 785 CB ASN A 56 1.399 6.999 -4.245 1.00 72.01 C ATOM 786 CG ASN A 56 0.276 5.966 -4.368 1.00 63.00 C ATOM 787 OD1 ASN A 56 -0.673 6.123 -5.130 1.00 1.51 O ATOM 788 ND2 ASN A 56 0.384 4.905 -3.611 1.00 73.45 N ATOM 0 H ASN A 56 -0.201 8.626 -5.246 1.00 33.44 H new ATOM 0 HA ASN A 56 2.555 8.493 -5.301 1.00 35.51 H new ATOM 0 HB2 ASN A 56 2.309 6.480 -3.942 1.00 72.01 H new ATOM 0 HB3 ASN A 56 1.142 7.689 -3.441 1.00 72.01 H new ATOM 0 HD21 ASN A 56 -0.332 4.180 -3.644 1.00 73.45 H new ATOM 0 HD22 ASN A 56 1.185 4.803 -2.987 1.00 73.45 H new ATOM 795 N ALA A 57 1.096 6.327 -7.329 1.00 64.13 N ATOM 796 CA ALA A 57 1.321 5.456 -8.459 1.00 14.12 C ATOM 797 C ALA A 57 0.026 5.176 -9.186 1.00 2.51 C ATOM 798 O ALA A 57 -0.042 5.289 -10.404 1.00 0.23 O ATOM 799 CB ALA A 57 1.953 4.147 -8.022 1.00 50.10 C ATOM 0 H ALA A 57 0.113 6.455 -7.089 1.00 64.13 H new ATOM 0 HA ALA A 57 2.006 5.967 -9.136 1.00 14.12 H new ATOM 0 HB1 ALA A 57 2.111 3.511 -8.893 1.00 50.10 H new ATOM 0 HB2 ALA A 57 2.910 4.348 -7.541 1.00 50.10 H new ATOM 0 HB3 ALA A 57 1.292 3.641 -7.318 1.00 50.10 H new ATOM 805 N GLY A 58 -1.012 4.836 -8.433 1.00 74.22 N ATOM 806 CA GLY A 58 -2.277 4.470 -9.049 1.00 42.25 C ATOM 807 C GLY A 58 -2.158 3.141 -9.771 1.00 14.32 C ATOM 808 O GLY A 58 -2.253 3.074 -11.005 1.00 35.13 O ATOM 0 H GLY A 58 -1.004 4.806 -7.413 1.00 74.22 H new ATOM 0 HA2 GLY A 58 -3.053 4.407 -8.287 1.00 42.25 H new ATOM 0 HA3 GLY A 58 -2.583 5.245 -9.752 1.00 42.25 H new ATOM 812 N ALA A 59 -1.916 2.102 -9.006 1.00 33.00 N ATOM 813 CA ALA A 59 -1.724 0.757 -9.512 1.00 52.31 C ATOM 814 C ALA A 59 -1.809 -0.187 -8.334 1.00 72.50 C ATOM 815 O ALA A 59 -2.051 0.265 -7.203 1.00 65.01 O ATOM 816 CB ALA A 59 -0.346 0.639 -10.169 1.00 35.32 C ATOM 0 H ALA A 59 -1.845 2.167 -7.991 1.00 33.00 H new ATOM 0 HA ALA A 59 -2.482 0.516 -10.257 1.00 52.31 H new ATOM 0 HB1 ALA A 59 -0.209 -0.374 -10.547 1.00 35.32 H new ATOM 0 HB2 ALA A 59 -0.275 1.347 -10.995 1.00 35.32 H new ATOM 0 HB3 ALA A 59 0.428 0.860 -9.434 1.00 35.32 H new ATOM 822 N ARG A 60 -1.633 -1.458 -8.560 1.00 23.03 N ATOM 823 CA ARG A 60 -1.605 -2.394 -7.475 1.00 0.54 C ATOM 824 C ARG A 60 -0.211 -2.968 -7.349 1.00 35.53 C ATOM 825 O ARG A 60 0.495 -3.154 -8.351 1.00 51.11 O ATOM 826 CB ARG A 60 -2.669 -3.501 -7.600 1.00 64.42 C ATOM 827 CG ARG A 60 -2.486 -4.500 -8.733 1.00 5.33 C ATOM 828 CD ARG A 60 -3.589 -5.542 -8.686 1.00 43.41 C ATOM 829 NE ARG A 60 -3.403 -6.631 -9.656 1.00 20.01 N ATOM 830 CZ ARG A 60 -4.345 -7.072 -10.502 1.00 31.43 C ATOM 831 NH1 ARG A 60 -5.503 -6.422 -10.624 1.00 10.23 N ATOM 832 NH2 ARG A 60 -4.117 -8.142 -11.243 1.00 34.43 N ATOM 0 H ARG A 60 -1.507 -1.868 -9.485 1.00 23.03 H new ATOM 0 HA ARG A 60 -1.860 -1.856 -6.562 1.00 0.54 H new ATOM 0 HB2 ARG A 60 -2.697 -4.053 -6.661 1.00 64.42 H new ATOM 0 HB3 ARG A 60 -3.642 -3.025 -7.720 1.00 64.42 H new ATOM 0 HG2 ARG A 60 -2.503 -3.982 -9.692 1.00 5.33 H new ATOM 0 HG3 ARG A 60 -1.513 -4.984 -8.649 1.00 5.33 H new ATOM 0 HD2 ARG A 60 -3.638 -5.964 -7.682 1.00 43.41 H new ATOM 0 HD3 ARG A 60 -4.546 -5.056 -8.875 1.00 43.41 H new ATOM 0 HE ARG A 60 -2.490 -7.085 -9.688 1.00 20.01 H new ATOM 0 HH11 ARG A 60 -5.677 -5.583 -10.071 1.00 10.23 H new ATOM 0 HH12 ARG A 60 -6.214 -6.764 -11.270 1.00 10.23 H new ATOM 0 HH21 ARG A 60 -3.225 -8.632 -11.171 1.00 34.43 H new ATOM 0 HH22 ARG A 60 -4.833 -8.478 -11.887 1.00 34.43 H new ATOM 846 N PHE A 61 0.198 -3.227 -6.148 1.00 31.42 N ATOM 847 CA PHE A 61 1.525 -3.718 -5.894 1.00 0.33 C ATOM 848 C PHE A 61 1.482 -4.895 -4.969 1.00 32.32 C ATOM 849 O PHE A 61 0.530 -5.069 -4.215 1.00 62.43 O ATOM 850 CB PHE A 61 2.417 -2.628 -5.275 1.00 52.11 C ATOM 851 CG PHE A 61 2.629 -1.423 -6.139 1.00 70.32 C ATOM 852 CD1 PHE A 61 3.605 -1.420 -7.122 1.00 44.43 C ATOM 853 CD2 PHE A 61 1.855 -0.292 -5.966 1.00 4.23 C ATOM 854 CE1 PHE A 61 3.803 -0.314 -7.913 1.00 41.51 C ATOM 855 CE2 PHE A 61 2.047 0.816 -6.755 1.00 2.35 C ATOM 856 CZ PHE A 61 3.023 0.807 -7.731 1.00 15.14 C ATOM 0 H PHE A 61 -0.374 -3.106 -5.312 1.00 31.42 H new ATOM 0 HA PHE A 61 1.948 -4.018 -6.853 1.00 0.33 H new ATOM 0 HB2 PHE A 61 1.974 -2.308 -4.332 1.00 52.11 H new ATOM 0 HB3 PHE A 61 3.388 -3.064 -5.039 1.00 52.11 H new ATOM 0 HD1 PHE A 61 4.218 -2.297 -7.268 1.00 44.43 H new ATOM 0 HD2 PHE A 61 1.091 -0.279 -5.203 1.00 4.23 H new ATOM 0 HE1 PHE A 61 4.568 -0.323 -8.675 1.00 41.51 H new ATOM 0 HE2 PHE A 61 1.434 1.694 -6.612 1.00 2.35 H new ATOM 0 HZ PHE A 61 3.175 1.678 -8.351 1.00 15.14 H new ATOM 866 N LEU A 62 2.467 -5.706 -5.070 1.00 50.21 N ATOM 867 CA LEU A 62 2.678 -6.809 -4.189 1.00 44.52 C ATOM 868 C LEU A 62 3.919 -6.415 -3.419 1.00 24.31 C ATOM 869 O LEU A 62 4.818 -5.794 -4.011 1.00 22.23 O ATOM 870 CB LEU A 62 2.866 -8.107 -5.033 1.00 71.45 C ATOM 871 CG LEU A 62 2.916 -9.477 -4.305 1.00 64.35 C ATOM 872 CD1 LEU A 62 2.699 -10.598 -5.308 1.00 1.41 C ATOM 873 CD2 LEU A 62 4.251 -9.699 -3.618 1.00 33.10 C ATOM 0 H LEU A 62 3.180 -5.623 -5.794 1.00 50.21 H new ATOM 0 HA LEU A 62 1.850 -7.019 -3.511 1.00 44.52 H new ATOM 0 HB2 LEU A 62 2.053 -8.149 -5.758 1.00 71.45 H new ATOM 0 HB3 LEU A 62 3.792 -8.001 -5.598 1.00 71.45 H new ATOM 0 HG LEU A 62 2.130 -9.476 -3.550 1.00 64.35 H new ATOM 0 HD11 LEU A 62 2.735 -11.558 -4.794 1.00 1.41 H new ATOM 0 HD12 LEU A 62 1.726 -10.477 -5.784 1.00 1.41 H new ATOM 0 HD13 LEU A 62 3.481 -10.564 -6.067 1.00 1.41 H new ATOM 0 HD21 LEU A 62 4.247 -10.668 -3.120 1.00 33.10 H new ATOM 0 HD22 LEU A 62 5.050 -9.675 -4.359 1.00 33.10 H new ATOM 0 HD23 LEU A 62 4.416 -8.913 -2.881 1.00 33.10 H new ATOM 885 N LEU A 63 3.978 -6.685 -2.127 1.00 52.01 N ATOM 886 CA LEU A 63 5.140 -6.232 -1.373 1.00 1.04 C ATOM 887 C LEU A 63 6.347 -7.045 -1.787 1.00 3.21 C ATOM 888 O LEU A 63 6.436 -8.249 -1.537 1.00 4.23 O ATOM 889 CB LEU A 63 4.930 -6.299 0.166 1.00 12.43 C ATOM 890 CG LEU A 63 3.927 -5.305 0.809 1.00 61.51 C ATOM 891 CD1 LEU A 63 2.485 -5.572 0.385 1.00 30.21 C ATOM 892 CD2 LEU A 63 4.050 -5.338 2.325 1.00 72.01 C ATOM 0 H LEU A 63 3.271 -7.192 -1.594 1.00 52.01 H new ATOM 0 HA LEU A 63 5.299 -5.180 -1.608 1.00 1.04 H new ATOM 0 HB2 LEU A 63 4.605 -7.309 0.415 1.00 12.43 H new ATOM 0 HB3 LEU A 63 5.899 -6.150 0.642 1.00 12.43 H new ATOM 0 HG LEU A 63 4.185 -4.310 0.447 1.00 61.51 H new ATOM 0 HD11 LEU A 63 1.825 -4.848 0.863 1.00 30.21 H new ATOM 0 HD12 LEU A 63 2.401 -5.479 -0.698 1.00 30.21 H new ATOM 0 HD13 LEU A 63 2.198 -6.579 0.686 1.00 30.21 H new ATOM 0 HD21 LEU A 63 3.341 -4.636 2.763 1.00 72.01 H new ATOM 0 HD22 LEU A 63 3.835 -6.344 2.686 1.00 72.01 H new ATOM 0 HD23 LEU A 63 5.063 -5.058 2.614 1.00 72.01 H new ATOM 904 N ASP A 64 7.269 -6.354 -2.407 1.00 24.30 N ATOM 905 CA ASP A 64 8.441 -6.948 -3.013 1.00 14.22 C ATOM 906 C ASP A 64 9.388 -7.399 -1.942 1.00 61.15 C ATOM 907 O ASP A 64 9.682 -8.581 -1.804 1.00 3.53 O ATOM 908 CB ASP A 64 9.127 -5.912 -3.924 1.00 42.41 C ATOM 909 CG ASP A 64 10.301 -6.460 -4.720 1.00 62.43 C ATOM 910 OD1 ASP A 64 11.330 -6.815 -4.131 1.00 22.32 O ATOM 911 OD2 ASP A 64 10.224 -6.481 -5.978 1.00 33.31 O ATOM 0 H ASP A 64 7.228 -5.340 -2.509 1.00 24.30 H new ATOM 0 HA ASP A 64 8.147 -7.811 -3.611 1.00 14.22 H new ATOM 0 HB2 ASP A 64 8.389 -5.510 -4.618 1.00 42.41 H new ATOM 0 HB3 ASP A 64 9.475 -5.080 -3.311 1.00 42.41 H new ATOM 916 N GLN A 65 9.824 -6.464 -1.165 1.00 51.23 N ATOM 917 CA GLN A 65 10.750 -6.718 -0.120 1.00 13.42 C ATOM 918 C GLN A 65 10.017 -6.733 1.211 1.00 2.55 C ATOM 919 O GLN A 65 9.197 -5.856 1.445 1.00 13.10 O ATOM 920 CB GLN A 65 11.829 -5.635 -0.134 1.00 25.20 C ATOM 921 CG GLN A 65 12.772 -5.650 1.055 1.00 32.21 C ATOM 922 CD GLN A 65 13.820 -4.558 0.994 1.00 63.24 C ATOM 923 OE1 GLN A 65 14.917 -4.709 1.538 1.00 35.54 O ATOM 924 NE2 GLN A 65 13.506 -3.453 0.350 1.00 51.04 N ATOM 0 H GLN A 65 9.540 -5.487 -1.242 1.00 51.23 H new ATOM 0 HA GLN A 65 11.225 -7.689 -0.264 1.00 13.42 H new ATOM 0 HB2 GLN A 65 12.417 -5.742 -1.046 1.00 25.20 H new ATOM 0 HB3 GLN A 65 11.343 -4.660 -0.180 1.00 25.20 H new ATOM 0 HG2 GLN A 65 12.193 -5.539 1.972 1.00 32.21 H new ATOM 0 HG3 GLN A 65 13.268 -6.619 1.106 1.00 32.21 H new ATOM 0 HE21 GLN A 65 12.590 -3.361 -0.089 1.00 51.04 H new ATOM 0 HE22 GLN A 65 14.179 -2.689 0.290 1.00 51.04 H new ATOM 933 N PRO A 66 10.273 -7.760 2.078 1.00 32.53 N ATOM 934 CA PRO A 66 9.714 -7.875 3.441 1.00 62.40 C ATOM 935 C PRO A 66 9.607 -6.530 4.175 1.00 3.11 C ATOM 936 O PRO A 66 8.589 -6.221 4.779 1.00 40.43 O ATOM 937 CB PRO A 66 10.719 -8.794 4.148 1.00 75.22 C ATOM 938 CG PRO A 66 11.720 -9.187 3.093 1.00 62.14 C ATOM 939 CD PRO A 66 11.070 -8.942 1.785 1.00 23.31 C ATOM 0 HA PRO A 66 8.691 -8.251 3.424 1.00 62.40 H new ATOM 0 HB2 PRO A 66 11.205 -8.279 4.977 1.00 75.22 H new ATOM 0 HB3 PRO A 66 10.223 -9.671 4.564 1.00 75.22 H new ATOM 0 HG2 PRO A 66 12.634 -8.601 3.188 1.00 62.14 H new ATOM 0 HG3 PRO A 66 12.001 -10.235 3.196 1.00 62.14 H new ATOM 0 HD2 PRO A 66 11.796 -8.762 0.993 1.00 23.31 H new ATOM 0 HD3 PRO A 66 10.455 -9.784 1.468 1.00 23.31 H new ATOM 947 N THR A 67 10.649 -5.753 4.136 1.00 42.23 N ATOM 948 CA THR A 67 10.572 -4.435 4.666 1.00 3.11 C ATOM 949 C THR A 67 10.541 -3.452 3.497 1.00 64.34 C ATOM 950 O THR A 67 11.580 -3.108 2.923 1.00 31.11 O ATOM 951 CB THR A 67 11.751 -4.141 5.615 1.00 64.31 C ATOM 952 OG1 THR A 67 11.748 -5.107 6.682 1.00 14.25 O ATOM 953 CG2 THR A 67 11.657 -2.729 6.200 1.00 63.52 C ATOM 0 H THR A 67 11.554 -6.012 3.744 1.00 42.23 H new ATOM 0 HA THR A 67 9.664 -4.330 5.260 1.00 3.11 H new ATOM 0 HB THR A 67 12.678 -4.208 5.046 1.00 64.31 H new ATOM 0 HG1 THR A 67 12.496 -4.927 7.288 1.00 14.25 H new ATOM 0 HG21 THR A 67 12.503 -2.553 6.865 1.00 63.52 H new ATOM 0 HG22 THR A 67 11.673 -1.998 5.391 1.00 63.52 H new ATOM 0 HG23 THR A 67 10.728 -2.629 6.761 1.00 63.52 H new ATOM 961 N THR A 68 9.358 -3.049 3.131 1.00 12.42 N ATOM 962 CA THR A 68 9.167 -2.145 2.041 1.00 60.03 C ATOM 963 C THR A 68 9.223 -0.722 2.581 1.00 2.11 C ATOM 964 O THR A 68 8.381 -0.324 3.393 1.00 41.12 O ATOM 965 CB THR A 68 7.788 -2.370 1.387 1.00 51.12 C ATOM 966 OG1 THR A 68 7.585 -3.765 1.089 1.00 13.25 O ATOM 967 CG2 THR A 68 7.673 -1.574 0.105 1.00 4.11 C ATOM 0 H THR A 68 8.494 -3.343 3.586 1.00 12.42 H new ATOM 0 HA THR A 68 9.945 -2.312 1.296 1.00 60.03 H new ATOM 0 HB THR A 68 7.028 -2.037 2.094 1.00 51.12 H new ATOM 0 HG1 THR A 68 8.410 -4.262 1.269 1.00 13.25 H new ATOM 0 HG21 THR A 68 6.694 -1.745 -0.343 1.00 4.11 H new ATOM 0 HG22 THR A 68 7.792 -0.513 0.324 1.00 4.11 H new ATOM 0 HG23 THR A 68 8.450 -1.890 -0.591 1.00 4.11 H new ATOM 975 N THR A 69 10.209 0.019 2.181 1.00 3.32 N ATOM 976 CA THR A 69 10.336 1.363 2.640 1.00 2.25 C ATOM 977 C THR A 69 9.734 2.329 1.603 1.00 50.14 C ATOM 978 O THR A 69 10.117 2.333 0.410 1.00 3.43 O ATOM 979 CB THR A 69 11.819 1.711 3.022 1.00 72.33 C ATOM 980 OG1 THR A 69 11.905 3.016 3.600 1.00 25.01 O ATOM 981 CG2 THR A 69 12.771 1.607 1.831 1.00 34.31 C ATOM 0 H THR A 69 10.938 -0.287 1.536 1.00 3.32 H new ATOM 0 HA THR A 69 9.767 1.478 3.562 1.00 2.25 H new ATOM 0 HB THR A 69 12.130 0.969 3.758 1.00 72.33 H new ATOM 0 HG1 THR A 69 11.980 2.938 4.574 1.00 25.01 H new ATOM 0 HG21 THR A 69 13.782 1.858 2.151 1.00 34.31 H new ATOM 0 HG22 THR A 69 12.756 0.589 1.441 1.00 34.31 H new ATOM 0 HG23 THR A 69 12.455 2.300 1.051 1.00 34.31 H new ATOM 989 N ALA A 70 8.740 3.076 2.026 1.00 54.34 N ATOM 990 CA ALA A 70 8.080 4.004 1.165 1.00 10.31 C ATOM 991 C ALA A 70 8.398 5.417 1.568 1.00 13.14 C ATOM 992 O ALA A 70 8.613 5.720 2.757 1.00 2.14 O ATOM 993 CB ALA A 70 6.585 3.780 1.177 1.00 62.53 C ATOM 0 H ALA A 70 8.374 3.050 2.978 1.00 54.34 H new ATOM 0 HA ALA A 70 8.444 3.840 0.151 1.00 10.31 H new ATOM 0 HB1 ALA A 70 6.104 4.499 0.514 1.00 62.53 H new ATOM 0 HB2 ALA A 70 6.366 2.768 0.836 1.00 62.53 H new ATOM 0 HB3 ALA A 70 6.206 3.911 2.190 1.00 62.53 H new ATOM 999 N GLY A 71 8.416 6.268 0.596 1.00 44.55 N ATOM 1000 CA GLY A 71 8.724 7.634 0.797 1.00 64.45 C ATOM 1001 C GLY A 71 9.401 8.113 -0.412 1.00 20.13 C ATOM 1002 O GLY A 71 8.999 7.749 -1.520 1.00 63.31 O ATOM 0 H GLY A 71 8.213 6.024 -0.373 1.00 44.55 H new ATOM 0 HA2 GLY A 71 7.817 8.209 0.982 1.00 64.45 H new ATOM 0 HA3 GLY A 71 9.364 7.759 1.670 1.00 64.45 H new ATOM 1006 N ARG A 72 10.419 8.877 -0.244 1.00 14.21 N ATOM 1007 CA ARG A 72 11.188 9.289 -1.364 1.00 22.41 C ATOM 1008 C ARG A 72 12.558 8.662 -1.365 1.00 22.54 C ATOM 1009 O ARG A 72 12.697 7.553 -1.892 1.00 50.34 O ATOM 1010 CB ARG A 72 11.140 10.804 -1.632 1.00 52.43 C ATOM 1011 CG ARG A 72 10.964 11.668 -0.400 1.00 45.04 C ATOM 1012 CD ARG A 72 10.816 13.127 -0.785 1.00 43.01 C ATOM 1013 NE ARG A 72 10.365 13.961 0.340 1.00 15.23 N ATOM 1014 CZ ARG A 72 11.115 14.859 0.980 1.00 54.35 C ATOM 1015 NH1 ARG A 72 12.430 14.946 0.734 1.00 33.33 N ATOM 1016 NH2 ARG A 72 10.554 15.658 1.873 1.00 75.11 N ATOM 0 H ARG A 72 10.740 9.230 0.657 1.00 14.21 H new ATOM 0 HA ARG A 72 10.701 8.887 -2.253 1.00 22.41 H new ATOM 0 HB2 ARG A 72 12.061 11.098 -2.135 1.00 52.43 H new ATOM 0 HB3 ARG A 72 10.321 11.010 -2.321 1.00 52.43 H new ATOM 0 HG2 ARG A 72 10.085 11.342 0.156 1.00 45.04 H new ATOM 0 HG3 ARG A 72 11.822 11.546 0.261 1.00 45.04 H new ATOM 0 HD2 ARG A 72 11.772 13.502 -1.151 1.00 43.01 H new ATOM 0 HD3 ARG A 72 10.104 13.213 -1.606 1.00 43.01 H new ATOM 0 HE ARG A 72 9.402 13.843 0.656 1.00 15.23 H new ATOM 0 HH11 ARG A 72 12.864 14.323 0.053 1.00 33.33 H new ATOM 0 HH12 ARG A 72 12.997 15.636 1.228 1.00 33.33 H new ATOM 0 HH21 ARG A 72 9.555 15.584 2.067 1.00 75.11 H new ATOM 0 HH22 ARG A 72 11.120 16.348 2.367 1.00 75.11 H new ATOM 1030 N HIS A 73 13.557 9.296 -0.724 1.00 62.22 N ATOM 1031 CA HIS A 73 14.929 8.768 -0.688 1.00 73.21 C ATOM 1032 C HIS A 73 15.516 8.648 -2.127 1.00 25.11 C ATOM 1033 O HIS A 73 14.835 8.953 -3.118 1.00 43.42 O ATOM 1034 CB HIS A 73 14.961 7.380 0.007 1.00 51.31 C ATOM 1035 CG HIS A 73 14.580 7.353 1.454 1.00 11.52 C ATOM 1036 ND1 HIS A 73 13.778 6.380 2.009 1.00 0.30 N ATOM 1037 CD2 HIS A 73 14.974 8.143 2.482 1.00 55.33 C ATOM 1038 CE1 HIS A 73 13.711 6.591 3.317 1.00 62.21 C ATOM 1039 NE2 HIS A 73 14.424 7.653 3.669 1.00 72.02 N ATOM 0 H HIS A 73 13.437 10.177 -0.223 1.00 62.22 H new ATOM 0 HA HIS A 73 15.541 9.467 -0.117 1.00 73.21 H new ATOM 0 HB2 HIS A 73 14.293 6.711 -0.535 1.00 51.31 H new ATOM 0 HB3 HIS A 73 15.967 6.973 -0.089 1.00 51.31 H new ATOM 0 HD2 HIS A 73 15.611 9.011 2.397 1.00 55.33 H new ATOM 0 HE1 HIS A 73 13.149 5.978 4.006 1.00 62.21 H new ATOM 0 HE2 HIS A 73 14.545 8.032 4.608 1.00 72.02 H new ATOM 1047 N PRO A 74 16.808 8.302 -2.279 1.00 65.30 N ATOM 1048 CA PRO A 74 17.356 7.959 -3.592 1.00 24.42 C ATOM 1049 C PRO A 74 16.749 6.650 -4.143 1.00 54.23 C ATOM 1050 O PRO A 74 16.744 6.416 -5.348 1.00 31.40 O ATOM 1051 CB PRO A 74 18.855 7.774 -3.328 1.00 61.15 C ATOM 1052 CG PRO A 74 18.952 7.519 -1.870 1.00 62.42 C ATOM 1053 CD PRO A 74 17.873 8.342 -1.248 1.00 63.13 C ATOM 0 HA PRO A 74 17.137 8.725 -4.336 1.00 24.42 H new ATOM 0 HB2 PRO A 74 19.259 6.941 -3.903 1.00 61.15 H new ATOM 0 HB3 PRO A 74 19.420 8.662 -3.613 1.00 61.15 H new ATOM 0 HG2 PRO A 74 18.816 6.461 -1.647 1.00 62.42 H new ATOM 0 HG3 PRO A 74 19.932 7.802 -1.486 1.00 62.42 H new ATOM 0 HD2 PRO A 74 17.537 7.922 -0.300 1.00 63.13 H new ATOM 0 HD3 PRO A 74 18.204 9.360 -1.046 1.00 63.13 H new ATOM 1061 N GLU A 75 16.217 5.820 -3.249 1.00 24.04 N ATOM 1062 CA GLU A 75 15.674 4.534 -3.599 1.00 12.00 C ATOM 1063 C GLU A 75 14.342 4.327 -2.927 1.00 43.31 C ATOM 1064 O GLU A 75 14.266 3.940 -1.751 1.00 51.32 O ATOM 1065 CB GLU A 75 16.612 3.377 -3.222 1.00 20.24 C ATOM 1066 CG GLU A 75 17.922 3.346 -3.970 1.00 73.42 C ATOM 1067 CD GLU A 75 18.756 2.157 -3.590 1.00 53.15 C ATOM 1068 OE1 GLU A 75 18.623 1.090 -4.223 1.00 22.50 O ATOM 1069 OE2 GLU A 75 19.572 2.265 -2.642 1.00 30.10 O ATOM 0 H GLU A 75 16.156 6.035 -2.254 1.00 24.04 H new ATOM 0 HA GLU A 75 15.554 4.530 -4.682 1.00 12.00 H new ATOM 0 HB2 GLU A 75 16.822 3.434 -2.154 1.00 20.24 H new ATOM 0 HB3 GLU A 75 16.090 2.436 -3.395 1.00 20.24 H new ATOM 0 HG2 GLU A 75 17.727 3.325 -5.042 1.00 73.42 H new ATOM 0 HG3 GLU A 75 18.479 4.260 -3.765 1.00 73.42 H new ATOM 1076 N SER A 76 13.324 4.671 -3.620 1.00 73.13 N ATOM 1077 CA SER A 76 11.980 4.393 -3.187 1.00 3.14 C ATOM 1078 C SER A 76 11.713 2.907 -3.470 1.00 33.31 C ATOM 1079 O SER A 76 11.781 2.491 -4.631 1.00 3.31 O ATOM 1080 CB SER A 76 11.016 5.257 -4.006 1.00 1.05 C ATOM 1081 OG SER A 76 11.432 6.619 -4.012 1.00 72.04 O ATOM 0 H SER A 76 13.384 5.158 -4.514 1.00 73.13 H new ATOM 0 HA SER A 76 11.844 4.611 -2.128 1.00 3.14 H new ATOM 0 HB2 SER A 76 10.966 4.884 -5.029 1.00 1.05 H new ATOM 0 HB3 SER A 76 10.011 5.182 -3.590 1.00 1.05 H new ATOM 0 HG SER A 76 11.693 6.885 -3.106 1.00 72.04 H new ATOM 1087 N ASP A 77 11.460 2.095 -2.432 1.00 3.23 N ATOM 1088 CA ASP A 77 11.240 0.650 -2.664 1.00 41.13 C ATOM 1089 C ASP A 77 9.886 0.469 -3.353 1.00 53.14 C ATOM 1090 O ASP A 77 9.709 -0.395 -4.219 1.00 23.23 O ATOM 1091 CB ASP A 77 11.364 -0.171 -1.365 1.00 73.13 C ATOM 1092 CG ASP A 77 11.596 -1.662 -1.614 1.00 73.40 C ATOM 1093 OD1 ASP A 77 12.416 -2.011 -2.509 1.00 44.23 O ATOM 1094 OD2 ASP A 77 11.011 -2.494 -0.904 1.00 34.21 O ATOM 0 H ASP A 77 11.403 2.393 -1.458 1.00 3.23 H new ATOM 0 HA ASP A 77 12.021 0.262 -3.318 1.00 41.13 H new ATOM 0 HB2 ASP A 77 12.188 0.224 -0.771 1.00 73.13 H new ATOM 0 HB3 ASP A 77 10.456 -0.045 -0.775 1.00 73.13 H new ATOM 1099 N ILE A 78 8.948 1.321 -2.977 1.00 71.20 N ATOM 1100 CA ILE A 78 7.708 1.506 -3.710 1.00 74.15 C ATOM 1101 C ILE A 78 7.554 3.001 -3.907 1.00 65.14 C ATOM 1102 O ILE A 78 8.207 3.778 -3.198 1.00 4.20 O ATOM 1103 CB ILE A 78 6.413 0.842 -3.081 1.00 63.23 C ATOM 1104 CG1 ILE A 78 6.028 1.378 -1.691 1.00 32.40 C ATOM 1105 CG2 ILE A 78 6.485 -0.670 -3.085 1.00 51.34 C ATOM 1106 CD1 ILE A 78 5.149 2.619 -1.729 1.00 21.22 C ATOM 0 H ILE A 78 9.027 1.909 -2.147 1.00 71.20 H new ATOM 0 HA ILE A 78 7.787 0.967 -4.654 1.00 74.15 H new ATOM 0 HB ILE A 78 5.604 1.147 -3.745 1.00 63.23 H new ATOM 0 HG12 ILE A 78 5.508 0.593 -1.141 1.00 32.40 H new ATOM 0 HG13 ILE A 78 6.938 1.606 -1.136 1.00 32.40 H new ATOM 0 HG21 ILE A 78 5.576 -1.079 -2.644 1.00 51.34 H new ATOM 0 HG22 ILE A 78 6.584 -1.027 -4.110 1.00 51.34 H new ATOM 0 HG23 ILE A 78 7.348 -0.995 -2.503 1.00 51.34 H new ATOM 0 HD11 ILE A 78 4.921 2.935 -0.711 1.00 21.22 H new ATOM 0 HD12 ILE A 78 5.674 3.421 -2.249 1.00 21.22 H new ATOM 0 HD13 ILE A 78 4.221 2.392 -2.254 1.00 21.22 H new ATOM 1118 N PHE A 79 6.727 3.410 -4.816 1.00 54.11 N ATOM 1119 CA PHE A 79 6.672 4.806 -5.196 1.00 4.14 C ATOM 1120 C PHE A 79 5.510 5.568 -4.581 1.00 74.42 C ATOM 1121 O PHE A 79 4.385 5.068 -4.493 1.00 60.21 O ATOM 1122 CB PHE A 79 6.692 4.963 -6.718 1.00 30.33 C ATOM 1123 CG PHE A 79 7.903 4.341 -7.366 1.00 53.33 C ATOM 1124 CD1 PHE A 79 9.133 4.975 -7.320 1.00 70.23 C ATOM 1125 CD2 PHE A 79 7.807 3.119 -8.018 1.00 2.11 C ATOM 1126 CE1 PHE A 79 10.243 4.405 -7.907 1.00 33.30 C ATOM 1127 CE2 PHE A 79 8.916 2.545 -8.609 1.00 32.04 C ATOM 1128 CZ PHE A 79 10.137 3.189 -8.554 1.00 2.44 C ATOM 0 H PHE A 79 6.075 2.805 -5.316 1.00 54.11 H new ATOM 0 HA PHE A 79 7.572 5.260 -4.783 1.00 4.14 H new ATOM 0 HB2 PHE A 79 5.793 4.510 -7.135 1.00 30.33 H new ATOM 0 HB3 PHE A 79 6.660 6.024 -6.967 1.00 30.33 H new ATOM 0 HD1 PHE A 79 9.224 5.927 -6.818 1.00 70.23 H new ATOM 0 HD2 PHE A 79 6.855 2.611 -8.064 1.00 2.11 H new ATOM 0 HE1 PHE A 79 11.197 4.910 -7.861 1.00 33.30 H new ATOM 0 HE2 PHE A 79 8.829 1.594 -9.113 1.00 32.04 H new ATOM 0 HZ PHE A 79 11.006 2.743 -9.015 1.00 2.44 H new ATOM 1138 N LEU A 80 5.823 6.758 -4.122 1.00 33.41 N ATOM 1139 CA LEU A 80 4.893 7.691 -3.587 1.00 33.35 C ATOM 1140 C LEU A 80 5.125 8.992 -4.291 1.00 64.12 C ATOM 1141 O LEU A 80 6.262 9.291 -4.707 1.00 4.53 O ATOM 1142 CB LEU A 80 5.055 7.892 -2.074 1.00 73.24 C ATOM 1143 CG LEU A 80 4.745 6.697 -1.180 1.00 51.42 C ATOM 1144 CD1 LEU A 80 5.033 7.033 0.266 1.00 11.32 C ATOM 1145 CD2 LEU A 80 3.302 6.248 -1.323 1.00 32.25 C ATOM 0 H LEU A 80 6.782 7.106 -4.117 1.00 33.41 H new ATOM 0 HA LEU A 80 3.883 7.311 -3.741 1.00 33.35 H new ATOM 0 HB2 LEU A 80 6.082 8.202 -1.881 1.00 73.24 H new ATOM 0 HB3 LEU A 80 4.411 8.718 -1.771 1.00 73.24 H new ATOM 0 HG LEU A 80 5.388 5.876 -1.498 1.00 51.42 H new ATOM 0 HD11 LEU A 80 4.807 6.170 0.892 1.00 11.32 H new ATOM 0 HD12 LEU A 80 6.085 7.295 0.376 1.00 11.32 H new ATOM 0 HD13 LEU A 80 4.415 7.876 0.574 1.00 11.32 H new ATOM 0 HD21 LEU A 80 3.120 5.394 -0.670 1.00 32.25 H new ATOM 0 HD22 LEU A 80 2.637 7.066 -1.045 1.00 32.25 H new ATOM 0 HD23 LEU A 80 3.111 5.961 -2.357 1.00 32.25 H new ATOM 1157 N ASP A 81 4.090 9.749 -4.416 1.00 1.21 N ATOM 1158 CA ASP A 81 4.127 11.025 -5.109 1.00 54.53 C ATOM 1159 C ASP A 81 3.002 11.891 -4.621 1.00 35.22 C ATOM 1160 O ASP A 81 1.858 11.723 -5.008 1.00 11.44 O ATOM 1161 CB ASP A 81 4.058 10.853 -6.642 1.00 61.45 C ATOM 1162 CG ASP A 81 4.057 12.177 -7.406 1.00 72.52 C ATOM 1163 OD1 ASP A 81 5.151 12.699 -7.736 1.00 22.40 O ATOM 1164 OD2 ASP A 81 2.978 12.705 -7.716 1.00 33.13 O ATOM 0 H ASP A 81 3.172 9.510 -4.040 1.00 1.21 H new ATOM 0 HA ASP A 81 5.080 11.505 -4.887 1.00 54.53 H new ATOM 0 HB2 ASP A 81 4.907 10.254 -6.971 1.00 61.45 H new ATOM 0 HB3 ASP A 81 3.157 10.295 -6.897 1.00 61.45 H new ATOM 1169 N ASP A 82 3.318 12.701 -3.673 1.00 21.00 N ATOM 1170 CA ASP A 82 2.406 13.686 -3.125 1.00 72.03 C ATOM 1171 C ASP A 82 3.237 14.774 -2.470 1.00 0.20 C ATOM 1172 O ASP A 82 4.352 14.514 -2.050 1.00 54.04 O ATOM 1173 CB ASP A 82 1.460 13.052 -2.088 1.00 34.52 C ATOM 1174 CG ASP A 82 0.440 14.032 -1.552 1.00 72.03 C ATOM 1175 OD1 ASP A 82 0.758 14.783 -0.612 1.00 13.10 O ATOM 1176 OD2 ASP A 82 -0.691 14.083 -2.068 1.00 4.04 O ATOM 0 H ASP A 82 4.239 12.710 -3.234 1.00 21.00 H new ATOM 0 HA ASP A 82 1.788 14.097 -3.924 1.00 72.03 H new ATOM 0 HB2 ASP A 82 0.942 12.208 -2.543 1.00 34.52 H new ATOM 0 HB3 ASP A 82 2.048 12.657 -1.260 1.00 34.52 H new ATOM 1181 N VAL A 83 2.712 15.974 -2.400 1.00 54.20 N ATOM 1182 CA VAL A 83 3.402 17.106 -1.793 1.00 63.43 C ATOM 1183 C VAL A 83 3.710 16.868 -0.290 1.00 62.32 C ATOM 1184 O VAL A 83 4.706 17.372 0.246 1.00 1.31 O ATOM 1185 CB VAL A 83 2.599 18.433 -1.993 1.00 4.43 C ATOM 1186 CG1 VAL A 83 1.204 18.345 -1.382 1.00 20.35 C ATOM 1187 CG2 VAL A 83 3.358 19.634 -1.439 1.00 15.11 C ATOM 0 H VAL A 83 1.787 16.202 -2.763 1.00 54.20 H new ATOM 0 HA VAL A 83 4.358 17.204 -2.307 1.00 63.43 H new ATOM 0 HB VAL A 83 2.482 18.576 -3.067 1.00 4.43 H new ATOM 0 HG11 VAL A 83 0.677 19.286 -1.541 1.00 20.35 H new ATOM 0 HG12 VAL A 83 0.650 17.534 -1.855 1.00 20.35 H new ATOM 0 HG13 VAL A 83 1.287 18.152 -0.312 1.00 20.35 H new ATOM 0 HG21 VAL A 83 2.771 20.539 -1.595 1.00 15.11 H new ATOM 0 HG22 VAL A 83 3.532 19.494 -0.372 1.00 15.11 H new ATOM 0 HG23 VAL A 83 4.314 19.729 -1.953 1.00 15.11 H new ATOM 1197 N THR A 84 2.911 16.064 0.364 1.00 65.14 N ATOM 1198 CA THR A 84 3.097 15.826 1.774 1.00 42.25 C ATOM 1199 C THR A 84 3.891 14.543 2.091 1.00 64.25 C ATOM 1200 O THR A 84 3.847 14.041 3.219 1.00 4.02 O ATOM 1201 CB THR A 84 1.759 15.891 2.555 1.00 3.21 C ATOM 1202 OG1 THR A 84 0.735 15.130 1.902 1.00 72.43 O ATOM 1203 CG2 THR A 84 1.292 17.326 2.719 1.00 44.11 C ATOM 0 H THR A 84 2.127 15.564 -0.055 1.00 65.14 H new ATOM 0 HA THR A 84 3.723 16.646 2.126 1.00 42.25 H new ATOM 0 HB THR A 84 1.943 15.460 3.539 1.00 3.21 H new ATOM 0 HG1 THR A 84 0.681 15.395 0.960 1.00 72.43 H new ATOM 0 HG21 THR A 84 0.352 17.342 3.270 1.00 44.11 H new ATOM 0 HG22 THR A 84 2.044 17.893 3.268 1.00 44.11 H new ATOM 0 HG23 THR A 84 1.145 17.775 1.737 1.00 44.11 H new ATOM 1211 N VAL A 85 4.676 14.061 1.128 1.00 71.34 N ATOM 1212 CA VAL A 85 5.473 12.865 1.360 1.00 74.24 C ATOM 1213 C VAL A 85 6.773 13.226 2.105 1.00 32.42 C ATOM 1214 O VAL A 85 7.561 14.096 1.679 1.00 24.54 O ATOM 1215 CB VAL A 85 5.781 12.057 0.042 1.00 53.15 C ATOM 1216 CG1 VAL A 85 6.653 12.833 -0.935 1.00 32.54 C ATOM 1217 CG2 VAL A 85 6.407 10.705 0.357 1.00 64.04 C ATOM 0 H VAL A 85 4.774 14.472 0.200 1.00 71.34 H new ATOM 0 HA VAL A 85 4.874 12.203 1.985 1.00 74.24 H new ATOM 0 HB VAL A 85 4.821 11.893 -0.447 1.00 53.15 H new ATOM 0 HG11 VAL A 85 6.832 12.227 -1.823 1.00 32.54 H new ATOM 0 HG12 VAL A 85 6.147 13.755 -1.221 1.00 32.54 H new ATOM 0 HG13 VAL A 85 7.605 13.073 -0.462 1.00 32.54 H new ATOM 0 HG21 VAL A 85 6.608 10.172 -0.572 1.00 64.04 H new ATOM 0 HG22 VAL A 85 7.341 10.854 0.899 1.00 64.04 H new ATOM 0 HG23 VAL A 85 5.721 10.120 0.970 1.00 64.04 H new ATOM 1227 N SER A 86 6.980 12.580 3.213 1.00 70.55 N ATOM 1228 CA SER A 86 8.134 12.826 4.030 1.00 41.34 C ATOM 1229 C SER A 86 9.328 12.065 3.441 1.00 53.13 C ATOM 1230 O SER A 86 9.127 11.180 2.591 1.00 65.54 O ATOM 1231 CB SER A 86 7.804 12.368 5.441 1.00 31.33 C ATOM 1232 OG SER A 86 6.578 12.971 5.857 1.00 31.41 O ATOM 0 H SER A 86 6.352 11.864 3.579 1.00 70.55 H new ATOM 0 HA SER A 86 8.399 13.883 4.057 1.00 41.34 H new ATOM 0 HB2 SER A 86 7.718 11.282 5.473 1.00 31.33 H new ATOM 0 HB3 SER A 86 8.608 12.644 6.123 1.00 31.33 H new ATOM 0 HG SER A 86 6.648 13.239 6.797 1.00 31.41 H new ATOM 1238 N ARG A 87 10.571 12.417 3.837 1.00 0.12 N ATOM 1239 CA ARG A 87 11.739 11.697 3.300 1.00 55.24 C ATOM 1240 C ARG A 87 11.630 10.222 3.681 1.00 34.13 C ATOM 1241 O ARG A 87 11.787 9.331 2.855 1.00 24.40 O ATOM 1242 CB ARG A 87 13.115 12.306 3.743 1.00 51.33 C ATOM 1243 CG ARG A 87 13.614 11.999 5.172 1.00 43.44 C ATOM 1244 CD ARG A 87 12.787 12.636 6.281 1.00 42.44 C ATOM 1245 NE ARG A 87 13.214 12.130 7.594 1.00 34.24 N ATOM 1246 CZ ARG A 87 12.890 12.643 8.789 1.00 70.14 C ATOM 1247 NH1 ARG A 87 12.094 13.710 8.877 1.00 63.51 N ATOM 1248 NH2 ARG A 87 13.353 12.068 9.897 1.00 40.34 N ATOM 0 H ARG A 87 10.784 13.163 4.499 1.00 0.12 H new ATOM 0 HA ARG A 87 11.723 11.805 2.215 1.00 55.24 H new ATOM 0 HB2 ARG A 87 13.875 11.961 3.042 1.00 51.33 H new ATOM 0 HB3 ARG A 87 13.051 13.389 3.636 1.00 51.33 H new ATOM 0 HG2 ARG A 87 13.621 10.919 5.316 1.00 43.44 H new ATOM 0 HG3 ARG A 87 14.645 12.340 5.264 1.00 43.44 H new ATOM 0 HD2 ARG A 87 12.897 13.720 6.249 1.00 42.44 H new ATOM 0 HD3 ARG A 87 11.730 12.418 6.126 1.00 42.44 H new ATOM 0 HE ARG A 87 13.817 11.307 7.595 1.00 34.24 H new ATOM 0 HH11 ARG A 87 11.726 14.143 8.030 1.00 63.51 H new ATOM 0 HH12 ARG A 87 11.853 14.093 9.791 1.00 63.51 H new ATOM 0 HH21 ARG A 87 13.950 11.243 9.832 1.00 40.34 H new ATOM 0 HH22 ARG A 87 13.111 12.452 10.810 1.00 40.34 H new ATOM 1262 N ARG A 88 11.252 10.021 4.912 1.00 25.25 N ATOM 1263 CA ARG A 88 11.016 8.749 5.494 1.00 74.32 C ATOM 1264 C ARG A 88 9.527 8.745 5.677 1.00 53.12 C ATOM 1265 O ARG A 88 9.023 9.547 6.456 1.00 73.14 O ATOM 1266 CB ARG A 88 11.696 8.732 6.866 1.00 22.51 C ATOM 1267 CG ARG A 88 11.753 7.392 7.560 1.00 45.41 C ATOM 1268 CD ARG A 88 12.742 6.473 6.890 1.00 11.04 C ATOM 1269 NE ARG A 88 12.844 5.205 7.587 1.00 72.25 N ATOM 1270 CZ ARG A 88 13.947 4.705 8.142 1.00 43.21 C ATOM 1271 NH1 ARG A 88 15.075 5.399 8.164 1.00 54.11 N ATOM 1272 NH2 ARG A 88 13.893 3.512 8.681 1.00 34.43 N ATOM 0 H ARG A 88 11.094 10.789 5.564 1.00 25.25 H new ATOM 0 HA ARG A 88 11.382 7.903 4.912 1.00 74.32 H new ATOM 0 HB2 ARG A 88 12.715 9.102 6.749 1.00 22.51 H new ATOM 0 HB3 ARG A 88 11.175 9.434 7.517 1.00 22.51 H new ATOM 0 HG2 ARG A 88 12.032 7.532 8.604 1.00 45.41 H new ATOM 0 HG3 ARG A 88 10.764 6.934 7.553 1.00 45.41 H new ATOM 0 HD2 ARG A 88 12.438 6.299 5.858 1.00 11.04 H new ATOM 0 HD3 ARG A 88 13.721 6.951 6.857 1.00 11.04 H new ATOM 0 HE ARG A 88 11.994 4.645 7.659 1.00 72.25 H new ATOM 0 HH11 ARG A 88 15.108 6.331 7.752 1.00 54.11 H new ATOM 0 HH12 ARG A 88 15.910 5.001 8.593 1.00 54.11 H new ATOM 0 HH21 ARG A 88 13.019 2.986 8.670 1.00 34.43 H new ATOM 0 HH22 ARG A 88 14.725 3.109 9.112 1.00 34.43 H new ATOM 1286 N HIS A 89 8.810 7.948 4.940 1.00 62.24 N ATOM 1287 CA HIS A 89 7.381 8.070 5.013 1.00 43.13 C ATOM 1288 C HIS A 89 6.730 6.871 5.690 1.00 53.44 C ATOM 1289 O HIS A 89 6.551 6.866 6.891 1.00 4.41 O ATOM 1290 CB HIS A 89 6.791 8.364 3.625 1.00 62.31 C ATOM 1291 CG HIS A 89 5.384 8.855 3.647 1.00 43.04 C ATOM 1292 ND1 HIS A 89 5.107 10.194 3.594 1.00 14.11 N ATOM 1293 CD2 HIS A 89 4.232 8.162 3.717 1.00 73.25 C ATOM 1294 CE1 HIS A 89 3.799 10.281 3.638 1.00 61.52 C ATOM 1295 NE2 HIS A 89 3.220 9.076 3.716 1.00 21.24 N ATOM 0 H HIS A 89 9.170 7.234 4.306 1.00 62.24 H new ATOM 0 HA HIS A 89 7.151 8.923 5.651 1.00 43.13 H new ATOM 0 HB2 HIS A 89 7.415 9.107 3.128 1.00 62.31 H new ATOM 0 HB3 HIS A 89 6.837 7.456 3.024 1.00 62.31 H new ATOM 0 HD2 HIS A 89 4.129 7.088 3.765 1.00 73.25 H new ATOM 0 HE1 HIS A 89 3.254 11.213 3.614 1.00 61.52 H new ATOM 0 HE2 HIS A 89 2.220 8.881 3.765 1.00 21.24 H new ATOM 1303 N ALA A 90 6.452 5.846 4.955 1.00 42.15 N ATOM 1304 CA ALA A 90 5.753 4.724 5.516 1.00 42.24 C ATOM 1305 C ALA A 90 6.514 3.482 5.258 1.00 25.03 C ATOM 1306 O ALA A 90 6.854 3.184 4.129 1.00 30.00 O ATOM 1307 CB ALA A 90 4.345 4.612 4.945 1.00 20.54 C ATOM 0 H ALA A 90 6.694 5.756 3.968 1.00 42.15 H new ATOM 0 HA ALA A 90 5.665 4.875 6.592 1.00 42.24 H new ATOM 0 HB1 ALA A 90 3.840 3.754 5.388 1.00 20.54 H new ATOM 0 HB2 ALA A 90 3.786 5.520 5.174 1.00 20.54 H new ATOM 0 HB3 ALA A 90 4.400 4.482 3.864 1.00 20.54 H new ATOM 1313 N GLU A 91 6.833 2.779 6.273 1.00 20.34 N ATOM 1314 CA GLU A 91 7.528 1.547 6.070 1.00 52.33 C ATOM 1315 C GLU A 91 6.633 0.379 6.394 1.00 11.33 C ATOM 1316 O GLU A 91 6.034 0.298 7.475 1.00 55.41 O ATOM 1317 CB GLU A 91 8.848 1.511 6.830 1.00 43.24 C ATOM 1318 CG GLU A 91 9.778 2.646 6.422 1.00 52.30 C ATOM 1319 CD GLU A 91 11.138 2.553 7.033 1.00 11.34 C ATOM 1320 OE1 GLU A 91 11.288 2.843 8.234 1.00 44.01 O ATOM 1321 OE2 GLU A 91 12.103 2.230 6.317 1.00 50.42 O ATOM 0 H GLU A 91 6.633 3.020 7.244 1.00 20.34 H new ATOM 0 HA GLU A 91 7.792 1.469 5.015 1.00 52.33 H new ATOM 0 HB2 GLU A 91 8.651 1.572 7.900 1.00 43.24 H new ATOM 0 HB3 GLU A 91 9.342 0.556 6.651 1.00 43.24 H new ATOM 0 HG2 GLU A 91 9.876 2.652 5.336 1.00 52.30 H new ATOM 0 HG3 GLU A 91 9.325 3.596 6.706 1.00 52.30 H new ATOM 1328 N PHE A 92 6.549 -0.513 5.457 1.00 61.42 N ATOM 1329 CA PHE A 92 5.701 -1.668 5.542 1.00 21.41 C ATOM 1330 C PHE A 92 6.564 -2.860 5.860 1.00 31.34 C ATOM 1331 O PHE A 92 7.414 -3.244 5.063 1.00 0.14 O ATOM 1332 CB PHE A 92 4.983 -1.920 4.196 1.00 61.35 C ATOM 1333 CG PHE A 92 4.137 -0.782 3.663 1.00 21.35 C ATOM 1334 CD1 PHE A 92 4.721 0.300 3.016 1.00 4.04 C ATOM 1335 CD2 PHE A 92 2.756 -0.806 3.798 1.00 74.43 C ATOM 1336 CE1 PHE A 92 3.947 1.332 2.524 1.00 21.14 C ATOM 1337 CE2 PHE A 92 1.978 0.225 3.302 1.00 43.53 C ATOM 1338 CZ PHE A 92 2.574 1.295 2.666 1.00 74.33 C ATOM 0 H PHE A 92 7.081 -0.460 4.588 1.00 61.42 H new ATOM 0 HA PHE A 92 4.949 -1.507 6.314 1.00 21.41 H new ATOM 0 HB2 PHE A 92 5.736 -2.166 3.447 1.00 61.35 H new ATOM 0 HB3 PHE A 92 4.346 -2.797 4.307 1.00 61.35 H new ATOM 0 HD1 PHE A 92 5.794 0.334 2.896 1.00 4.04 H new ATOM 0 HD2 PHE A 92 2.283 -1.639 4.296 1.00 74.43 H new ATOM 0 HE1 PHE A 92 4.416 2.169 2.028 1.00 21.14 H new ATOM 0 HE2 PHE A 92 0.904 0.192 3.413 1.00 43.53 H new ATOM 0 HZ PHE A 92 1.968 2.101 2.280 1.00 74.33 H new ATOM 1348 N ARG A 93 6.389 -3.416 7.008 1.00 63.41 N ATOM 1349 CA ARG A 93 7.143 -4.567 7.390 1.00 21.42 C ATOM 1350 C ARG A 93 6.255 -5.769 7.398 1.00 33.03 C ATOM 1351 O ARG A 93 5.236 -5.802 8.092 1.00 15.10 O ATOM 1352 CB ARG A 93 7.812 -4.401 8.761 1.00 51.02 C ATOM 1353 CG ARG A 93 8.855 -3.304 8.809 1.00 31.20 C ATOM 1354 CD ARG A 93 9.604 -3.281 10.135 1.00 74.45 C ATOM 1355 NE ARG A 93 8.722 -3.046 11.296 1.00 52.23 N ATOM 1356 CZ ARG A 93 9.124 -2.508 12.460 1.00 60.11 C ATOM 1357 NH1 ARG A 93 10.388 -2.157 12.632 1.00 33.13 N ATOM 1358 NH2 ARG A 93 8.270 -2.327 13.446 1.00 55.34 N ATOM 0 H ARG A 93 5.723 -3.090 7.709 1.00 63.41 H new ATOM 0 HA ARG A 93 7.940 -4.695 6.657 1.00 21.42 H new ATOM 0 HB2 ARG A 93 7.044 -4.191 9.505 1.00 51.02 H new ATOM 0 HB3 ARG A 93 8.279 -5.345 9.043 1.00 51.02 H new ATOM 0 HG2 ARG A 93 9.566 -3.445 7.995 1.00 31.20 H new ATOM 0 HG3 ARG A 93 8.373 -2.339 8.649 1.00 31.20 H new ATOM 0 HD2 ARG A 93 10.124 -4.230 10.268 1.00 74.45 H new ATOM 0 HD3 ARG A 93 10.366 -2.502 10.102 1.00 74.45 H new ATOM 0 HE ARG A 93 7.741 -3.310 11.208 1.00 52.23 H new ATOM 0 HH11 ARG A 93 11.062 -2.294 11.879 1.00 33.13 H new ATOM 0 HH12 ARG A 93 10.688 -1.749 13.517 1.00 33.13 H new ATOM 0 HH21 ARG A 93 7.293 -2.596 13.330 1.00 55.34 H new ATOM 0 HH22 ARG A 93 8.586 -1.918 14.325 1.00 55.34 H new ATOM 1372 N ILE A 94 6.622 -6.735 6.645 1.00 74.32 N ATOM 1373 CA ILE A 94 5.915 -7.954 6.631 1.00 55.34 C ATOM 1374 C ILE A 94 6.848 -9.006 7.162 1.00 12.43 C ATOM 1375 O ILE A 94 7.951 -9.226 6.652 1.00 42.23 O ATOM 1376 CB ILE A 94 5.294 -8.306 5.200 1.00 65.54 C ATOM 1377 CG1 ILE A 94 4.414 -9.593 5.199 1.00 72.00 C ATOM 1378 CG2 ILE A 94 6.333 -8.370 4.094 1.00 72.03 C ATOM 1379 CD1 ILE A 94 5.140 -10.924 5.378 1.00 51.21 C ATOM 0 H ILE A 94 7.426 -6.701 6.018 1.00 74.32 H new ATOM 0 HA ILE A 94 5.034 -7.888 7.269 1.00 55.34 H new ATOM 0 HB ILE A 94 4.634 -7.465 4.984 1.00 65.54 H new ATOM 0 HG12 ILE A 94 3.675 -9.500 5.995 1.00 72.00 H new ATOM 0 HG13 ILE A 94 3.866 -9.629 4.257 1.00 72.00 H new ATOM 0 HG21 ILE A 94 5.845 -8.613 3.150 1.00 72.03 H new ATOM 0 HG22 ILE A 94 6.832 -7.405 4.007 1.00 72.03 H new ATOM 0 HG23 ILE A 94 7.069 -9.138 4.330 1.00 72.03 H new ATOM 0 HD11 ILE A 94 4.416 -11.739 5.359 1.00 51.21 H new ATOM 0 HD12 ILE A 94 5.859 -11.058 4.569 1.00 51.21 H new ATOM 0 HD13 ILE A 94 5.664 -10.927 6.334 1.00 51.21 H new ATOM 1391 N ASN A 95 6.446 -9.544 8.249 1.00 53.23 N ATOM 1392 CA ASN A 95 7.127 -10.580 8.930 1.00 74.14 C ATOM 1393 C ASN A 95 6.219 -11.749 8.938 1.00 62.10 C ATOM 1394 O ASN A 95 5.008 -11.576 8.983 1.00 44.32 O ATOM 1395 CB ASN A 95 7.474 -10.147 10.359 1.00 52.33 C ATOM 1396 CG ASN A 95 8.652 -9.195 10.419 1.00 43.44 C ATOM 1397 OD1 ASN A 95 8.506 -7.983 10.244 1.00 44.40 O ATOM 1398 ND2 ASN A 95 9.814 -9.724 10.713 1.00 54.03 N ATOM 0 H ASN A 95 5.585 -9.259 8.715 1.00 53.23 H new ATOM 0 HA ASN A 95 8.068 -10.824 8.436 1.00 74.14 H new ATOM 0 HB2 ASN A 95 6.604 -9.669 10.809 1.00 52.33 H new ATOM 0 HB3 ASN A 95 7.697 -11.031 10.957 1.00 52.33 H new ATOM 0 HD21 ASN A 95 10.637 -9.128 10.804 1.00 54.03 H new ATOM 0 HD22 ASN A 95 9.896 -10.731 10.851 1.00 54.03 H new ATOM 1405 N GLU A 96 6.775 -12.933 8.862 1.00 2.52 N ATOM 1406 CA GLU A 96 5.987 -14.169 8.801 1.00 24.42 C ATOM 1407 C GLU A 96 5.013 -14.307 9.996 1.00 72.23 C ATOM 1408 O GLU A 96 4.008 -15.021 9.912 1.00 12.32 O ATOM 1409 CB GLU A 96 6.916 -15.382 8.699 1.00 15.30 C ATOM 1410 CG GLU A 96 7.906 -15.493 9.846 1.00 44.52 C ATOM 1411 CD GLU A 96 8.786 -16.700 9.747 1.00 14.34 C ATOM 1412 OE1 GLU A 96 8.358 -17.796 10.138 1.00 0.23 O ATOM 1413 OE2 GLU A 96 9.933 -16.585 9.279 1.00 44.51 O ATOM 0 H GLU A 96 7.784 -13.082 8.840 1.00 2.52 H new ATOM 0 HA GLU A 96 5.369 -14.122 7.904 1.00 24.42 H new ATOM 0 HB2 GLU A 96 6.312 -16.289 8.663 1.00 15.30 H new ATOM 0 HB3 GLU A 96 7.467 -15.329 7.760 1.00 15.30 H new ATOM 0 HG2 GLU A 96 8.528 -14.598 9.869 1.00 44.52 H new ATOM 0 HG3 GLU A 96 7.359 -15.526 10.788 1.00 44.52 H new ATOM 1420 N GLY A 97 5.315 -13.608 11.080 1.00 53.25 N ATOM 1421 CA GLY A 97 4.470 -13.639 12.240 1.00 55.10 C ATOM 1422 C GLY A 97 3.475 -12.475 12.306 1.00 60.12 C ATOM 1423 O GLY A 97 2.358 -12.656 12.785 1.00 33.24 O ATOM 0 H GLY A 97 6.141 -13.016 11.170 1.00 53.25 H new ATOM 0 HA2 GLY A 97 3.918 -14.579 12.252 1.00 55.10 H new ATOM 0 HA3 GLY A 97 5.094 -13.624 13.134 1.00 55.10 H new ATOM 1427 N GLU A 98 3.869 -11.297 11.810 1.00 10.21 N ATOM 1428 CA GLU A 98 3.037 -10.085 11.889 1.00 4.44 C ATOM 1429 C GLU A 98 3.261 -9.171 10.695 1.00 32.14 C ATOM 1430 O GLU A 98 4.378 -9.033 10.194 1.00 31.20 O ATOM 1431 CB GLU A 98 3.333 -9.284 13.168 1.00 73.52 C ATOM 1432 CG GLU A 98 2.732 -9.837 14.453 1.00 20.32 C ATOM 1433 CD GLU A 98 1.243 -9.558 14.595 1.00 53.45 C ATOM 1434 OE1 GLU A 98 0.426 -10.159 13.863 1.00 3.21 O ATOM 1435 OE2 GLU A 98 0.862 -8.744 15.473 1.00 0.53 O ATOM 0 H GLU A 98 4.766 -11.154 11.345 1.00 10.21 H new ATOM 0 HA GLU A 98 2.002 -10.427 11.897 1.00 4.44 H new ATOM 0 HB2 GLU A 98 4.414 -9.222 13.293 1.00 73.52 H new ATOM 0 HB3 GLU A 98 2.969 -8.266 13.028 1.00 73.52 H new ATOM 0 HG2 GLU A 98 2.897 -10.914 14.488 1.00 20.32 H new ATOM 0 HG3 GLU A 98 3.257 -9.406 15.305 1.00 20.32 H new ATOM 1442 N PHE A 99 2.209 -8.545 10.275 1.00 13.13 N ATOM 1443 CA PHE A 99 2.227 -7.578 9.191 1.00 24.22 C ATOM 1444 C PHE A 99 2.064 -6.202 9.820 1.00 10.12 C ATOM 1445 O PHE A 99 1.026 -5.916 10.382 1.00 0.40 O ATOM 1446 CB PHE A 99 1.037 -7.817 8.237 1.00 74.30 C ATOM 1447 CG PHE A 99 1.068 -9.067 7.387 1.00 4.00 C ATOM 1448 CD1 PHE A 99 1.135 -10.332 7.950 1.00 14.04 C ATOM 1449 CD2 PHE A 99 1.008 -8.962 6.007 1.00 33.21 C ATOM 1450 CE1 PHE A 99 1.147 -11.459 7.153 1.00 73.52 C ATOM 1451 CE2 PHE A 99 1.012 -10.088 5.207 1.00 52.34 C ATOM 1452 CZ PHE A 99 1.083 -11.338 5.782 1.00 41.31 C ATOM 0 H PHE A 99 1.283 -8.686 10.678 1.00 13.13 H new ATOM 0 HA PHE A 99 3.155 -7.665 8.626 1.00 24.22 H new ATOM 0 HB2 PHE A 99 0.125 -7.838 8.834 1.00 74.30 H new ATOM 0 HB3 PHE A 99 0.962 -6.958 7.570 1.00 74.30 H new ATOM 0 HD1 PHE A 99 1.178 -10.437 9.024 1.00 14.04 H new ATOM 0 HD2 PHE A 99 0.957 -7.985 5.550 1.00 33.21 H new ATOM 0 HE1 PHE A 99 1.207 -12.438 7.605 1.00 73.52 H new ATOM 0 HE2 PHE A 99 0.960 -9.989 4.133 1.00 52.34 H new ATOM 0 HZ PHE A 99 1.088 -12.221 5.160 1.00 41.31 H new ATOM 1462 N GLU A 100 3.050 -5.356 9.744 1.00 40.10 N ATOM 1463 CA GLU A 100 2.948 -4.066 10.399 1.00 31.42 C ATOM 1464 C GLU A 100 3.363 -2.926 9.477 1.00 63.14 C ATOM 1465 O GLU A 100 4.364 -3.014 8.783 1.00 54.34 O ATOM 1466 CB GLU A 100 3.777 -4.060 11.685 1.00 53.34 C ATOM 1467 CG GLU A 100 3.667 -2.782 12.499 1.00 22.21 C ATOM 1468 CD GLU A 100 4.499 -2.830 13.746 1.00 33.41 C ATOM 1469 OE1 GLU A 100 5.701 -2.535 13.688 1.00 24.35 O ATOM 1470 OE2 GLU A 100 3.981 -3.182 14.812 1.00 55.15 O ATOM 0 H GLU A 100 3.924 -5.523 9.246 1.00 40.10 H new ATOM 0 HA GLU A 100 1.901 -3.903 10.655 1.00 31.42 H new ATOM 0 HB2 GLU A 100 3.466 -4.900 12.307 1.00 53.34 H new ATOM 0 HB3 GLU A 100 4.824 -4.224 11.428 1.00 53.34 H new ATOM 0 HG2 GLU A 100 3.981 -1.936 11.888 1.00 22.21 H new ATOM 0 HG3 GLU A 100 2.624 -2.613 12.767 1.00 22.21 H new ATOM 1477 N VAL A 101 2.591 -1.874 9.466 1.00 60.11 N ATOM 1478 CA VAL A 101 2.912 -0.702 8.706 1.00 72.13 C ATOM 1479 C VAL A 101 3.172 0.454 9.661 1.00 53.13 C ATOM 1480 O VAL A 101 2.317 0.818 10.475 1.00 62.10 O ATOM 1481 CB VAL A 101 1.820 -0.334 7.632 1.00 44.30 C ATOM 1482 CG1 VAL A 101 0.422 -0.215 8.237 1.00 31.54 C ATOM 1483 CG2 VAL A 101 2.191 0.951 6.899 1.00 53.12 C ATOM 0 H VAL A 101 1.717 -1.808 9.988 1.00 60.11 H new ATOM 0 HA VAL A 101 3.813 -0.914 8.131 1.00 72.13 H new ATOM 0 HB VAL A 101 1.794 -1.156 6.917 1.00 44.30 H new ATOM 0 HG11 VAL A 101 -0.293 0.040 7.454 1.00 31.54 H new ATOM 0 HG12 VAL A 101 0.140 -1.165 8.691 1.00 31.54 H new ATOM 0 HG13 VAL A 101 0.420 0.565 8.998 1.00 31.54 H new ATOM 0 HG21 VAL A 101 1.422 1.185 6.163 1.00 53.12 H new ATOM 0 HG22 VAL A 101 2.268 1.769 7.615 1.00 53.12 H new ATOM 0 HG23 VAL A 101 3.148 0.819 6.395 1.00 53.12 H new ATOM 1493 N VAL A 102 4.357 0.985 9.603 1.00 60.14 N ATOM 1494 CA VAL A 102 4.724 2.079 10.454 1.00 1.02 C ATOM 1495 C VAL A 102 4.875 3.307 9.600 1.00 52.33 C ATOM 1496 O VAL A 102 5.767 3.373 8.746 1.00 2.23 O ATOM 1497 CB VAL A 102 6.069 1.806 11.191 1.00 44.30 C ATOM 1498 CG1 VAL A 102 6.419 2.951 12.139 1.00 43.11 C ATOM 1499 CG2 VAL A 102 6.026 0.484 11.942 1.00 21.43 C ATOM 0 H VAL A 102 5.093 0.675 8.969 1.00 60.14 H new ATOM 0 HA VAL A 102 3.948 2.212 11.208 1.00 1.02 H new ATOM 0 HB VAL A 102 6.851 1.740 10.434 1.00 44.30 H new ATOM 0 HG11 VAL A 102 7.362 2.733 12.640 1.00 43.11 H new ATOM 0 HG12 VAL A 102 6.514 3.877 11.572 1.00 43.11 H new ATOM 0 HG13 VAL A 102 5.630 3.061 12.883 1.00 43.11 H new ATOM 0 HG21 VAL A 102 6.978 0.321 12.446 1.00 21.43 H new ATOM 0 HG22 VAL A 102 5.224 0.511 12.680 1.00 21.43 H new ATOM 0 HG23 VAL A 102 5.844 -0.328 11.238 1.00 21.43 H new ATOM 1509 N ASP A 103 4.024 4.256 9.804 1.00 62.33 N ATOM 1510 CA ASP A 103 4.090 5.477 9.052 1.00 63.35 C ATOM 1511 C ASP A 103 4.631 6.578 9.891 1.00 2.43 C ATOM 1512 O ASP A 103 4.197 6.790 11.024 1.00 1.23 O ATOM 1513 CB ASP A 103 2.737 5.867 8.476 1.00 20.53 C ATOM 1514 CG ASP A 103 2.758 7.223 7.773 1.00 15.24 C ATOM 1515 OD1 ASP A 103 3.151 7.287 6.609 1.00 23.32 O ATOM 1516 OD2 ASP A 103 2.335 8.230 8.379 1.00 62.43 O ATOM 0 H ASP A 103 3.268 4.215 10.488 1.00 62.33 H new ATOM 0 HA ASP A 103 4.765 5.304 8.214 1.00 63.35 H new ATOM 0 HB2 ASP A 103 2.415 5.102 7.769 1.00 20.53 H new ATOM 0 HB3 ASP A 103 2.000 5.891 9.278 1.00 20.53 H new ATOM 1521 N VAL A 104 5.625 7.214 9.380 1.00 62.24 N ATOM 1522 CA VAL A 104 6.198 8.376 10.010 1.00 42.32 C ATOM 1523 C VAL A 104 6.013 9.594 9.101 1.00 50.53 C ATOM 1524 O VAL A 104 6.580 10.672 9.345 1.00 32.32 O ATOM 1525 CB VAL A 104 7.703 8.185 10.395 1.00 54.34 C ATOM 1526 CG1 VAL A 104 7.862 7.104 11.456 1.00 42.42 C ATOM 1527 CG2 VAL A 104 8.548 7.848 9.185 1.00 22.34 C ATOM 0 H VAL A 104 6.076 6.949 8.504 1.00 62.24 H new ATOM 0 HA VAL A 104 5.668 8.535 10.949 1.00 42.32 H new ATOM 0 HB VAL A 104 8.053 9.133 10.803 1.00 54.34 H new ATOM 0 HG11 VAL A 104 8.917 6.991 11.705 1.00 42.42 H new ATOM 0 HG12 VAL A 104 7.306 7.387 12.350 1.00 42.42 H new ATOM 0 HG13 VAL A 104 7.477 6.159 11.073 1.00 42.42 H new ATOM 0 HG21 VAL A 104 9.587 7.723 9.490 1.00 22.34 H new ATOM 0 HG22 VAL A 104 8.187 6.923 8.736 1.00 22.34 H new ATOM 0 HG23 VAL A 104 8.479 8.656 8.457 1.00 22.34 H new ATOM 1537 N GLY A 105 5.177 9.432 8.094 1.00 1.41 N ATOM 1538 CA GLY A 105 4.886 10.486 7.162 1.00 60.14 C ATOM 1539 C GLY A 105 3.565 11.133 7.489 1.00 13.50 C ATOM 1540 O GLY A 105 2.688 11.302 6.618 1.00 53.11 O ATOM 0 H GLY A 105 4.683 8.560 7.905 1.00 1.41 H new ATOM 0 HA2 GLY A 105 5.680 11.233 7.190 1.00 60.14 H new ATOM 0 HA3 GLY A 105 4.860 10.086 6.148 1.00 60.14 H new ATOM 1544 N SER A 106 3.444 11.538 8.739 1.00 71.31 N ATOM 1545 CA SER A 106 2.248 12.122 9.317 1.00 62.50 C ATOM 1546 C SER A 106 1.834 13.435 8.610 1.00 74.04 C ATOM 1547 O SER A 106 0.689 13.893 8.755 1.00 24.52 O ATOM 1548 CB SER A 106 2.515 12.367 10.790 1.00 12.42 C ATOM 1549 OG SER A 106 3.196 11.246 11.364 1.00 31.11 O ATOM 0 H SER A 106 4.210 11.466 9.409 1.00 71.31 H new ATOM 0 HA SER A 106 1.415 11.431 9.185 1.00 62.50 H new ATOM 0 HB2 SER A 106 3.116 13.268 10.913 1.00 12.42 H new ATOM 0 HB3 SER A 106 1.574 12.537 11.314 1.00 12.42 H new ATOM 0 HG SER A 106 2.569 10.500 11.466 1.00 31.11 H new ATOM 1555 N LEU A 107 2.770 14.034 7.850 1.00 44.53 N ATOM 1556 CA LEU A 107 2.483 15.220 7.034 1.00 24.15 C ATOM 1557 C LEU A 107 1.369 14.900 6.054 1.00 43.14 C ATOM 1558 O LEU A 107 0.478 15.710 5.801 1.00 15.11 O ATOM 1559 CB LEU A 107 3.723 15.645 6.243 1.00 74.21 C ATOM 1560 CG LEU A 107 4.907 16.214 7.033 1.00 11.33 C ATOM 1561 CD1 LEU A 107 6.064 16.532 6.100 1.00 10.52 C ATOM 1562 CD2 LEU A 107 4.496 17.458 7.801 1.00 14.22 C ATOM 0 H LEU A 107 3.735 13.711 7.787 1.00 44.53 H new ATOM 0 HA LEU A 107 2.186 16.032 7.698 1.00 24.15 H new ATOM 0 HB2 LEU A 107 4.077 14.780 5.683 1.00 74.21 H new ATOM 0 HB3 LEU A 107 3.416 16.393 5.513 1.00 74.21 H new ATOM 0 HG LEU A 107 5.231 15.459 7.749 1.00 11.33 H new ATOM 0 HD11 LEU A 107 6.896 16.935 6.677 1.00 10.52 H new ATOM 0 HD12 LEU A 107 6.382 15.622 5.591 1.00 10.52 H new ATOM 0 HD13 LEU A 107 5.744 17.267 5.362 1.00 10.52 H new ATOM 0 HD21 LEU A 107 5.352 17.844 8.354 1.00 14.22 H new ATOM 0 HD22 LEU A 107 4.143 18.217 7.103 1.00 14.22 H new ATOM 0 HD23 LEU A 107 3.697 17.207 8.499 1.00 14.22 H new ATOM 1574 N ASN A 108 1.431 13.717 5.518 1.00 15.15 N ATOM 1575 CA ASN A 108 0.426 13.219 4.620 1.00 72.30 C ATOM 1576 C ASN A 108 -0.601 12.508 5.469 1.00 5.31 C ATOM 1577 O ASN A 108 -1.802 12.814 5.420 1.00 73.53 O ATOM 1578 CB ASN A 108 1.088 12.288 3.606 1.00 21.21 C ATOM 1579 CG ASN A 108 0.175 11.751 2.531 1.00 32.43 C ATOM 1580 OD1 ASN A 108 -0.338 10.659 2.641 1.00 52.23 O ATOM 1581 ND2 ASN A 108 -0.028 12.518 1.494 1.00 62.21 N ATOM 0 H ASN A 108 2.191 13.060 5.693 1.00 15.15 H new ATOM 0 HA ASN A 108 -0.063 14.012 4.054 1.00 72.30 H new ATOM 0 HB2 ASN A 108 1.909 12.823 3.128 1.00 21.21 H new ATOM 0 HB3 ASN A 108 1.525 11.446 4.142 1.00 21.21 H new ATOM 0 HD21 ASN A 108 -0.637 12.204 0.739 1.00 62.21 H new ATOM 0 HD22 ASN A 108 0.423 13.431 1.439 1.00 62.21 H new ATOM 1588 N GLY A 109 -0.101 11.648 6.338 1.00 45.00 N ATOM 1589 CA GLY A 109 -0.935 10.963 7.294 1.00 13.45 C ATOM 1590 C GLY A 109 -1.467 9.648 6.807 1.00 14.24 C ATOM 1591 O GLY A 109 -2.504 9.601 6.138 1.00 53.04 O ATOM 0 H GLY A 109 0.889 11.410 6.397 1.00 45.00 H new ATOM 0 HA2 GLY A 109 -0.363 10.796 8.207 1.00 13.45 H new ATOM 0 HA3 GLY A 109 -1.774 11.608 7.557 1.00 13.45 H new ATOM 1595 N THR A 110 -0.773 8.593 7.122 1.00 61.30 N ATOM 1596 CA THR A 110 -1.228 7.271 6.795 1.00 71.05 C ATOM 1597 C THR A 110 -2.007 6.690 7.996 1.00 21.25 C ATOM 1598 O THR A 110 -1.480 6.600 9.107 1.00 21.23 O ATOM 1599 CB THR A 110 -0.032 6.379 6.450 1.00 43.24 C ATOM 1600 OG1 THR A 110 0.750 7.001 5.400 1.00 70.40 O ATOM 1601 CG2 THR A 110 -0.473 4.989 6.015 1.00 43.10 C ATOM 0 H THR A 110 0.122 8.623 7.611 1.00 61.30 H new ATOM 0 HA THR A 110 -1.888 7.313 5.928 1.00 71.05 H new ATOM 0 HB THR A 110 0.576 6.267 7.348 1.00 43.24 H new ATOM 0 HG1 THR A 110 1.694 7.016 5.661 1.00 70.40 H new ATOM 0 HG21 THR A 110 0.404 4.386 5.779 1.00 43.10 H new ATOM 0 HG22 THR A 110 -1.032 4.515 6.822 1.00 43.10 H new ATOM 0 HG23 THR A 110 -1.107 5.068 5.132 1.00 43.10 H new ATOM 1609 N TYR A 111 -3.263 6.363 7.768 1.00 25.32 N ATOM 1610 CA TYR A 111 -4.137 5.794 8.788 1.00 15.51 C ATOM 1611 C TYR A 111 -4.896 4.643 8.162 1.00 35.23 C ATOM 1612 O TYR A 111 -4.884 4.484 6.945 1.00 33.45 O ATOM 1613 CB TYR A 111 -5.149 6.838 9.298 1.00 61.10 C ATOM 1614 CG TYR A 111 -4.536 8.097 9.878 1.00 45.40 C ATOM 1615 CD1 TYR A 111 -4.096 8.144 11.196 1.00 65.53 C ATOM 1616 CD2 TYR A 111 -4.408 9.243 9.106 1.00 13.21 C ATOM 1617 CE1 TYR A 111 -3.547 9.299 11.723 1.00 44.33 C ATOM 1618 CE2 TYR A 111 -3.859 10.395 9.623 1.00 14.01 C ATOM 1619 CZ TYR A 111 -3.431 10.421 10.930 1.00 14.01 C ATOM 1620 OH TYR A 111 -2.884 11.580 11.445 1.00 4.00 O ATOM 0 H TYR A 111 -3.715 6.484 6.862 1.00 25.32 H new ATOM 0 HA TYR A 111 -3.533 5.462 9.632 1.00 15.51 H new ATOM 0 HB2 TYR A 111 -5.805 7.118 8.474 1.00 61.10 H new ATOM 0 HB3 TYR A 111 -5.775 6.373 10.060 1.00 61.10 H new ATOM 0 HD1 TYR A 111 -4.184 7.265 11.818 1.00 65.53 H new ATOM 0 HD2 TYR A 111 -4.745 9.231 8.080 1.00 13.21 H new ATOM 0 HE1 TYR A 111 -3.211 9.322 12.749 1.00 44.33 H new ATOM 0 HE2 TYR A 111 -3.765 11.275 9.004 1.00 14.01 H new ATOM 0 HH TYR A 111 -2.876 12.274 10.753 1.00 4.00 H new ATOM 1630 N VAL A 112 -5.562 3.859 8.956 1.00 24.24 N ATOM 1631 CA VAL A 112 -6.307 2.745 8.446 1.00 34.42 C ATOM 1632 C VAL A 112 -7.787 3.092 8.532 1.00 42.41 C ATOM 1633 O VAL A 112 -8.204 3.752 9.475 1.00 42.01 O ATOM 1634 CB VAL A 112 -5.994 1.444 9.257 1.00 0.43 C ATOM 1635 CG1 VAL A 112 -6.733 0.233 8.699 1.00 72.42 C ATOM 1636 CG2 VAL A 112 -4.497 1.175 9.281 1.00 12.00 C ATOM 0 H VAL A 112 -5.605 3.971 9.969 1.00 24.24 H new ATOM 0 HA VAL A 112 -6.026 2.552 7.411 1.00 34.42 H new ATOM 0 HB VAL A 112 -6.345 1.608 10.276 1.00 0.43 H new ATOM 0 HG11 VAL A 112 -6.487 -0.648 9.292 1.00 72.42 H new ATOM 0 HG12 VAL A 112 -7.808 0.411 8.742 1.00 72.42 H new ATOM 0 HG13 VAL A 112 -6.434 0.069 7.664 1.00 72.42 H new ATOM 0 HG21 VAL A 112 -4.300 0.266 9.850 1.00 12.00 H new ATOM 0 HG22 VAL A 112 -4.133 1.051 8.261 1.00 12.00 H new ATOM 0 HG23 VAL A 112 -3.984 2.015 9.750 1.00 12.00 H new ATOM 1646 N ASN A 113 -8.551 2.696 7.538 1.00 30.42 N ATOM 1647 CA ASN A 113 -10.005 2.929 7.476 1.00 51.45 C ATOM 1648 C ASN A 113 -10.701 2.468 8.751 1.00 11.33 C ATOM 1649 O ASN A 113 -11.621 3.126 9.248 1.00 53.12 O ATOM 1650 CB ASN A 113 -10.588 2.236 6.227 1.00 22.50 C ATOM 1651 CG ASN A 113 -12.094 2.042 6.253 1.00 74.33 C ATOM 1652 OD1 ASN A 113 -12.859 2.928 5.862 1.00 40.15 O ATOM 1653 ND2 ASN A 113 -12.524 0.865 6.642 1.00 22.21 N ATOM 0 H ASN A 113 -8.188 2.193 6.729 1.00 30.42 H new ATOM 0 HA ASN A 113 -10.184 4.001 7.395 1.00 51.45 H new ATOM 0 HB2 ASN A 113 -10.326 2.824 5.347 1.00 22.50 H new ATOM 0 HB3 ASN A 113 -10.112 1.262 6.113 1.00 22.50 H new ATOM 0 HD21 ASN A 113 -13.522 0.656 6.628 1.00 22.21 H new ATOM 0 HD22 ASN A 113 -11.860 0.159 6.959 1.00 22.21 H new ATOM 1660 N ARG A 114 -10.245 1.373 9.288 1.00 24.35 N ATOM 1661 CA ARG A 114 -10.769 0.876 10.533 1.00 25.24 C ATOM 1662 C ARG A 114 -10.093 1.551 11.732 1.00 25.01 C ATOM 1663 O ARG A 114 -10.746 1.880 12.725 1.00 73.10 O ATOM 1664 CB ARG A 114 -10.595 -0.646 10.630 1.00 72.31 C ATOM 1665 CG ARG A 114 -11.008 -1.212 11.980 1.00 2.22 C ATOM 1666 CD ARG A 114 -10.834 -2.712 12.063 1.00 62.40 C ATOM 1667 NE ARG A 114 -11.020 -3.174 13.441 1.00 44.20 N ATOM 1668 CZ ARG A 114 -11.378 -4.401 13.818 1.00 63.24 C ATOM 1669 NH1 ARG A 114 -11.691 -5.321 12.916 1.00 10.41 N ATOM 1670 NH2 ARG A 114 -11.439 -4.696 15.113 1.00 63.42 N ATOM 0 H ARG A 114 -9.505 0.801 8.881 1.00 24.35 H new ATOM 0 HA ARG A 114 -11.832 1.114 10.556 1.00 25.24 H new ATOM 0 HB2 ARG A 114 -11.185 -1.123 9.847 1.00 72.31 H new ATOM 0 HB3 ARG A 114 -9.552 -0.899 10.441 1.00 72.31 H new ATOM 0 HG2 ARG A 114 -10.417 -0.738 12.764 1.00 2.22 H new ATOM 0 HG3 ARG A 114 -12.051 -0.960 12.171 1.00 2.22 H new ATOM 0 HD2 ARG A 114 -11.553 -3.204 11.408 1.00 62.40 H new ATOM 0 HD3 ARG A 114 -9.840 -2.989 11.711 1.00 62.40 H new ATOM 0 HE ARG A 114 -10.860 -2.492 14.182 1.00 44.20 H new ATOM 0 HH11 ARG A 114 -11.659 -5.093 11.922 1.00 10.41 H new ATOM 0 HH12 ARG A 114 -11.964 -6.257 13.216 1.00 10.41 H new ATOM 0 HH21 ARG A 114 -11.213 -3.986 15.809 1.00 63.42 H new ATOM 0 HH22 ARG A 114 -11.712 -5.633 15.410 1.00 63.42 H new ATOM 1684 N GLU A 115 -8.821 1.824 11.615 1.00 72.15 N ATOM 1685 CA GLU A 115 -8.051 2.238 12.756 1.00 2.12 C ATOM 1686 C GLU A 115 -7.352 3.586 12.524 1.00 60.03 C ATOM 1687 O GLU A 115 -6.441 3.690 11.697 1.00 13.43 O ATOM 1688 CB GLU A 115 -7.044 1.143 13.072 1.00 33.21 C ATOM 1689 CG GLU A 115 -6.294 1.339 14.355 1.00 55.01 C ATOM 1690 CD GLU A 115 -7.200 1.427 15.536 1.00 44.23 C ATOM 1691 OE1 GLU A 115 -8.054 0.553 15.719 1.00 64.53 O ATOM 1692 OE2 GLU A 115 -7.042 2.341 16.324 1.00 31.11 O ATOM 0 H GLU A 115 -8.297 1.767 10.742 1.00 72.15 H new ATOM 0 HA GLU A 115 -8.720 2.388 13.604 1.00 2.12 H new ATOM 0 HB2 GLU A 115 -7.567 0.187 13.114 1.00 33.21 H new ATOM 0 HB3 GLU A 115 -6.327 1.079 12.253 1.00 33.21 H new ATOM 0 HG2 GLU A 115 -5.598 0.512 14.496 1.00 55.01 H new ATOM 0 HG3 GLU A 115 -5.698 2.249 14.289 1.00 55.01 H new ATOM 1699 N PRO A 116 -7.748 4.624 13.278 1.00 31.32 N ATOM 1700 CA PRO A 116 -7.192 5.987 13.143 1.00 20.25 C ATOM 1701 C PRO A 116 -5.813 6.153 13.824 1.00 63.33 C ATOM 1702 O PRO A 116 -5.494 7.212 14.382 1.00 34.45 O ATOM 1703 CB PRO A 116 -8.247 6.844 13.845 1.00 3.21 C ATOM 1704 CG PRO A 116 -8.819 5.960 14.897 1.00 12.13 C ATOM 1705 CD PRO A 116 -8.782 4.563 14.342 1.00 21.14 C ATOM 0 HA PRO A 116 -7.009 6.254 12.102 1.00 20.25 H new ATOM 0 HB2 PRO A 116 -7.803 7.740 14.280 1.00 3.21 H new ATOM 0 HB3 PRO A 116 -9.015 7.176 13.147 1.00 3.21 H new ATOM 0 HG2 PRO A 116 -8.240 6.028 15.818 1.00 12.13 H new ATOM 0 HG3 PRO A 116 -9.840 6.255 15.140 1.00 12.13 H new ATOM 0 HD2 PRO A 116 -8.521 3.835 15.110 1.00 21.14 H new ATOM 0 HD3 PRO A 116 -9.751 4.268 13.940 1.00 21.14 H new ATOM 1713 N ARG A 117 -4.991 5.143 13.716 1.00 30.04 N ATOM 1714 CA ARG A 117 -3.662 5.166 14.281 1.00 23.44 C ATOM 1715 C ARG A 117 -2.633 5.247 13.189 1.00 25.33 C ATOM 1716 O ARG A 117 -2.826 4.687 12.116 1.00 3.13 O ATOM 1717 CB ARG A 117 -3.403 4.006 15.255 1.00 54.42 C ATOM 1718 CG ARG A 117 -4.012 4.253 16.628 1.00 44.22 C ATOM 1719 CD ARG A 117 -3.732 3.123 17.618 1.00 71.04 C ATOM 1720 NE ARG A 117 -4.615 1.972 17.418 1.00 12.51 N ATOM 1721 CZ ARG A 117 -4.384 0.720 17.842 1.00 21.13 C ATOM 1722 NH1 ARG A 117 -3.255 0.419 18.473 1.00 23.21 N ATOM 1723 NH2 ARG A 117 -5.306 -0.228 17.649 1.00 41.53 N ATOM 0 H ARG A 117 -5.223 4.276 13.232 1.00 30.04 H new ATOM 0 HA ARG A 117 -3.578 6.067 14.889 1.00 23.44 H new ATOM 0 HB2 ARG A 117 -3.815 3.087 14.838 1.00 54.42 H new ATOM 0 HB3 ARG A 117 -2.328 3.856 15.359 1.00 54.42 H new ATOM 0 HG2 ARG A 117 -3.620 5.187 17.031 1.00 44.22 H new ATOM 0 HG3 ARG A 117 -5.090 4.379 16.524 1.00 44.22 H new ATOM 0 HD2 ARG A 117 -2.695 2.803 17.516 1.00 71.04 H new ATOM 0 HD3 ARG A 117 -3.852 3.497 18.635 1.00 71.04 H new ATOM 0 HE ARG A 117 -5.484 2.137 16.910 1.00 12.51 H new ATOM 0 HH11 ARG A 117 -2.555 1.142 18.639 1.00 23.21 H new ATOM 0 HH12 ARG A 117 -3.088 -0.535 18.792 1.00 23.21 H new ATOM 0 HH21 ARG A 117 -6.183 0.001 17.180 1.00 41.53 H new ATOM 0 HH22 ARG A 117 -5.133 -1.181 17.970 1.00 41.53 H new ATOM 1737 N ASN A 118 -1.552 5.956 13.468 1.00 70.25 N ATOM 1738 CA ASN A 118 -0.537 6.264 12.464 1.00 54.22 C ATOM 1739 C ASN A 118 0.267 5.010 12.092 1.00 31.01 C ATOM 1740 O ASN A 118 0.640 4.824 10.938 1.00 11.32 O ATOM 1741 CB ASN A 118 0.394 7.374 12.972 1.00 12.12 C ATOM 1742 CG ASN A 118 1.082 8.175 11.860 1.00 41.42 C ATOM 1743 OD1 ASN A 118 1.449 9.333 12.062 1.00 23.31 O ATOM 1744 ND2 ASN A 118 1.198 7.616 10.698 1.00 21.03 N ATOM 0 H ASN A 118 -1.350 6.335 14.393 1.00 70.25 H new ATOM 0 HA ASN A 118 -1.041 6.617 11.565 1.00 54.22 H new ATOM 0 HB2 ASN A 118 -0.182 8.059 13.595 1.00 12.12 H new ATOM 0 HB3 ASN A 118 1.158 6.929 13.610 1.00 12.12 H new ATOM 0 HD21 ASN A 118 1.602 8.137 9.920 1.00 21.03 H new ATOM 0 HD22 ASN A 118 0.885 6.655 10.561 1.00 21.03 H new ATOM 1751 N ALA A 119 0.565 4.175 13.066 1.00 61.02 N ATOM 1752 CA ALA A 119 1.193 2.917 12.761 1.00 31.50 C ATOM 1753 C ALA A 119 0.223 1.835 13.140 1.00 25.13 C ATOM 1754 O ALA A 119 -0.414 1.915 14.196 1.00 53.54 O ATOM 1755 CB ALA A 119 2.494 2.768 13.540 1.00 52.33 C ATOM 0 H ALA A 119 0.385 4.344 14.056 1.00 61.02 H new ATOM 0 HA ALA A 119 1.441 2.856 11.701 1.00 31.50 H new ATOM 0 HB1 ALA A 119 2.956 1.811 13.297 1.00 52.33 H new ATOM 0 HB2 ALA A 119 3.173 3.577 13.272 1.00 52.33 H new ATOM 0 HB3 ALA A 119 2.285 2.809 14.609 1.00 52.33 H new ATOM 1761 N GLN A 120 0.094 0.852 12.303 1.00 31.42 N ATOM 1762 CA GLN A 120 -0.845 -0.213 12.527 1.00 51.41 C ATOM 1763 C GLN A 120 -0.364 -1.557 12.112 1.00 72.14 C ATOM 1764 O GLN A 120 0.441 -1.692 11.191 1.00 60.43 O ATOM 1765 CB GLN A 120 -2.210 0.070 11.922 1.00 13.14 C ATOM 1766 CG GLN A 120 -3.237 0.467 12.956 1.00 14.03 C ATOM 1767 CD GLN A 120 -3.471 -0.639 13.983 1.00 20.10 C ATOM 1768 OE1 GLN A 120 -2.799 -0.706 15.007 1.00 10.22 O ATOM 1769 NE2 GLN A 120 -4.410 -1.505 13.722 1.00 62.22 N ATOM 0 H GLN A 120 0.636 0.762 11.443 1.00 31.42 H new ATOM 0 HA GLN A 120 -0.947 -0.243 13.612 1.00 51.41 H new ATOM 0 HB2 GLN A 120 -2.117 0.867 11.184 1.00 13.14 H new ATOM 0 HB3 GLN A 120 -2.558 -0.816 11.392 1.00 13.14 H new ATOM 0 HG2 GLN A 120 -2.907 1.372 13.466 1.00 14.03 H new ATOM 0 HG3 GLN A 120 -4.178 0.706 12.460 1.00 14.03 H new ATOM 0 HE21 GLN A 120 -4.953 -1.425 12.862 1.00 62.22 H new ATOM 0 HE22 GLN A 120 -4.601 -2.263 14.377 1.00 62.22 H new ATOM 1778 N VAL A 121 -0.852 -2.548 12.783 1.00 63.32 N ATOM 1779 CA VAL A 121 -0.681 -3.885 12.334 1.00 2.35 C ATOM 1780 C VAL A 121 -1.744 -4.083 11.236 1.00 32.10 C ATOM 1781 O VAL A 121 -2.918 -3.722 11.419 1.00 62.40 O ATOM 1782 CB VAL A 121 -0.813 -4.915 13.506 1.00 52.43 C ATOM 1783 CG1 VAL A 121 -2.130 -4.784 14.237 1.00 30.20 C ATOM 1784 CG2 VAL A 121 -0.612 -6.342 13.022 1.00 43.35 C ATOM 0 H VAL A 121 -1.377 -2.452 13.652 1.00 63.32 H new ATOM 0 HA VAL A 121 0.320 -4.058 11.940 1.00 2.35 H new ATOM 0 HB VAL A 121 -0.019 -4.679 14.214 1.00 52.43 H new ATOM 0 HG11 VAL A 121 -2.175 -5.519 15.041 1.00 30.20 H new ATOM 0 HG12 VAL A 121 -2.215 -3.782 14.657 1.00 30.20 H new ATOM 0 HG13 VAL A 121 -2.951 -4.957 13.541 1.00 30.20 H new ATOM 0 HG21 VAL A 121 -0.711 -7.029 13.863 1.00 43.35 H new ATOM 0 HG22 VAL A 121 -1.363 -6.580 12.269 1.00 43.35 H new ATOM 0 HG23 VAL A 121 0.382 -6.442 12.587 1.00 43.35 H new ATOM 1794 N MET A 122 -1.315 -4.561 10.097 1.00 13.43 N ATOM 1795 CA MET A 122 -2.141 -4.633 8.897 1.00 12.22 C ATOM 1796 C MET A 122 -3.364 -5.496 9.100 1.00 72.24 C ATOM 1797 O MET A 122 -3.293 -6.569 9.712 1.00 24.14 O ATOM 1798 CB MET A 122 -1.335 -5.150 7.704 1.00 64.20 C ATOM 1799 CG MET A 122 -0.091 -4.331 7.379 1.00 65.10 C ATOM 1800 SD MET A 122 0.855 -5.031 6.013 1.00 23.12 S ATOM 1801 CE MET A 122 2.292 -3.971 6.006 1.00 74.32 C ATOM 0 H MET A 122 -0.369 -4.919 9.964 1.00 13.43 H new ATOM 0 HA MET A 122 -2.476 -3.617 8.688 1.00 12.22 H new ATOM 0 HB2 MET A 122 -1.035 -6.179 7.903 1.00 64.20 H new ATOM 0 HB3 MET A 122 -1.981 -5.170 6.826 1.00 64.20 H new ATOM 0 HG2 MET A 122 -0.385 -3.312 7.129 1.00 65.10 H new ATOM 0 HG3 MET A 122 0.543 -4.272 8.264 1.00 65.10 H new ATOM 0 HE1 MET A 122 3.025 -4.356 5.297 1.00 74.32 H new ATOM 0 HE2 MET A 122 1.999 -2.963 5.713 1.00 74.32 H new ATOM 0 HE3 MET A 122 2.730 -3.946 7.004 1.00 74.32 H new ATOM 1811 N GLN A 123 -4.475 -5.008 8.611 1.00 63.11 N ATOM 1812 CA GLN A 123 -5.724 -5.707 8.675 1.00 22.14 C ATOM 1813 C GLN A 123 -6.009 -6.154 7.256 1.00 22.04 C ATOM 1814 O GLN A 123 -6.014 -5.325 6.331 1.00 65.55 O ATOM 1815 CB GLN A 123 -6.823 -4.746 9.174 1.00 64.43 C ATOM 1816 CG GLN A 123 -8.065 -5.401 9.806 1.00 74.13 C ATOM 1817 CD GLN A 123 -8.846 -6.324 8.888 1.00 74.33 C ATOM 1818 OE1 GLN A 123 -8.603 -7.532 8.831 1.00 12.22 O ATOM 1819 NE2 GLN A 123 -9.787 -5.780 8.179 1.00 23.44 N ATOM 0 H GLN A 123 -4.534 -4.100 8.151 1.00 63.11 H new ATOM 0 HA GLN A 123 -5.694 -6.555 9.359 1.00 22.14 H new ATOM 0 HB2 GLN A 123 -6.381 -4.072 9.908 1.00 64.43 H new ATOM 0 HB3 GLN A 123 -7.149 -4.133 8.334 1.00 64.43 H new ATOM 0 HG2 GLN A 123 -7.751 -5.967 10.683 1.00 74.13 H new ATOM 0 HG3 GLN A 123 -8.732 -4.614 10.157 1.00 74.13 H new ATOM 0 HE21 GLN A 123 -9.963 -4.778 8.249 1.00 23.44 H new ATOM 0 HE22 GLN A 123 -10.350 -6.355 7.552 1.00 23.44 H new ATOM 1828 N THR A 124 -6.224 -7.419 7.070 1.00 5.23 N ATOM 1829 CA THR A 124 -6.424 -7.960 5.767 1.00 32.24 C ATOM 1830 C THR A 124 -7.848 -7.707 5.267 1.00 24.41 C ATOM 1831 O THR A 124 -8.831 -8.184 5.856 1.00 11.21 O ATOM 1832 CB THR A 124 -6.087 -9.462 5.783 1.00 41.24 C ATOM 1833 OG1 THR A 124 -6.756 -10.090 6.895 1.00 53.33 O ATOM 1834 CG2 THR A 124 -4.584 -9.657 5.936 1.00 13.11 C ATOM 0 H THR A 124 -6.265 -8.106 7.823 1.00 5.23 H new ATOM 0 HA THR A 124 -5.756 -7.457 5.068 1.00 32.24 H new ATOM 0 HB THR A 124 -6.417 -9.910 4.846 1.00 41.24 H new ATOM 0 HG1 THR A 124 -7.660 -9.722 6.983 1.00 53.33 H new ATOM 0 HG21 THR A 124 -4.355 -10.723 5.946 1.00 13.11 H new ATOM 0 HG22 THR A 124 -4.069 -9.183 5.101 1.00 13.11 H new ATOM 0 HG23 THR A 124 -4.252 -9.205 6.871 1.00 13.11 H new ATOM 1842 N GLY A 125 -7.955 -6.926 4.212 1.00 22.04 N ATOM 1843 CA GLY A 125 -9.237 -6.630 3.647 1.00 53.51 C ATOM 1844 C GLY A 125 -9.742 -5.260 4.043 1.00 53.24 C ATOM 1845 O GLY A 125 -10.924 -4.953 3.863 1.00 63.20 O ATOM 0 H GLY A 125 -7.166 -6.490 3.735 1.00 22.04 H new ATOM 0 HA2 GLY A 125 -9.174 -6.691 2.560 1.00 53.51 H new ATOM 0 HA3 GLY A 125 -9.955 -7.385 3.968 1.00 53.51 H new ATOM 1849 N ASP A 126 -8.880 -4.425 4.587 1.00 21.01 N ATOM 1850 CA ASP A 126 -9.312 -3.087 4.952 1.00 34.23 C ATOM 1851 C ASP A 126 -8.546 -2.064 4.127 1.00 41.30 C ATOM 1852 O ASP A 126 -7.632 -2.431 3.361 1.00 33.02 O ATOM 1853 CB ASP A 126 -9.210 -2.821 6.472 1.00 21.20 C ATOM 1854 CG ASP A 126 -10.095 -1.652 6.923 1.00 4.02 C ATOM 1855 OD1 ASP A 126 -11.340 -1.819 6.961 1.00 0.44 O ATOM 1856 OD2 ASP A 126 -9.578 -0.570 7.225 1.00 52.31 O ATOM 0 H ASP A 126 -7.902 -4.638 4.783 1.00 21.01 H new ATOM 0 HA ASP A 126 -10.373 -2.993 4.720 1.00 34.23 H new ATOM 0 HB2 ASP A 126 -9.497 -3.721 7.015 1.00 21.20 H new ATOM 0 HB3 ASP A 126 -8.173 -2.609 6.732 1.00 21.20 H new ATOM 1861 N GLU A 127 -8.874 -0.820 4.287 1.00 64.45 N ATOM 1862 CA GLU A 127 -8.363 0.204 3.441 1.00 55.53 C ATOM 1863 C GLU A 127 -7.398 1.087 4.218 1.00 55.32 C ATOM 1864 O GLU A 127 -7.651 1.457 5.352 1.00 23.13 O ATOM 1865 CB GLU A 127 -9.553 0.994 2.886 1.00 41.23 C ATOM 1866 CG GLU A 127 -9.233 2.052 1.853 1.00 14.55 C ATOM 1867 CD GLU A 127 -10.490 2.719 1.364 1.00 33.32 C ATOM 1868 OE1 GLU A 127 -10.923 3.700 1.977 1.00 72.43 O ATOM 1869 OE2 GLU A 127 -11.096 2.252 0.372 1.00 21.35 O ATOM 0 H GLU A 127 -9.508 -0.488 5.014 1.00 64.45 H new ATOM 0 HA GLU A 127 -7.801 -0.218 2.608 1.00 55.53 H new ATOM 0 HB2 GLU A 127 -10.257 0.288 2.445 1.00 41.23 H new ATOM 0 HB3 GLU A 127 -10.064 1.474 3.721 1.00 41.23 H new ATOM 0 HG2 GLU A 127 -8.565 2.797 2.284 1.00 14.55 H new ATOM 0 HG3 GLU A 127 -8.706 1.599 1.013 1.00 14.55 H new ATOM 1876 N ILE A 128 -6.303 1.380 3.622 1.00 44.22 N ATOM 1877 CA ILE A 128 -5.308 2.218 4.195 1.00 13.04 C ATOM 1878 C ILE A 128 -5.408 3.582 3.532 1.00 70.24 C ATOM 1879 O ILE A 128 -5.348 3.703 2.298 1.00 43.41 O ATOM 1880 CB ILE A 128 -3.885 1.623 3.997 1.00 21.04 C ATOM 1881 CG1 ILE A 128 -3.801 0.220 4.634 1.00 33.23 C ATOM 1882 CG2 ILE A 128 -2.822 2.548 4.591 1.00 22.11 C ATOM 1883 CD1 ILE A 128 -2.463 -0.477 4.452 1.00 33.30 C ATOM 0 H ILE A 128 -6.063 1.035 2.693 1.00 44.22 H new ATOM 0 HA ILE A 128 -5.474 2.301 5.269 1.00 13.04 H new ATOM 0 HB ILE A 128 -3.694 1.533 2.928 1.00 21.04 H new ATOM 0 HG12 ILE A 128 -4.009 0.306 5.700 1.00 33.23 H new ATOM 0 HG13 ILE A 128 -4.584 -0.407 4.206 1.00 33.23 H new ATOM 0 HG21 ILE A 128 -1.835 2.111 4.441 1.00 22.11 H new ATOM 0 HG22 ILE A 128 -2.868 3.519 4.098 1.00 22.11 H new ATOM 0 HG23 ILE A 128 -3.004 2.674 5.658 1.00 22.11 H new ATOM 0 HD11 ILE A 128 -2.494 -1.456 4.931 1.00 33.30 H new ATOM 0 HD12 ILE A 128 -2.258 -0.600 3.388 1.00 33.30 H new ATOM 0 HD13 ILE A 128 -1.675 0.124 4.906 1.00 33.30 H new ATOM 1895 N GLN A 129 -5.601 4.583 4.326 1.00 32.41 N ATOM 1896 CA GLN A 129 -5.728 5.910 3.833 1.00 60.30 C ATOM 1897 C GLN A 129 -4.416 6.608 3.943 1.00 14.02 C ATOM 1898 O GLN A 129 -3.922 6.853 5.042 1.00 20.44 O ATOM 1899 CB GLN A 129 -6.783 6.698 4.596 1.00 0.51 C ATOM 1900 CG GLN A 129 -8.198 6.190 4.429 1.00 71.21 C ATOM 1901 CD GLN A 129 -9.184 7.084 5.133 1.00 74.05 C ATOM 1902 OE1 GLN A 129 -9.675 8.044 4.557 1.00 53.20 O ATOM 1903 NE2 GLN A 129 -9.479 6.793 6.367 1.00 22.22 N ATOM 0 H GLN A 129 -5.675 4.500 5.340 1.00 32.41 H new ATOM 0 HA GLN A 129 -6.041 5.851 2.791 1.00 60.30 H new ATOM 0 HB2 GLN A 129 -6.530 6.685 5.656 1.00 0.51 H new ATOM 0 HB3 GLN A 129 -6.745 7.738 4.272 1.00 0.51 H new ATOM 0 HG2 GLN A 129 -8.445 6.136 3.369 1.00 71.21 H new ATOM 0 HG3 GLN A 129 -8.273 5.178 4.826 1.00 71.21 H new ATOM 0 HE21 GLN A 129 -9.050 5.984 6.817 1.00 22.22 H new ATOM 0 HE22 GLN A 129 -10.139 7.374 6.884 1.00 22.22 H new ATOM 1912 N ILE A 130 -3.845 6.893 2.831 1.00 32.22 N ATOM 1913 CA ILE A 130 -2.633 7.633 2.774 1.00 74.21 C ATOM 1914 C ILE A 130 -2.982 9.048 2.387 1.00 31.42 C ATOM 1915 O ILE A 130 -3.251 9.357 1.220 1.00 3.52 O ATOM 1916 CB ILE A 130 -1.580 6.976 1.823 1.00 23.00 C ATOM 1917 CG1 ILE A 130 -2.239 6.450 0.526 1.00 32.31 C ATOM 1918 CG2 ILE A 130 -0.836 5.862 2.542 1.00 5.31 C ATOM 1919 CD1 ILE A 130 -1.289 5.729 -0.417 1.00 62.52 C ATOM 0 H ILE A 130 -4.209 6.616 1.920 1.00 32.22 H new ATOM 0 HA ILE A 130 -2.147 7.636 3.750 1.00 74.21 H new ATOM 0 HB ILE A 130 -0.862 7.744 1.537 1.00 23.00 H new ATOM 0 HG12 ILE A 130 -3.049 5.771 0.794 1.00 32.31 H new ATOM 0 HG13 ILE A 130 -2.689 7.289 -0.004 1.00 32.31 H new ATOM 0 HG21 ILE A 130 -0.107 5.416 1.866 1.00 5.31 H new ATOM 0 HG22 ILE A 130 -0.321 6.270 3.412 1.00 5.31 H new ATOM 0 HG23 ILE A 130 -1.545 5.100 2.865 1.00 5.31 H new ATOM 0 HD11 ILE A 130 -1.836 5.395 -1.299 1.00 62.52 H new ATOM 0 HD12 ILE A 130 -0.492 6.408 -0.720 1.00 62.52 H new ATOM 0 HD13 ILE A 130 -0.857 4.867 0.091 1.00 62.52 H new ATOM 1931 N GLY A 131 -3.064 9.889 3.387 1.00 42.04 N ATOM 1932 CA GLY A 131 -3.529 11.216 3.180 1.00 14.32 C ATOM 1933 C GLY A 131 -5.011 11.168 2.998 1.00 70.12 C ATOM 1934 O GLY A 131 -5.745 10.794 3.921 1.00 1.23 O ATOM 0 H GLY A 131 -2.812 9.667 4.350 1.00 42.04 H new ATOM 0 HA2 GLY A 131 -3.271 11.846 4.031 1.00 14.32 H new ATOM 0 HA3 GLY A 131 -3.052 11.653 2.303 1.00 14.32 H new ATOM 1938 N LYS A 132 -5.464 11.499 1.827 1.00 72.15 N ATOM 1939 CA LYS A 132 -6.863 11.400 1.510 1.00 51.22 C ATOM 1940 C LYS A 132 -7.066 10.542 0.275 1.00 4.32 C ATOM 1941 O LYS A 132 -8.181 10.397 -0.217 1.00 41.33 O ATOM 1942 CB LYS A 132 -7.509 12.784 1.384 1.00 10.31 C ATOM 1943 CG LYS A 132 -7.457 13.568 2.689 1.00 22.41 C ATOM 1944 CD LYS A 132 -8.031 14.957 2.557 1.00 3.31 C ATOM 1945 CE LYS A 132 -7.882 15.734 3.863 1.00 44.41 C ATOM 1946 NZ LYS A 132 -6.466 15.804 4.324 1.00 72.33 N ATOM 0 H LYS A 132 -4.880 11.844 1.065 1.00 72.15 H new ATOM 0 HA LYS A 132 -7.373 10.903 2.335 1.00 51.22 H new ATOM 0 HB2 LYS A 132 -7.001 13.350 0.603 1.00 10.31 H new ATOM 0 HB3 LYS A 132 -8.547 12.671 1.072 1.00 10.31 H new ATOM 0 HG2 LYS A 132 -8.006 13.024 3.457 1.00 22.41 H new ATOM 0 HG3 LYS A 132 -6.423 13.637 3.026 1.00 22.41 H new ATOM 0 HD2 LYS A 132 -7.524 15.490 1.752 1.00 3.31 H new ATOM 0 HD3 LYS A 132 -9.084 14.895 2.284 1.00 3.31 H new ATOM 0 HE2 LYS A 132 -8.268 16.744 3.727 1.00 44.41 H new ATOM 0 HE3 LYS A 132 -8.490 15.262 4.635 1.00 44.41 H new ATOM 0 HZ1 LYS A 132 -6.364 16.572 5.018 1.00 72.33 H new ATOM 0 HZ2 LYS A 132 -6.200 14.901 4.765 1.00 72.33 H new ATOM 0 HZ3 LYS A 132 -5.845 15.988 3.511 1.00 72.33 H new ATOM 1960 N PHE A 133 -5.988 9.948 -0.201 1.00 15.31 N ATOM 1961 CA PHE A 133 -6.069 9.023 -1.300 1.00 14.35 C ATOM 1962 C PHE A 133 -6.066 7.598 -0.758 1.00 32.55 C ATOM 1963 O PHE A 133 -5.520 7.346 0.322 1.00 32.20 O ATOM 1964 CB PHE A 133 -5.055 9.319 -2.444 1.00 61.10 C ATOM 1965 CG PHE A 133 -3.612 9.598 -2.067 1.00 73.42 C ATOM 1966 CD1 PHE A 133 -3.230 10.852 -1.609 1.00 45.11 C ATOM 1967 CD2 PHE A 133 -2.637 8.630 -2.220 1.00 74.34 C ATOM 1968 CE1 PHE A 133 -1.910 11.124 -1.302 1.00 73.12 C ATOM 1969 CE2 PHE A 133 -1.313 8.906 -1.921 1.00 31.55 C ATOM 1970 CZ PHE A 133 -0.952 10.151 -1.460 1.00 73.14 C ATOM 0 H PHE A 133 -5.046 10.095 0.162 1.00 15.31 H new ATOM 0 HA PHE A 133 -7.020 9.159 -1.815 1.00 14.35 H new ATOM 0 HB2 PHE A 133 -5.063 8.468 -3.125 1.00 61.10 H new ATOM 0 HB3 PHE A 133 -5.425 10.178 -3.003 1.00 61.10 H new ATOM 0 HD1 PHE A 133 -3.974 11.625 -1.491 1.00 45.11 H new ATOM 0 HD2 PHE A 133 -2.911 7.648 -2.577 1.00 74.34 H new ATOM 0 HE1 PHE A 133 -1.631 12.102 -0.938 1.00 73.12 H new ATOM 0 HE2 PHE A 133 -0.561 8.141 -2.050 1.00 31.55 H new ATOM 0 HZ PHE A 133 0.080 10.363 -1.223 1.00 73.14 H new ATOM 1980 N ARG A 134 -6.681 6.671 -1.468 1.00 44.35 N ATOM 1981 CA ARG A 134 -7.007 5.388 -0.849 1.00 45.44 C ATOM 1982 C ARG A 134 -6.337 4.178 -1.481 1.00 55.32 C ATOM 1983 O ARG A 134 -6.346 3.990 -2.710 1.00 62.02 O ATOM 1984 CB ARG A 134 -8.529 5.210 -0.775 1.00 32.54 C ATOM 1985 CG ARG A 134 -9.214 6.329 -0.001 1.00 4.11 C ATOM 1986 CD ARG A 134 -10.714 6.136 0.109 1.00 71.15 C ATOM 1987 NE ARG A 134 -11.335 7.251 0.833 1.00 45.33 N ATOM 1988 CZ ARG A 134 -11.805 7.201 2.092 1.00 74.44 C ATOM 1989 NH1 ARG A 134 -11.727 6.081 2.806 1.00 1.41 N ATOM 1990 NH2 ARG A 134 -12.344 8.283 2.638 1.00 2.13 N ATOM 0 H ARG A 134 -6.960 6.770 -2.444 1.00 44.35 H new ATOM 0 HA ARG A 134 -6.589 5.431 0.157 1.00 45.44 H new ATOM 0 HB2 ARG A 134 -8.936 5.171 -1.785 1.00 32.54 H new ATOM 0 HB3 ARG A 134 -8.757 4.255 -0.302 1.00 32.54 H new ATOM 0 HG2 ARG A 134 -8.786 6.387 1.000 1.00 4.11 H new ATOM 0 HG3 ARG A 134 -9.010 7.281 -0.491 1.00 4.11 H new ATOM 0 HD2 ARG A 134 -11.148 6.058 -0.888 1.00 71.15 H new ATOM 0 HD3 ARG A 134 -10.927 5.199 0.624 1.00 71.15 H new ATOM 0 HE ARG A 134 -11.417 8.140 0.339 1.00 45.33 H new ATOM 0 HH11 ARG A 134 -11.306 5.245 2.400 1.00 1.41 H new ATOM 0 HH12 ARG A 134 -12.088 6.058 3.760 1.00 1.41 H new ATOM 0 HH21 ARG A 134 -12.401 9.150 2.103 1.00 2.13 H new ATOM 0 HH22 ARG A 134 -12.701 8.248 3.593 1.00 2.13 H new ATOM 2004 N LEU A 135 -5.783 3.361 -0.615 1.00 63.35 N ATOM 2005 CA LEU A 135 -5.096 2.136 -0.948 1.00 13.24 C ATOM 2006 C LEU A 135 -5.769 1.002 -0.162 1.00 52.15 C ATOM 2007 O LEU A 135 -6.086 1.178 0.977 1.00 21.14 O ATOM 2008 CB LEU A 135 -3.595 2.333 -0.562 1.00 53.14 C ATOM 2009 CG LEU A 135 -2.595 1.158 -0.695 1.00 75.00 C ATOM 2010 CD1 LEU A 135 -1.178 1.714 -0.699 1.00 54.13 C ATOM 2011 CD2 LEU A 135 -2.721 0.197 0.485 1.00 4.32 C ATOM 0 H LEU A 135 -5.800 3.542 0.389 1.00 63.35 H new ATOM 0 HA LEU A 135 -5.146 1.883 -2.007 1.00 13.24 H new ATOM 0 HB2 LEU A 135 -3.211 3.154 -1.167 1.00 53.14 H new ATOM 0 HB3 LEU A 135 -3.569 2.663 0.476 1.00 53.14 H new ATOM 0 HG LEU A 135 -2.814 0.624 -1.620 1.00 75.00 H new ATOM 0 HD11 LEU A 135 -0.466 0.894 -0.792 1.00 54.13 H new ATOM 0 HD12 LEU A 135 -1.057 2.397 -1.540 1.00 54.13 H new ATOM 0 HD13 LEU A 135 -0.995 2.250 0.232 1.00 54.13 H new ATOM 0 HD21 LEU A 135 -2.008 -0.619 0.367 1.00 4.32 H new ATOM 0 HD22 LEU A 135 -2.512 0.730 1.412 1.00 4.32 H new ATOM 0 HD23 LEU A 135 -3.733 -0.207 0.519 1.00 4.32 H new ATOM 2023 N VAL A 136 -6.017 -0.122 -0.775 1.00 33.54 N ATOM 2024 CA VAL A 136 -6.650 -1.242 -0.079 1.00 11.31 C ATOM 2025 C VAL A 136 -5.646 -2.376 0.046 1.00 2.52 C ATOM 2026 O VAL A 136 -4.917 -2.655 -0.904 1.00 42.33 O ATOM 2027 CB VAL A 136 -7.913 -1.757 -0.831 1.00 61.54 C ATOM 2028 CG1 VAL A 136 -8.651 -2.812 -0.015 1.00 20.32 C ATOM 2029 CG2 VAL A 136 -8.844 -0.617 -1.166 1.00 33.02 C ATOM 0 H VAL A 136 -5.796 -0.301 -1.755 1.00 33.54 H new ATOM 0 HA VAL A 136 -6.967 -0.893 0.904 1.00 11.31 H new ATOM 0 HB VAL A 136 -7.575 -2.216 -1.760 1.00 61.54 H new ATOM 0 HG11 VAL A 136 -9.528 -3.151 -0.567 1.00 20.32 H new ATOM 0 HG12 VAL A 136 -7.989 -3.658 0.170 1.00 20.32 H new ATOM 0 HG13 VAL A 136 -8.965 -2.382 0.936 1.00 20.32 H new ATOM 0 HG21 VAL A 136 -9.718 -1.003 -1.691 1.00 33.02 H new ATOM 0 HG22 VAL A 136 -9.161 -0.124 -0.247 1.00 33.02 H new ATOM 0 HG23 VAL A 136 -8.326 0.100 -1.803 1.00 33.02 H new ATOM 2039 N PHE A 137 -5.598 -3.009 1.195 1.00 3.35 N ATOM 2040 CA PHE A 137 -4.664 -4.095 1.434 1.00 3.04 C ATOM 2041 C PHE A 137 -5.409 -5.430 1.459 1.00 41.35 C ATOM 2042 O PHE A 137 -6.264 -5.657 2.327 1.00 33.44 O ATOM 2043 CB PHE A 137 -3.909 -3.865 2.755 1.00 62.01 C ATOM 2044 CG PHE A 137 -2.905 -4.937 3.087 1.00 71.25 C ATOM 2045 CD1 PHE A 137 -1.692 -4.995 2.424 1.00 23.54 C ATOM 2046 CD2 PHE A 137 -3.182 -5.891 4.056 1.00 22.33 C ATOM 2047 CE1 PHE A 137 -0.774 -5.980 2.721 1.00 3.43 C ATOM 2048 CE2 PHE A 137 -2.267 -6.878 4.354 1.00 21.32 C ATOM 2049 CZ PHE A 137 -1.063 -6.922 3.685 1.00 5.41 C ATOM 0 H PHE A 137 -6.200 -2.791 1.989 1.00 3.35 H new ATOM 0 HA PHE A 137 -3.935 -4.123 0.624 1.00 3.04 H new ATOM 0 HB2 PHE A 137 -3.395 -2.905 2.704 1.00 62.01 H new ATOM 0 HB3 PHE A 137 -4.633 -3.797 3.567 1.00 62.01 H new ATOM 0 HD1 PHE A 137 -1.462 -4.261 1.666 1.00 23.54 H new ATOM 0 HD2 PHE A 137 -4.125 -5.860 4.582 1.00 22.33 H new ATOM 0 HE1 PHE A 137 0.171 -6.013 2.199 1.00 3.43 H new ATOM 0 HE2 PHE A 137 -2.493 -7.615 5.110 1.00 21.32 H new ATOM 0 HZ PHE A 137 -0.345 -7.695 3.916 1.00 5.41 H new ATOM 2059 N LEU A 138 -5.085 -6.308 0.529 1.00 11.33 N ATOM 2060 CA LEU A 138 -5.759 -7.590 0.424 1.00 21.12 C ATOM 2061 C LEU A 138 -4.793 -8.729 0.651 1.00 72.44 C ATOM 2062 O LEU A 138 -3.625 -8.678 0.234 1.00 50.35 O ATOM 2063 CB LEU A 138 -6.444 -7.801 -0.951 1.00 10.02 C ATOM 2064 CG LEU A 138 -7.565 -6.836 -1.379 1.00 32.25 C ATOM 2065 CD1 LEU A 138 -8.602 -6.648 -0.286 1.00 64.11 C ATOM 2066 CD2 LEU A 138 -7.024 -5.508 -1.896 1.00 13.51 C ATOM 0 H LEU A 138 -4.356 -6.157 -0.168 1.00 11.33 H new ATOM 0 HA LEU A 138 -6.528 -7.582 1.196 1.00 21.12 H new ATOM 0 HB2 LEU A 138 -5.668 -7.764 -1.715 1.00 10.02 H new ATOM 0 HB3 LEU A 138 -6.855 -8.810 -0.963 1.00 10.02 H new ATOM 0 HG LEU A 138 -8.075 -7.306 -2.220 1.00 32.25 H new ATOM 0 HD11 LEU A 138 -9.374 -5.960 -0.631 1.00 64.11 H new ATOM 0 HD12 LEU A 138 -9.055 -7.610 -0.045 1.00 64.11 H new ATOM 0 HD13 LEU A 138 -8.123 -6.239 0.604 1.00 64.11 H new ATOM 0 HD21 LEU A 138 -7.855 -4.864 -2.184 1.00 13.51 H new ATOM 0 HD22 LEU A 138 -6.443 -5.022 -1.112 1.00 13.51 H new ATOM 0 HD23 LEU A 138 -6.386 -5.687 -2.762 1.00 13.51 H new ATOM 2078 N ALA A 139 -5.273 -9.757 1.284 1.00 33.32 N ATOM 2079 CA ALA A 139 -4.493 -10.939 1.521 1.00 13.34 C ATOM 2080 C ALA A 139 -4.833 -11.954 0.461 1.00 21.14 C ATOM 2081 O ALA A 139 -5.812 -12.695 0.580 1.00 65.33 O ATOM 2082 CB ALA A 139 -4.742 -11.505 2.907 1.00 51.35 C ATOM 0 H ALA A 139 -6.223 -9.802 1.654 1.00 33.32 H new ATOM 0 HA ALA A 139 -3.434 -10.685 1.470 1.00 13.34 H new ATOM 0 HB1 ALA A 139 -4.134 -12.399 3.050 1.00 51.35 H new ATOM 0 HB2 ALA A 139 -4.475 -10.761 3.657 1.00 51.35 H new ATOM 0 HB3 ALA A 139 -5.796 -11.763 3.011 1.00 51.35 H new ATOM 2088 N GLY A 140 -4.090 -11.919 -0.599 1.00 35.52 N ATOM 2089 CA GLY A 140 -4.316 -12.824 -1.683 1.00 30.44 C ATOM 2090 C GLY A 140 -3.245 -13.880 -1.742 1.00 3.24 C ATOM 2091 O GLY A 140 -3.500 -15.039 -1.397 1.00 42.11 O ATOM 0 H GLY A 140 -3.316 -11.269 -0.738 1.00 35.52 H new ATOM 0 HA2 GLY A 140 -5.291 -13.297 -1.568 1.00 30.44 H new ATOM 0 HA3 GLY A 140 -4.338 -12.272 -2.623 1.00 30.44 H new ATOM 2095 N PRO A 141 -2.020 -13.519 -2.158 1.00 34.04 N ATOM 2096 CA PRO A 141 -0.930 -14.466 -2.240 1.00 44.05 C ATOM 2097 C PRO A 141 -0.348 -14.804 -0.871 1.00 13.41 C ATOM 2098 O PRO A 141 -0.066 -13.918 -0.057 1.00 2.42 O ATOM 2099 CB PRO A 141 0.131 -13.769 -3.105 1.00 64.03 C ATOM 2100 CG PRO A 141 -0.456 -12.454 -3.513 1.00 31.12 C ATOM 2101 CD PRO A 141 -1.604 -12.180 -2.590 1.00 32.32 C ATOM 0 HA PRO A 141 -1.270 -15.414 -2.658 1.00 44.05 H new ATOM 0 HB2 PRO A 141 1.055 -13.625 -2.546 1.00 64.03 H new ATOM 0 HB3 PRO A 141 0.378 -14.372 -3.979 1.00 64.03 H new ATOM 0 HG2 PRO A 141 0.290 -11.662 -3.446 1.00 31.12 H new ATOM 0 HG3 PRO A 141 -0.794 -12.487 -4.549 1.00 31.12 H new ATOM 0 HD2 PRO A 141 -1.302 -11.561 -1.745 1.00 32.32 H new ATOM 0 HD3 PRO A 141 -2.411 -11.653 -3.098 1.00 32.32 H new