USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 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 37 SER OG : rot 21:sc= 0.31 USER MOD Set 1.2: A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.0719 (180deg=-0.282) USER MOD Single : A 8 CYS SG : rot 2:sc= -6.99! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 43:sc= 0.0762 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 180:sc= -0.804 USER MOD Single : A 31 SER OG : rot 180:sc= -0.346 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0123 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -126:sc= -0.989! USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 143:sc= 0.989 (180deg=0.107) USER MOD Single : A 50 THR OG1 : rot -33:sc= -6.64! USER MOD Single : A 57 CYS SG : rot -175:sc= -0.819 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0318 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.55 K(o=-0.55,f=0) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 74.213 14.898 3.968 1.00 0.00 N ATOM 2 CA MET A 1 73.367 14.497 2.809 1.00 0.00 C ATOM 3 C MET A 1 72.258 13.560 3.290 1.00 0.00 C ATOM 4 O MET A 1 71.719 12.778 2.532 1.00 0.00 O ATOM 5 CB MET A 1 74.233 13.775 1.775 1.00 0.00 C ATOM 6 CG MET A 1 73.451 13.624 0.469 1.00 0.00 C ATOM 7 SD MET A 1 73.213 11.866 0.108 1.00 0.00 S ATOM 8 CE MET A 1 73.254 11.996 -1.696 1.00 0.00 C ATOM 0 H1 MET A 1 75.077 15.363 3.623 1.00 0.00 H new ATOM 0 H2 MET A 1 73.683 15.557 4.573 1.00 0.00 H new ATOM 0 H3 MET A 1 74.470 14.054 4.518 1.00 0.00 H new ATOM 0 HA MET A 1 72.923 15.383 2.356 1.00 0.00 H new ATOM 0 HB2 MET A 1 75.151 14.336 1.599 1.00 0.00 H new ATOM 0 HB3 MET A 1 74.526 12.795 2.151 1.00 0.00 H new ATOM 0 HG2 MET A 1 72.486 14.123 0.551 1.00 0.00 H new ATOM 0 HG3 MET A 1 73.990 14.104 -0.348 1.00 0.00 H new ATOM 0 HE1 MET A 1 73.123 11.007 -2.135 1.00 0.00 H new ATOM 0 HE2 MET A 1 72.450 12.651 -2.032 1.00 0.00 H new ATOM 0 HE3 MET A 1 74.213 12.408 -2.009 1.00 0.00 H new ATOM 18 N ALA A 2 71.913 13.633 4.546 1.00 0.00 N ATOM 19 CA ALA A 2 70.840 12.746 5.079 1.00 0.00 C ATOM 20 C ALA A 2 69.573 12.912 4.237 1.00 0.00 C ATOM 21 O ALA A 2 69.166 14.012 3.920 1.00 0.00 O ATOM 22 CB ALA A 2 70.540 13.125 6.531 1.00 0.00 C ATOM 0 H ALA A 2 72.328 14.269 5.227 1.00 0.00 H new ATOM 0 HA ALA A 2 71.172 11.709 5.034 1.00 0.00 H new ATOM 0 HB1 ALA A 2 69.755 12.477 6.922 1.00 0.00 H new ATOM 0 HB2 ALA A 2 71.442 13.006 7.132 1.00 0.00 H new ATOM 0 HB3 ALA A 2 70.209 14.163 6.575 1.00 0.00 H new ATOM 28 N GLU A 3 68.946 11.827 3.874 1.00 0.00 N ATOM 29 CA GLU A 3 67.705 11.921 3.054 1.00 0.00 C ATOM 30 C GLU A 3 66.485 11.940 3.978 1.00 0.00 C ATOM 31 O GLU A 3 66.536 12.455 5.077 1.00 0.00 O ATOM 32 CB GLU A 3 67.621 10.712 2.121 1.00 0.00 C ATOM 33 CG GLU A 3 66.933 11.119 0.817 1.00 0.00 C ATOM 34 CD GLU A 3 67.950 11.785 -0.112 1.00 0.00 C ATOM 35 OE1 GLU A 3 69.084 11.337 -0.134 1.00 0.00 O ATOM 36 OE2 GLU A 3 67.577 12.732 -0.784 1.00 0.00 O ATOM 0 H GLU A 3 69.239 10.879 4.110 1.00 0.00 H new ATOM 0 HA GLU A 3 67.726 12.836 2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 3 68.620 10.330 1.913 1.00 0.00 H new ATOM 0 HB3 GLU A 3 67.065 9.907 2.601 1.00 0.00 H new ATOM 0 HG2 GLU A 3 66.502 10.243 0.333 1.00 0.00 H new ATOM 0 HG3 GLU A 3 66.112 11.805 1.026 1.00 0.00 H new ATOM 43 N ASP A 4 65.387 11.384 3.543 1.00 0.00 N ATOM 44 CA ASP A 4 64.167 11.374 4.399 1.00 0.00 C ATOM 45 C ASP A 4 63.964 9.977 4.990 1.00 0.00 C ATOM 46 O ASP A 4 62.857 9.484 5.074 1.00 0.00 O ATOM 47 CB ASP A 4 62.949 11.751 3.552 1.00 0.00 C ATOM 48 CG ASP A 4 63.052 13.218 3.133 1.00 0.00 C ATOM 49 OD1 ASP A 4 63.786 13.496 2.200 1.00 0.00 O ATOM 50 OD2 ASP A 4 62.394 14.038 3.752 1.00 0.00 O ATOM 0 H ASP A 4 65.282 10.937 2.632 1.00 0.00 H new ATOM 0 HA ASP A 4 64.287 12.094 5.208 1.00 0.00 H new ATOM 0 HB2 ASP A 4 62.895 11.113 2.670 1.00 0.00 H new ATOM 0 HB3 ASP A 4 62.033 11.588 4.120 1.00 0.00 H new ATOM 55 N TRP A 5 65.023 9.336 5.401 1.00 0.00 N ATOM 56 CA TRP A 5 64.887 7.972 5.986 1.00 0.00 C ATOM 57 C TRP A 5 63.947 8.024 7.192 1.00 0.00 C ATOM 58 O TRP A 5 64.311 8.485 8.256 1.00 0.00 O ATOM 59 CB TRP A 5 66.261 7.471 6.433 1.00 0.00 C ATOM 60 CG TRP A 5 67.204 7.505 5.273 1.00 0.00 C ATOM 61 CD1 TRP A 5 67.994 8.552 4.943 1.00 0.00 C ATOM 62 CD2 TRP A 5 67.467 6.467 4.286 1.00 0.00 C ATOM 63 NE1 TRP A 5 68.726 8.222 3.817 1.00 0.00 N ATOM 64 CE2 TRP A 5 68.436 6.947 3.374 1.00 0.00 C ATOM 65 CE3 TRP A 5 66.964 5.167 4.096 1.00 0.00 C ATOM 66 CZ2 TRP A 5 68.890 6.165 2.311 1.00 0.00 C ATOM 67 CZ3 TRP A 5 67.419 4.378 3.027 1.00 0.00 C ATOM 68 CH2 TRP A 5 68.380 4.876 2.137 1.00 0.00 C ATOM 0 H TRP A 5 65.976 9.697 5.357 1.00 0.00 H new ATOM 0 HA TRP A 5 64.478 7.295 5.236 1.00 0.00 H new ATOM 0 HB2 TRP A 5 66.641 8.093 7.243 1.00 0.00 H new ATOM 0 HB3 TRP A 5 66.181 6.456 6.821 1.00 0.00 H new ATOM 0 HD1 TRP A 5 68.045 9.492 5.472 1.00 0.00 H new ATOM 0 HE1 TRP A 5 69.398 8.845 3.369 1.00 0.00 H new ATOM 0 HE3 TRP A 5 66.223 4.773 4.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 69.630 6.554 1.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 67.026 3.381 2.890 1.00 0.00 H new ATOM 0 HH2 TRP A 5 68.726 4.264 1.317 1.00 0.00 H new ATOM 79 N LEU A 6 62.740 7.551 7.037 1.00 0.00 N ATOM 80 CA LEU A 6 61.778 7.570 8.175 1.00 0.00 C ATOM 81 C LEU A 6 61.453 6.134 8.588 1.00 0.00 C ATOM 82 O LEU A 6 61.452 5.231 7.776 1.00 0.00 O ATOM 83 CB LEU A 6 60.492 8.280 7.747 1.00 0.00 C ATOM 84 CG LEU A 6 60.762 9.777 7.587 1.00 0.00 C ATOM 85 CD1 LEU A 6 59.463 10.491 7.207 1.00 0.00 C ATOM 86 CD2 LEU A 6 61.287 10.345 8.908 1.00 0.00 C ATOM 0 H LEU A 6 62.379 7.152 6.171 1.00 0.00 H new ATOM 0 HA LEU A 6 62.222 8.101 9.017 1.00 0.00 H new ATOM 0 HB2 LEU A 6 60.130 7.863 6.807 1.00 0.00 H new ATOM 0 HB3 LEU A 6 59.711 8.118 8.490 1.00 0.00 H new ATOM 0 HG LEU A 6 61.505 9.931 6.804 1.00 0.00 H new ATOM 0 HD11 LEU A 6 59.654 11.558 7.093 1.00 0.00 H new ATOM 0 HD12 LEU A 6 59.087 10.087 6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 6 58.721 10.337 7.990 1.00 0.00 H new ATOM 0 HD21 LEU A 6 61.480 11.412 8.794 1.00 0.00 H new ATOM 0 HD22 LEU A 6 60.544 10.192 9.691 1.00 0.00 H new ATOM 0 HD23 LEU A 6 62.212 9.836 9.181 1.00 0.00 H new ATOM 98 N ASP A 7 61.176 5.916 9.845 1.00 0.00 N ATOM 99 CA ASP A 7 60.850 4.537 10.308 1.00 0.00 C ATOM 100 C ASP A 7 59.898 3.876 9.308 1.00 0.00 C ATOM 101 O ASP A 7 58.930 4.468 8.875 1.00 0.00 O ATOM 102 CB ASP A 7 60.184 4.606 11.683 1.00 0.00 C ATOM 103 CG ASP A 7 61.004 3.795 12.688 1.00 0.00 C ATOM 104 OD1 ASP A 7 62.209 3.720 12.516 1.00 0.00 O ATOM 105 OD2 ASP A 7 60.413 3.263 13.614 1.00 0.00 O ATOM 0 H ASP A 7 61.161 6.633 10.571 1.00 0.00 H new ATOM 0 HA ASP A 7 61.765 3.949 10.379 1.00 0.00 H new ATOM 0 HB2 ASP A 7 60.109 5.643 12.011 1.00 0.00 H new ATOM 0 HB3 ASP A 7 59.168 4.215 11.627 1.00 0.00 H new ATOM 110 N CYS A 8 60.168 2.655 8.936 1.00 0.00 N ATOM 111 CA CYS A 8 59.283 1.956 7.961 1.00 0.00 C ATOM 112 C CYS A 8 58.154 1.239 8.714 1.00 0.00 C ATOM 113 O CYS A 8 58.405 0.298 9.440 1.00 0.00 O ATOM 114 CB CYS A 8 60.102 0.922 7.187 1.00 0.00 C ATOM 115 SG CYS A 8 59.009 -0.025 6.099 1.00 0.00 S ATOM 0 H CYS A 8 60.965 2.110 9.266 1.00 0.00 H new ATOM 0 HA CYS A 8 58.858 2.685 7.271 1.00 0.00 H new ATOM 0 HB2 CYS A 8 60.874 1.420 6.600 1.00 0.00 H new ATOM 0 HB3 CYS A 8 60.611 0.253 7.881 1.00 0.00 H new ATOM 0 HG CYS A 8 57.794 0.426 6.205 1.00 0.00 H new ATOM 121 N PRO A 9 56.942 1.698 8.516 1.00 0.00 N ATOM 122 CA PRO A 9 55.760 1.106 9.167 1.00 0.00 C ATOM 123 C PRO A 9 55.367 -0.192 8.458 1.00 0.00 C ATOM 124 O PRO A 9 55.001 -1.168 9.083 1.00 0.00 O ATOM 125 CB PRO A 9 54.678 2.174 8.992 1.00 0.00 C ATOM 126 CG PRO A 9 55.117 3.045 7.791 1.00 0.00 C ATOM 127 CD PRO A 9 56.636 2.841 7.632 1.00 0.00 C ATOM 0 HA PRO A 9 55.926 0.848 10.213 1.00 0.00 H new ATOM 0 HB2 PRO A 9 53.707 1.716 8.806 1.00 0.00 H new ATOM 0 HB3 PRO A 9 54.578 2.778 9.894 1.00 0.00 H new ATOM 0 HG2 PRO A 9 54.589 2.749 6.884 1.00 0.00 H new ATOM 0 HG3 PRO A 9 54.883 4.095 7.968 1.00 0.00 H new ATOM 0 HD2 PRO A 9 56.903 2.627 6.597 1.00 0.00 H new ATOM 0 HD3 PRO A 9 57.191 3.732 7.926 1.00 0.00 H new ATOM 135 N ALA A 10 55.443 -0.210 7.156 1.00 0.00 N ATOM 136 CA ALA A 10 55.079 -1.442 6.403 1.00 0.00 C ATOM 137 C ALA A 10 55.748 -2.653 7.054 1.00 0.00 C ATOM 138 O ALA A 10 55.148 -3.698 7.209 1.00 0.00 O ATOM 139 CB ALA A 10 55.560 -1.316 4.958 1.00 0.00 C ATOM 0 H ALA A 10 55.742 0.577 6.580 1.00 0.00 H new ATOM 0 HA ALA A 10 53.997 -1.570 6.418 1.00 0.00 H new ATOM 0 HB1 ALA A 10 55.294 -2.217 4.406 1.00 0.00 H new ATOM 0 HB2 ALA A 10 55.087 -0.452 4.491 1.00 0.00 H new ATOM 0 HB3 ALA A 10 56.642 -1.189 4.945 1.00 0.00 H new ATOM 145 N LEU A 11 56.989 -2.520 7.436 1.00 0.00 N ATOM 146 CA LEU A 11 57.698 -3.664 8.076 1.00 0.00 C ATOM 147 C LEU A 11 57.732 -3.460 9.591 1.00 0.00 C ATOM 148 O LEU A 11 57.203 -4.252 10.345 1.00 0.00 O ATOM 149 CB LEU A 11 59.129 -3.743 7.539 1.00 0.00 C ATOM 150 CG LEU A 11 59.109 -3.691 6.009 1.00 0.00 C ATOM 151 CD1 LEU A 11 60.474 -4.115 5.466 1.00 0.00 C ATOM 152 CD2 LEU A 11 58.034 -4.642 5.478 1.00 0.00 C ATOM 0 H LEU A 11 57.542 -1.669 7.333 1.00 0.00 H new ATOM 0 HA LEU A 11 57.173 -4.591 7.846 1.00 0.00 H new ATOM 0 HB2 LEU A 11 59.722 -2.917 7.933 1.00 0.00 H new ATOM 0 HB3 LEU A 11 59.604 -4.665 7.875 1.00 0.00 H new ATOM 0 HG LEU A 11 58.887 -2.674 5.685 1.00 0.00 H new ATOM 0 HD11 LEU A 11 60.460 -4.078 4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 11 61.241 -3.438 5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 11 60.695 -5.131 5.792 1.00 0.00 H new ATOM 0 HD21 LEU A 11 58.021 -4.604 4.389 1.00 0.00 H new ATOM 0 HD22 LEU A 11 58.255 -5.659 5.803 1.00 0.00 H new ATOM 0 HD23 LEU A 11 57.060 -4.341 5.863 1.00 0.00 H new ATOM 164 N GLY A 12 58.350 -2.405 10.043 1.00 0.00 N ATOM 165 CA GLY A 12 58.417 -2.153 11.509 1.00 0.00 C ATOM 166 C GLY A 12 59.617 -1.255 11.819 1.00 0.00 C ATOM 167 O GLY A 12 59.997 -0.432 11.010 1.00 0.00 O ATOM 0 H GLY A 12 58.812 -1.706 9.461 1.00 0.00 H new ATOM 0 HA2 GLY A 12 57.497 -1.678 11.849 1.00 0.00 H new ATOM 0 HA3 GLY A 12 58.507 -3.097 12.047 1.00 0.00 H new ATOM 171 N PRO A 13 60.179 -1.441 12.986 1.00 0.00 N ATOM 172 CA PRO A 13 61.343 -0.661 13.437 1.00 0.00 C ATOM 173 C PRO A 13 62.620 -1.172 12.762 1.00 0.00 C ATOM 174 O PRO A 13 62.712 -2.321 12.377 1.00 0.00 O ATOM 175 CB PRO A 13 61.378 -0.908 14.948 1.00 0.00 C ATOM 176 CG PRO A 13 60.607 -2.227 15.193 1.00 0.00 C ATOM 177 CD PRO A 13 59.707 -2.447 13.961 1.00 0.00 C ATOM 0 HA PRO A 13 61.275 0.398 13.189 1.00 0.00 H new ATOM 0 HB2 PRO A 13 62.405 -0.986 15.305 1.00 0.00 H new ATOM 0 HB3 PRO A 13 60.915 -0.082 15.487 1.00 0.00 H new ATOM 0 HG2 PRO A 13 61.297 -3.061 15.322 1.00 0.00 H new ATOM 0 HG3 PRO A 13 60.010 -2.163 16.103 1.00 0.00 H new ATOM 0 HD2 PRO A 13 59.807 -3.459 13.570 1.00 0.00 H new ATOM 0 HD3 PRO A 13 58.655 -2.303 14.205 1.00 0.00 H new ATOM 185 N GLY A 14 63.602 -0.326 12.610 1.00 0.00 N ATOM 186 CA GLY A 14 64.868 -0.762 11.954 1.00 0.00 C ATOM 187 C GLY A 14 64.803 -0.437 10.460 1.00 0.00 C ATOM 188 O GLY A 14 65.426 0.494 9.989 1.00 0.00 O ATOM 0 H GLY A 14 63.583 0.648 12.912 1.00 0.00 H new ATOM 0 HA2 GLY A 14 65.720 -0.258 12.411 1.00 0.00 H new ATOM 0 HA3 GLY A 14 65.016 -1.832 12.099 1.00 0.00 H new ATOM 192 N TRP A 15 64.050 -1.197 9.711 1.00 0.00 N ATOM 193 CA TRP A 15 63.939 -0.932 8.249 1.00 0.00 C ATOM 194 C TRP A 15 63.762 0.572 8.019 1.00 0.00 C ATOM 195 O TRP A 15 62.844 1.182 8.528 1.00 0.00 O ATOM 196 CB TRP A 15 62.728 -1.684 7.694 1.00 0.00 C ATOM 197 CG TRP A 15 62.914 -1.935 6.232 1.00 0.00 C ATOM 198 CD1 TRP A 15 62.189 -1.359 5.246 1.00 0.00 C ATOM 199 CD2 TRP A 15 63.867 -2.819 5.577 1.00 0.00 C ATOM 200 NE1 TRP A 15 62.640 -1.834 4.027 1.00 0.00 N ATOM 201 CE2 TRP A 15 63.673 -2.735 4.179 1.00 0.00 C ATOM 202 CE3 TRP A 15 64.872 -3.675 6.057 1.00 0.00 C ATOM 203 CZ2 TRP A 15 64.449 -3.476 3.288 1.00 0.00 C ATOM 204 CZ3 TRP A 15 65.656 -4.423 5.164 1.00 0.00 C ATOM 205 CH2 TRP A 15 65.444 -4.323 3.782 1.00 0.00 C ATOM 0 H TRP A 15 63.506 -1.991 10.050 1.00 0.00 H new ATOM 0 HA TRP A 15 64.842 -1.271 7.741 1.00 0.00 H new ATOM 0 HB2 TRP A 15 62.603 -2.630 8.222 1.00 0.00 H new ATOM 0 HB3 TRP A 15 61.821 -1.103 7.860 1.00 0.00 H new ATOM 0 HD1 TRP A 15 61.390 -0.646 5.387 1.00 0.00 H new ATOM 0 HE1 TRP A 15 62.255 -1.552 3.125 1.00 0.00 H new ATOM 0 HE3 TRP A 15 65.043 -3.758 7.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 64.282 -3.396 2.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 66.426 -5.078 5.544 1.00 0.00 H new ATOM 0 HH2 TRP A 15 66.050 -4.901 3.099 1.00 0.00 H new ATOM 216 N LYS A 16 64.636 1.176 7.258 1.00 0.00 N ATOM 217 CA LYS A 16 64.513 2.640 7.004 1.00 0.00 C ATOM 218 C LYS A 16 63.802 2.873 5.669 1.00 0.00 C ATOM 219 O LYS A 16 64.352 2.633 4.613 1.00 0.00 O ATOM 220 CB LYS A 16 65.908 3.268 6.953 1.00 0.00 C ATOM 221 CG LYS A 16 66.624 3.037 8.285 1.00 0.00 C ATOM 222 CD LYS A 16 65.851 3.730 9.408 1.00 0.00 C ATOM 223 CE LYS A 16 66.795 4.016 10.578 1.00 0.00 C ATOM 224 NZ LYS A 16 66.446 5.330 11.187 1.00 0.00 N ATOM 0 H LYS A 16 65.427 0.720 6.803 1.00 0.00 H new ATOM 0 HA LYS A 16 63.935 3.098 7.807 1.00 0.00 H new ATOM 0 HB2 LYS A 16 66.485 2.831 6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 16 65.830 4.336 6.751 1.00 0.00 H new ATOM 0 HG2 LYS A 16 66.701 1.969 8.488 1.00 0.00 H new ATOM 0 HG3 LYS A 16 67.641 3.426 8.235 1.00 0.00 H new ATOM 0 HD2 LYS A 16 65.415 4.660 9.043 1.00 0.00 H new ATOM 0 HD3 LYS A 16 65.026 3.099 9.739 1.00 0.00 H new ATOM 0 HE2 LYS A 16 66.717 3.225 11.324 1.00 0.00 H new ATOM 0 HE3 LYS A 16 67.828 4.027 10.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 67.087 5.525 11.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 66.542 6.080 10.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 65.465 5.303 11.532 1.00 0.00 H new ATOM 238 N ARG A 17 62.584 3.341 5.706 1.00 0.00 N ATOM 239 CA ARG A 17 61.845 3.590 4.437 1.00 0.00 C ATOM 240 C ARG A 17 62.167 4.999 3.929 1.00 0.00 C ATOM 241 O ARG A 17 61.708 5.984 4.473 1.00 0.00 O ATOM 242 CB ARG A 17 60.339 3.471 4.688 1.00 0.00 C ATOM 243 CG ARG A 17 59.624 3.146 3.374 1.00 0.00 C ATOM 244 CD ARG A 17 58.728 1.920 3.567 1.00 0.00 C ATOM 245 NE ARG A 17 59.502 0.686 3.250 1.00 0.00 N ATOM 246 CZ ARG A 17 58.882 -0.451 3.083 1.00 0.00 C ATOM 247 NH1 ARG A 17 57.595 -0.533 3.282 1.00 0.00 N ATOM 248 NH2 ARG A 17 59.550 -1.509 2.714 1.00 0.00 N ATOM 0 H ARG A 17 62.070 3.561 6.559 1.00 0.00 H new ATOM 0 HA ARG A 17 62.147 2.855 3.691 1.00 0.00 H new ATOM 0 HB2 ARG A 17 60.143 2.690 5.423 1.00 0.00 H new ATOM 0 HB3 ARG A 17 59.954 4.403 5.102 1.00 0.00 H new ATOM 0 HG2 ARG A 17 59.026 3.999 3.053 1.00 0.00 H new ATOM 0 HG3 ARG A 17 60.355 2.955 2.588 1.00 0.00 H new ATOM 0 HD2 ARG A 17 58.364 1.880 4.593 1.00 0.00 H new ATOM 0 HD3 ARG A 17 57.853 1.990 2.921 1.00 0.00 H new ATOM 0 HE ARG A 17 60.517 0.730 3.163 1.00 0.00 H new ATOM 0 HH11 ARG A 17 57.070 0.293 3.569 1.00 0.00 H new ATOM 0 HH12 ARG A 17 57.114 -1.423 3.150 1.00 0.00 H new ATOM 0 HH21 ARG A 17 60.556 -1.448 2.556 1.00 0.00 H new ATOM 0 HH22 ARG A 17 59.066 -2.398 2.583 1.00 0.00 H new ATOM 262 N ARG A 18 62.956 5.103 2.894 1.00 0.00 N ATOM 263 CA ARG A 18 63.309 6.449 2.357 1.00 0.00 C ATOM 264 C ARG A 18 62.447 6.759 1.131 1.00 0.00 C ATOM 265 O ARG A 18 62.085 5.879 0.374 1.00 0.00 O ATOM 266 CB ARG A 18 64.786 6.467 1.958 1.00 0.00 C ATOM 267 CG ARG A 18 65.099 7.760 1.200 1.00 0.00 C ATOM 268 CD ARG A 18 66.475 7.647 0.542 1.00 0.00 C ATOM 269 NE ARG A 18 66.403 8.167 -0.853 1.00 0.00 N ATOM 270 CZ ARG A 18 67.277 7.779 -1.741 1.00 0.00 C ATOM 271 NH1 ARG A 18 67.211 6.574 -2.237 1.00 0.00 N ATOM 272 NH2 ARG A 18 68.216 8.596 -2.132 1.00 0.00 N ATOM 0 H ARG A 18 63.371 4.315 2.397 1.00 0.00 H new ATOM 0 HA ARG A 18 63.128 7.202 3.125 1.00 0.00 H new ATOM 0 HB2 ARG A 18 65.414 6.393 2.846 1.00 0.00 H new ATOM 0 HB3 ARG A 18 65.015 5.603 1.334 1.00 0.00 H new ATOM 0 HG2 ARG A 18 64.336 7.944 0.443 1.00 0.00 H new ATOM 0 HG3 ARG A 18 65.080 8.608 1.884 1.00 0.00 H new ATOM 0 HD2 ARG A 18 67.211 8.212 1.114 1.00 0.00 H new ATOM 0 HD3 ARG A 18 66.804 6.608 0.538 1.00 0.00 H new ATOM 0 HE ARG A 18 65.670 8.827 -1.114 1.00 0.00 H new ATOM 0 HH11 ARG A 18 66.477 5.936 -1.931 1.00 0.00 H new ATOM 0 HH12 ARG A 18 67.894 6.270 -2.931 1.00 0.00 H new ATOM 0 HH21 ARG A 18 68.267 9.538 -1.744 1.00 0.00 H new ATOM 0 HH22 ARG A 18 68.899 8.293 -2.826 1.00 0.00 H new ATOM 286 N GLU A 19 62.123 8.008 0.926 1.00 0.00 N ATOM 287 CA GLU A 19 61.291 8.383 -0.252 1.00 0.00 C ATOM 288 C GLU A 19 62.104 9.294 -1.174 1.00 0.00 C ATOM 289 O GLU A 19 63.024 9.962 -0.746 1.00 0.00 O ATOM 290 CB GLU A 19 60.039 9.125 0.222 1.00 0.00 C ATOM 291 CG GLU A 19 60.436 10.492 0.783 1.00 0.00 C ATOM 292 CD GLU A 19 59.179 11.332 1.017 1.00 0.00 C ATOM 293 OE1 GLU A 19 58.097 10.772 0.956 1.00 0.00 O ATOM 294 OE2 GLU A 19 59.320 12.520 1.254 1.00 0.00 O ATOM 0 H GLU A 19 62.400 8.786 1.525 1.00 0.00 H new ATOM 0 HA GLU A 19 60.996 7.483 -0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 19 59.342 9.249 -0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 19 59.526 8.542 0.986 1.00 0.00 H new ATOM 0 HG2 GLU A 19 60.983 10.368 1.718 1.00 0.00 H new ATOM 0 HG3 GLU A 19 61.103 11.002 0.088 1.00 0.00 H new ATOM 301 N VAL A 20 61.774 9.329 -2.436 1.00 0.00 N ATOM 302 CA VAL A 20 62.533 10.199 -3.379 1.00 0.00 C ATOM 303 C VAL A 20 61.561 10.851 -4.363 1.00 0.00 C ATOM 304 O VAL A 20 60.593 10.251 -4.785 1.00 0.00 O ATOM 305 CB VAL A 20 63.553 9.357 -4.151 1.00 0.00 C ATOM 306 CG1 VAL A 20 64.771 10.218 -4.490 1.00 0.00 C ATOM 307 CG2 VAL A 20 63.995 8.169 -3.292 1.00 0.00 C ATOM 0 H VAL A 20 61.013 8.794 -2.855 1.00 0.00 H new ATOM 0 HA VAL A 20 63.056 10.972 -2.816 1.00 0.00 H new ATOM 0 HB VAL A 20 63.096 8.990 -5.070 1.00 0.00 H new ATOM 0 HG11 VAL A 20 65.498 9.620 -5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 20 64.459 11.064 -5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 20 65.225 10.585 -3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 20 64.721 7.571 -3.843 1.00 0.00 H new ATOM 0 HG22 VAL A 20 64.451 8.535 -2.372 1.00 0.00 H new ATOM 0 HG23 VAL A 20 63.129 7.554 -3.048 1.00 0.00 H new ATOM 317 N PHE A 21 61.811 12.077 -4.731 1.00 0.00 N ATOM 318 CA PHE A 21 60.901 12.768 -5.687 1.00 0.00 C ATOM 319 C PHE A 21 61.620 12.966 -7.023 1.00 0.00 C ATOM 320 O PHE A 21 61.504 13.998 -7.653 1.00 0.00 O ATOM 321 CB PHE A 21 60.500 14.129 -5.115 1.00 0.00 C ATOM 322 CG PHE A 21 61.654 14.709 -4.331 1.00 0.00 C ATOM 323 CD1 PHE A 21 62.639 15.460 -4.986 1.00 0.00 C ATOM 324 CD2 PHE A 21 61.738 14.498 -2.950 1.00 0.00 C ATOM 325 CE1 PHE A 21 63.707 15.998 -4.259 1.00 0.00 C ATOM 326 CE2 PHE A 21 62.807 15.036 -2.223 1.00 0.00 C ATOM 327 CZ PHE A 21 63.791 15.786 -2.878 1.00 0.00 C ATOM 0 H PHE A 21 62.606 12.630 -4.411 1.00 0.00 H new ATOM 0 HA PHE A 21 60.008 12.162 -5.842 1.00 0.00 H new ATOM 0 HB2 PHE A 21 60.219 14.806 -5.922 1.00 0.00 H new ATOM 0 HB3 PHE A 21 59.627 14.021 -4.471 1.00 0.00 H new ATOM 0 HD1 PHE A 21 62.574 15.624 -6.052 1.00 0.00 H new ATOM 0 HD2 PHE A 21 60.978 13.920 -2.445 1.00 0.00 H new ATOM 0 HE1 PHE A 21 64.466 16.577 -4.764 1.00 0.00 H new ATOM 0 HE2 PHE A 21 62.872 14.872 -1.157 1.00 0.00 H new ATOM 0 HZ PHE A 21 64.615 16.201 -2.317 1.00 0.00 H new ATOM 337 N ARG A 22 62.362 11.985 -7.459 1.00 0.00 N ATOM 338 CA ARG A 22 63.088 12.118 -8.754 1.00 0.00 C ATOM 339 C ARG A 22 64.062 13.295 -8.670 1.00 0.00 C ATOM 340 O ARG A 22 65.246 13.119 -8.462 1.00 0.00 O ATOM 341 CB ARG A 22 62.084 12.365 -9.882 1.00 0.00 C ATOM 342 CG ARG A 22 61.405 11.046 -10.258 1.00 0.00 C ATOM 343 CD ARG A 22 60.435 11.282 -11.417 1.00 0.00 C ATOM 344 NE ARG A 22 61.203 11.429 -12.686 1.00 0.00 N ATOM 345 CZ ARG A 22 60.637 11.153 -13.829 1.00 0.00 C ATOM 346 NH1 ARG A 22 59.345 10.983 -13.893 1.00 0.00 N ATOM 347 NH2 ARG A 22 61.363 11.048 -14.908 1.00 0.00 N ATOM 0 H ARG A 22 62.497 11.097 -6.975 1.00 0.00 H new ATOM 0 HA ARG A 22 63.640 11.201 -8.957 1.00 0.00 H new ATOM 0 HB2 ARG A 22 61.337 13.094 -9.566 1.00 0.00 H new ATOM 0 HB3 ARG A 22 62.592 12.785 -10.750 1.00 0.00 H new ATOM 0 HG2 ARG A 22 62.154 10.307 -10.542 1.00 0.00 H new ATOM 0 HG3 ARG A 22 60.870 10.643 -9.398 1.00 0.00 H new ATOM 0 HD2 ARG A 22 59.737 10.449 -11.496 1.00 0.00 H new ATOM 0 HD3 ARG A 22 59.842 12.178 -11.232 1.00 0.00 H new ATOM 0 HE ARG A 22 62.172 11.746 -12.661 1.00 0.00 H new ATOM 0 HH11 ARG A 22 58.777 11.066 -13.050 1.00 0.00 H new ATOM 0 HH12 ARG A 22 58.903 10.767 -14.786 1.00 0.00 H new ATOM 0 HH21 ARG A 22 62.373 11.182 -14.858 1.00 0.00 H new ATOM 0 HH22 ARG A 22 60.921 10.832 -15.801 1.00 0.00 H new ATOM 361 N LYS A 23 63.573 14.494 -8.828 1.00 0.00 N ATOM 362 CA LYS A 23 64.470 15.681 -8.755 1.00 0.00 C ATOM 363 C LYS A 23 63.661 16.903 -8.315 1.00 0.00 C ATOM 364 O LYS A 23 62.525 16.789 -7.900 1.00 0.00 O ATOM 365 CB LYS A 23 65.084 15.944 -10.132 1.00 0.00 C ATOM 366 CG LYS A 23 66.367 15.124 -10.286 1.00 0.00 C ATOM 367 CD LYS A 23 67.505 16.036 -10.746 1.00 0.00 C ATOM 368 CE LYS A 23 68.199 15.416 -11.959 1.00 0.00 C ATOM 369 NZ LYS A 23 69.520 16.075 -12.166 1.00 0.00 N ATOM 0 H LYS A 23 62.590 14.703 -9.005 1.00 0.00 H new ATOM 0 HA LYS A 23 65.265 15.492 -8.034 1.00 0.00 H new ATOM 0 HB2 LYS A 23 64.374 15.678 -10.915 1.00 0.00 H new ATOM 0 HB3 LYS A 23 65.303 17.006 -10.247 1.00 0.00 H new ATOM 0 HG2 LYS A 23 66.626 14.653 -9.338 1.00 0.00 H new ATOM 0 HG3 LYS A 23 66.214 14.323 -11.009 1.00 0.00 H new ATOM 0 HD2 LYS A 23 67.115 17.021 -11.002 1.00 0.00 H new ATOM 0 HD3 LYS A 23 68.222 16.177 -9.937 1.00 0.00 H new ATOM 0 HE2 LYS A 23 68.335 14.345 -11.806 1.00 0.00 H new ATOM 0 HE3 LYS A 23 67.578 15.535 -12.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 69.993 15.654 -12.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 69.379 17.092 -12.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 70.112 15.939 -11.322 1.00 0.00 H new ATOM 383 N SER A 24 64.235 18.071 -8.404 1.00 0.00 N ATOM 384 CA SER A 24 63.495 19.297 -7.990 1.00 0.00 C ATOM 385 C SER A 24 62.549 19.724 -9.115 1.00 0.00 C ATOM 386 O SER A 24 62.960 19.931 -10.239 1.00 0.00 O ATOM 387 CB SER A 24 64.489 20.421 -7.701 1.00 0.00 C ATOM 388 OG SER A 24 65.544 20.372 -8.653 1.00 0.00 O ATOM 0 H SER A 24 65.183 18.230 -8.745 1.00 0.00 H new ATOM 0 HA SER A 24 62.917 19.087 -7.090 1.00 0.00 H new ATOM 0 HB2 SER A 24 63.987 21.387 -7.747 1.00 0.00 H new ATOM 0 HB3 SER A 24 64.889 20.318 -6.692 1.00 0.00 H new ATOM 0 HG SER A 24 65.172 20.212 -9.545 1.00 0.00 H new ATOM 394 N GLY A 25 61.285 19.856 -8.820 1.00 0.00 N ATOM 395 CA GLY A 25 60.311 20.267 -9.872 1.00 0.00 C ATOM 396 C GLY A 25 59.205 19.217 -9.980 1.00 0.00 C ATOM 397 O GLY A 25 59.394 18.158 -10.545 1.00 0.00 O ATOM 0 H GLY A 25 60.884 19.697 -7.896 1.00 0.00 H new ATOM 0 HA2 GLY A 25 59.882 21.239 -9.626 1.00 0.00 H new ATOM 0 HA3 GLY A 25 60.819 20.376 -10.830 1.00 0.00 H new ATOM 401 N ALA A 26 58.051 19.499 -9.438 1.00 0.00 N ATOM 402 CA ALA A 26 56.934 18.515 -9.505 1.00 0.00 C ATOM 403 C ALA A 26 56.125 18.740 -10.784 1.00 0.00 C ATOM 404 O ALA A 26 55.842 19.859 -11.163 1.00 0.00 O ATOM 405 CB ALA A 26 56.024 18.696 -8.288 1.00 0.00 C ATOM 0 H ALA A 26 57.834 20.369 -8.952 1.00 0.00 H new ATOM 0 HA ALA A 26 57.342 17.504 -9.510 1.00 0.00 H new ATOM 0 HB1 ALA A 26 55.206 17.977 -8.335 1.00 0.00 H new ATOM 0 HB2 ALA A 26 56.599 18.533 -7.376 1.00 0.00 H new ATOM 0 HB3 ALA A 26 55.618 19.708 -8.284 1.00 0.00 H new ATOM 411 N THR A 27 55.749 17.683 -11.451 1.00 0.00 N ATOM 412 CA THR A 27 54.956 17.833 -12.705 1.00 0.00 C ATOM 413 C THR A 27 53.783 16.851 -12.685 1.00 0.00 C ATOM 414 O THR A 27 52.661 17.203 -12.989 1.00 0.00 O ATOM 415 CB THR A 27 55.848 17.537 -13.914 1.00 0.00 C ATOM 416 OG1 THR A 27 57.052 16.924 -13.475 1.00 0.00 O ATOM 417 CG2 THR A 27 56.172 18.843 -14.641 1.00 0.00 C ATOM 0 H THR A 27 55.957 16.721 -11.182 1.00 0.00 H new ATOM 0 HA THR A 27 54.577 18.853 -12.775 1.00 0.00 H new ATOM 0 HB THR A 27 55.327 16.864 -14.595 1.00 0.00 H new ATOM 0 HG1 THR A 27 57.623 16.733 -14.248 1.00 0.00 H new ATOM 0 HG21 THR A 27 56.807 18.633 -15.502 1.00 0.00 H new ATOM 0 HG22 THR A 27 55.247 19.311 -14.978 1.00 0.00 H new ATOM 0 HG23 THR A 27 56.693 19.518 -13.962 1.00 0.00 H new ATOM 425 N CYS A 28 54.034 15.621 -12.329 1.00 0.00 N ATOM 426 CA CYS A 28 52.934 14.617 -12.290 1.00 0.00 C ATOM 427 C CYS A 28 53.090 13.741 -11.046 1.00 0.00 C ATOM 428 O CYS A 28 53.018 12.530 -11.113 1.00 0.00 O ATOM 429 CB CYS A 28 52.999 13.742 -13.542 1.00 0.00 C ATOM 430 SG CYS A 28 53.324 14.782 -14.987 1.00 0.00 S ATOM 0 H CYS A 28 54.953 15.268 -12.063 1.00 0.00 H new ATOM 0 HA CYS A 28 51.973 15.130 -12.255 1.00 0.00 H new ATOM 0 HB2 CYS A 28 53.784 12.993 -13.435 1.00 0.00 H new ATOM 0 HB3 CYS A 28 52.060 13.203 -13.672 1.00 0.00 H new ATOM 0 HG CYS A 28 53.382 14.039 -16.052 1.00 0.00 H new ATOM 436 N GLY A 29 53.305 14.346 -9.909 1.00 0.00 N ATOM 437 CA GLY A 29 53.466 13.549 -8.661 1.00 0.00 C ATOM 438 C GLY A 29 54.489 12.436 -8.892 1.00 0.00 C ATOM 439 O GLY A 29 55.563 12.665 -9.412 1.00 0.00 O ATOM 0 H GLY A 29 53.376 15.357 -9.791 1.00 0.00 H new ATOM 0 HA2 GLY A 29 53.793 14.194 -7.845 1.00 0.00 H new ATOM 0 HA3 GLY A 29 52.508 13.121 -8.365 1.00 0.00 H new ATOM 443 N ARG A 30 54.164 11.232 -8.512 1.00 0.00 N ATOM 444 CA ARG A 30 55.117 10.105 -8.710 1.00 0.00 C ATOM 445 C ARG A 30 56.363 10.330 -7.853 1.00 0.00 C ATOM 446 O ARG A 30 56.710 11.447 -7.524 1.00 0.00 O ATOM 447 CB ARG A 30 55.520 10.029 -10.184 1.00 0.00 C ATOM 448 CG ARG A 30 56.377 8.783 -10.415 1.00 0.00 C ATOM 449 CD ARG A 30 55.494 7.535 -10.347 1.00 0.00 C ATOM 450 NE ARG A 30 55.961 6.541 -11.355 1.00 0.00 N ATOM 451 CZ ARG A 30 57.193 6.111 -11.325 1.00 0.00 C ATOM 452 NH1 ARG A 30 57.521 5.122 -10.541 1.00 0.00 N ATOM 453 NH2 ARG A 30 58.097 6.671 -12.081 1.00 0.00 N ATOM 0 H ARG A 30 53.279 10.980 -8.073 1.00 0.00 H new ATOM 0 HA ARG A 30 54.638 9.171 -8.415 1.00 0.00 H new ATOM 0 HB2 ARG A 30 54.631 9.994 -10.814 1.00 0.00 H new ATOM 0 HB3 ARG A 30 56.076 10.923 -10.467 1.00 0.00 H new ATOM 0 HG2 ARG A 30 56.868 8.841 -11.386 1.00 0.00 H new ATOM 0 HG3 ARG A 30 57.164 8.726 -9.663 1.00 0.00 H new ATOM 0 HD2 ARG A 30 55.534 7.102 -9.348 1.00 0.00 H new ATOM 0 HD3 ARG A 30 54.454 7.801 -10.537 1.00 0.00 H new ATOM 0 HE ARG A 30 55.318 6.197 -12.068 1.00 0.00 H new ATOM 0 HH11 ARG A 30 56.814 4.684 -9.950 1.00 0.00 H new ATOM 0 HH12 ARG A 30 58.484 4.787 -10.518 1.00 0.00 H new ATOM 0 HH21 ARG A 30 57.841 7.444 -12.695 1.00 0.00 H new ATOM 0 HH22 ARG A 30 59.060 6.336 -12.058 1.00 0.00 H new ATOM 467 N SER A 31 57.039 9.275 -7.488 1.00 0.00 N ATOM 468 CA SER A 31 58.263 9.424 -6.652 1.00 0.00 C ATOM 469 C SER A 31 58.887 8.048 -6.417 1.00 0.00 C ATOM 470 O SER A 31 58.209 7.099 -6.075 1.00 0.00 O ATOM 471 CB SER A 31 57.890 10.051 -5.309 1.00 0.00 C ATOM 472 OG SER A 31 56.488 9.928 -5.107 1.00 0.00 O ATOM 0 H SER A 31 56.796 8.315 -7.733 1.00 0.00 H new ATOM 0 HA SER A 31 58.979 10.066 -7.165 1.00 0.00 H new ATOM 0 HB2 SER A 31 58.430 9.557 -4.501 1.00 0.00 H new ATOM 0 HB3 SER A 31 58.181 11.101 -5.291 1.00 0.00 H new ATOM 0 HG SER A 31 56.245 10.328 -4.246 1.00 0.00 H new ATOM 478 N ASP A 32 60.174 7.930 -6.597 1.00 0.00 N ATOM 479 CA ASP A 32 60.838 6.615 -6.382 1.00 0.00 C ATOM 480 C ASP A 32 61.058 6.399 -4.884 1.00 0.00 C ATOM 481 O ASP A 32 61.089 7.336 -4.112 1.00 0.00 O ATOM 482 CB ASP A 32 62.186 6.599 -7.106 1.00 0.00 C ATOM 483 CG ASP A 32 62.077 7.398 -8.406 1.00 0.00 C ATOM 484 OD1 ASP A 32 61.014 7.377 -9.003 1.00 0.00 O ATOM 485 OD2 ASP A 32 63.059 8.016 -8.783 1.00 0.00 O ATOM 0 H ASP A 32 60.794 8.688 -6.884 1.00 0.00 H new ATOM 0 HA ASP A 32 60.208 5.818 -6.776 1.00 0.00 H new ATOM 0 HB2 ASP A 32 62.959 7.027 -6.467 1.00 0.00 H new ATOM 0 HB3 ASP A 32 62.483 5.573 -7.321 1.00 0.00 H new ATOM 490 N THR A 33 61.208 5.173 -4.466 1.00 0.00 N ATOM 491 CA THR A 33 61.423 4.904 -3.017 1.00 0.00 C ATOM 492 C THR A 33 62.475 3.807 -2.849 1.00 0.00 C ATOM 493 O THR A 33 62.534 2.865 -3.614 1.00 0.00 O ATOM 494 CB THR A 33 60.107 4.450 -2.382 1.00 0.00 C ATOM 495 OG1 THR A 33 59.031 5.180 -2.954 1.00 0.00 O ATOM 496 CG2 THR A 33 60.154 4.701 -0.874 1.00 0.00 C ATOM 0 H THR A 33 61.191 4.347 -5.064 1.00 0.00 H new ATOM 0 HA THR A 33 61.769 5.815 -2.528 1.00 0.00 H new ATOM 0 HB THR A 33 59.961 3.386 -2.566 1.00 0.00 H new ATOM 0 HG1 THR A 33 58.187 4.889 -2.550 1.00 0.00 H new ATOM 0 HG21 THR A 33 59.216 4.378 -0.422 1.00 0.00 H new ATOM 0 HG22 THR A 33 60.980 4.140 -0.437 1.00 0.00 H new ATOM 0 HG23 THR A 33 60.299 5.765 -0.687 1.00 0.00 H new ATOM 504 N TYR A 34 63.305 3.922 -1.849 1.00 0.00 N ATOM 505 CA TYR A 34 64.354 2.887 -1.625 1.00 0.00 C ATOM 506 C TYR A 34 64.409 2.539 -0.137 1.00 0.00 C ATOM 507 O TYR A 34 64.092 3.350 0.710 1.00 0.00 O ATOM 508 CB TYR A 34 65.712 3.431 -2.071 1.00 0.00 C ATOM 509 CG TYR A 34 65.592 4.015 -3.457 1.00 0.00 C ATOM 510 CD1 TYR A 34 64.888 5.210 -3.655 1.00 0.00 C ATOM 511 CD2 TYR A 34 66.186 3.364 -4.544 1.00 0.00 C ATOM 512 CE1 TYR A 34 64.779 5.752 -4.941 1.00 0.00 C ATOM 513 CE2 TYR A 34 66.076 3.906 -5.830 1.00 0.00 C ATOM 514 CZ TYR A 34 65.373 5.100 -6.029 1.00 0.00 C ATOM 515 OH TYR A 34 65.265 5.635 -7.296 1.00 0.00 O ATOM 0 H TYR A 34 63.302 4.689 -1.176 1.00 0.00 H new ATOM 0 HA TYR A 34 64.115 1.994 -2.202 1.00 0.00 H new ATOM 0 HB2 TYR A 34 66.057 4.193 -1.373 1.00 0.00 H new ATOM 0 HB3 TYR A 34 66.455 2.633 -2.064 1.00 0.00 H new ATOM 0 HD1 TYR A 34 64.430 5.713 -2.816 1.00 0.00 H new ATOM 0 HD2 TYR A 34 66.729 2.443 -4.391 1.00 0.00 H new ATOM 0 HE1 TYR A 34 64.237 6.673 -5.094 1.00 0.00 H new ATOM 0 HE2 TYR A 34 66.534 3.403 -6.669 1.00 0.00 H new ATOM 0 HH TYR A 34 65.734 5.059 -7.935 1.00 0.00 H new ATOM 525 N TYR A 35 64.807 1.341 0.190 1.00 0.00 N ATOM 526 CA TYR A 35 64.877 0.951 1.625 1.00 0.00 C ATOM 527 C TYR A 35 66.321 0.625 2.001 1.00 0.00 C ATOM 528 O TYR A 35 67.081 0.109 1.205 1.00 0.00 O ATOM 529 CB TYR A 35 64.001 -0.277 1.865 1.00 0.00 C ATOM 530 CG TYR A 35 62.634 -0.036 1.279 1.00 0.00 C ATOM 531 CD1 TYR A 35 62.082 1.250 1.305 1.00 0.00 C ATOM 532 CD2 TYR A 35 61.920 -1.093 0.704 1.00 0.00 C ATOM 533 CE1 TYR A 35 60.817 1.479 0.756 1.00 0.00 C ATOM 534 CE2 TYR A 35 60.653 -0.864 0.156 1.00 0.00 C ATOM 535 CZ TYR A 35 60.102 0.423 0.181 1.00 0.00 C ATOM 536 OH TYR A 35 58.855 0.653 -0.361 1.00 0.00 O ATOM 0 H TYR A 35 65.086 0.617 -0.473 1.00 0.00 H new ATOM 0 HA TYR A 35 64.521 1.778 2.239 1.00 0.00 H new ATOM 0 HB2 TYR A 35 64.455 -1.157 1.409 1.00 0.00 H new ATOM 0 HB3 TYR A 35 63.921 -0.478 2.933 1.00 0.00 H new ATOM 0 HD1 TYR A 35 62.633 2.065 1.749 1.00 0.00 H new ATOM 0 HD2 TYR A 35 62.346 -2.085 0.683 1.00 0.00 H new ATOM 0 HE1 TYR A 35 60.392 2.471 0.776 1.00 0.00 H new ATOM 0 HE2 TYR A 35 60.100 -1.680 -0.286 1.00 0.00 H new ATOM 0 HH TYR A 35 58.207 0.032 0.033 1.00 0.00 H new ATOM 546 N GLN A 36 66.703 0.917 3.213 1.00 0.00 N ATOM 547 CA GLN A 36 68.094 0.621 3.648 1.00 0.00 C ATOM 548 C GLN A 36 68.058 -0.106 4.993 1.00 0.00 C ATOM 549 O GLN A 36 67.501 0.382 5.958 1.00 0.00 O ATOM 550 CB GLN A 36 68.876 1.929 3.794 1.00 0.00 C ATOM 551 CG GLN A 36 70.312 1.619 4.224 1.00 0.00 C ATOM 552 CD GLN A 36 70.962 2.883 4.792 1.00 0.00 C ATOM 553 OE1 GLN A 36 70.638 3.309 5.882 1.00 0.00 O ATOM 554 NE2 GLN A 36 71.875 3.503 4.095 1.00 0.00 N ATOM 0 H GLN A 36 66.110 1.349 3.922 1.00 0.00 H new ATOM 0 HA GLN A 36 68.582 -0.009 2.904 1.00 0.00 H new ATOM 0 HB2 GLN A 36 68.877 2.472 2.849 1.00 0.00 H new ATOM 0 HB3 GLN A 36 68.395 2.572 4.531 1.00 0.00 H new ATOM 0 HG2 GLN A 36 70.315 0.828 4.974 1.00 0.00 H new ATOM 0 HG3 GLN A 36 70.886 1.254 3.373 1.00 0.00 H new ATOM 0 HE21 GLN A 36 72.148 3.146 3.179 1.00 0.00 H new ATOM 0 HE22 GLN A 36 72.316 4.345 4.466 1.00 0.00 H new ATOM 563 N SER A 37 68.647 -1.268 5.067 1.00 0.00 N ATOM 564 CA SER A 37 68.647 -2.019 6.352 1.00 0.00 C ATOM 565 C SER A 37 69.473 -1.243 7.382 1.00 0.00 C ATOM 566 O SER A 37 70.105 -0.260 7.050 1.00 0.00 O ATOM 567 CB SER A 37 69.264 -3.401 6.137 1.00 0.00 C ATOM 568 OG SER A 37 68.275 -4.397 6.363 1.00 0.00 O ATOM 0 H SER A 37 69.127 -1.728 4.294 1.00 0.00 H new ATOM 0 HA SER A 37 67.625 -2.135 6.711 1.00 0.00 H new ATOM 0 HB2 SER A 37 69.655 -3.484 5.123 1.00 0.00 H new ATOM 0 HB3 SER A 37 70.105 -3.546 6.815 1.00 0.00 H new ATOM 0 HG SER A 37 67.384 -3.998 6.280 1.00 0.00 H new ATOM 574 N PRO A 38 69.447 -1.711 8.602 1.00 0.00 N ATOM 575 CA PRO A 38 70.192 -1.083 9.707 1.00 0.00 C ATOM 576 C PRO A 38 71.674 -1.460 9.630 1.00 0.00 C ATOM 577 O PRO A 38 72.459 -1.112 10.490 1.00 0.00 O ATOM 578 CB PRO A 38 69.543 -1.676 10.959 1.00 0.00 C ATOM 579 CG PRO A 38 68.878 -3.002 10.519 1.00 0.00 C ATOM 580 CD PRO A 38 68.673 -2.906 8.995 1.00 0.00 C ATOM 0 HA PRO A 38 70.153 0.006 9.688 1.00 0.00 H new ATOM 0 HB2 PRO A 38 70.287 -1.854 11.735 1.00 0.00 H new ATOM 0 HB3 PRO A 38 68.805 -0.991 11.376 1.00 0.00 H new ATOM 0 HG2 PRO A 38 69.508 -3.854 10.772 1.00 0.00 H new ATOM 0 HG3 PRO A 38 67.926 -3.146 11.030 1.00 0.00 H new ATOM 0 HD2 PRO A 38 69.035 -3.800 8.487 1.00 0.00 H new ATOM 0 HD3 PRO A 38 67.618 -2.799 8.741 1.00 0.00 H new ATOM 588 N THR A 39 72.060 -2.171 8.607 1.00 0.00 N ATOM 589 CA THR A 39 73.489 -2.574 8.475 1.00 0.00 C ATOM 590 C THR A 39 74.118 -1.839 7.290 1.00 0.00 C ATOM 591 O THR A 39 75.324 -1.758 7.167 1.00 0.00 O ATOM 592 CB THR A 39 73.573 -4.084 8.238 1.00 0.00 C ATOM 593 OG1 THR A 39 73.479 -4.349 6.845 1.00 0.00 O ATOM 594 CG2 THR A 39 72.427 -4.785 8.970 1.00 0.00 C ATOM 0 H THR A 39 71.448 -2.491 7.856 1.00 0.00 H new ATOM 0 HA THR A 39 74.025 -2.318 9.389 1.00 0.00 H new ATOM 0 HB THR A 39 74.524 -4.458 8.617 1.00 0.00 H new ATOM 0 HG1 THR A 39 73.534 -5.315 6.691 1.00 0.00 H new ATOM 0 HG21 THR A 39 72.490 -5.860 8.799 1.00 0.00 H new ATOM 0 HG22 THR A 39 72.500 -4.582 10.039 1.00 0.00 H new ATOM 0 HG23 THR A 39 71.474 -4.413 8.594 1.00 0.00 H new ATOM 602 N GLY A 40 73.311 -1.304 6.415 1.00 0.00 N ATOM 603 CA GLY A 40 73.865 -0.576 5.238 1.00 0.00 C ATOM 604 C GLY A 40 73.383 -1.243 3.948 1.00 0.00 C ATOM 605 O GLY A 40 73.788 -0.877 2.862 1.00 0.00 O ATOM 0 H GLY A 40 72.293 -1.339 6.464 1.00 0.00 H new ATOM 0 HA2 GLY A 40 73.548 0.467 5.261 1.00 0.00 H new ATOM 0 HA3 GLY A 40 74.954 -0.579 5.276 1.00 0.00 H new ATOM 609 N ASP A 41 72.521 -2.218 4.055 1.00 0.00 N ATOM 610 CA ASP A 41 72.017 -2.902 2.831 1.00 0.00 C ATOM 611 C ASP A 41 71.012 -1.994 2.120 1.00 0.00 C ATOM 612 O ASP A 41 70.166 -1.381 2.741 1.00 0.00 O ATOM 613 CB ASP A 41 71.332 -4.213 3.223 1.00 0.00 C ATOM 614 CG ASP A 41 71.476 -5.226 2.085 1.00 0.00 C ATOM 615 OD1 ASP A 41 71.513 -4.801 0.942 1.00 0.00 O ATOM 616 OD2 ASP A 41 71.548 -6.408 2.375 1.00 0.00 O ATOM 0 H ASP A 41 72.145 -2.569 4.936 1.00 0.00 H new ATOM 0 HA ASP A 41 72.852 -3.115 2.163 1.00 0.00 H new ATOM 0 HB2 ASP A 41 71.778 -4.610 4.135 1.00 0.00 H new ATOM 0 HB3 ASP A 41 70.278 -4.035 3.434 1.00 0.00 H new ATOM 621 N ARG A 42 71.097 -1.901 0.821 1.00 0.00 N ATOM 622 CA ARG A 42 70.146 -1.032 0.072 1.00 0.00 C ATOM 623 C ARG A 42 69.376 -1.882 -0.942 1.00 0.00 C ATOM 624 O ARG A 42 69.947 -2.446 -1.853 1.00 0.00 O ATOM 625 CB ARG A 42 70.927 0.062 -0.659 1.00 0.00 C ATOM 626 CG ARG A 42 70.547 1.430 -0.087 1.00 0.00 C ATOM 627 CD ARG A 42 71.802 2.294 0.047 1.00 0.00 C ATOM 628 NE ARG A 42 72.303 2.658 -1.308 1.00 0.00 N ATOM 629 CZ ARG A 42 73.486 3.193 -1.443 1.00 0.00 C ATOM 630 NH1 ARG A 42 73.828 4.212 -0.702 1.00 0.00 N ATOM 631 NH2 ARG A 42 74.325 2.712 -2.318 1.00 0.00 N ATOM 0 H ARG A 42 71.784 -2.389 0.246 1.00 0.00 H new ATOM 0 HA ARG A 42 69.443 -0.571 0.766 1.00 0.00 H new ATOM 0 HB2 ARG A 42 71.998 -0.105 -0.548 1.00 0.00 H new ATOM 0 HB3 ARG A 42 70.708 0.029 -1.726 1.00 0.00 H new ATOM 0 HG2 ARG A 42 69.823 1.920 -0.738 1.00 0.00 H new ATOM 0 HG3 ARG A 42 70.070 1.309 0.886 1.00 0.00 H new ATOM 0 HD2 ARG A 42 71.576 3.195 0.617 1.00 0.00 H new ATOM 0 HD3 ARG A 42 72.572 1.753 0.597 1.00 0.00 H new ATOM 0 HE ARG A 42 71.722 2.489 -2.129 1.00 0.00 H new ATOM 0 HH11 ARG A 42 73.171 4.589 -0.019 1.00 0.00 H new ATOM 0 HH12 ARG A 42 74.752 4.631 -0.806 1.00 0.00 H new ATOM 0 HH21 ARG A 42 74.057 1.917 -2.898 1.00 0.00 H new ATOM 0 HH22 ARG A 42 75.249 3.131 -2.422 1.00 0.00 H new ATOM 645 N ILE A 43 68.083 -1.985 -0.786 1.00 0.00 N ATOM 646 CA ILE A 43 67.281 -2.806 -1.737 1.00 0.00 C ATOM 647 C ILE A 43 66.183 -1.950 -2.366 1.00 0.00 C ATOM 648 O ILE A 43 65.717 -0.991 -1.783 1.00 0.00 O ATOM 649 CB ILE A 43 66.633 -3.968 -0.986 1.00 0.00 C ATOM 650 CG1 ILE A 43 67.715 -4.802 -0.298 1.00 0.00 C ATOM 651 CG2 ILE A 43 65.864 -4.847 -1.973 1.00 0.00 C ATOM 652 CD1 ILE A 43 67.305 -5.073 1.149 1.00 0.00 C ATOM 0 H ILE A 43 67.549 -1.536 -0.042 1.00 0.00 H new ATOM 0 HA ILE A 43 67.939 -3.187 -2.518 1.00 0.00 H new ATOM 0 HB ILE A 43 65.947 -3.575 -0.236 1.00 0.00 H new ATOM 0 HG12 ILE A 43 67.857 -5.743 -0.829 1.00 0.00 H new ATOM 0 HG13 ILE A 43 68.668 -4.274 -0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 43 65.401 -5.676 -1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 43 65.091 -4.254 -2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 43 66.551 -5.238 -2.724 1.00 0.00 H new ATOM 0 HD11 ILE A 43 68.075 -5.667 1.640 1.00 0.00 H new ATOM 0 HD12 ILE A 43 67.185 -4.127 1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 43 66.361 -5.619 1.164 1.00 0.00 H new ATOM 664 N ARG A 44 65.758 -2.295 -3.550 1.00 0.00 N ATOM 665 CA ARG A 44 64.682 -1.506 -4.210 1.00 0.00 C ATOM 666 C ARG A 44 63.563 -2.440 -4.678 1.00 0.00 C ATOM 667 O ARG A 44 62.431 -2.028 -4.834 1.00 0.00 O ATOM 668 CB ARG A 44 65.253 -0.749 -5.408 1.00 0.00 C ATOM 669 CG ARG A 44 64.576 0.618 -5.494 1.00 0.00 C ATOM 670 CD ARG A 44 64.733 1.185 -6.906 1.00 0.00 C ATOM 671 NE ARG A 44 63.680 2.213 -7.147 1.00 0.00 N ATOM 672 CZ ARG A 44 62.524 1.862 -7.642 1.00 0.00 C ATOM 673 NH1 ARG A 44 62.367 1.778 -8.935 1.00 0.00 N ATOM 674 NH2 ARG A 44 61.526 1.596 -6.846 1.00 0.00 N ATOM 0 H ARG A 44 66.109 -3.088 -4.088 1.00 0.00 H new ATOM 0 HA ARG A 44 64.277 -0.791 -3.494 1.00 0.00 H new ATOM 0 HB2 ARG A 44 66.331 -0.630 -5.301 1.00 0.00 H new ATOM 0 HB3 ARG A 44 65.084 -1.312 -6.326 1.00 0.00 H new ATOM 0 HG2 ARG A 44 63.519 0.527 -5.244 1.00 0.00 H new ATOM 0 HG3 ARG A 44 65.018 1.299 -4.767 1.00 0.00 H new ATOM 0 HD2 ARG A 44 65.722 1.627 -7.024 1.00 0.00 H new ATOM 0 HD3 ARG A 44 64.651 0.385 -7.642 1.00 0.00 H new ATOM 0 HE ARG A 44 63.863 3.192 -6.925 1.00 0.00 H new ATOM 0 HH11 ARG A 44 63.147 1.986 -9.558 1.00 0.00 H new ATOM 0 HH12 ARG A 44 61.464 1.504 -9.322 1.00 0.00 H new ATOM 0 HH21 ARG A 44 61.648 1.662 -5.835 1.00 0.00 H new ATOM 0 HH22 ARG A 44 60.623 1.322 -7.234 1.00 0.00 H new ATOM 688 N SER A 45 63.859 -3.692 -4.900 1.00 0.00 N ATOM 689 CA SER A 45 62.794 -4.633 -5.347 1.00 0.00 C ATOM 690 C SER A 45 61.879 -4.944 -4.163 1.00 0.00 C ATOM 691 O SER A 45 62.301 -4.957 -3.024 1.00 0.00 O ATOM 692 CB SER A 45 63.426 -5.921 -5.869 1.00 0.00 C ATOM 693 OG SER A 45 63.664 -5.793 -7.265 1.00 0.00 O ATOM 0 H SER A 45 64.787 -4.102 -4.792 1.00 0.00 H new ATOM 0 HA SER A 45 62.213 -4.178 -6.150 1.00 0.00 H new ATOM 0 HB2 SER A 45 64.361 -6.119 -5.345 1.00 0.00 H new ATOM 0 HB3 SER A 45 62.767 -6.768 -5.676 1.00 0.00 H new ATOM 0 HG SER A 45 64.071 -6.617 -7.604 1.00 0.00 H new ATOM 699 N LYS A 46 60.623 -5.175 -4.422 1.00 0.00 N ATOM 700 CA LYS A 46 59.668 -5.460 -3.315 1.00 0.00 C ATOM 701 C LYS A 46 59.963 -6.821 -2.679 1.00 0.00 C ATOM 702 O LYS A 46 60.432 -6.901 -1.561 1.00 0.00 O ATOM 703 CB LYS A 46 58.243 -5.455 -3.874 1.00 0.00 C ATOM 704 CG LYS A 46 57.261 -5.915 -2.794 1.00 0.00 C ATOM 705 CD LYS A 46 55.872 -6.088 -3.413 1.00 0.00 C ATOM 706 CE LYS A 46 55.761 -7.480 -4.038 1.00 0.00 C ATOM 707 NZ LYS A 46 54.612 -7.508 -4.987 1.00 0.00 N ATOM 0 H LYS A 46 60.215 -5.179 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 46 59.775 -4.692 -2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 46 57.980 -4.454 -4.215 1.00 0.00 H new ATOM 0 HB3 LYS A 46 58.180 -6.114 -4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 46 57.597 -6.856 -2.358 1.00 0.00 H new ATOM 0 HG3 LYS A 46 57.223 -5.184 -1.986 1.00 0.00 H new ATOM 0 HD2 LYS A 46 55.104 -5.958 -2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 46 55.702 -5.323 -4.171 1.00 0.00 H new ATOM 0 HE2 LYS A 46 56.684 -7.730 -4.560 1.00 0.00 H new ATOM 0 HE3 LYS A 46 55.622 -8.230 -3.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 54.855 -8.097 -5.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 53.778 -7.906 -4.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 54.400 -6.541 -5.304 1.00 0.00 H new ATOM 721 N VAL A 47 59.673 -7.891 -3.364 1.00 0.00 N ATOM 722 CA VAL A 47 59.919 -9.236 -2.770 1.00 0.00 C ATOM 723 C VAL A 47 61.421 -9.479 -2.612 1.00 0.00 C ATOM 724 O VAL A 47 61.837 -10.371 -1.900 1.00 0.00 O ATOM 725 CB VAL A 47 59.304 -10.315 -3.660 1.00 0.00 C ATOM 726 CG1 VAL A 47 59.561 -11.690 -3.043 1.00 0.00 C ATOM 727 CG2 VAL A 47 57.794 -10.076 -3.759 1.00 0.00 C ATOM 0 H VAL A 47 59.278 -7.894 -4.305 1.00 0.00 H new ATOM 0 HA VAL A 47 59.454 -9.278 -1.785 1.00 0.00 H new ATOM 0 HB VAL A 47 59.751 -10.275 -4.653 1.00 0.00 H new ATOM 0 HG11 VAL A 47 59.123 -12.461 -3.677 1.00 0.00 H new ATOM 0 HG12 VAL A 47 60.635 -11.856 -2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 47 59.109 -11.735 -2.052 1.00 0.00 H new ATOM 0 HG21 VAL A 47 57.345 -10.841 -4.392 1.00 0.00 H new ATOM 0 HG22 VAL A 47 57.352 -10.124 -2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 47 57.609 -9.093 -4.191 1.00 0.00 H new ATOM 737 N GLU A 48 62.244 -8.692 -3.250 1.00 0.00 N ATOM 738 CA GLU A 48 63.713 -8.894 -3.097 1.00 0.00 C ATOM 739 C GLU A 48 64.123 -8.430 -1.702 1.00 0.00 C ATOM 740 O GLU A 48 64.751 -9.155 -0.956 1.00 0.00 O ATOM 741 CB GLU A 48 64.470 -8.083 -4.148 1.00 0.00 C ATOM 742 CG GLU A 48 65.825 -8.739 -4.417 1.00 0.00 C ATOM 743 CD GLU A 48 66.872 -7.657 -4.687 1.00 0.00 C ATOM 744 OE1 GLU A 48 67.142 -6.883 -3.783 1.00 0.00 O ATOM 745 OE2 GLU A 48 67.388 -7.622 -5.792 1.00 0.00 O ATOM 0 H GLU A 48 61.967 -7.926 -3.864 1.00 0.00 H new ATOM 0 HA GLU A 48 63.954 -9.949 -3.231 1.00 0.00 H new ATOM 0 HB2 GLU A 48 63.890 -8.030 -5.069 1.00 0.00 H new ATOM 0 HB3 GLU A 48 64.612 -7.059 -3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 48 66.124 -9.344 -3.561 1.00 0.00 H new ATOM 0 HG3 GLU A 48 65.752 -9.411 -5.272 1.00 0.00 H new ATOM 752 N LEU A 49 63.756 -7.232 -1.335 1.00 0.00 N ATOM 753 CA LEU A 49 64.110 -6.738 0.022 1.00 0.00 C ATOM 754 C LEU A 49 63.412 -7.634 1.044 1.00 0.00 C ATOM 755 O LEU A 49 63.892 -7.844 2.140 1.00 0.00 O ATOM 756 CB LEU A 49 63.649 -5.284 0.175 1.00 0.00 C ATOM 757 CG LEU A 49 62.138 -5.233 0.386 1.00 0.00 C ATOM 758 CD1 LEU A 49 61.842 -5.101 1.880 1.00 0.00 C ATOM 759 CD2 LEU A 49 61.563 -4.024 -0.356 1.00 0.00 C ATOM 0 H LEU A 49 63.229 -6.578 -1.914 1.00 0.00 H new ATOM 0 HA LEU A 49 65.188 -6.770 0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 49 64.158 -4.820 1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 49 63.920 -4.713 -0.713 1.00 0.00 H new ATOM 0 HG LEU A 49 61.682 -6.146 0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 49 60.764 -5.064 2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 49 62.256 -5.959 2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 49 62.295 -4.186 2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 49 60.484 -3.985 -0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 49 62.016 -3.111 0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 49 61.779 -4.114 -1.421 1.00 0.00 H new ATOM 771 N THR A 50 62.292 -8.191 0.673 1.00 0.00 N ATOM 772 CA THR A 50 61.568 -9.106 1.595 1.00 0.00 C ATOM 773 C THR A 50 62.407 -10.368 1.759 1.00 0.00 C ATOM 774 O THR A 50 62.767 -10.757 2.852 1.00 0.00 O ATOM 775 CB THR A 50 60.218 -9.478 0.984 1.00 0.00 C ATOM 776 OG1 THR A 50 59.822 -8.458 0.080 1.00 0.00 O ATOM 777 CG2 THR A 50 59.173 -9.631 2.093 1.00 0.00 C ATOM 0 H THR A 50 61.847 -8.050 -0.234 1.00 0.00 H new ATOM 0 HA THR A 50 61.406 -8.624 2.559 1.00 0.00 H new ATOM 0 HB THR A 50 60.303 -10.424 0.449 1.00 0.00 H new ATOM 0 HG1 THR A 50 60.143 -7.591 0.404 1.00 0.00 H new ATOM 0 HG21 THR A 50 58.212 -9.896 1.653 1.00 0.00 H new ATOM 0 HG22 THR A 50 59.486 -10.416 2.782 1.00 0.00 H new ATOM 0 HG23 THR A 50 59.077 -8.690 2.635 1.00 0.00 H new ATOM 785 N ARG A 51 62.734 -10.998 0.665 1.00 0.00 N ATOM 786 CA ARG A 51 63.567 -12.224 0.729 1.00 0.00 C ATOM 787 C ARG A 51 64.815 -11.920 1.553 1.00 0.00 C ATOM 788 O ARG A 51 65.428 -12.800 2.124 1.00 0.00 O ATOM 789 CB ARG A 51 63.974 -12.629 -0.688 1.00 0.00 C ATOM 790 CG ARG A 51 62.898 -13.536 -1.286 1.00 0.00 C ATOM 791 CD ARG A 51 62.939 -14.891 -0.579 1.00 0.00 C ATOM 792 NE ARG A 51 61.947 -15.810 -1.204 1.00 0.00 N ATOM 793 CZ ARG A 51 60.781 -15.989 -0.645 1.00 0.00 C ATOM 794 NH1 ARG A 51 60.327 -15.115 0.212 1.00 0.00 N ATOM 795 NH2 ARG A 51 60.069 -17.041 -0.943 1.00 0.00 N ATOM 0 H ARG A 51 62.457 -10.712 -0.274 1.00 0.00 H new ATOM 0 HA ARG A 51 63.008 -13.038 1.189 1.00 0.00 H new ATOM 0 HB2 ARG A 51 64.104 -11.742 -1.308 1.00 0.00 H new ATOM 0 HB3 ARG A 51 64.933 -13.147 -0.669 1.00 0.00 H new ATOM 0 HG2 ARG A 51 61.915 -13.080 -1.170 1.00 0.00 H new ATOM 0 HG3 ARG A 51 63.066 -13.664 -2.355 1.00 0.00 H new ATOM 0 HD2 ARG A 51 63.939 -15.318 -0.647 1.00 0.00 H new ATOM 0 HD3 ARG A 51 62.717 -14.767 0.481 1.00 0.00 H new ATOM 0 HE ARG A 51 62.179 -16.299 -2.068 1.00 0.00 H new ATOM 0 HH11 ARG A 51 60.883 -14.292 0.445 1.00 0.00 H new ATOM 0 HH12 ARG A 51 59.416 -15.255 0.649 1.00 0.00 H new ATOM 0 HH21 ARG A 51 60.423 -17.724 -1.613 1.00 0.00 H new ATOM 0 HH22 ARG A 51 59.158 -17.181 -0.506 1.00 0.00 H new ATOM 809 N TYR A 52 65.192 -10.672 1.619 1.00 0.00 N ATOM 810 CA TYR A 52 66.395 -10.300 2.407 1.00 0.00 C ATOM 811 C TYR A 52 66.068 -10.393 3.898 1.00 0.00 C ATOM 812 O TYR A 52 66.777 -11.017 4.662 1.00 0.00 O ATOM 813 CB TYR A 52 66.814 -8.868 2.061 1.00 0.00 C ATOM 814 CG TYR A 52 67.837 -8.386 3.063 1.00 0.00 C ATOM 815 CD1 TYR A 52 69.196 -8.649 2.858 1.00 0.00 C ATOM 816 CD2 TYR A 52 67.424 -7.678 4.199 1.00 0.00 C ATOM 817 CE1 TYR A 52 70.144 -8.204 3.788 1.00 0.00 C ATOM 818 CE2 TYR A 52 68.372 -7.233 5.128 1.00 0.00 C ATOM 819 CZ TYR A 52 69.731 -7.496 4.923 1.00 0.00 C ATOM 820 OH TYR A 52 70.665 -7.057 5.840 1.00 0.00 O ATOM 0 H TYR A 52 64.716 -9.895 1.160 1.00 0.00 H new ATOM 0 HA TYR A 52 67.213 -10.980 2.169 1.00 0.00 H new ATOM 0 HB2 TYR A 52 67.231 -8.833 1.054 1.00 0.00 H new ATOM 0 HB3 TYR A 52 65.944 -8.211 2.069 1.00 0.00 H new ATOM 0 HD1 TYR A 52 69.514 -9.195 1.982 1.00 0.00 H new ATOM 0 HD2 TYR A 52 66.375 -7.476 4.358 1.00 0.00 H new ATOM 0 HE1 TYR A 52 71.193 -8.407 3.630 1.00 0.00 H new ATOM 0 HE2 TYR A 52 68.054 -6.686 6.004 1.00 0.00 H new ATOM 0 HH TYR A 52 70.211 -6.582 6.567 1.00 0.00 H new ATOM 830 N LEU A 53 64.993 -9.781 4.318 1.00 0.00 N ATOM 831 CA LEU A 53 64.620 -9.841 5.759 1.00 0.00 C ATOM 832 C LEU A 53 64.245 -11.278 6.118 1.00 0.00 C ATOM 833 O LEU A 53 64.760 -11.853 7.056 1.00 0.00 O ATOM 834 CB LEU A 53 63.416 -8.932 6.025 1.00 0.00 C ATOM 835 CG LEU A 53 63.585 -7.608 5.280 1.00 0.00 C ATOM 836 CD1 LEU A 53 62.319 -7.319 4.470 1.00 0.00 C ATOM 837 CD2 LEU A 53 63.808 -6.482 6.292 1.00 0.00 C ATOM 0 H LEU A 53 64.359 -9.244 3.726 1.00 0.00 H new ATOM 0 HA LEU A 53 65.464 -9.509 6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 53 62.499 -9.426 5.703 1.00 0.00 H new ATOM 0 HB3 LEU A 53 63.319 -8.747 7.095 1.00 0.00 H new ATOM 0 HG LEU A 53 64.442 -7.671 4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 53 62.436 -6.375 3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 53 62.155 -8.123 3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 53 61.464 -7.253 5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 53 63.929 -5.536 5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 53 62.949 -6.417 6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 53 64.705 -6.689 6.875 1.00 0.00 H new ATOM 849 N GLY A 54 63.342 -11.857 5.377 1.00 0.00 N ATOM 850 CA GLY A 54 62.915 -13.252 5.668 1.00 0.00 C ATOM 851 C GLY A 54 61.406 -13.267 5.917 1.00 0.00 C ATOM 852 O GLY A 54 60.676 -12.499 5.323 1.00 0.00 O ATOM 0 H GLY A 54 62.880 -11.421 4.579 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.165 -13.905 4.832 1.00 0.00 H new ATOM 0 HA3 GLY A 54 63.445 -13.634 6.541 1.00 0.00 H new ATOM 856 N PRO A 55 60.982 -14.140 6.792 1.00 0.00 N ATOM 857 CA PRO A 55 59.560 -14.277 7.148 1.00 0.00 C ATOM 858 C PRO A 55 59.142 -13.171 8.123 1.00 0.00 C ATOM 859 O PRO A 55 58.028 -12.687 8.089 1.00 0.00 O ATOM 860 CB PRO A 55 59.492 -15.649 7.823 1.00 0.00 C ATOM 861 CG PRO A 55 60.923 -15.960 8.324 1.00 0.00 C ATOM 862 CD PRO A 55 61.879 -15.071 7.506 1.00 0.00 C ATOM 0 HA PRO A 55 58.893 -14.193 6.290 1.00 0.00 H new ATOM 0 HB2 PRO A 55 58.784 -15.640 8.652 1.00 0.00 H new ATOM 0 HB3 PRO A 55 59.152 -16.411 7.121 1.00 0.00 H new ATOM 0 HG2 PRO A 55 61.015 -15.749 9.390 1.00 0.00 H new ATOM 0 HG3 PRO A 55 61.161 -17.015 8.186 1.00 0.00 H new ATOM 0 HD2 PRO A 55 62.577 -14.537 8.151 1.00 0.00 H new ATOM 0 HD3 PRO A 55 62.476 -15.661 6.811 1.00 0.00 H new ATOM 870 N ALA A 56 60.028 -12.773 8.995 1.00 0.00 N ATOM 871 CA ALA A 56 59.684 -11.705 9.977 1.00 0.00 C ATOM 872 C ALA A 56 58.961 -10.561 9.267 1.00 0.00 C ATOM 873 O ALA A 56 58.092 -9.922 9.827 1.00 0.00 O ATOM 874 CB ALA A 56 60.965 -11.174 10.623 1.00 0.00 C ATOM 0 H ALA A 56 60.976 -13.142 9.070 1.00 0.00 H new ATOM 0 HA ALA A 56 59.032 -12.121 10.745 1.00 0.00 H new ATOM 0 HB1 ALA A 56 60.714 -10.393 11.341 1.00 0.00 H new ATOM 0 HB2 ALA A 56 61.478 -11.987 11.136 1.00 0.00 H new ATOM 0 HB3 ALA A 56 61.617 -10.762 9.853 1.00 0.00 H new ATOM 880 N CYS A 57 59.312 -10.292 8.042 1.00 0.00 N ATOM 881 CA CYS A 57 58.643 -9.183 7.308 1.00 0.00 C ATOM 882 C CYS A 57 58.003 -9.722 6.028 1.00 0.00 C ATOM 883 O CYS A 57 58.489 -10.659 5.426 1.00 0.00 O ATOM 884 CB CYS A 57 59.680 -8.117 6.954 1.00 0.00 C ATOM 885 SG CYS A 57 60.163 -7.223 8.452 1.00 0.00 S ATOM 0 H CYS A 57 60.031 -10.790 7.518 1.00 0.00 H new ATOM 0 HA CYS A 57 57.868 -8.746 7.937 1.00 0.00 H new ATOM 0 HB2 CYS A 57 60.554 -8.582 6.498 1.00 0.00 H new ATOM 0 HB3 CYS A 57 59.268 -7.424 6.221 1.00 0.00 H new ATOM 0 HG CYS A 57 60.965 -6.250 8.137 1.00 0.00 H new ATOM 891 N ASP A 58 56.915 -9.136 5.606 1.00 0.00 N ATOM 892 CA ASP A 58 56.246 -9.615 4.364 1.00 0.00 C ATOM 893 C ASP A 58 56.047 -8.438 3.407 1.00 0.00 C ATOM 894 O ASP A 58 55.836 -7.316 3.821 1.00 0.00 O ATOM 895 CB ASP A 58 54.887 -10.225 4.714 1.00 0.00 C ATOM 896 CG ASP A 58 54.245 -10.798 3.449 1.00 0.00 C ATOM 897 OD1 ASP A 58 54.979 -11.123 2.531 1.00 0.00 O ATOM 898 OD2 ASP A 58 53.030 -10.902 3.420 1.00 0.00 O ATOM 0 H ASP A 58 56.462 -8.347 6.067 1.00 0.00 H new ATOM 0 HA ASP A 58 56.868 -10.372 3.886 1.00 0.00 H new ATOM 0 HB2 ASP A 58 55.010 -11.010 5.460 1.00 0.00 H new ATOM 0 HB3 ASP A 58 54.238 -9.467 5.153 1.00 0.00 H new ATOM 903 N LEU A 59 56.129 -8.684 2.128 1.00 0.00 N ATOM 904 CA LEU A 59 55.964 -7.580 1.144 1.00 0.00 C ATOM 905 C LEU A 59 55.255 -8.090 -0.114 1.00 0.00 C ATOM 906 O LEU A 59 55.139 -7.385 -1.095 1.00 0.00 O ATOM 907 CB LEU A 59 57.345 -7.068 0.758 1.00 0.00 C ATOM 908 CG LEU A 59 57.700 -5.868 1.623 1.00 0.00 C ATOM 909 CD1 LEU A 59 58.772 -6.266 2.639 1.00 0.00 C ATOM 910 CD2 LEU A 59 58.234 -4.750 0.729 1.00 0.00 C ATOM 0 H LEU A 59 56.303 -9.604 1.723 1.00 0.00 H new ATOM 0 HA LEU A 59 55.366 -6.785 1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 59 58.087 -7.856 0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 59 57.360 -6.788 -0.295 1.00 0.00 H new ATOM 0 HG LEU A 59 56.813 -5.524 2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 59 59.025 -5.405 3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 59 58.393 -7.069 3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 59 59.663 -6.609 2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 59 58.491 -3.886 1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 59 59.122 -5.098 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 59 57.470 -4.467 0.005 1.00 0.00 H new ATOM 922 N THR A 60 54.790 -9.307 -0.102 1.00 0.00 N ATOM 923 CA THR A 60 54.104 -9.847 -1.307 1.00 0.00 C ATOM 924 C THR A 60 53.087 -8.829 -1.826 1.00 0.00 C ATOM 925 O THR A 60 52.958 -8.618 -3.016 1.00 0.00 O ATOM 926 CB THR A 60 53.384 -11.146 -0.943 1.00 0.00 C ATOM 927 OG1 THR A 60 54.229 -11.941 -0.123 1.00 0.00 O ATOM 928 CG2 THR A 60 53.044 -11.910 -2.221 1.00 0.00 C ATOM 0 H THR A 60 54.855 -9.949 0.688 1.00 0.00 H new ATOM 0 HA THR A 60 54.843 -10.043 -2.084 1.00 0.00 H new ATOM 0 HB THR A 60 52.466 -10.917 -0.401 1.00 0.00 H new ATOM 0 HG1 THR A 60 53.768 -12.773 0.112 1.00 0.00 H new ATOM 0 HG21 THR A 60 52.531 -12.837 -1.965 1.00 0.00 H new ATOM 0 HG22 THR A 60 52.397 -11.298 -2.849 1.00 0.00 H new ATOM 0 HG23 THR A 60 53.962 -12.141 -2.762 1.00 0.00 H new ATOM 936 N LEU A 61 52.357 -8.201 -0.946 1.00 0.00 N ATOM 937 CA LEU A 61 51.342 -7.208 -1.395 1.00 0.00 C ATOM 938 C LEU A 61 51.784 -5.796 -1.014 1.00 0.00 C ATOM 939 O LEU A 61 51.011 -4.860 -1.068 1.00 0.00 O ATOM 940 CB LEU A 61 50.006 -7.525 -0.723 1.00 0.00 C ATOM 941 CG LEU A 61 49.316 -8.680 -1.460 1.00 0.00 C ATOM 942 CD1 LEU A 61 48.591 -8.133 -2.689 1.00 0.00 C ATOM 943 CD2 LEU A 61 50.356 -9.720 -1.902 1.00 0.00 C ATOM 0 H LEU A 61 52.420 -8.333 0.064 1.00 0.00 H new ATOM 0 HA LEU A 61 51.236 -7.263 -2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 61 50.168 -7.793 0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 61 49.366 -6.643 -0.730 1.00 0.00 H new ATOM 0 HG LEU A 61 48.600 -9.156 -0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 61 48.099 -8.951 -3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 61 47.845 -7.402 -2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 61 49.311 -7.655 -3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 61 49.856 -10.536 -2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 61 51.079 -9.251 -2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 61 50.873 -10.113 -1.026 1.00 0.00 H new ATOM 955 N PHE A 62 53.017 -5.631 -0.631 1.00 0.00 N ATOM 956 CA PHE A 62 53.497 -4.274 -0.251 1.00 0.00 C ATOM 957 C PHE A 62 53.571 -3.389 -1.498 1.00 0.00 C ATOM 958 O PHE A 62 54.043 -3.803 -2.539 1.00 0.00 O ATOM 959 CB PHE A 62 54.884 -4.379 0.388 1.00 0.00 C ATOM 960 CG PHE A 62 55.497 -3.003 0.484 1.00 0.00 C ATOM 961 CD1 PHE A 62 55.020 -2.088 1.430 1.00 0.00 C ATOM 962 CD2 PHE A 62 56.536 -2.641 -0.379 1.00 0.00 C ATOM 963 CE1 PHE A 62 55.585 -0.810 1.512 1.00 0.00 C ATOM 964 CE2 PHE A 62 57.102 -1.366 -0.297 1.00 0.00 C ATOM 965 CZ PHE A 62 56.626 -0.448 0.649 1.00 0.00 C ATOM 0 H PHE A 62 53.712 -6.374 -0.564 1.00 0.00 H new ATOM 0 HA PHE A 62 52.803 -3.833 0.465 1.00 0.00 H new ATOM 0 HB2 PHE A 62 54.807 -4.825 1.380 1.00 0.00 H new ATOM 0 HB3 PHE A 62 55.522 -5.033 -0.207 1.00 0.00 H new ATOM 0 HD1 PHE A 62 54.217 -2.368 2.096 1.00 0.00 H new ATOM 0 HD2 PHE A 62 56.901 -3.347 -1.110 1.00 0.00 H new ATOM 0 HE1 PHE A 62 55.218 -0.103 2.241 1.00 0.00 H new ATOM 0 HE2 PHE A 62 57.906 -1.088 -0.962 1.00 0.00 H new ATOM 0 HZ PHE A 62 57.062 0.538 0.712 1.00 0.00 H new ATOM 975 N ASP A 63 53.112 -2.170 -1.398 1.00 0.00 N ATOM 976 CA ASP A 63 53.160 -1.255 -2.573 1.00 0.00 C ATOM 977 C ASP A 63 54.484 -0.491 -2.563 1.00 0.00 C ATOM 978 O ASP A 63 54.682 0.416 -1.779 1.00 0.00 O ATOM 979 CB ASP A 63 51.998 -0.262 -2.497 1.00 0.00 C ATOM 980 CG ASP A 63 51.113 -0.417 -3.736 1.00 0.00 C ATOM 981 OD1 ASP A 63 51.658 -0.457 -4.826 1.00 0.00 O ATOM 982 OD2 ASP A 63 49.907 -0.492 -3.572 1.00 0.00 O ATOM 0 H ASP A 63 52.706 -1.769 -0.553 1.00 0.00 H new ATOM 0 HA ASP A 63 53.079 -1.836 -3.492 1.00 0.00 H new ATOM 0 HB2 ASP A 63 51.413 -0.439 -1.595 1.00 0.00 H new ATOM 0 HB3 ASP A 63 52.380 0.757 -2.435 1.00 0.00 H new ATOM 987 N PHE A 64 55.396 -0.854 -3.422 1.00 0.00 N ATOM 988 CA PHE A 64 56.708 -0.151 -3.451 1.00 0.00 C ATOM 989 C PHE A 64 56.513 1.268 -3.991 1.00 0.00 C ATOM 990 O PHE A 64 57.062 1.638 -5.009 1.00 0.00 O ATOM 991 CB PHE A 64 57.675 -0.915 -4.357 1.00 0.00 C ATOM 992 CG PHE A 64 59.042 -0.945 -3.716 1.00 0.00 C ATOM 993 CD1 PHE A 64 59.720 0.251 -3.452 1.00 0.00 C ATOM 994 CD2 PHE A 64 59.630 -2.171 -3.383 1.00 0.00 C ATOM 995 CE1 PHE A 64 60.985 0.221 -2.854 1.00 0.00 C ATOM 996 CE2 PHE A 64 60.896 -2.202 -2.786 1.00 0.00 C ATOM 997 CZ PHE A 64 61.573 -1.006 -2.521 1.00 0.00 C ATOM 0 H PHE A 64 55.289 -1.605 -4.103 1.00 0.00 H new ATOM 0 HA PHE A 64 57.118 -0.102 -2.442 1.00 0.00 H new ATOM 0 HB2 PHE A 64 57.314 -1.931 -4.519 1.00 0.00 H new ATOM 0 HB3 PHE A 64 57.730 -0.437 -5.335 1.00 0.00 H new ATOM 0 HD1 PHE A 64 59.267 1.197 -3.710 1.00 0.00 H new ATOM 0 HD2 PHE A 64 59.107 -3.094 -3.587 1.00 0.00 H new ATOM 0 HE1 PHE A 64 61.508 1.144 -2.649 1.00 0.00 H new ATOM 0 HE2 PHE A 64 61.350 -3.148 -2.530 1.00 0.00 H new ATOM 0 HZ PHE A 64 62.549 -1.029 -2.060 1.00 0.00 H new ATOM 1007 N LYS A 65 55.732 2.064 -3.314 1.00 0.00 N ATOM 1008 CA LYS A 65 55.497 3.459 -3.780 1.00 0.00 C ATOM 1009 C LYS A 65 54.663 4.200 -2.734 1.00 0.00 C ATOM 1010 O LYS A 65 54.867 5.369 -2.475 1.00 0.00 O ATOM 1011 CB LYS A 65 54.744 3.433 -5.113 1.00 0.00 C ATOM 1012 CG LYS A 65 55.527 4.230 -6.159 1.00 0.00 C ATOM 1013 CD LYS A 65 54.933 3.974 -7.545 1.00 0.00 C ATOM 1014 CE LYS A 65 53.537 4.593 -7.626 1.00 0.00 C ATOM 1015 NZ LYS A 65 53.129 4.714 -9.054 1.00 0.00 N ATOM 0 H LYS A 65 55.245 1.807 -2.455 1.00 0.00 H new ATOM 0 HA LYS A 65 56.451 3.968 -3.917 1.00 0.00 H new ATOM 0 HB2 LYS A 65 54.612 2.404 -5.448 1.00 0.00 H new ATOM 0 HB3 LYS A 65 53.748 3.857 -4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 65 55.487 5.294 -5.926 1.00 0.00 H new ATOM 0 HG3 LYS A 65 56.577 3.939 -6.142 1.00 0.00 H new ATOM 0 HD2 LYS A 65 55.577 4.403 -8.313 1.00 0.00 H new ATOM 0 HD3 LYS A 65 54.879 2.902 -7.736 1.00 0.00 H new ATOM 0 HE2 LYS A 65 52.822 3.975 -7.083 1.00 0.00 H new ATOM 0 HE3 LYS A 65 53.535 5.574 -7.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 52.180 5.135 -9.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 53.807 5.321 -9.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 53.116 3.771 -9.492 1.00 0.00 H new ATOM 1029 N GLN A 66 53.728 3.522 -2.127 1.00 0.00 N ATOM 1030 CA GLN A 66 52.881 4.177 -1.091 1.00 0.00 C ATOM 1031 C GLN A 66 53.439 3.846 0.295 1.00 0.00 C ATOM 1032 O GLN A 66 53.460 4.676 1.182 1.00 0.00 O ATOM 1033 CB GLN A 66 51.447 3.656 -1.202 1.00 0.00 C ATOM 1034 CG GLN A 66 50.528 4.492 -0.309 1.00 0.00 C ATOM 1035 CD GLN A 66 49.094 4.415 -0.836 1.00 0.00 C ATOM 1036 OE1 GLN A 66 48.311 5.322 -0.635 1.00 0.00 O ATOM 1037 NE2 GLN A 66 48.713 3.362 -1.507 1.00 0.00 N ATOM 0 H GLN A 66 53.514 2.541 -2.304 1.00 0.00 H new ATOM 0 HA GLN A 66 52.886 5.257 -1.240 1.00 0.00 H new ATOM 0 HB2 GLN A 66 51.110 3.707 -2.237 1.00 0.00 H new ATOM 0 HB3 GLN A 66 51.406 2.608 -0.904 1.00 0.00 H new ATOM 0 HG2 GLN A 66 50.570 4.126 0.717 1.00 0.00 H new ATOM 0 HG3 GLN A 66 50.865 5.528 -0.292 1.00 0.00 H new ATOM 0 HE21 GLN A 66 49.370 2.600 -1.676 1.00 0.00 H new ATOM 0 HE22 GLN A 66 47.759 3.301 -1.862 1.00 0.00 H new ATOM 1046 N GLY A 67 53.895 2.637 0.485 1.00 0.00 N ATOM 1047 CA GLY A 67 54.455 2.251 1.811 1.00 0.00 C ATOM 1048 C GLY A 67 53.441 1.391 2.567 1.00 0.00 C ATOM 1049 O GLY A 67 53.362 1.429 3.779 1.00 0.00 O ATOM 0 H GLY A 67 53.904 1.901 -0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 67 55.386 1.700 1.677 1.00 0.00 H new ATOM 0 HA3 GLY A 67 54.693 3.143 2.390 1.00 0.00 H new ATOM 1053 N ILE A 68 52.663 0.613 1.863 1.00 0.00 N ATOM 1054 CA ILE A 68 51.655 -0.247 2.547 1.00 0.00 C ATOM 1055 C ILE A 68 51.606 -1.618 1.869 1.00 0.00 C ATOM 1056 O ILE A 68 52.228 -1.841 0.849 1.00 0.00 O ATOM 1057 CB ILE A 68 50.279 0.416 2.461 1.00 0.00 C ATOM 1058 CG1 ILE A 68 49.893 0.595 0.991 1.00 0.00 C ATOM 1059 CG2 ILE A 68 50.327 1.783 3.146 1.00 0.00 C ATOM 1060 CD1 ILE A 68 49.280 -0.702 0.462 1.00 0.00 C ATOM 0 H ILE A 68 52.682 0.536 0.846 1.00 0.00 H new ATOM 0 HA ILE A 68 51.934 -0.372 3.593 1.00 0.00 H new ATOM 0 HB ILE A 68 49.540 -0.212 2.958 1.00 0.00 H new ATOM 0 HG12 ILE A 68 49.181 1.414 0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 68 50.772 0.860 0.403 1.00 0.00 H new ATOM 0 HG21 ILE A 68 49.347 2.255 3.085 1.00 0.00 H new ATOM 0 HG22 ILE A 68 50.604 1.656 4.193 1.00 0.00 H new ATOM 0 HG23 ILE A 68 51.065 2.413 2.649 1.00 0.00 H new ATOM 0 HD11 ILE A 68 49.005 -0.574 -0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 68 50.006 -1.510 0.550 1.00 0.00 H new ATOM 0 HD13 ILE A 68 48.391 -0.948 1.043 1.00 0.00 H new ATOM 1072 N LEU A 69 50.868 -2.540 2.428 1.00 0.00 N ATOM 1073 CA LEU A 69 50.777 -3.896 1.819 1.00 0.00 C ATOM 1074 C LEU A 69 49.407 -4.502 2.131 1.00 0.00 C ATOM 1075 O LEU A 69 48.494 -3.817 2.546 1.00 0.00 O ATOM 1076 CB LEU A 69 51.866 -4.795 2.406 1.00 0.00 C ATOM 1077 CG LEU A 69 51.638 -4.945 3.911 1.00 0.00 C ATOM 1078 CD1 LEU A 69 51.743 -6.420 4.303 1.00 0.00 C ATOM 1079 CD2 LEU A 69 52.695 -4.141 4.668 1.00 0.00 C ATOM 0 H LEU A 69 50.324 -2.411 3.281 1.00 0.00 H new ATOM 0 HA LEU A 69 50.909 -3.817 0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 69 51.846 -5.772 1.924 1.00 0.00 H new ATOM 0 HB3 LEU A 69 52.850 -4.366 2.216 1.00 0.00 H new ATOM 0 HG LEU A 69 50.645 -4.574 4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.580 -6.524 5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.989 -6.994 3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 69 52.735 -6.794 4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.534 -4.247 5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 69 53.687 -4.512 4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 69 52.619 -3.089 4.392 1.00 0.00 H new ATOM 1091 N CYS A 70 49.260 -5.784 1.938 1.00 0.00 N ATOM 1092 CA CYS A 70 47.955 -6.437 2.230 1.00 0.00 C ATOM 1093 C CYS A 70 48.168 -7.942 2.398 1.00 0.00 C ATOM 1094 O CYS A 70 49.219 -8.468 2.089 1.00 0.00 O ATOM 1095 CB CYS A 70 46.985 -6.185 1.073 1.00 0.00 C ATOM 1096 SG CYS A 70 45.338 -5.827 1.733 1.00 0.00 S ATOM 0 H CYS A 70 49.989 -6.407 1.590 1.00 0.00 H new ATOM 0 HA CYS A 70 47.538 -6.022 3.148 1.00 0.00 H new ATOM 0 HB2 CYS A 70 47.335 -5.350 0.467 1.00 0.00 H new ATOM 0 HB3 CYS A 70 46.945 -7.058 0.421 1.00 0.00 H new ATOM 0 HG CYS A 70 44.514 -5.611 0.751 1.00 0.00 H new ATOM 1102 N TYR A 71 47.179 -8.642 2.883 1.00 0.00 N ATOM 1103 CA TYR A 71 47.328 -10.114 3.068 1.00 0.00 C ATOM 1104 C TYR A 71 46.037 -10.814 2.637 1.00 0.00 C ATOM 1105 O TYR A 71 45.245 -11.218 3.466 1.00 0.00 O ATOM 1106 CB TYR A 71 47.613 -10.426 4.540 1.00 0.00 C ATOM 1107 CG TYR A 71 46.957 -9.387 5.418 1.00 0.00 C ATOM 1108 CD1 TYR A 71 45.614 -9.529 5.788 1.00 0.00 C ATOM 1109 CD2 TYR A 71 47.692 -8.281 5.862 1.00 0.00 C ATOM 1110 CE1 TYR A 71 45.007 -8.566 6.602 1.00 0.00 C ATOM 1111 CE2 TYR A 71 47.084 -7.317 6.676 1.00 0.00 C ATOM 1112 CZ TYR A 71 45.742 -7.459 7.046 1.00 0.00 C ATOM 1113 OH TYR A 71 45.143 -6.509 7.848 1.00 0.00 O ATOM 0 H TYR A 71 46.275 -8.259 3.159 1.00 0.00 H new ATOM 0 HA TYR A 71 48.158 -10.472 2.459 1.00 0.00 H new ATOM 0 HB2 TYR A 71 47.237 -11.418 4.791 1.00 0.00 H new ATOM 0 HB3 TYR A 71 48.688 -10.439 4.717 1.00 0.00 H new ATOM 0 HD1 TYR A 71 45.047 -10.382 5.445 1.00 0.00 H new ATOM 0 HD2 TYR A 71 48.728 -8.171 5.577 1.00 0.00 H new ATOM 0 HE1 TYR A 71 43.971 -8.676 6.888 1.00 0.00 H new ATOM 0 HE2 TYR A 71 47.651 -6.464 7.018 1.00 0.00 H new ATOM 0 HH TYR A 71 45.793 -5.809 8.067 1.00 0.00 H new ATOM 1123 N PRO A 72 45.866 -10.938 1.345 1.00 0.00 N ATOM 1124 CA PRO A 72 44.680 -11.587 0.760 1.00 0.00 C ATOM 1125 C PRO A 72 44.807 -13.109 0.861 1.00 0.00 C ATOM 1126 O PRO A 72 45.561 -13.625 1.662 1.00 0.00 O ATOM 1127 CB PRO A 72 44.704 -11.128 -0.701 1.00 0.00 C ATOM 1128 CG PRO A 72 46.166 -10.724 -1.008 1.00 0.00 C ATOM 1129 CD PRO A 72 46.839 -10.443 0.349 1.00 0.00 C ATOM 0 HA PRO A 72 43.750 -11.326 1.265 1.00 0.00 H new ATOM 0 HB2 PRO A 72 44.374 -11.927 -1.365 1.00 0.00 H new ATOM 0 HB3 PRO A 72 44.028 -10.287 -0.855 1.00 0.00 H new ATOM 0 HG2 PRO A 72 46.685 -11.521 -1.540 1.00 0.00 H new ATOM 0 HG3 PRO A 72 46.198 -9.841 -1.647 1.00 0.00 H new ATOM 0 HD2 PRO A 72 47.795 -10.960 0.434 1.00 0.00 H new ATOM 0 HD3 PRO A 72 47.039 -9.380 0.482 1.00 0.00 H new ATOM 1137 N ALA A 73 44.076 -13.833 0.058 1.00 0.00 N ATOM 1138 CA ALA A 73 44.160 -15.319 0.116 1.00 0.00 C ATOM 1139 C ALA A 73 42.961 -15.940 -0.608 1.00 0.00 C ATOM 1140 O ALA A 73 43.131 -16.774 -1.475 1.00 0.00 O ATOM 1141 CB ALA A 73 44.162 -15.775 1.576 1.00 0.00 C ATOM 0 H ALA A 73 43.426 -13.460 -0.634 1.00 0.00 H new ATOM 0 HA ALA A 73 45.080 -15.642 -0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 73 44.223 -16.862 1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 73 45.020 -15.343 2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 73 43.244 -15.445 2.062 1.00 0.00 H new ATOM 1147 N PRO A 74 41.781 -15.520 -0.226 1.00 0.00 N ATOM 1148 CA PRO A 74 40.531 -16.027 -0.820 1.00 0.00 C ATOM 1149 C PRO A 74 40.286 -15.379 -2.186 1.00 0.00 C ATOM 1150 O PRO A 74 40.228 -16.048 -3.198 1.00 0.00 O ATOM 1151 CB PRO A 74 39.459 -15.609 0.190 1.00 0.00 C ATOM 1152 CG PRO A 74 40.049 -14.424 0.990 1.00 0.00 C ATOM 1153 CD PRO A 74 41.579 -14.502 0.829 1.00 0.00 C ATOM 0 HA PRO A 74 40.543 -17.103 -0.997 1.00 0.00 H new ATOM 0 HB2 PRO A 74 38.541 -15.315 -0.318 1.00 0.00 H new ATOM 0 HB3 PRO A 74 39.206 -16.437 0.852 1.00 0.00 H new ATOM 0 HG2 PRO A 74 39.668 -13.475 0.614 1.00 0.00 H new ATOM 0 HG3 PRO A 74 39.766 -14.487 2.041 1.00 0.00 H new ATOM 0 HD2 PRO A 74 41.999 -13.539 0.539 1.00 0.00 H new ATOM 0 HD3 PRO A 74 42.063 -14.793 1.761 1.00 0.00 H new ATOM 1161 N LYS A 75 40.143 -14.083 -2.224 1.00 0.00 N ATOM 1162 CA LYS A 75 39.905 -13.400 -3.526 1.00 0.00 C ATOM 1163 C LYS A 75 41.074 -12.461 -3.831 1.00 0.00 C ATOM 1164 O LYS A 75 41.360 -11.614 -3.001 1.00 0.00 O ATOM 1165 CB LYS A 75 38.608 -12.593 -3.453 1.00 0.00 C ATOM 1166 CG LYS A 75 37.586 -13.182 -4.427 1.00 0.00 C ATOM 1167 CD LYS A 75 36.360 -13.665 -3.651 1.00 0.00 C ATOM 1168 CE LYS A 75 35.552 -12.459 -3.170 1.00 0.00 C ATOM 1169 NZ LYS A 75 34.444 -12.923 -2.288 1.00 0.00 N ATOM 1170 OXT LYS A 75 41.662 -12.604 -4.890 1.00 0.00 O ATOM 0 H LYS A 75 40.181 -13.468 -1.411 1.00 0.00 H new ATOM 0 HA LYS A 75 39.822 -14.146 -4.316 1.00 0.00 H new ATOM 0 HB2 LYS A 75 38.212 -12.612 -2.438 1.00 0.00 H new ATOM 0 HB3 LYS A 75 38.802 -11.549 -3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 75 37.292 -12.431 -5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 75 38.030 -14.011 -4.979 1.00 0.00 H new ATOM 0 HD2 LYS A 75 35.742 -14.300 -4.286 1.00 0.00 H new ATOM 0 HD3 LYS A 75 36.671 -14.271 -2.800 1.00 0.00 H new ATOM 0 HE2 LYS A 75 36.198 -11.768 -2.628 1.00 0.00 H new ATOM 0 HE3 LYS A 75 35.148 -11.915 -4.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 33.894 -12.103 -1.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 33.823 -13.566 -2.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 34.840 -13.424 -1.467 1.00 0.00 H new TER 1184 LYS A 75