USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 739 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 43 ASN :FLIP amide:sc= -1.04 F(o=-2.1,f=-0.17) USER MOD Set 1.2: A 45 THR OG1 : rot -14:sc= 0.87 USER MOD Set 2.1: A 29 CYS SG : rot -111:sc= 1.09 USER MOD Set 2.2: A 79 CYS SG : rot -172:sc= 1.37 USER MOD Set 3.1: A 24 MET CE :methyl -149:sc= 0 (180deg=0) USER MOD Set 3.2: A 65 ASN : amide:sc= -2.71! C(o=-2.7!,f=-5.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 24:sc= 0.306 USER MOD Single : A 3 SER OG : rot -55:sc= 0.0733 USER MOD Single : A 5 SER OG : rot 14:sc= 1.2 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -1.05! C(o=-1!,f=-0.93!) USER MOD Single : A 20 SER OG : rot -139:sc= 0.0171 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 9:sc= 0.313 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -84:sc= 1.08 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0112) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0623 USER MOD Single : A 49 HIS : no HD1:sc= -0.0403 X(o=-0.04,f=-0.21) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -3.46! C(o=-3.5!,f=-8.7!) USER MOD Single : A 57 SER OG : rot 69:sc= 0.0834 USER MOD Single : A 60 ASN : amide:sc= -0.334 K(o=-0.33,f=-1.1!) USER MOD Single : A 63 THR OG1 : rot 4:sc= 0.744 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -3.77 F(o=-5,f=-3.8) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.93 USER MOD Single : A 77 TYR OH : rot -35:sc= 1.24 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -119:sc= -2.64! (180deg=-3.74!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -1.13 K(o=-1.1,f=-12!) USER MOD Single : A 87 ASN : amide:sc= -3.05 K(o=-3,f=-6.4!) USER MOD Single : A 88 SER OG : rot -71:sc= -0.0842 USER MOD Single : A 89 ASN : amide:sc= -0.22 K(o=-0.22,f=-3.5!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 165:sc= -1.16 USER MOD Single : A 95 ASN : amide:sc= -1.5 K(o=-1.5,f=-7.4!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 29:sc= 0.651 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.136 5.900 -13.533 1.00 0.00 N ATOM 2 CA GLY A 1 27.280 6.201 -14.372 1.00 0.00 C ATOM 3 C GLY A 1 27.420 7.684 -14.654 1.00 0.00 C ATOM 4 O GLY A 1 28.347 8.331 -14.167 1.00 0.00 O ATOM 0 H1 GLY A 1 26.085 4.874 -13.370 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.235 6.391 -12.621 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.266 6.219 -14.005 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.187 5.840 -13.887 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.186 5.663 -15.315 1.00 0.00 H new ATOM 8 N SER A 2 26.496 8.225 -15.442 1.00 0.00 N ATOM 9 CA SER A 2 26.523 9.640 -15.792 1.00 0.00 C ATOM 10 C SER A 2 25.114 10.161 -16.057 1.00 0.00 C ATOM 11 O SER A 2 24.248 9.427 -16.531 1.00 0.00 O ATOM 12 CB SER A 2 27.402 9.866 -17.024 1.00 0.00 C ATOM 13 OG SER A 2 28.772 9.935 -16.667 1.00 0.00 O ATOM 0 H SER A 2 25.719 7.704 -15.850 1.00 0.00 H new ATOM 0 HA SER A 2 26.943 10.189 -14.949 1.00 0.00 H new ATOM 0 HB2 SER A 2 27.249 9.056 -17.737 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.106 10.789 -17.522 1.00 0.00 H new ATOM 0 HG SER A 2 28.912 9.470 -15.816 1.00 0.00 H new ATOM 19 N SER A 3 24.893 11.434 -15.746 1.00 0.00 N ATOM 20 CA SER A 3 23.588 12.054 -15.946 1.00 0.00 C ATOM 21 C SER A 3 22.469 11.129 -15.478 1.00 0.00 C ATOM 22 O SER A 3 21.433 11.009 -16.130 1.00 0.00 O ATOM 23 CB SER A 3 23.389 12.409 -17.420 1.00 0.00 C ATOM 24 OG SER A 3 22.345 13.353 -17.581 1.00 0.00 O ATOM 0 H SER A 3 25.600 12.056 -15.355 1.00 0.00 H new ATOM 0 HA SER A 3 23.553 12.967 -15.352 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.315 12.813 -17.828 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.158 11.507 -17.987 1.00 0.00 H new ATOM 0 HG SER A 3 21.527 13.010 -17.165 1.00 0.00 H new ATOM 30 N GLY A 4 22.687 10.475 -14.340 1.00 0.00 N ATOM 31 CA GLY A 4 21.690 9.568 -13.803 1.00 0.00 C ATOM 32 C GLY A 4 21.909 9.270 -12.334 1.00 0.00 C ATOM 33 O GLY A 4 22.827 9.807 -11.714 1.00 0.00 O ATOM 0 H GLY A 4 23.536 10.558 -13.781 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.699 10.001 -13.939 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.711 8.635 -14.367 1.00 0.00 H new ATOM 37 N SER A 5 21.062 8.412 -11.773 1.00 0.00 N ATOM 38 CA SER A 5 21.165 8.047 -10.365 1.00 0.00 C ATOM 39 C SER A 5 20.336 6.801 -10.065 1.00 0.00 C ATOM 40 O SER A 5 19.686 6.246 -10.951 1.00 0.00 O ATOM 41 CB SER A 5 20.701 9.206 -9.481 1.00 0.00 C ATOM 42 OG SER A 5 21.729 10.169 -9.322 1.00 0.00 O ATOM 0 H SER A 5 20.297 7.957 -12.272 1.00 0.00 H new ATOM 0 HA SER A 5 22.210 7.829 -10.147 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.823 9.676 -9.924 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.401 8.825 -8.505 1.00 0.00 H new ATOM 0 HG SER A 5 22.435 10.005 -9.981 1.00 0.00 H new ATOM 48 N SER A 6 20.365 6.368 -8.809 1.00 0.00 N ATOM 49 CA SER A 6 19.620 5.185 -8.391 1.00 0.00 C ATOM 50 C SER A 6 19.612 5.058 -6.871 1.00 0.00 C ATOM 51 O SER A 6 20.209 5.870 -6.165 1.00 0.00 O ATOM 52 CB SER A 6 20.226 3.928 -9.017 1.00 0.00 C ATOM 53 OG SER A 6 21.578 3.764 -8.626 1.00 0.00 O ATOM 0 H SER A 6 20.896 6.818 -8.063 1.00 0.00 H new ATOM 0 HA SER A 6 18.591 5.293 -8.734 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.649 3.054 -8.716 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.164 3.993 -10.103 1.00 0.00 H new ATOM 0 HG SER A 6 21.942 2.953 -9.038 1.00 0.00 H new ATOM 59 N GLY A 7 18.931 4.030 -6.373 1.00 0.00 N ATOM 60 CA GLY A 7 18.857 3.813 -4.940 1.00 0.00 C ATOM 61 C GLY A 7 18.146 2.523 -4.584 1.00 0.00 C ATOM 62 O GLY A 7 18.742 1.446 -4.564 1.00 0.00 O ATOM 0 H GLY A 7 18.429 3.344 -6.937 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.865 3.794 -4.526 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.337 4.651 -4.475 1.00 0.00 H new ATOM 66 N PRO A 8 16.840 2.623 -4.294 1.00 0.00 N ATOM 67 CA PRO A 8 16.019 1.464 -3.931 1.00 0.00 C ATOM 68 C PRO A 8 15.785 0.527 -5.111 1.00 0.00 C ATOM 69 O PRO A 8 16.344 0.720 -6.190 1.00 0.00 O ATOM 70 CB PRO A 8 14.699 2.093 -3.477 1.00 0.00 C ATOM 71 CG PRO A 8 14.642 3.403 -4.183 1.00 0.00 C ATOM 72 CD PRO A 8 16.065 3.875 -4.298 1.00 0.00 C ATOM 0 HA PRO A 8 16.497 0.848 -3.170 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.849 1.464 -3.741 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.674 2.225 -2.395 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.186 3.296 -5.167 1.00 0.00 H new ATOM 0 HG3 PRO A 8 14.037 4.120 -3.627 1.00 0.00 H new ATOM 0 HD2 PRO A 8 16.227 4.445 -5.213 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.342 4.522 -3.466 1.00 0.00 H new ATOM 80 N PHE A 9 14.955 -0.489 -4.898 1.00 0.00 N ATOM 81 CA PHE A 9 14.647 -1.457 -5.945 1.00 0.00 C ATOM 82 C PHE A 9 13.233 -1.249 -6.478 1.00 0.00 C ATOM 83 O PHE A 9 12.756 -2.014 -7.317 1.00 0.00 O ATOM 84 CB PHE A 9 14.799 -2.883 -5.411 1.00 0.00 C ATOM 85 CG PHE A 9 16.215 -3.383 -5.433 1.00 0.00 C ATOM 86 CD1 PHE A 9 17.213 -2.709 -4.748 1.00 0.00 C ATOM 87 CD2 PHE A 9 16.548 -4.528 -6.139 1.00 0.00 C ATOM 88 CE1 PHE A 9 18.517 -3.168 -4.767 1.00 0.00 C ATOM 89 CE2 PHE A 9 17.850 -4.992 -6.161 1.00 0.00 C ATOM 90 CZ PHE A 9 18.835 -4.311 -5.474 1.00 0.00 C ATOM 0 H PHE A 9 14.484 -0.663 -4.010 1.00 0.00 H new ATOM 0 HA PHE A 9 15.351 -1.306 -6.764 1.00 0.00 H new ATOM 0 HB2 PHE A 9 14.424 -2.921 -4.388 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.176 -3.553 -6.004 1.00 0.00 H new ATOM 0 HD1 PHE A 9 16.970 -1.815 -4.193 1.00 0.00 H new ATOM 0 HD2 PHE A 9 15.781 -5.064 -6.678 1.00 0.00 H new ATOM 0 HE1 PHE A 9 19.286 -2.633 -4.230 1.00 0.00 H new ATOM 0 HE2 PHE A 9 18.096 -5.886 -6.715 1.00 0.00 H new ATOM 0 HZ PHE A 9 19.853 -4.672 -5.489 1.00 0.00 H new ATOM 100 N ILE A 10 12.567 -0.210 -5.985 1.00 0.00 N ATOM 101 CA ILE A 10 11.208 0.098 -6.413 1.00 0.00 C ATOM 102 C ILE A 10 11.210 1.031 -7.619 1.00 0.00 C ATOM 103 O ILE A 10 11.976 1.993 -7.671 1.00 0.00 O ATOM 104 CB ILE A 10 10.395 0.747 -5.277 1.00 0.00 C ATOM 105 CG1 ILE A 10 10.297 -0.204 -4.083 1.00 0.00 C ATOM 106 CG2 ILE A 10 9.008 1.130 -5.771 1.00 0.00 C ATOM 107 CD1 ILE A 10 10.111 0.504 -2.759 1.00 0.00 C ATOM 0 H ILE A 10 12.946 0.432 -5.289 1.00 0.00 H new ATOM 0 HA ILE A 10 10.741 -0.847 -6.689 1.00 0.00 H new ATOM 0 HB ILE A 10 10.908 1.653 -4.955 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.462 -0.887 -4.241 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.201 -0.811 -4.037 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.445 1.587 -4.957 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.098 1.839 -6.594 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.486 0.238 -6.117 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.050 -0.233 -1.958 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.958 1.167 -2.579 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.192 1.089 -2.785 1.00 0.00 H new ATOM 119 N MET A 11 10.345 0.741 -8.585 1.00 0.00 N ATOM 120 CA MET A 11 10.245 1.556 -9.790 1.00 0.00 C ATOM 121 C MET A 11 9.214 2.666 -9.612 1.00 0.00 C ATOM 122 O MET A 11 9.366 3.760 -10.155 1.00 0.00 O ATOM 123 CB MET A 11 9.870 0.685 -10.991 1.00 0.00 C ATOM 124 CG MET A 11 10.953 -0.307 -11.384 1.00 0.00 C ATOM 125 SD MET A 11 10.651 -1.065 -12.991 1.00 0.00 S ATOM 126 CE MET A 11 12.268 -1.745 -13.355 1.00 0.00 C ATOM 0 H MET A 11 9.704 -0.052 -8.557 1.00 0.00 H new ATOM 0 HA MET A 11 11.218 2.013 -9.971 1.00 0.00 H new ATOM 0 HB2 MET A 11 8.955 0.139 -10.762 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.652 1.329 -11.843 1.00 0.00 H new ATOM 0 HG2 MET A 11 11.917 0.202 -11.402 1.00 0.00 H new ATOM 0 HG3 MET A 11 11.018 -1.087 -10.625 1.00 0.00 H new ATOM 0 HE1 MET A 11 12.242 -2.248 -14.322 1.00 0.00 H new ATOM 0 HE2 MET A 11 13.003 -0.941 -13.384 1.00 0.00 H new ATOM 0 HE3 MET A 11 12.544 -2.461 -12.581 1.00 0.00 H new ATOM 136 N ASP A 12 8.166 2.376 -8.848 1.00 0.00 N ATOM 137 CA ASP A 12 7.110 3.351 -8.597 1.00 0.00 C ATOM 138 C ASP A 12 6.764 3.407 -7.112 1.00 0.00 C ATOM 139 O ASP A 12 6.166 2.479 -6.569 1.00 0.00 O ATOM 140 CB ASP A 12 5.863 3.004 -9.411 1.00 0.00 C ATOM 141 CG ASP A 12 5.001 4.218 -9.695 1.00 0.00 C ATOM 142 OD1 ASP A 12 4.396 4.751 -8.742 1.00 0.00 O ATOM 143 OD2 ASP A 12 4.930 4.635 -10.870 1.00 0.00 O ATOM 0 H ASP A 12 8.025 1.475 -8.392 1.00 0.00 H new ATOM 0 HA ASP A 12 7.474 4.332 -8.904 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.164 2.547 -10.354 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.275 2.263 -8.871 1.00 0.00 H new ATOM 148 N ALA A 13 7.146 4.501 -6.462 1.00 0.00 N ATOM 149 CA ALA A 13 6.876 4.679 -5.040 1.00 0.00 C ATOM 150 C ALA A 13 5.518 5.335 -4.818 1.00 0.00 C ATOM 151 O ALA A 13 5.108 6.234 -5.552 1.00 0.00 O ATOM 152 CB ALA A 13 7.976 5.506 -4.393 1.00 0.00 C ATOM 0 H ALA A 13 7.644 5.278 -6.897 1.00 0.00 H new ATOM 0 HA ALA A 13 6.856 3.694 -4.573 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.761 5.631 -3.332 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.932 4.996 -4.512 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.024 6.485 -4.871 1.00 0.00 H new ATOM 158 N PRO A 14 4.800 4.875 -3.782 1.00 0.00 N ATOM 159 CA PRO A 14 3.476 5.404 -3.439 1.00 0.00 C ATOM 160 C PRO A 14 3.544 6.824 -2.888 1.00 0.00 C ATOM 161 O PRO A 14 4.561 7.235 -2.328 1.00 0.00 O ATOM 162 CB PRO A 14 2.976 4.436 -2.364 1.00 0.00 C ATOM 163 CG PRO A 14 4.214 3.873 -1.756 1.00 0.00 C ATOM 164 CD PRO A 14 5.226 3.804 -2.865 1.00 0.00 C ATOM 0 HA PRO A 14 2.824 5.469 -4.310 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.368 4.950 -1.620 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.355 3.651 -2.796 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.570 4.504 -0.941 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.028 2.885 -1.336 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.238 3.970 -2.496 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.220 2.830 -3.354 1.00 0.00 H new ATOM 172 N ARG A 15 2.456 7.569 -3.051 1.00 0.00 N ATOM 173 CA ARG A 15 2.393 8.944 -2.571 1.00 0.00 C ATOM 174 C ARG A 15 1.087 9.200 -1.825 1.00 0.00 C ATOM 175 O ARG A 15 0.074 8.550 -2.085 1.00 0.00 O ATOM 176 CB ARG A 15 2.525 9.922 -3.740 1.00 0.00 C ATOM 177 CG ARG A 15 2.910 11.330 -3.316 1.00 0.00 C ATOM 178 CD ARG A 15 3.313 12.181 -4.510 1.00 0.00 C ATOM 179 NE ARG A 15 4.086 13.354 -4.110 1.00 0.00 N ATOM 180 CZ ARG A 15 5.396 13.331 -3.890 1.00 0.00 C ATOM 181 NH1 ARG A 15 6.075 12.202 -4.031 1.00 0.00 N ATOM 182 NH2 ARG A 15 6.028 14.440 -3.529 1.00 0.00 N ATOM 0 H ARG A 15 1.606 7.244 -3.512 1.00 0.00 H new ATOM 0 HA ARG A 15 3.222 9.099 -1.881 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.274 9.544 -4.436 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.579 9.960 -4.279 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.071 11.798 -2.801 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.735 11.284 -2.605 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.901 11.579 -5.203 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.419 12.501 -5.045 1.00 0.00 H new ATOM 0 HE ARG A 15 3.593 14.239 -3.993 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.592 11.348 -4.309 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.081 12.187 -3.861 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.508 15.311 -3.420 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.034 14.422 -3.360 1.00 0.00 H new ATOM 196 N ASP A 16 1.118 10.150 -0.896 1.00 0.00 N ATOM 197 CA ASP A 16 -0.063 10.492 -0.113 1.00 0.00 C ATOM 198 C ASP A 16 -1.316 10.476 -0.983 1.00 0.00 C ATOM 199 O ASP A 16 -1.353 11.093 -2.048 1.00 0.00 O ATOM 200 CB ASP A 16 0.107 11.868 0.532 1.00 0.00 C ATOM 201 CG ASP A 16 0.140 12.987 -0.491 1.00 0.00 C ATOM 202 OD1 ASP A 16 -0.920 13.282 -1.083 1.00 0.00 O ATOM 203 OD2 ASP A 16 1.225 13.568 -0.700 1.00 0.00 O ATOM 0 H ASP A 16 1.948 10.696 -0.667 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.177 9.743 0.671 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.711 12.042 1.230 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.030 11.883 1.112 1.00 0.00 H new ATOM 208 N LEU A 17 -2.340 9.765 -0.523 1.00 0.00 N ATOM 209 CA LEU A 17 -3.596 9.667 -1.260 1.00 0.00 C ATOM 210 C LEU A 17 -4.770 10.118 -0.397 1.00 0.00 C ATOM 211 O LEU A 17 -4.722 10.029 0.829 1.00 0.00 O ATOM 212 CB LEU A 17 -3.820 8.231 -1.736 1.00 0.00 C ATOM 213 CG LEU A 17 -5.132 7.965 -2.475 1.00 0.00 C ATOM 214 CD1 LEU A 17 -5.143 8.681 -3.817 1.00 0.00 C ATOM 215 CD2 LEU A 17 -5.345 6.470 -2.663 1.00 0.00 C ATOM 0 H LEU A 17 -2.326 9.248 0.356 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.532 10.325 -2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.994 7.954 -2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.774 7.571 -0.870 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.952 8.355 -1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.084 8.480 -4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.038 9.754 -3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.314 8.322 -4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.283 6.300 -3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.521 6.055 -3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.383 5.983 -1.689 1.00 0.00 H new ATOM 227 N ASN A 18 -5.824 10.601 -1.047 1.00 0.00 N ATOM 228 CA ASN A 18 -7.012 11.064 -0.340 1.00 0.00 C ATOM 229 C ASN A 18 -8.280 10.520 -0.991 1.00 0.00 C ATOM 230 O ASN A 18 -8.631 10.905 -2.107 1.00 0.00 O ATOM 231 CB ASN A 18 -7.053 12.593 -0.316 1.00 0.00 C ATOM 232 CG ASN A 18 -7.439 13.182 -1.659 1.00 0.00 C ATOM 233 OD1 ASN A 18 -6.614 13.276 -2.568 1.00 0.00 O ATOM 234 ND2 ASN A 18 -8.698 13.583 -1.790 1.00 0.00 N ATOM 0 H ASN A 18 -5.879 10.682 -2.062 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.963 10.692 0.683 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.765 12.923 0.441 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.076 12.975 -0.022 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.015 13.988 -2.671 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.348 13.486 -1.010 1.00 0.00 H new ATOM 241 N ILE A 19 -8.963 9.624 -0.287 1.00 0.00 N ATOM 242 CA ILE A 19 -10.193 9.029 -0.796 1.00 0.00 C ATOM 243 C ILE A 19 -11.294 9.056 0.259 1.00 0.00 C ATOM 244 O ILE A 19 -11.019 9.030 1.459 1.00 0.00 O ATOM 245 CB ILE A 19 -9.968 7.575 -1.251 1.00 0.00 C ATOM 246 CG1 ILE A 19 -11.268 6.983 -1.800 1.00 0.00 C ATOM 247 CG2 ILE A 19 -9.442 6.734 -0.097 1.00 0.00 C ATOM 248 CD1 ILE A 19 -11.065 5.710 -2.590 1.00 0.00 C ATOM 0 H ILE A 19 -8.686 9.294 0.637 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.501 9.626 -1.654 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.224 7.570 -2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -11.945 6.782 -0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.754 7.722 -2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.288 5.709 -0.434 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.496 7.147 0.252 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.165 6.743 0.719 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -12.028 5.347 -2.948 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.413 5.910 -3.440 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.607 4.955 -1.951 1.00 0.00 H new ATOM 260 N SER A 20 -12.541 9.105 -0.197 1.00 0.00 N ATOM 261 CA SER A 20 -13.685 9.137 0.708 1.00 0.00 C ATOM 262 C SER A 20 -13.834 7.807 1.441 1.00 0.00 C ATOM 263 O SER A 20 -13.175 6.824 1.105 1.00 0.00 O ATOM 264 CB SER A 20 -14.966 9.452 -0.067 1.00 0.00 C ATOM 265 OG SER A 20 -14.905 10.743 -0.648 1.00 0.00 O ATOM 0 H SER A 20 -12.786 9.123 -1.187 1.00 0.00 H new ATOM 0 HA SER A 20 -13.513 9.921 1.445 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.116 8.705 -0.847 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.824 9.391 0.602 1.00 0.00 H new ATOM 0 HG SER A 20 -15.773 11.187 -0.551 1.00 0.00 H new ATOM 271 N GLU A 21 -14.706 7.787 2.444 1.00 0.00 N ATOM 272 CA GLU A 21 -14.942 6.579 3.226 1.00 0.00 C ATOM 273 C GLU A 21 -15.952 5.670 2.531 1.00 0.00 C ATOM 274 O GLU A 21 -17.026 6.113 2.126 1.00 0.00 O ATOM 275 CB GLU A 21 -15.443 6.940 4.626 1.00 0.00 C ATOM 276 CG GLU A 21 -15.905 5.740 5.435 1.00 0.00 C ATOM 277 CD GLU A 21 -16.938 6.106 6.483 1.00 0.00 C ATOM 278 OE1 GLU A 21 -17.847 6.901 6.167 1.00 0.00 O ATOM 279 OE2 GLU A 21 -16.837 5.597 7.619 1.00 0.00 O ATOM 0 H GLU A 21 -15.260 8.593 2.734 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.997 6.043 3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.646 7.448 5.168 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.268 7.647 4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.325 4.993 4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.044 5.282 5.923 1.00 0.00 H new ATOM 286 N GLY A 22 -15.598 4.395 2.397 1.00 0.00 N ATOM 287 CA GLY A 22 -16.483 3.444 1.751 1.00 0.00 C ATOM 288 C GLY A 22 -16.276 3.386 0.250 1.00 0.00 C ATOM 289 O GLY A 22 -17.197 3.058 -0.498 1.00 0.00 O ATOM 0 H GLY A 22 -14.714 4.004 2.724 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.319 2.454 2.176 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -17.518 3.714 1.962 1.00 0.00 H new ATOM 293 N ARG A 23 -15.064 3.706 -0.191 1.00 0.00 N ATOM 294 CA ARG A 23 -14.740 3.692 -1.612 1.00 0.00 C ATOM 295 C ARG A 23 -13.500 2.843 -1.878 1.00 0.00 C ATOM 296 O ARG A 23 -12.768 2.489 -0.954 1.00 0.00 O ATOM 297 CB ARG A 23 -14.514 5.117 -2.120 1.00 0.00 C ATOM 298 CG ARG A 23 -15.749 5.999 -2.029 1.00 0.00 C ATOM 299 CD ARG A 23 -15.692 7.142 -3.030 1.00 0.00 C ATOM 300 NE ARG A 23 -16.976 7.829 -3.150 1.00 0.00 N ATOM 301 CZ ARG A 23 -17.249 8.714 -4.102 1.00 0.00 C ATOM 302 NH1 ARG A 23 -16.334 9.019 -5.012 1.00 0.00 N ATOM 303 NH2 ARG A 23 -18.441 9.297 -4.145 1.00 0.00 N ATOM 0 H ARG A 23 -14.290 3.978 0.415 1.00 0.00 H new ATOM 0 HA ARG A 23 -15.582 3.253 -2.147 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.708 5.575 -1.546 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.183 5.076 -3.158 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.640 5.399 -2.211 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.836 6.402 -1.020 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.927 7.855 -2.723 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.395 6.756 -4.005 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.702 7.617 -2.466 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.417 8.573 -4.982 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.547 9.699 -5.742 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.148 9.065 -3.447 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.650 9.977 -4.876 1.00 0.00 H new ATOM 317 N MET A 24 -13.271 2.522 -3.147 1.00 0.00 N ATOM 318 CA MET A 24 -12.119 1.715 -3.535 1.00 0.00 C ATOM 319 C MET A 24 -10.857 2.570 -3.609 1.00 0.00 C ATOM 320 O MET A 24 -10.814 3.567 -4.328 1.00 0.00 O ATOM 321 CB MET A 24 -12.372 1.041 -4.885 1.00 0.00 C ATOM 322 CG MET A 24 -11.600 -0.255 -5.071 1.00 0.00 C ATOM 323 SD MET A 24 -12.228 -1.247 -6.439 1.00 0.00 S ATOM 324 CE MET A 24 -11.695 -2.883 -5.943 1.00 0.00 C ATOM 0 H MET A 24 -13.867 2.808 -3.924 1.00 0.00 H new ATOM 0 HA MET A 24 -11.973 0.947 -2.776 1.00 0.00 H new ATOM 0 HB2 MET A 24 -13.438 0.837 -4.986 1.00 0.00 H new ATOM 0 HB3 MET A 24 -12.103 1.733 -5.683 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.549 -0.025 -5.246 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.650 -0.838 -4.152 1.00 0.00 H new ATOM 0 HE1 MET A 24 -11.494 -3.484 -6.829 1.00 0.00 H new ATOM 0 HE2 MET A 24 -10.788 -2.804 -5.344 1.00 0.00 H new ATOM 0 HE3 MET A 24 -12.479 -3.358 -5.353 1.00 0.00 H new ATOM 334 N ALA A 25 -9.834 2.172 -2.860 1.00 0.00 N ATOM 335 CA ALA A 25 -8.572 2.900 -2.843 1.00 0.00 C ATOM 336 C ALA A 25 -7.420 2.014 -3.304 1.00 0.00 C ATOM 337 O ALA A 25 -7.498 0.788 -3.224 1.00 0.00 O ATOM 338 CB ALA A 25 -8.296 3.445 -1.449 1.00 0.00 C ATOM 0 H ALA A 25 -9.855 1.349 -2.257 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.654 3.735 -3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.350 3.987 -1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.100 4.120 -1.156 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.240 2.619 -0.740 1.00 0.00 H new ATOM 344 N GLU A 26 -6.353 2.642 -3.788 1.00 0.00 N ATOM 345 CA GLU A 26 -5.186 1.908 -4.263 1.00 0.00 C ATOM 346 C GLU A 26 -3.908 2.711 -4.036 1.00 0.00 C ATOM 347 O GLU A 26 -3.899 3.936 -4.168 1.00 0.00 O ATOM 348 CB GLU A 26 -5.335 1.576 -5.749 1.00 0.00 C ATOM 349 CG GLU A 26 -6.687 0.983 -6.108 1.00 0.00 C ATOM 350 CD GLU A 26 -7.765 2.038 -6.263 1.00 0.00 C ATOM 351 OE1 GLU A 26 -7.431 3.170 -6.673 1.00 0.00 O ATOM 352 OE2 GLU A 26 -8.941 1.734 -5.974 1.00 0.00 O ATOM 0 H GLU A 26 -6.273 3.656 -3.861 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.117 0.980 -3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.179 2.483 -6.333 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.552 0.874 -6.036 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.598 0.421 -7.038 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.986 0.275 -5.335 1.00 0.00 H new ATOM 359 N LEU A 27 -2.831 2.014 -3.693 1.00 0.00 N ATOM 360 CA LEU A 27 -1.547 2.661 -3.446 1.00 0.00 C ATOM 361 C LEU A 27 -0.573 2.389 -4.588 1.00 0.00 C ATOM 362 O LEU A 27 -0.134 1.257 -4.789 1.00 0.00 O ATOM 363 CB LEU A 27 -0.952 2.170 -2.125 1.00 0.00 C ATOM 364 CG LEU A 27 -1.347 2.960 -0.877 1.00 0.00 C ATOM 365 CD1 LEU A 27 -1.188 2.103 0.369 1.00 0.00 C ATOM 366 CD2 LEU A 27 -0.514 4.229 -0.763 1.00 0.00 C ATOM 0 H LEU A 27 -2.821 1.000 -3.579 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.715 3.736 -3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.246 1.130 -1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.134 2.185 -2.211 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.395 3.244 -0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.474 2.682 1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.827 1.224 0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.149 1.788 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.809 4.779 0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.542 3.966 -0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.678 4.852 -1.642 1.00 0.00 H new ATOM 378 N LYS A 28 -0.236 3.437 -5.332 1.00 0.00 N ATOM 379 CA LYS A 28 0.690 3.314 -6.452 1.00 0.00 C ATOM 380 C LYS A 28 2.037 2.769 -5.988 1.00 0.00 C ATOM 381 O LYS A 28 2.868 3.509 -5.461 1.00 0.00 O ATOM 382 CB LYS A 28 0.884 4.672 -7.131 1.00 0.00 C ATOM 383 CG LYS A 28 -0.298 5.101 -7.983 1.00 0.00 C ATOM 384 CD LYS A 28 -0.191 4.560 -9.399 1.00 0.00 C ATOM 385 CE LYS A 28 -1.561 4.401 -10.040 1.00 0.00 C ATOM 386 NZ LYS A 28 -1.461 4.059 -11.486 1.00 0.00 N ATOM 0 H LYS A 28 -0.590 4.381 -5.180 1.00 0.00 H new ATOM 0 HA LYS A 28 0.262 2.613 -7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.064 5.428 -6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.776 4.632 -7.756 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.223 4.749 -7.527 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.351 6.189 -8.011 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.418 5.234 -10.002 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.319 3.597 -9.384 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.117 3.621 -9.520 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.126 5.326 -9.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.416 3.959 -11.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.953 4.815 -11.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.944 3.163 -11.596 1.00 0.00 H new ATOM 400 N CYS A 29 2.246 1.473 -6.188 1.00 0.00 N ATOM 401 CA CYS A 29 3.493 0.829 -5.790 1.00 0.00 C ATOM 402 C CYS A 29 3.795 -0.369 -6.684 1.00 0.00 C ATOM 403 O CYS A 29 2.971 -1.272 -6.828 1.00 0.00 O ATOM 404 CB CYS A 29 3.417 0.384 -4.329 1.00 0.00 C ATOM 405 SG CYS A 29 4.725 -0.765 -3.838 1.00 0.00 S ATOM 0 H CYS A 29 1.568 0.847 -6.623 1.00 0.00 H new ATOM 0 HA CYS A 29 4.299 1.554 -5.900 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.463 1.265 -3.689 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.450 -0.087 -4.154 1.00 0.00 H new ATOM 0 HG CYS A 29 4.210 -1.936 -3.606 1.00 0.00 H new ATOM 411 N ARG A 30 4.981 -0.369 -7.283 1.00 0.00 N ATOM 412 CA ARG A 30 5.392 -1.454 -8.166 1.00 0.00 C ATOM 413 C ARG A 30 6.802 -1.929 -7.825 1.00 0.00 C ATOM 414 O ARG A 30 7.697 -1.121 -7.573 1.00 0.00 O ATOM 415 CB ARG A 30 5.333 -1.003 -9.626 1.00 0.00 C ATOM 416 CG ARG A 30 6.551 -0.208 -10.068 1.00 0.00 C ATOM 417 CD ARG A 30 6.502 0.105 -11.555 1.00 0.00 C ATOM 418 NE ARG A 30 7.383 1.216 -11.909 1.00 0.00 N ATOM 419 CZ ARG A 30 7.656 1.567 -13.161 1.00 0.00 C ATOM 420 NH1 ARG A 30 7.121 0.897 -14.172 1.00 0.00 N ATOM 421 NH2 ARG A 30 8.467 2.589 -13.402 1.00 0.00 N ATOM 0 H ARG A 30 5.675 0.371 -7.173 1.00 0.00 H new ATOM 0 HA ARG A 30 4.703 -2.286 -8.022 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.231 -1.880 -10.265 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.440 -0.396 -9.774 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.606 0.721 -9.501 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.456 -0.772 -9.843 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.789 -0.781 -12.122 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.479 0.348 -11.841 1.00 0.00 H new ATOM 0 HE ARG A 30 7.812 1.751 -11.154 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.498 0.110 -13.990 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.332 1.168 -15.132 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.881 3.105 -12.626 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.676 2.858 -14.363 1.00 0.00 H new ATOM 435 N THR A 31 6.993 -3.244 -7.819 1.00 0.00 N ATOM 436 CA THR A 31 8.292 -3.826 -7.508 1.00 0.00 C ATOM 437 C THR A 31 8.728 -4.807 -8.590 1.00 0.00 C ATOM 438 O THR A 31 7.911 -5.361 -9.326 1.00 0.00 O ATOM 439 CB THR A 31 8.271 -4.554 -6.150 1.00 0.00 C ATOM 440 OG1 THR A 31 7.030 -5.249 -5.985 1.00 0.00 O ATOM 441 CG2 THR A 31 8.462 -3.569 -5.006 1.00 0.00 C ATOM 0 H THR A 31 6.264 -3.927 -8.026 1.00 0.00 H new ATOM 0 HA THR A 31 9.004 -3.002 -7.460 1.00 0.00 H new ATOM 0 HB THR A 31 9.092 -5.270 -6.134 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.530 -5.231 -6.828 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.444 -4.105 -4.057 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.421 -3.063 -5.118 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.659 -2.833 -5.022 1.00 0.00 H new ATOM 449 N PRO A 32 10.047 -5.030 -8.691 1.00 0.00 N ATOM 450 CA PRO A 32 10.622 -5.946 -9.681 1.00 0.00 C ATOM 451 C PRO A 32 10.300 -7.405 -9.375 1.00 0.00 C ATOM 452 O PRO A 32 9.787 -7.742 -8.308 1.00 0.00 O ATOM 453 CB PRO A 32 12.127 -5.695 -9.564 1.00 0.00 C ATOM 454 CG PRO A 32 12.320 -5.186 -8.178 1.00 0.00 C ATOM 455 CD PRO A 32 11.079 -4.404 -7.847 1.00 0.00 C ATOM 0 HA PRO A 32 10.223 -5.770 -10.680 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.695 -6.610 -9.732 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.466 -4.969 -10.303 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.462 -6.008 -7.477 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.207 -4.556 -8.114 1.00 0.00 H new ATOM 0 HD2 PRO A 32 10.830 -4.475 -6.788 1.00 0.00 H new ATOM 0 HD3 PRO A 32 11.198 -3.345 -8.076 1.00 0.00 H new ATOM 463 N PRO A 33 10.607 -8.293 -10.333 1.00 0.00 N ATOM 464 CA PRO A 33 10.359 -9.730 -10.189 1.00 0.00 C ATOM 465 C PRO A 33 11.280 -10.376 -9.158 1.00 0.00 C ATOM 466 O PRO A 33 12.366 -9.870 -8.880 1.00 0.00 O ATOM 467 CB PRO A 33 10.650 -10.282 -11.586 1.00 0.00 C ATOM 468 CG PRO A 33 11.598 -9.304 -12.190 1.00 0.00 C ATOM 469 CD PRO A 33 11.219 -7.961 -11.630 1.00 0.00 C ATOM 0 HA PRO A 33 9.348 -9.936 -9.837 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.089 -11.278 -11.534 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.738 -10.366 -12.177 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.629 -9.554 -11.940 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.524 -9.309 -13.277 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.089 -7.315 -11.510 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.520 -7.437 -12.282 1.00 0.00 H new ATOM 477 N MET A 34 10.837 -11.496 -8.596 1.00 0.00 N ATOM 478 CA MET A 34 11.623 -12.212 -7.598 1.00 0.00 C ATOM 479 C MET A 34 11.985 -11.296 -6.432 1.00 0.00 C ATOM 480 O MET A 34 13.154 -11.173 -6.067 1.00 0.00 O ATOM 481 CB MET A 34 12.896 -12.779 -8.230 1.00 0.00 C ATOM 482 CG MET A 34 12.657 -13.469 -9.563 1.00 0.00 C ATOM 483 SD MET A 34 13.971 -14.626 -9.991 1.00 0.00 S ATOM 484 CE MET A 34 13.049 -15.864 -10.900 1.00 0.00 C ATOM 0 H MET A 34 9.939 -11.927 -8.815 1.00 0.00 H new ATOM 0 HA MET A 34 11.018 -13.035 -7.217 1.00 0.00 H new ATOM 0 HB2 MET A 34 13.613 -11.970 -8.372 1.00 0.00 H new ATOM 0 HB3 MET A 34 13.350 -13.489 -7.539 1.00 0.00 H new ATOM 0 HG2 MET A 34 11.707 -14.002 -9.527 1.00 0.00 H new ATOM 0 HG3 MET A 34 12.571 -12.717 -10.347 1.00 0.00 H new ATOM 0 HE1 MET A 34 13.726 -16.651 -11.233 1.00 0.00 H new ATOM 0 HE2 MET A 34 12.283 -16.294 -10.255 1.00 0.00 H new ATOM 0 HE3 MET A 34 12.576 -15.402 -11.767 1.00 0.00 H new ATOM 494 N SER A 35 10.974 -10.657 -5.852 1.00 0.00 N ATOM 495 CA SER A 35 11.186 -9.749 -4.731 1.00 0.00 C ATOM 496 C SER A 35 10.071 -9.890 -3.699 1.00 0.00 C ATOM 497 O SER A 35 8.920 -10.153 -4.046 1.00 0.00 O ATOM 498 CB SER A 35 11.260 -8.303 -5.224 1.00 0.00 C ATOM 499 OG SER A 35 10.059 -7.923 -5.872 1.00 0.00 O ATOM 0 H SER A 35 10.000 -10.751 -6.140 1.00 0.00 H new ATOM 0 HA SER A 35 12.132 -10.012 -4.257 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.449 -7.638 -4.382 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.099 -8.192 -5.912 1.00 0.00 H new ATOM 0 HG SER A 35 10.083 -8.220 -6.806 1.00 0.00 H new ATOM 505 N SER A 36 10.422 -9.714 -2.429 1.00 0.00 N ATOM 506 CA SER A 36 9.453 -9.825 -1.346 1.00 0.00 C ATOM 507 C SER A 36 8.857 -8.462 -1.009 1.00 0.00 C ATOM 508 O SER A 36 9.541 -7.585 -0.480 1.00 0.00 O ATOM 509 CB SER A 36 10.112 -10.427 -0.103 1.00 0.00 C ATOM 510 OG SER A 36 9.177 -11.166 0.663 1.00 0.00 O ATOM 0 H SER A 36 11.371 -9.494 -2.125 1.00 0.00 H new ATOM 0 HA SER A 36 8.649 -10.482 -1.677 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.935 -11.076 -0.402 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.539 -9.631 0.508 1.00 0.00 H new ATOM 0 HG SER A 36 9.623 -11.542 1.450 1.00 0.00 H new ATOM 516 N VAL A 37 7.575 -8.290 -1.319 1.00 0.00 N ATOM 517 CA VAL A 37 6.885 -7.035 -1.049 1.00 0.00 C ATOM 518 C VAL A 37 5.834 -7.209 0.042 1.00 0.00 C ATOM 519 O VAL A 37 5.106 -8.202 0.065 1.00 0.00 O ATOM 520 CB VAL A 37 6.206 -6.483 -2.317 1.00 0.00 C ATOM 521 CG1 VAL A 37 5.235 -7.504 -2.890 1.00 0.00 C ATOM 522 CG2 VAL A 37 5.498 -5.172 -2.014 1.00 0.00 C ATOM 0 H VAL A 37 6.994 -9.005 -1.757 1.00 0.00 H new ATOM 0 HA VAL A 37 7.640 -6.325 -0.712 1.00 0.00 H new ATOM 0 HB VAL A 37 6.975 -6.289 -3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.765 -7.097 -3.785 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.775 -8.416 -3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.468 -7.733 -2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.024 -4.796 -2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.739 -5.337 -1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.223 -4.442 -1.654 1.00 0.00 H new ATOM 532 N LYS A 38 5.759 -6.238 0.945 1.00 0.00 N ATOM 533 CA LYS A 38 4.796 -6.281 2.038 1.00 0.00 C ATOM 534 C LYS A 38 4.266 -4.886 2.352 1.00 0.00 C ATOM 535 O LYS A 38 4.717 -3.896 1.776 1.00 0.00 O ATOM 536 CB LYS A 38 5.439 -6.887 3.288 1.00 0.00 C ATOM 537 CG LYS A 38 5.767 -8.364 3.148 1.00 0.00 C ATOM 538 CD LYS A 38 5.725 -9.074 4.490 1.00 0.00 C ATOM 539 CE LYS A 38 6.959 -8.764 5.324 1.00 0.00 C ATOM 540 NZ LYS A 38 8.151 -9.524 4.855 1.00 0.00 N ATOM 0 H LYS A 38 6.355 -5.410 0.941 1.00 0.00 H new ATOM 0 HA LYS A 38 3.959 -6.907 1.727 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.354 -6.340 3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.766 -6.751 4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.058 -8.832 2.465 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.757 -8.478 2.706 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.831 -8.771 5.035 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.653 -10.150 4.331 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.169 -7.695 5.279 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.762 -9.006 6.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.944 -9.364 5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.926 -10.539 4.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.417 -9.200 3.903 1.00 0.00 H new ATOM 554 N TRP A 39 3.308 -4.815 3.270 1.00 0.00 N ATOM 555 CA TRP A 39 2.718 -3.540 3.661 1.00 0.00 C ATOM 556 C TRP A 39 2.398 -3.522 5.151 1.00 0.00 C ATOM 557 O TRP A 39 1.682 -4.390 5.653 1.00 0.00 O ATOM 558 CB TRP A 39 1.448 -3.272 2.851 1.00 0.00 C ATOM 559 CG TRP A 39 1.721 -2.749 1.473 1.00 0.00 C ATOM 560 CD1 TRP A 39 1.900 -3.486 0.338 1.00 0.00 C ATOM 561 CD2 TRP A 39 1.848 -1.376 1.088 1.00 0.00 C ATOM 562 NE1 TRP A 39 2.131 -2.653 -0.731 1.00 0.00 N ATOM 563 CE2 TRP A 39 2.103 -1.354 -0.297 1.00 0.00 C ATOM 564 CE3 TRP A 39 1.769 -0.163 1.777 1.00 0.00 C ATOM 565 CZ2 TRP A 39 2.280 -0.167 -1.003 1.00 0.00 C ATOM 566 CZ3 TRP A 39 1.945 1.014 1.075 1.00 0.00 C ATOM 567 CH2 TRP A 39 2.198 1.006 -0.303 1.00 0.00 C ATOM 0 H TRP A 39 2.924 -5.625 3.757 1.00 0.00 H new ATOM 0 HA TRP A 39 3.445 -2.754 3.455 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.873 -4.195 2.774 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.828 -2.554 3.388 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.865 -4.564 0.287 1.00 0.00 H new ATOM 0 HE1 TRP A 39 2.296 -2.953 -1.692 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.574 -0.146 2.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.475 -0.172 -2.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.886 1.957 1.598 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.331 1.943 -0.823 1.00 0.00 H new ATOM 578 N LEU A 40 2.933 -2.531 5.855 1.00 0.00 N ATOM 579 CA LEU A 40 2.704 -2.401 7.290 1.00 0.00 C ATOM 580 C LEU A 40 1.626 -1.360 7.578 1.00 0.00 C ATOM 581 O LEU A 40 1.711 -0.220 7.120 1.00 0.00 O ATOM 582 CB LEU A 40 4.002 -2.016 8.001 1.00 0.00 C ATOM 583 CG LEU A 40 3.972 -2.069 9.529 1.00 0.00 C ATOM 584 CD1 LEU A 40 5.359 -2.361 10.081 1.00 0.00 C ATOM 585 CD2 LEU A 40 3.434 -0.763 10.097 1.00 0.00 C ATOM 0 H LEU A 40 3.528 -1.805 5.456 1.00 0.00 H new ATOM 0 HA LEU A 40 2.362 -3.365 7.667 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.795 -2.677 7.650 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.273 -1.005 7.698 1.00 0.00 H new ATOM 0 HG LEU A 40 3.306 -2.877 9.832 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.318 -2.395 11.170 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.707 -3.322 9.701 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.048 -1.576 9.768 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.420 -0.818 11.186 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.075 0.061 9.784 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.422 -0.596 9.729 1.00 0.00 H new ATOM 597 N LEU A 41 0.614 -1.760 8.340 1.00 0.00 N ATOM 598 CA LEU A 41 -0.480 -0.861 8.691 1.00 0.00 C ATOM 599 C LEU A 41 -0.122 -0.016 9.909 1.00 0.00 C ATOM 600 O LEU A 41 0.662 -0.421 10.767 1.00 0.00 O ATOM 601 CB LEU A 41 -1.754 -1.661 8.968 1.00 0.00 C ATOM 602 CG LEU A 41 -2.199 -2.620 7.863 1.00 0.00 C ATOM 603 CD1 LEU A 41 -2.419 -1.868 6.560 1.00 0.00 C ATOM 604 CD2 LEU A 41 -1.173 -3.728 7.675 1.00 0.00 C ATOM 0 H LEU A 41 0.528 -2.700 8.726 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.653 -0.193 7.847 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.606 -2.236 9.882 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.565 -0.959 9.160 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.145 -3.074 8.160 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.735 -2.567 5.786 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.190 -1.111 6.703 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.490 -1.386 6.257 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.505 -4.401 6.885 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.213 -3.292 7.400 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.065 -4.286 8.605 1.00 0.00 H new ATOM 616 N PRO A 42 -0.709 1.187 9.989 1.00 0.00 N ATOM 617 CA PRO A 42 -0.469 2.113 11.099 1.00 0.00 C ATOM 618 C PRO A 42 -1.077 1.620 12.407 1.00 0.00 C ATOM 619 O PRO A 42 -1.016 2.305 13.428 1.00 0.00 O ATOM 620 CB PRO A 42 -1.157 3.402 10.641 1.00 0.00 C ATOM 621 CG PRO A 42 -2.210 2.951 9.689 1.00 0.00 C ATOM 622 CD PRO A 42 -1.654 1.735 9.001 1.00 0.00 C ATOM 0 HA PRO A 42 0.594 2.232 11.308 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.590 3.941 11.484 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.451 4.078 10.159 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.135 2.713 10.214 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.445 3.734 8.968 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.438 1.019 8.754 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.154 1.994 8.068 1.00 0.00 H new ATOM 630 N ASN A 43 -1.665 0.429 12.370 1.00 0.00 N ATOM 631 CA ASN A 43 -2.285 -0.156 13.553 1.00 0.00 C ATOM 632 C ASN A 43 -1.381 -1.217 14.173 1.00 0.00 C ATOM 633 O ASN A 43 -1.744 -1.859 15.157 1.00 0.00 O ATOM 634 CB ASN A 43 -3.639 -0.770 13.194 1.00 0.00 C ATOM 635 CG ASN A 43 -3.503 -2.138 12.554 1.00 0.00 C ATOM 636 OD1 ASN A 43 -3.518 -2.174 11.227 1.00 0.00 O flip ATOM 637 ND2 ASN A 43 -3.386 -3.150 13.245 1.00 0.00 N flip ATOM 0 H ASN A 43 -1.725 -0.150 11.533 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.436 0.639 14.284 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.248 -0.852 14.095 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.167 -0.104 12.512 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.379 -3.075 14.262 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.296 -4.064 12.800 1.00 0.00 H new ATOM 644 N GLY A 44 -0.200 -1.396 13.588 1.00 0.00 N ATOM 645 CA GLY A 44 0.738 -2.380 14.096 1.00 0.00 C ATOM 646 C GLY A 44 0.528 -3.751 13.485 1.00 0.00 C ATOM 647 O GLY A 44 0.282 -4.726 14.195 1.00 0.00 O ATOM 0 H GLY A 44 0.123 -0.877 12.772 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.756 -2.047 13.892 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.636 -2.449 15.179 1.00 0.00 H new ATOM 651 N THR A 45 0.623 -3.828 12.161 1.00 0.00 N ATOM 652 CA THR A 45 0.440 -5.088 11.453 1.00 0.00 C ATOM 653 C THR A 45 1.082 -5.042 10.072 1.00 0.00 C ATOM 654 O THR A 45 1.432 -3.972 9.574 1.00 0.00 O ATOM 655 CB THR A 45 -1.054 -5.434 11.301 1.00 0.00 C ATOM 656 OG1 THR A 45 -1.674 -5.504 12.589 1.00 0.00 O ATOM 657 CG2 THR A 45 -1.231 -6.759 10.574 1.00 0.00 C ATOM 0 H THR A 45 0.826 -3.031 11.557 1.00 0.00 H new ATOM 0 HA THR A 45 0.926 -5.860 12.050 1.00 0.00 H new ATOM 0 HB THR A 45 -1.528 -4.649 10.713 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.983 -5.535 13.283 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.294 -6.982 10.478 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.784 -6.693 9.582 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.743 -7.553 11.140 1.00 0.00 H new ATOM 665 N VAL A 46 1.235 -6.210 9.455 1.00 0.00 N ATOM 666 CA VAL A 46 1.834 -6.303 8.129 1.00 0.00 C ATOM 667 C VAL A 46 1.215 -7.440 7.325 1.00 0.00 C ATOM 668 O VAL A 46 0.995 -8.535 7.844 1.00 0.00 O ATOM 669 CB VAL A 46 3.357 -6.518 8.216 1.00 0.00 C ATOM 670 CG1 VAL A 46 3.897 -7.043 6.894 1.00 0.00 C ATOM 671 CG2 VAL A 46 4.056 -5.227 8.612 1.00 0.00 C ATOM 0 H VAL A 46 0.952 -7.105 9.853 1.00 0.00 H new ATOM 0 HA VAL A 46 1.637 -5.357 7.625 1.00 0.00 H new ATOM 0 HB VAL A 46 3.558 -7.263 8.986 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.974 -7.189 6.973 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.418 -7.993 6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.686 -6.323 6.103 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.131 -5.398 8.669 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.849 -4.458 7.867 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.689 -4.898 9.584 1.00 0.00 H new ATOM 681 N LEU A 47 0.938 -7.174 6.053 1.00 0.00 N ATOM 682 CA LEU A 47 0.344 -8.176 5.174 1.00 0.00 C ATOM 683 C LEU A 47 1.265 -8.482 3.997 1.00 0.00 C ATOM 684 O LEU A 47 2.200 -7.733 3.717 1.00 0.00 O ATOM 685 CB LEU A 47 -1.014 -7.693 4.662 1.00 0.00 C ATOM 686 CG LEU A 47 -2.077 -7.426 5.728 1.00 0.00 C ATOM 687 CD1 LEU A 47 -3.272 -6.708 5.121 1.00 0.00 C ATOM 688 CD2 LEU A 47 -2.511 -8.727 6.386 1.00 0.00 C ATOM 0 H LEU A 47 1.115 -6.274 5.607 1.00 0.00 H new ATOM 0 HA LEU A 47 0.204 -9.091 5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.860 -6.776 4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.404 -8.437 3.967 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.643 -6.783 6.494 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.018 -6.526 5.894 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.949 -5.757 4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.707 -7.326 4.335 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.268 -8.518 7.142 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.927 -9.395 5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.650 -9.202 6.856 1.00 0.00 H new ATOM 700 N SER A 48 0.992 -9.587 3.311 1.00 0.00 N ATOM 701 CA SER A 48 1.797 -9.993 2.165 1.00 0.00 C ATOM 702 C SER A 48 0.986 -10.870 1.215 1.00 0.00 C ATOM 703 O SER A 48 -0.195 -11.130 1.447 1.00 0.00 O ATOM 704 CB SER A 48 3.044 -10.746 2.632 1.00 0.00 C ATOM 705 OG SER A 48 3.995 -10.855 1.587 1.00 0.00 O ATOM 0 H SER A 48 0.220 -10.217 3.529 1.00 0.00 H new ATOM 0 HA SER A 48 2.103 -9.094 1.630 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.489 -10.227 3.481 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.764 -11.741 2.978 1.00 0.00 H new ATOM 0 HG SER A 48 4.783 -11.339 1.911 1.00 0.00 H new ATOM 711 N HIS A 49 1.629 -11.322 0.143 1.00 0.00 N ATOM 712 CA HIS A 49 0.969 -12.170 -0.843 1.00 0.00 C ATOM 713 C HIS A 49 0.363 -13.403 -0.181 1.00 0.00 C ATOM 714 O HIS A 49 -0.512 -14.058 -0.748 1.00 0.00 O ATOM 715 CB HIS A 49 1.960 -12.595 -1.927 1.00 0.00 C ATOM 716 CG HIS A 49 1.321 -12.846 -3.258 1.00 0.00 C ATOM 717 ND1 HIS A 49 0.505 -11.929 -3.886 1.00 0.00 N ATOM 718 CD2 HIS A 49 1.384 -13.919 -4.082 1.00 0.00 C ATOM 719 CE1 HIS A 49 0.091 -12.428 -5.038 1.00 0.00 C ATOM 720 NE2 HIS A 49 0.611 -13.634 -5.181 1.00 0.00 N ATOM 0 H HIS A 49 2.606 -11.115 -0.065 1.00 0.00 H new ATOM 0 HA HIS A 49 0.166 -11.593 -1.301 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.719 -11.820 -2.038 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.474 -13.500 -1.603 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.939 -14.829 -3.907 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.561 -11.934 -5.743 1.00 0.00 H new ATOM 0 HE2 HIS A 49 0.463 -14.253 -5.978 1.00 0.00 H new ATOM 729 N ALA A 50 0.833 -13.714 1.023 1.00 0.00 N ATOM 730 CA ALA A 50 0.337 -14.868 1.762 1.00 0.00 C ATOM 731 C ALA A 50 -1.027 -14.578 2.380 1.00 0.00 C ATOM 732 O ALA A 50 -2.018 -15.232 2.054 1.00 0.00 O ATOM 733 CB ALA A 50 1.331 -15.271 2.841 1.00 0.00 C ATOM 0 H ALA A 50 1.557 -13.183 1.507 1.00 0.00 H new ATOM 0 HA ALA A 50 0.222 -15.695 1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.947 -16.134 3.385 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.285 -15.527 2.380 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.474 -14.441 3.532 1.00 0.00 H new ATOM 739 N SER A 51 -1.071 -13.595 3.273 1.00 0.00 N ATOM 740 CA SER A 51 -2.313 -13.222 3.939 1.00 0.00 C ATOM 741 C SER A 51 -3.447 -13.070 2.929 1.00 0.00 C ATOM 742 O SER A 51 -3.275 -12.463 1.872 1.00 0.00 O ATOM 743 CB SER A 51 -2.129 -11.916 4.715 1.00 0.00 C ATOM 744 OG SER A 51 -1.033 -12.005 5.610 1.00 0.00 O ATOM 0 H SER A 51 -0.260 -13.042 3.552 1.00 0.00 H new ATOM 0 HA SER A 51 -2.574 -14.018 4.637 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.967 -11.094 4.017 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.039 -11.688 5.270 1.00 0.00 H new ATOM 0 HG SER A 51 -0.935 -11.158 6.093 1.00 0.00 H new ATOM 750 N ARG A 52 -4.607 -13.627 3.263 1.00 0.00 N ATOM 751 CA ARG A 52 -5.769 -13.556 2.386 1.00 0.00 C ATOM 752 C ARG A 52 -6.708 -12.434 2.819 1.00 0.00 C ATOM 753 O ARG A 52 -7.927 -12.538 2.672 1.00 0.00 O ATOM 754 CB ARG A 52 -6.517 -14.890 2.387 1.00 0.00 C ATOM 755 CG ARG A 52 -5.808 -15.986 1.608 1.00 0.00 C ATOM 756 CD ARG A 52 -6.205 -15.973 0.140 1.00 0.00 C ATOM 757 NE ARG A 52 -5.260 -16.716 -0.689 1.00 0.00 N ATOM 758 CZ ARG A 52 -5.188 -18.043 -0.712 1.00 0.00 C ATOM 759 NH1 ARG A 52 -6.000 -18.768 0.044 1.00 0.00 N ATOM 760 NH2 ARG A 52 -4.301 -18.646 -1.493 1.00 0.00 N ATOM 0 H ARG A 52 -4.767 -14.132 4.135 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.419 -13.344 1.376 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.655 -15.219 3.417 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.511 -14.740 1.965 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.729 -15.856 1.695 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.049 -16.956 2.042 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.200 -16.404 0.030 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.263 -14.943 -0.211 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.620 -16.188 -1.283 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.683 -18.308 0.646 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.942 -19.786 0.024 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.674 -18.091 -2.076 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.246 -19.664 -1.511 1.00 0.00 H new ATOM 774 N HIS A 53 -6.134 -11.361 3.353 1.00 0.00 N ATOM 775 CA HIS A 53 -6.919 -10.219 3.807 1.00 0.00 C ATOM 776 C HIS A 53 -7.884 -9.756 2.719 1.00 0.00 C ATOM 777 O HIS A 53 -7.540 -9.687 1.539 1.00 0.00 O ATOM 778 CB HIS A 53 -5.998 -9.067 4.211 1.00 0.00 C ATOM 779 CG HIS A 53 -6.682 -8.009 5.020 1.00 0.00 C ATOM 780 ND1 HIS A 53 -7.656 -7.179 4.504 1.00 0.00 N ATOM 781 CD2 HIS A 53 -6.530 -7.647 6.316 1.00 0.00 C ATOM 782 CE1 HIS A 53 -8.071 -6.352 5.447 1.00 0.00 C ATOM 783 NE2 HIS A 53 -7.404 -6.616 6.556 1.00 0.00 N ATOM 0 H HIS A 53 -5.127 -11.258 3.482 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.500 -10.531 4.675 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.161 -9.466 4.783 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.582 -8.613 3.312 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.848 -8.087 7.028 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.827 -5.590 5.331 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.520 -6.132 7.446 1.00 0.00 H new ATOM 792 N PRO A 54 -9.121 -9.432 3.123 1.00 0.00 N ATOM 793 CA PRO A 54 -10.161 -8.971 2.198 1.00 0.00 C ATOM 794 C PRO A 54 -9.871 -7.579 1.647 1.00 0.00 C ATOM 795 O PRO A 54 -9.210 -7.434 0.619 1.00 0.00 O ATOM 796 CB PRO A 54 -11.423 -8.952 3.064 1.00 0.00 C ATOM 797 CG PRO A 54 -10.924 -8.779 4.457 1.00 0.00 C ATOM 798 CD PRO A 54 -9.601 -9.491 4.514 1.00 0.00 C ATOM 0 HA PRO A 54 -10.240 -9.613 1.320 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.088 -8.137 2.777 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -11.990 -9.877 2.958 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.810 -7.723 4.702 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.625 -9.200 5.178 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.910 -9.000 5.199 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.713 -10.520 4.857 1.00 0.00 H new ATOM 806 N ARG A 55 -10.369 -6.559 2.338 1.00 0.00 N ATOM 807 CA ARG A 55 -10.163 -5.178 1.918 1.00 0.00 C ATOM 808 C ARG A 55 -8.741 -4.973 1.404 1.00 0.00 C ATOM 809 O ARG A 55 -8.535 -4.640 0.236 1.00 0.00 O ATOM 810 CB ARG A 55 -10.441 -4.222 3.079 1.00 0.00 C ATOM 811 CG ARG A 55 -11.903 -4.171 3.490 1.00 0.00 C ATOM 812 CD ARG A 55 -12.221 -2.899 4.261 1.00 0.00 C ATOM 813 NE ARG A 55 -11.069 -2.415 5.016 1.00 0.00 N ATOM 814 CZ ARG A 55 -10.740 -2.863 6.223 1.00 0.00 C ATOM 815 NH1 ARG A 55 -11.472 -3.801 6.807 1.00 0.00 N ATOM 816 NH2 ARG A 55 -9.676 -2.372 6.847 1.00 0.00 N ATOM 0 H ARG A 55 -10.918 -6.663 3.191 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.859 -4.964 1.107 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.841 -4.523 3.938 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.116 -3.220 2.799 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.534 -4.227 2.603 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.140 -5.039 4.105 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.550 -2.126 3.566 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.049 -3.087 4.944 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.485 -1.693 4.594 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.290 -4.181 6.330 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.218 -4.143 7.734 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.110 -1.650 6.400 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.424 -2.716 7.773 1.00 0.00 H new ATOM 830 N ILE A 56 -7.765 -5.172 2.283 1.00 0.00 N ATOM 831 CA ILE A 56 -6.364 -5.009 1.918 1.00 0.00 C ATOM 832 C ILE A 56 -5.880 -6.174 1.061 1.00 0.00 C ATOM 833 O ILE A 56 -5.795 -7.309 1.529 1.00 0.00 O ATOM 834 CB ILE A 56 -5.467 -4.897 3.165 1.00 0.00 C ATOM 835 CG1 ILE A 56 -5.956 -3.766 4.072 1.00 0.00 C ATOM 836 CG2 ILE A 56 -4.019 -4.667 2.757 1.00 0.00 C ATOM 837 CD1 ILE A 56 -5.394 -3.830 5.475 1.00 0.00 C ATOM 0 H ILE A 56 -7.919 -5.446 3.253 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.293 -4.085 1.345 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.524 -5.833 3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.686 -2.810 3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.044 -3.797 4.124 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.397 -4.590 3.649 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.676 -5.502 2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.945 -3.744 2.183 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.784 -2.998 6.061 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.686 -4.771 5.941 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.307 -3.768 5.435 1.00 0.00 H new ATOM 849 N SER A 57 -5.562 -5.884 -0.197 1.00 0.00 N ATOM 850 CA SER A 57 -5.088 -6.907 -1.121 1.00 0.00 C ATOM 851 C SER A 57 -3.799 -6.465 -1.807 1.00 0.00 C ATOM 852 O SER A 57 -3.763 -5.437 -2.483 1.00 0.00 O ATOM 853 CB SER A 57 -6.158 -7.212 -2.170 1.00 0.00 C ATOM 854 OG SER A 57 -7.113 -8.134 -1.673 1.00 0.00 O ATOM 0 H SER A 57 -5.624 -4.949 -0.599 1.00 0.00 H new ATOM 0 HA SER A 57 -4.883 -7.811 -0.548 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.658 -6.289 -2.463 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.688 -7.618 -3.066 1.00 0.00 H new ATOM 0 HG SER A 57 -7.649 -7.705 -0.974 1.00 0.00 H new ATOM 860 N VAL A 58 -2.741 -7.250 -1.627 1.00 0.00 N ATOM 861 CA VAL A 58 -1.449 -6.941 -2.228 1.00 0.00 C ATOM 862 C VAL A 58 -1.334 -7.545 -3.624 1.00 0.00 C ATOM 863 O VAL A 58 -1.082 -8.741 -3.776 1.00 0.00 O ATOM 864 CB VAL A 58 -0.287 -7.460 -1.360 1.00 0.00 C ATOM 865 CG1 VAL A 58 1.051 -7.071 -1.970 1.00 0.00 C ATOM 866 CG2 VAL A 58 -0.408 -6.931 0.061 1.00 0.00 C ATOM 0 H VAL A 58 -2.754 -8.104 -1.070 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.384 -5.855 -2.298 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.340 -8.548 -1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.860 -7.446 -1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.135 -7.502 -2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.118 -5.985 -2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.421 -7.307 0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.381 -5.841 0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.351 -7.265 0.495 1.00 0.00 H new ATOM 876 N LEU A 59 -1.520 -6.710 -4.640 1.00 0.00 N ATOM 877 CA LEU A 59 -1.437 -7.160 -6.025 1.00 0.00 C ATOM 878 C LEU A 59 -0.033 -7.660 -6.352 1.00 0.00 C ATOM 879 O LEU A 59 0.952 -7.189 -5.785 1.00 0.00 O ATOM 880 CB LEU A 59 -1.820 -6.024 -6.975 1.00 0.00 C ATOM 881 CG LEU A 59 -3.145 -5.321 -6.680 1.00 0.00 C ATOM 882 CD1 LEU A 59 -3.497 -4.353 -7.799 1.00 0.00 C ATOM 883 CD2 LEU A 59 -4.258 -6.340 -6.485 1.00 0.00 C ATOM 0 H LEU A 59 -1.729 -5.718 -4.531 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.136 -7.986 -6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.025 -5.279 -6.958 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.861 -6.423 -7.989 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.034 -4.752 -5.757 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.443 -3.862 -7.571 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.712 -3.603 -7.891 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.589 -4.900 -8.738 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.194 -5.821 -6.276 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.368 -6.936 -7.391 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.011 -6.993 -5.648 1.00 0.00 H new ATOM 895 N ASN A 60 0.050 -8.615 -7.272 1.00 0.00 N ATOM 896 CA ASN A 60 1.334 -9.177 -7.676 1.00 0.00 C ATOM 897 C ASN A 60 2.395 -8.086 -7.787 1.00 0.00 C ATOM 898 O ASN A 60 3.455 -8.172 -7.168 1.00 0.00 O ATOM 899 CB ASN A 60 1.196 -9.908 -9.013 1.00 0.00 C ATOM 900 CG ASN A 60 2.526 -10.069 -9.724 1.00 0.00 C ATOM 901 OD1 ASN A 60 3.556 -10.301 -9.091 1.00 0.00 O ATOM 902 ND2 ASN A 60 2.509 -9.947 -11.046 1.00 0.00 N ATOM 0 H ASN A 60 -0.756 -9.016 -7.752 1.00 0.00 H new ATOM 0 HA ASN A 60 1.648 -9.888 -6.912 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.757 -10.891 -8.843 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.508 -9.358 -9.655 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.373 -10.046 -11.578 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.632 -9.754 -11.529 1.00 0.00 H new ATOM 909 N ASP A 61 2.101 -7.062 -8.580 1.00 0.00 N ATOM 910 CA ASP A 61 3.029 -5.953 -8.771 1.00 0.00 C ATOM 911 C ASP A 61 3.496 -5.398 -7.429 1.00 0.00 C ATOM 912 O ASP A 61 4.670 -5.072 -7.256 1.00 0.00 O ATOM 913 CB ASP A 61 2.369 -4.845 -9.594 1.00 0.00 C ATOM 914 CG ASP A 61 1.633 -5.383 -10.805 1.00 0.00 C ATOM 915 OD1 ASP A 61 0.456 -5.775 -10.659 1.00 0.00 O ATOM 916 OD2 ASP A 61 2.233 -5.411 -11.900 1.00 0.00 O ATOM 0 H ASP A 61 1.228 -6.976 -9.101 1.00 0.00 H new ATOM 0 HA ASP A 61 3.899 -6.327 -9.311 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.671 -4.295 -8.963 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.130 -4.136 -9.920 1.00 0.00 H new ATOM 921 N GLY A 62 2.568 -5.291 -6.483 1.00 0.00 N ATOM 922 CA GLY A 62 2.904 -4.773 -5.170 1.00 0.00 C ATOM 923 C GLY A 62 1.951 -3.687 -4.713 1.00 0.00 C ATOM 924 O GLY A 62 2.062 -3.180 -3.596 1.00 0.00 O ATOM 0 H GLY A 62 1.590 -5.554 -6.603 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.893 -5.589 -4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.919 -4.377 -5.188 1.00 0.00 H new ATOM 928 N THR A 63 1.010 -3.324 -5.580 1.00 0.00 N ATOM 929 CA THR A 63 0.035 -2.289 -5.262 1.00 0.00 C ATOM 930 C THR A 63 -0.952 -2.769 -4.204 1.00 0.00 C ATOM 931 O THR A 63 -1.406 -3.914 -4.239 1.00 0.00 O ATOM 932 CB THR A 63 -0.745 -1.848 -6.514 1.00 0.00 C ATOM 933 OG1 THR A 63 0.148 -1.259 -7.466 1.00 0.00 O ATOM 934 CG2 THR A 63 -1.835 -0.851 -6.150 1.00 0.00 C ATOM 0 H THR A 63 0.903 -3.732 -6.509 1.00 0.00 H new ATOM 0 HA THR A 63 0.594 -1.438 -4.873 1.00 0.00 H new ATOM 0 HB THR A 63 -1.213 -2.730 -6.952 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.068 -1.324 -7.135 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.372 -0.554 -7.051 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.530 -1.312 -5.448 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.385 0.028 -5.690 1.00 0.00 H new ATOM 942 N LEU A 64 -1.281 -1.889 -3.266 1.00 0.00 N ATOM 943 CA LEU A 64 -2.217 -2.224 -2.198 1.00 0.00 C ATOM 944 C LEU A 64 -3.594 -1.627 -2.473 1.00 0.00 C ATOM 945 O LEU A 64 -3.765 -0.409 -2.470 1.00 0.00 O ATOM 946 CB LEU A 64 -1.689 -1.718 -0.854 1.00 0.00 C ATOM 947 CG LEU A 64 -2.143 -2.498 0.381 1.00 0.00 C ATOM 948 CD1 LEU A 64 -1.505 -3.878 0.406 1.00 0.00 C ATOM 949 CD2 LEU A 64 -1.805 -1.729 1.651 1.00 0.00 C ATOM 0 H LEU A 64 -0.914 -0.938 -3.223 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.313 -3.309 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.600 -1.730 -0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.993 -0.678 -0.735 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.225 -2.622 0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.840 -4.418 1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.797 -4.430 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.420 -3.777 0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.135 -2.298 2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.728 -1.574 1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.310 -0.763 1.637 1.00 0.00 H new ATOM 961 N ASN A 65 -4.573 -2.495 -2.708 1.00 0.00 N ATOM 962 CA ASN A 65 -5.935 -2.054 -2.983 1.00 0.00 C ATOM 963 C ASN A 65 -6.804 -2.158 -1.733 1.00 0.00 C ATOM 964 O ASN A 65 -6.516 -2.941 -0.828 1.00 0.00 O ATOM 965 CB ASN A 65 -6.545 -2.887 -4.112 1.00 0.00 C ATOM 966 CG ASN A 65 -7.951 -2.442 -4.464 1.00 0.00 C ATOM 967 OD1 ASN A 65 -8.863 -2.520 -3.641 1.00 0.00 O ATOM 968 ND2 ASN A 65 -8.134 -1.974 -5.693 1.00 0.00 N ATOM 0 H ASN A 65 -4.448 -3.507 -2.713 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.896 -1.009 -3.291 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.912 -2.814 -4.996 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.562 -3.936 -3.817 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.059 -1.661 -5.987 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.349 -1.927 -6.343 1.00 0.00 H new ATOM 975 N PHE A 66 -7.868 -1.364 -1.691 1.00 0.00 N ATOM 976 CA PHE A 66 -8.779 -1.366 -0.552 1.00 0.00 C ATOM 977 C PHE A 66 -10.232 -1.333 -1.018 1.00 0.00 C ATOM 978 O PHE A 66 -10.718 -0.308 -1.497 1.00 0.00 O ATOM 979 CB PHE A 66 -8.496 -0.168 0.357 1.00 0.00 C ATOM 980 CG PHE A 66 -7.114 -0.178 0.947 1.00 0.00 C ATOM 981 CD1 PHE A 66 -5.998 -0.097 0.131 1.00 0.00 C ATOM 982 CD2 PHE A 66 -6.933 -0.267 2.318 1.00 0.00 C ATOM 983 CE1 PHE A 66 -4.725 -0.105 0.670 1.00 0.00 C ATOM 984 CE2 PHE A 66 -5.663 -0.275 2.863 1.00 0.00 C ATOM 985 CZ PHE A 66 -4.558 -0.195 2.038 1.00 0.00 C ATOM 0 H PHE A 66 -8.121 -0.711 -2.432 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.616 -2.286 0.010 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.633 0.751 -0.213 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.228 -0.154 1.165 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.124 -0.027 -0.939 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.794 -0.331 2.967 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.863 -0.041 0.023 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.535 -0.344 3.933 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.565 -0.203 2.462 1.00 0.00 H new ATOM 995 N SER A 67 -10.919 -2.461 -0.874 1.00 0.00 N ATOM 996 CA SER A 67 -12.315 -2.564 -1.284 1.00 0.00 C ATOM 997 C SER A 67 -13.108 -1.345 -0.820 1.00 0.00 C ATOM 998 O SER A 67 -13.782 -0.690 -1.615 1.00 0.00 O ATOM 999 CB SER A 67 -12.942 -3.840 -0.718 1.00 0.00 C ATOM 1000 OG SER A 67 -14.078 -4.226 -1.472 1.00 0.00 O ATOM 0 H SER A 67 -10.532 -3.317 -0.476 1.00 0.00 H new ATOM 0 HA SER A 67 -12.347 -2.604 -2.373 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.207 -4.644 -0.724 1.00 0.00 H new ATOM 0 HB3 SER A 67 -13.229 -3.678 0.321 1.00 0.00 H new ATOM 0 HG SER A 67 -14.460 -5.045 -1.092 1.00 0.00 H new ATOM 1006 N HIS A 68 -13.022 -1.048 0.473 1.00 0.00 N ATOM 1007 CA HIS A 68 -13.731 0.092 1.044 1.00 0.00 C ATOM 1008 C HIS A 68 -13.015 0.609 2.288 1.00 0.00 C ATOM 1009 O HIS A 68 -13.066 -0.013 3.350 1.00 0.00 O ATOM 1010 CB HIS A 68 -15.168 -0.297 1.392 1.00 0.00 C ATOM 1011 CG HIS A 68 -15.268 -1.256 2.539 1.00 0.00 C ATOM 1012 ND1 HIS A 68 -15.640 -1.062 3.825 1.00 0.00 N flip ATOM 1013 CD2 HIS A 68 -14.963 -2.596 2.427 1.00 0.00 C flip ATOM 1014 CE1 HIS A 68 -15.555 -2.276 4.461 1.00 0.00 C flip ATOM 1015 NE2 HIS A 68 -15.145 -3.185 3.596 1.00 0.00 N flip ATOM 0 H HIS A 68 -12.469 -1.580 1.145 1.00 0.00 H new ATOM 0 HA HIS A 68 -13.749 0.888 0.300 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -15.732 0.604 1.633 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.638 -0.742 0.515 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.628 -3.087 1.525 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.786 -2.458 5.500 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -14.994 -4.174 3.796 1.00 0.00 H new ATOM 1024 N VAL A 69 -12.347 1.750 2.150 1.00 0.00 N ATOM 1025 CA VAL A 69 -11.621 2.350 3.262 1.00 0.00 C ATOM 1026 C VAL A 69 -12.576 2.802 4.362 1.00 0.00 C ATOM 1027 O VAL A 69 -13.762 3.022 4.116 1.00 0.00 O ATOM 1028 CB VAL A 69 -10.781 3.556 2.799 1.00 0.00 C ATOM 1029 CG1 VAL A 69 -9.607 3.094 1.950 1.00 0.00 C ATOM 1030 CG2 VAL A 69 -11.647 4.545 2.034 1.00 0.00 C ATOM 0 H VAL A 69 -12.294 2.277 1.278 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.955 1.582 3.656 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.384 4.061 3.680 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.025 3.959 1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.975 2.427 2.536 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.979 2.564 1.073 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -11.038 5.391 1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.074 4.054 1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.451 4.900 2.679 1.00 0.00 H new ATOM 1040 N LEU A 70 -12.050 2.939 5.574 1.00 0.00 N ATOM 1041 CA LEU A 70 -12.856 3.366 6.713 1.00 0.00 C ATOM 1042 C LEU A 70 -12.168 4.495 7.473 1.00 0.00 C ATOM 1043 O LEU A 70 -10.944 4.628 7.437 1.00 0.00 O ATOM 1044 CB LEU A 70 -13.113 2.186 7.652 1.00 0.00 C ATOM 1045 CG LEU A 70 -13.260 0.817 6.986 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -12.796 -0.286 7.924 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -14.702 0.585 6.558 1.00 0.00 C ATOM 0 H LEU A 70 -11.070 2.761 5.794 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.809 3.735 6.335 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.293 2.133 8.369 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.020 2.391 8.220 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.630 0.797 6.097 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.908 -1.253 7.433 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.748 -0.129 8.181 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.398 -0.269 8.832 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -14.788 -0.394 6.086 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.352 0.625 7.432 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -15.000 1.357 5.849 1.00 0.00 H new ATOM 1059 N LEU A 71 -12.963 5.306 8.164 1.00 0.00 N ATOM 1060 CA LEU A 71 -12.431 6.424 8.936 1.00 0.00 C ATOM 1061 C LEU A 71 -11.335 5.955 9.888 1.00 0.00 C ATOM 1062 O LEU A 71 -10.521 6.753 10.354 1.00 0.00 O ATOM 1063 CB LEU A 71 -13.552 7.103 9.725 1.00 0.00 C ATOM 1064 CG LEU A 71 -14.671 7.732 8.894 1.00 0.00 C ATOM 1065 CD1 LEU A 71 -15.569 8.591 9.772 1.00 0.00 C ATOM 1066 CD2 LEU A 71 -14.091 8.557 7.754 1.00 0.00 C ATOM 0 H LEU A 71 -13.978 5.210 8.205 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.999 7.142 8.239 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.995 6.367 10.396 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.111 7.879 10.350 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.273 6.931 8.466 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -16.360 9.031 9.164 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -16.013 7.973 10.553 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.979 9.385 10.229 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.902 8.997 7.174 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.465 9.351 8.161 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.490 7.915 7.109 1.00 0.00 H new ATOM 1078 N SER A 72 -11.319 4.657 10.170 1.00 0.00 N ATOM 1079 CA SER A 72 -10.324 4.082 11.068 1.00 0.00 C ATOM 1080 C SER A 72 -9.063 3.694 10.303 1.00 0.00 C ATOM 1081 O SER A 72 -7.971 3.641 10.870 1.00 0.00 O ATOM 1082 CB SER A 72 -10.898 2.857 11.783 1.00 0.00 C ATOM 1083 OG SER A 72 -11.351 1.889 10.852 1.00 0.00 O ATOM 0 H SER A 72 -11.984 3.983 9.790 1.00 0.00 H new ATOM 0 HA SER A 72 -10.061 4.836 11.810 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.136 2.418 12.427 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.723 3.161 12.427 1.00 0.00 H new ATOM 0 HG SER A 72 -11.712 1.115 11.334 1.00 0.00 H new ATOM 1089 N ASP A 73 -9.221 3.422 9.013 1.00 0.00 N ATOM 1090 CA ASP A 73 -8.096 3.039 8.168 1.00 0.00 C ATOM 1091 C ASP A 73 -7.148 4.216 7.960 1.00 0.00 C ATOM 1092 O ASP A 73 -5.996 4.037 7.561 1.00 0.00 O ATOM 1093 CB ASP A 73 -8.596 2.525 6.817 1.00 0.00 C ATOM 1094 CG ASP A 73 -9.217 1.146 6.916 1.00 0.00 C ATOM 1095 OD1 ASP A 73 -9.638 0.763 8.028 1.00 0.00 O ATOM 1096 OD2 ASP A 73 -9.283 0.450 5.882 1.00 0.00 O ATOM 0 H ASP A 73 -10.118 3.460 8.529 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.551 2.241 8.671 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.331 3.223 6.415 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.765 2.496 6.112 1.00 0.00 H new ATOM 1101 N THR A 74 -7.640 5.421 8.231 1.00 0.00 N ATOM 1102 CA THR A 74 -6.838 6.627 8.071 1.00 0.00 C ATOM 1103 C THR A 74 -5.544 6.537 8.871 1.00 0.00 C ATOM 1104 O THR A 74 -5.566 6.359 10.088 1.00 0.00 O ATOM 1105 CB THR A 74 -7.616 7.881 8.513 1.00 0.00 C ATOM 1106 OG1 THR A 74 -8.783 8.046 7.700 1.00 0.00 O ATOM 1107 CG2 THR A 74 -6.742 9.123 8.413 1.00 0.00 C ATOM 0 H THR A 74 -8.590 5.587 8.562 1.00 0.00 H new ATOM 0 HA THR A 74 -6.601 6.711 7.010 1.00 0.00 H new ATOM 0 HB THR A 74 -7.915 7.749 9.553 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.273 8.844 7.989 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.313 9.996 8.730 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.869 9.007 9.056 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.417 9.257 7.381 1.00 0.00 H new ATOM 1115 N GLY A 75 -4.415 6.663 8.179 1.00 0.00 N ATOM 1116 CA GLY A 75 -3.126 6.594 8.843 1.00 0.00 C ATOM 1117 C GLY A 75 -1.970 6.582 7.863 1.00 0.00 C ATOM 1118 O GLY A 75 -2.096 7.061 6.736 1.00 0.00 O ATOM 0 H GLY A 75 -4.370 6.812 7.171 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.020 7.446 9.514 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.086 5.696 9.459 1.00 0.00 H new ATOM 1122 N VAL A 76 -0.837 6.035 8.293 1.00 0.00 N ATOM 1123 CA VAL A 76 0.347 5.964 7.446 1.00 0.00 C ATOM 1124 C VAL A 76 0.645 4.525 7.038 1.00 0.00 C ATOM 1125 O VAL A 76 0.631 3.617 7.869 1.00 0.00 O ATOM 1126 CB VAL A 76 1.582 6.549 8.157 1.00 0.00 C ATOM 1127 CG1 VAL A 76 2.851 6.207 7.392 1.00 0.00 C ATOM 1128 CG2 VAL A 76 1.438 8.055 8.321 1.00 0.00 C ATOM 0 H VAL A 76 -0.715 5.635 9.223 1.00 0.00 H new ATOM 0 HA VAL A 76 0.135 6.556 6.556 1.00 0.00 H new ATOM 0 HB VAL A 76 1.654 6.103 9.149 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.713 6.629 7.910 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.958 5.124 7.331 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.793 6.623 6.386 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.319 8.452 8.825 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.341 8.520 7.340 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.551 8.273 8.916 1.00 0.00 H new ATOM 1138 N TYR A 77 0.914 4.325 5.752 1.00 0.00 N ATOM 1139 CA TYR A 77 1.213 2.997 5.232 1.00 0.00 C ATOM 1140 C TYR A 77 2.653 2.918 4.733 1.00 0.00 C ATOM 1141 O TYR A 77 3.134 3.817 4.043 1.00 0.00 O ATOM 1142 CB TYR A 77 0.249 2.641 4.099 1.00 0.00 C ATOM 1143 CG TYR A 77 -1.188 2.501 4.548 1.00 0.00 C ATOM 1144 CD1 TYR A 77 -1.969 3.621 4.803 1.00 0.00 C ATOM 1145 CD2 TYR A 77 -1.765 1.248 4.716 1.00 0.00 C ATOM 1146 CE1 TYR A 77 -3.282 3.498 5.214 1.00 0.00 C ATOM 1147 CE2 TYR A 77 -3.078 1.116 5.125 1.00 0.00 C ATOM 1148 CZ TYR A 77 -3.832 2.244 5.373 1.00 0.00 C ATOM 1149 OH TYR A 77 -5.140 2.117 5.781 1.00 0.00 O ATOM 0 H TYR A 77 0.931 5.066 5.051 1.00 0.00 H new ATOM 0 HA TYR A 77 1.089 2.281 6.044 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.307 3.410 3.329 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.570 1.706 3.640 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.542 4.605 4.678 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.177 0.363 4.524 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.874 4.380 5.410 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.512 0.135 5.250 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.357 2.834 6.412 1.00 0.00 H new ATOM 1159 N THR A 78 3.336 1.834 5.088 1.00 0.00 N ATOM 1160 CA THR A 78 4.721 1.636 4.679 1.00 0.00 C ATOM 1161 C THR A 78 4.874 0.363 3.855 1.00 0.00 C ATOM 1162 O THR A 78 4.390 -0.701 4.243 1.00 0.00 O ATOM 1163 CB THR A 78 5.662 1.563 5.896 1.00 0.00 C ATOM 1164 OG1 THR A 78 5.451 2.695 6.747 1.00 0.00 O ATOM 1165 CG2 THR A 78 7.117 1.519 5.453 1.00 0.00 C ATOM 0 H THR A 78 2.952 1.080 5.658 1.00 0.00 H new ATOM 0 HA THR A 78 4.996 2.496 4.068 1.00 0.00 H new ATOM 0 HB THR A 78 5.438 0.649 6.446 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.052 2.640 7.519 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.763 1.468 6.330 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.281 0.640 4.829 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.351 2.418 4.882 1.00 0.00 H new ATOM 1173 N CYS A 79 5.550 0.477 2.717 1.00 0.00 N ATOM 1174 CA CYS A 79 5.767 -0.666 1.838 1.00 0.00 C ATOM 1175 C CYS A 79 7.207 -1.158 1.932 1.00 0.00 C ATOM 1176 O CYS A 79 8.140 -0.456 1.544 1.00 0.00 O ATOM 1177 CB CYS A 79 5.435 -0.294 0.392 1.00 0.00 C ATOM 1178 SG CYS A 79 5.896 -1.556 -0.819 1.00 0.00 S ATOM 0 H CYS A 79 5.957 1.350 2.382 1.00 0.00 H new ATOM 0 HA CYS A 79 5.106 -1.471 2.159 1.00 0.00 H new ATOM 0 HB2 CYS A 79 4.365 -0.104 0.314 1.00 0.00 H new ATOM 0 HB3 CYS A 79 5.943 0.637 0.142 1.00 0.00 H new ATOM 0 HG CYS A 79 5.735 -1.084 -2.020 1.00 0.00 H new ATOM 1184 N MET A 80 7.381 -2.370 2.451 1.00 0.00 N ATOM 1185 CA MET A 80 8.708 -2.956 2.596 1.00 0.00 C ATOM 1186 C MET A 80 9.076 -3.780 1.367 1.00 0.00 C ATOM 1187 O MET A 80 8.217 -4.411 0.751 1.00 0.00 O ATOM 1188 CB MET A 80 8.768 -3.831 3.849 1.00 0.00 C ATOM 1189 CG MET A 80 8.037 -3.237 5.041 1.00 0.00 C ATOM 1190 SD MET A 80 8.478 -4.037 6.596 1.00 0.00 S ATOM 1191 CE MET A 80 6.887 -4.681 7.109 1.00 0.00 C ATOM 0 H MET A 80 6.619 -2.965 2.778 1.00 0.00 H new ATOM 0 HA MET A 80 9.428 -2.144 2.695 1.00 0.00 H new ATOM 0 HB2 MET A 80 8.341 -4.807 3.621 1.00 0.00 H new ATOM 0 HB3 MET A 80 9.812 -3.995 4.118 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.263 -2.173 5.108 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.962 -3.325 4.884 1.00 0.00 H new ATOM 0 HE1 MET A 80 6.606 -4.237 8.064 1.00 0.00 H new ATOM 0 HE2 MET A 80 6.136 -4.434 6.359 1.00 0.00 H new ATOM 0 HE3 MET A 80 6.950 -5.764 7.217 1.00 0.00 H new ATOM 1201 N VAL A 81 10.358 -3.771 1.014 1.00 0.00 N ATOM 1202 CA VAL A 81 10.839 -4.519 -0.141 1.00 0.00 C ATOM 1203 C VAL A 81 12.162 -5.211 0.164 1.00 0.00 C ATOM 1204 O VAL A 81 13.167 -4.557 0.448 1.00 0.00 O ATOM 1205 CB VAL A 81 11.021 -3.603 -1.366 1.00 0.00 C ATOM 1206 CG1 VAL A 81 11.319 -4.427 -2.609 1.00 0.00 C ATOM 1207 CG2 VAL A 81 9.786 -2.739 -1.573 1.00 0.00 C ATOM 0 H VAL A 81 11.082 -3.253 1.512 1.00 0.00 H new ATOM 0 HA VAL A 81 10.084 -5.271 -0.368 1.00 0.00 H new ATOM 0 HB VAL A 81 11.870 -2.945 -1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.444 -3.763 -3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.234 -4.998 -2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.492 -5.111 -2.799 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.932 -2.098 -2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.918 -3.378 -1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.622 -2.121 -0.690 1.00 0.00 H new ATOM 1217 N THR A 82 12.158 -6.539 0.104 1.00 0.00 N ATOM 1218 CA THR A 82 13.358 -7.320 0.375 1.00 0.00 C ATOM 1219 C THR A 82 13.700 -8.226 -0.802 1.00 0.00 C ATOM 1220 O THR A 82 12.919 -9.102 -1.172 1.00 0.00 O ATOM 1221 CB THR A 82 13.193 -8.182 1.641 1.00 0.00 C ATOM 1222 OG1 THR A 82 12.560 -7.419 2.674 1.00 0.00 O ATOM 1223 CG2 THR A 82 14.542 -8.687 2.131 1.00 0.00 C ATOM 0 H THR A 82 11.336 -7.096 -0.130 1.00 0.00 H new ATOM 0 HA THR A 82 14.170 -6.610 0.532 1.00 0.00 H new ATOM 0 HB THR A 82 12.570 -9.041 1.391 1.00 0.00 H new ATOM 0 HG1 THR A 82 12.457 -7.975 3.475 1.00 0.00 H new ATOM 0 HG21 THR A 82 14.400 -9.293 3.026 1.00 0.00 H new ATOM 0 HG22 THR A 82 15.009 -9.292 1.353 1.00 0.00 H new ATOM 0 HG23 THR A 82 15.185 -7.839 2.366 1.00 0.00 H new ATOM 1231 N ASN A 83 14.874 -8.011 -1.387 1.00 0.00 N ATOM 1232 CA ASN A 83 15.321 -8.809 -2.523 1.00 0.00 C ATOM 1233 C ASN A 83 16.740 -9.324 -2.301 1.00 0.00 C ATOM 1234 O ASN A 83 17.625 -8.577 -1.884 1.00 0.00 O ATOM 1235 CB ASN A 83 15.261 -7.983 -3.809 1.00 0.00 C ATOM 1236 CG ASN A 83 15.544 -8.815 -5.044 1.00 0.00 C ATOM 1237 OD1 ASN A 83 16.450 -9.649 -5.051 1.00 0.00 O ATOM 1238 ND2 ASN A 83 14.769 -8.591 -6.099 1.00 0.00 N ATOM 0 H ASN A 83 15.533 -7.290 -1.093 1.00 0.00 H new ATOM 0 HA ASN A 83 14.653 -9.665 -2.619 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.275 -7.527 -3.899 1.00 0.00 H new ATOM 0 HB3 ASN A 83 15.984 -7.169 -3.749 1.00 0.00 H new ATOM 0 HD21 ASN A 83 14.913 -9.120 -6.959 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.030 -7.890 -6.049 1.00 0.00 H new ATOM 1245 N VAL A 84 16.949 -10.606 -2.585 1.00 0.00 N ATOM 1246 CA VAL A 84 18.260 -11.222 -2.419 1.00 0.00 C ATOM 1247 C VAL A 84 19.369 -10.288 -2.890 1.00 0.00 C ATOM 1248 O VAL A 84 20.498 -10.353 -2.405 1.00 0.00 O ATOM 1249 CB VAL A 84 18.359 -12.550 -3.192 1.00 0.00 C ATOM 1250 CG1 VAL A 84 18.026 -12.339 -4.661 1.00 0.00 C ATOM 1251 CG2 VAL A 84 19.745 -13.157 -3.033 1.00 0.00 C ATOM 0 H VAL A 84 16.227 -11.238 -2.931 1.00 0.00 H new ATOM 0 HA VAL A 84 18.384 -11.421 -1.354 1.00 0.00 H new ATOM 0 HB VAL A 84 17.632 -13.247 -2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.101 -13.288 -5.191 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.011 -11.952 -4.752 1.00 0.00 H new ATOM 0 HG13 VAL A 84 18.727 -11.625 -5.094 1.00 0.00 H new ATOM 0 HG21 VAL A 84 19.797 -14.095 -3.586 1.00 0.00 H new ATOM 0 HG22 VAL A 84 20.492 -12.465 -3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.940 -13.347 -1.978 1.00 0.00 H new ATOM 1261 N ALA A 85 19.039 -9.419 -3.840 1.00 0.00 N ATOM 1262 CA ALA A 85 20.007 -8.469 -4.377 1.00 0.00 C ATOM 1263 C ALA A 85 20.119 -7.237 -3.485 1.00 0.00 C ATOM 1264 O ALA A 85 21.213 -6.854 -3.074 1.00 0.00 O ATOM 1265 CB ALA A 85 19.621 -8.066 -5.792 1.00 0.00 C ATOM 0 H ALA A 85 18.109 -9.353 -4.254 1.00 0.00 H new ATOM 0 HA ALA A 85 20.982 -8.956 -4.403 1.00 0.00 H new ATOM 0 HB1 ALA A 85 20.352 -7.357 -6.181 1.00 0.00 H new ATOM 0 HB2 ALA A 85 19.599 -8.950 -6.429 1.00 0.00 H new ATOM 0 HB3 ALA A 85 18.635 -7.602 -5.782 1.00 0.00 H new ATOM 1271 N GLY A 86 18.978 -6.620 -3.190 1.00 0.00 N ATOM 1272 CA GLY A 86 18.971 -5.437 -2.350 1.00 0.00 C ATOM 1273 C GLY A 86 17.675 -5.281 -1.579 1.00 0.00 C ATOM 1274 O GLY A 86 16.821 -6.166 -1.603 1.00 0.00 O ATOM 0 H GLY A 86 18.059 -6.919 -3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.804 -5.488 -1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.130 -4.554 -2.969 1.00 0.00 H new ATOM 1278 N ASN A 87 17.529 -4.153 -0.892 1.00 0.00 N ATOM 1279 CA ASN A 87 16.328 -3.885 -0.109 1.00 0.00 C ATOM 1280 C ASN A 87 15.879 -2.437 -0.280 1.00 0.00 C ATOM 1281 O ASN A 87 16.660 -1.579 -0.692 1.00 0.00 O ATOM 1282 CB ASN A 87 16.583 -4.181 1.370 1.00 0.00 C ATOM 1283 CG ASN A 87 16.602 -5.668 1.668 1.00 0.00 C ATOM 1284 OD1 ASN A 87 16.429 -6.493 0.771 1.00 0.00 O ATOM 1285 ND2 ASN A 87 16.814 -6.015 2.932 1.00 0.00 N ATOM 0 H ASN A 87 18.227 -3.410 -0.861 1.00 0.00 H new ATOM 0 HA ASN A 87 15.534 -4.538 -0.472 1.00 0.00 H new ATOM 0 HB2 ASN A 87 17.536 -3.742 1.666 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.810 -3.703 1.972 1.00 0.00 H new ATOM 0 HD21 ASN A 87 16.839 -7.001 3.193 1.00 0.00 H new ATOM 0 HD22 ASN A 87 16.952 -5.296 3.642 1.00 0.00 H new ATOM 1292 N SER A 88 14.617 -2.173 0.041 1.00 0.00 N ATOM 1293 CA SER A 88 14.062 -0.829 -0.080 1.00 0.00 C ATOM 1294 C SER A 88 12.719 -0.730 0.637 1.00 0.00 C ATOM 1295 O SER A 88 12.125 -1.741 1.008 1.00 0.00 O ATOM 1296 CB SER A 88 13.896 -0.454 -1.553 1.00 0.00 C ATOM 1297 OG SER A 88 13.499 -1.575 -2.324 1.00 0.00 O ATOM 0 H SER A 88 13.959 -2.871 0.387 1.00 0.00 H new ATOM 0 HA SER A 88 14.757 -0.132 0.388 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.153 0.338 -1.648 1.00 0.00 H new ATOM 0 HB3 SER A 88 14.835 -0.058 -1.939 1.00 0.00 H new ATOM 0 HG SER A 88 14.249 -2.201 -2.401 1.00 0.00 H new ATOM 1303 N ASN A 89 12.247 0.498 0.828 1.00 0.00 N ATOM 1304 CA ASN A 89 10.974 0.731 1.500 1.00 0.00 C ATOM 1305 C ASN A 89 10.353 2.050 1.048 1.00 0.00 C ATOM 1306 O ASN A 89 11.034 2.907 0.486 1.00 0.00 O ATOM 1307 CB ASN A 89 11.170 0.741 3.018 1.00 0.00 C ATOM 1308 CG ASN A 89 12.027 1.902 3.483 1.00 0.00 C ATOM 1309 OD1 ASN A 89 12.921 2.354 2.766 1.00 0.00 O ATOM 1310 ND2 ASN A 89 11.759 2.390 4.688 1.00 0.00 N ATOM 0 H ASN A 89 12.727 1.346 0.527 1.00 0.00 H new ATOM 0 HA ASN A 89 10.296 -0.080 1.232 1.00 0.00 H new ATOM 0 HB2 ASN A 89 10.197 0.793 3.507 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.633 -0.196 3.328 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.303 3.171 5.055 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.009 1.984 5.247 1.00 0.00 H new ATOM 1317 N ALA A 90 9.057 2.204 1.298 1.00 0.00 N ATOM 1318 CA ALA A 90 8.345 3.418 0.920 1.00 0.00 C ATOM 1319 C ALA A 90 7.253 3.751 1.930 1.00 0.00 C ATOM 1320 O ALA A 90 6.817 2.890 2.694 1.00 0.00 O ATOM 1321 CB ALA A 90 7.752 3.269 -0.473 1.00 0.00 C ATOM 0 H ALA A 90 8.479 1.503 1.761 1.00 0.00 H new ATOM 0 HA ALA A 90 9.059 4.242 0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.223 4.183 -0.743 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.551 3.087 -1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.056 2.430 -0.484 1.00 0.00 H new ATOM 1327 N SER A 91 6.815 5.006 1.928 1.00 0.00 N ATOM 1328 CA SER A 91 5.776 5.455 2.848 1.00 0.00 C ATOM 1329 C SER A 91 4.718 6.275 2.115 1.00 0.00 C ATOM 1330 O SER A 91 4.999 6.898 1.092 1.00 0.00 O ATOM 1331 CB SER A 91 6.389 6.285 3.978 1.00 0.00 C ATOM 1332 OG SER A 91 7.397 7.150 3.485 1.00 0.00 O ATOM 0 H SER A 91 7.163 5.730 1.300 1.00 0.00 H new ATOM 0 HA SER A 91 5.297 4.573 3.274 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.610 6.870 4.467 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.811 5.622 4.733 1.00 0.00 H new ATOM 0 HG SER A 91 7.772 7.671 4.226 1.00 0.00 H new ATOM 1338 N ALA A 92 3.501 6.268 2.647 1.00 0.00 N ATOM 1339 CA ALA A 92 2.401 7.013 2.046 1.00 0.00 C ATOM 1340 C ALA A 92 1.213 7.101 2.998 1.00 0.00 C ATOM 1341 O ALA A 92 0.866 6.127 3.666 1.00 0.00 O ATOM 1342 CB ALA A 92 1.981 6.366 0.734 1.00 0.00 C ATOM 0 H ALA A 92 3.251 5.755 3.493 1.00 0.00 H new ATOM 0 HA ALA A 92 2.748 8.027 1.845 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.159 6.932 0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.825 6.360 0.045 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.657 5.342 0.921 1.00 0.00 H new ATOM 1348 N TYR A 93 0.594 8.275 3.056 1.00 0.00 N ATOM 1349 CA TYR A 93 -0.553 8.492 3.929 1.00 0.00 C ATOM 1350 C TYR A 93 -1.861 8.268 3.176 1.00 0.00 C ATOM 1351 O TYR A 93 -1.890 8.264 1.945 1.00 0.00 O ATOM 1352 CB TYR A 93 -0.521 9.908 4.508 1.00 0.00 C ATOM 1353 CG TYR A 93 -1.601 10.168 5.533 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -1.420 9.820 6.866 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -2.804 10.761 5.168 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -2.405 10.056 7.806 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -3.793 11.002 6.101 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.589 10.647 7.419 1.00 0.00 C ATOM 1359 OH TYR A 93 -4.573 10.884 8.351 1.00 0.00 O ATOM 0 H TYR A 93 0.868 9.091 2.509 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.496 7.772 4.745 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.453 10.082 4.966 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.623 10.626 3.695 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -0.494 9.357 7.173 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.968 11.038 4.137 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.248 9.779 8.838 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -4.721 11.466 5.801 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.230 11.509 7.981 1.00 0.00 H new ATOM 1369 N LEU A 94 -2.943 8.083 3.925 1.00 0.00 N ATOM 1370 CA LEU A 94 -4.256 7.860 3.330 1.00 0.00 C ATOM 1371 C LEU A 94 -5.348 8.541 4.149 1.00 0.00 C ATOM 1372 O LEU A 94 -5.664 8.112 5.258 1.00 0.00 O ATOM 1373 CB LEU A 94 -4.541 6.361 3.224 1.00 0.00 C ATOM 1374 CG LEU A 94 -5.978 5.974 2.872 1.00 0.00 C ATOM 1375 CD1 LEU A 94 -6.193 6.032 1.368 1.00 0.00 C ATOM 1376 CD2 LEU A 94 -6.304 4.587 3.406 1.00 0.00 C ATOM 0 H LEU A 94 -2.937 8.083 4.945 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.254 8.295 2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.877 5.938 2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.283 5.894 4.175 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.652 6.690 3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.221 5.753 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.002 7.044 1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.510 5.340 0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.331 4.329 3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.624 3.858 2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.191 4.579 4.490 1.00 0.00 H new ATOM 1388 N ASN A 95 -5.923 9.602 3.593 1.00 0.00 N ATOM 1389 CA ASN A 95 -6.982 10.341 4.271 1.00 0.00 C ATOM 1390 C ASN A 95 -8.355 9.791 3.897 1.00 0.00 C ATOM 1391 O ASN A 95 -8.682 9.659 2.718 1.00 0.00 O ATOM 1392 CB ASN A 95 -6.902 11.828 3.917 1.00 0.00 C ATOM 1393 CG ASN A 95 -8.034 12.629 4.529 1.00 0.00 C ATOM 1394 OD1 ASN A 95 -8.863 12.092 5.264 1.00 0.00 O ATOM 1395 ND2 ASN A 95 -8.074 13.922 4.227 1.00 0.00 N ATOM 0 H ASN A 95 -5.674 9.970 2.675 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.843 10.222 5.346 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.949 12.230 4.261 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.924 11.942 2.833 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.813 14.512 4.609 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.366 14.325 3.613 1.00 0.00 H new ATOM 1402 N VAL A 96 -9.155 9.473 4.910 1.00 0.00 N ATOM 1403 CA VAL A 96 -10.493 8.939 4.689 1.00 0.00 C ATOM 1404 C VAL A 96 -11.555 9.850 5.294 1.00 0.00 C ATOM 1405 O VAL A 96 -11.642 9.994 6.513 1.00 0.00 O ATOM 1406 CB VAL A 96 -10.641 7.528 5.288 1.00 0.00 C ATOM 1407 CG1 VAL A 96 -12.017 6.958 4.981 1.00 0.00 C ATOM 1408 CG2 VAL A 96 -9.546 6.610 4.764 1.00 0.00 C ATOM 0 H VAL A 96 -8.899 9.576 5.892 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.637 8.884 3.610 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.538 7.600 6.371 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.102 5.961 5.412 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.783 7.605 5.409 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.154 6.899 3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.665 5.617 5.197 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.616 6.543 3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.571 7.012 5.041 1.00 0.00 H new ATOM 1418 N SER A 97 -12.362 10.463 4.433 1.00 0.00 N ATOM 1419 CA SER A 97 -13.417 11.363 4.883 1.00 0.00 C ATOM 1420 C SER A 97 -14.789 10.713 4.728 1.00 0.00 C ATOM 1421 O SER A 97 -15.066 10.053 3.726 1.00 0.00 O ATOM 1422 CB SER A 97 -13.369 12.673 4.095 1.00 0.00 C ATOM 1423 OG SER A 97 -14.296 13.613 4.610 1.00 0.00 O ATOM 0 H SER A 97 -12.305 10.353 3.421 1.00 0.00 H new ATOM 0 HA SER A 97 -13.253 11.576 5.939 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.363 13.090 4.137 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.589 12.478 3.046 1.00 0.00 H new ATOM 0 HG SER A 97 -14.244 14.442 4.090 1.00 0.00 H new ATOM 1429 N SER A 98 -15.644 10.904 5.727 1.00 0.00 N ATOM 1430 CA SER A 98 -16.986 10.333 5.705 1.00 0.00 C ATOM 1431 C SER A 98 -17.766 10.827 4.491 1.00 0.00 C ATOM 1432 O SER A 98 -17.321 11.724 3.776 1.00 0.00 O ATOM 1433 CB SER A 98 -17.737 10.693 6.989 1.00 0.00 C ATOM 1434 OG SER A 98 -18.068 12.070 7.017 1.00 0.00 O ATOM 0 H SER A 98 -15.432 11.450 6.562 1.00 0.00 H new ATOM 0 HA SER A 98 -16.892 9.249 5.639 1.00 0.00 H new ATOM 0 HB2 SER A 98 -18.646 10.096 7.062 1.00 0.00 H new ATOM 0 HB3 SER A 98 -17.123 10.446 7.855 1.00 0.00 H new ATOM 0 HG SER A 98 -18.549 12.274 7.846 1.00 0.00 H new ATOM 1440 N GLY A 99 -18.934 10.234 4.264 1.00 0.00 N ATOM 1441 CA GLY A 99 -19.758 10.625 3.135 1.00 0.00 C ATOM 1442 C GLY A 99 -19.138 10.247 1.805 1.00 0.00 C ATOM 1443 O GLY A 99 -17.930 10.030 1.698 1.00 0.00 O ATOM 0 H GLY A 99 -19.324 9.490 4.842 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -20.737 10.153 3.223 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -19.920 11.703 3.163 1.00 0.00 H new ATOM 1447 N PRO A 100 -19.974 10.162 0.760 1.00 0.00 N ATOM 1448 CA PRO A 100 -19.523 9.806 -0.588 1.00 0.00 C ATOM 1449 C PRO A 100 -18.682 10.905 -1.227 1.00 0.00 C ATOM 1450 O PRO A 100 -17.641 10.634 -1.826 1.00 0.00 O ATOM 1451 CB PRO A 100 -20.831 9.616 -1.361 1.00 0.00 C ATOM 1452 CG PRO A 100 -21.826 10.453 -0.634 1.00 0.00 C ATOM 1453 CD PRO A 100 -21.425 10.407 0.815 1.00 0.00 C ATOM 0 HA PRO A 100 -18.882 8.924 -0.584 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -20.728 9.935 -2.398 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -21.132 8.569 -1.378 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -21.822 11.477 -1.008 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -22.836 10.067 -0.772 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -21.656 11.342 1.326 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -21.946 9.614 1.351 1.00 0.00 H new ATOM 1461 N SER A 101 -19.139 12.146 -1.095 1.00 0.00 N ATOM 1462 CA SER A 101 -18.429 13.287 -1.663 1.00 0.00 C ATOM 1463 C SER A 101 -17.678 14.054 -0.578 1.00 0.00 C ATOM 1464 O SER A 101 -18.078 14.056 0.586 1.00 0.00 O ATOM 1465 CB SER A 101 -19.408 14.219 -2.378 1.00 0.00 C ATOM 1466 OG SER A 101 -18.733 15.062 -3.295 1.00 0.00 O ATOM 0 H SER A 101 -19.997 12.387 -0.600 1.00 0.00 H new ATOM 0 HA SER A 101 -17.704 12.910 -2.385 1.00 0.00 H new ATOM 0 HB2 SER A 101 -20.157 13.629 -2.906 1.00 0.00 H new ATOM 0 HB3 SER A 101 -19.939 14.826 -1.644 1.00 0.00 H new ATOM 0 HG SER A 101 -19.381 15.647 -3.740 1.00 0.00 H new ATOM 1472 N SER A 102 -16.587 14.703 -0.970 1.00 0.00 N ATOM 1473 CA SER A 102 -15.776 15.471 -0.032 1.00 0.00 C ATOM 1474 C SER A 102 -15.963 16.969 -0.252 1.00 0.00 C ATOM 1475 O SER A 102 -15.511 17.522 -1.254 1.00 0.00 O ATOM 1476 CB SER A 102 -14.299 15.103 -0.180 1.00 0.00 C ATOM 1477 OG SER A 102 -13.842 15.350 -1.499 1.00 0.00 O ATOM 0 H SER A 102 -16.244 14.713 -1.930 1.00 0.00 H new ATOM 0 HA SER A 102 -16.104 15.226 0.978 1.00 0.00 H new ATOM 0 HB2 SER A 102 -13.704 15.680 0.528 1.00 0.00 H new ATOM 0 HB3 SER A 102 -14.157 14.051 0.067 1.00 0.00 H new ATOM 0 HG SER A 102 -14.354 16.089 -1.890 1.00 0.00 H new ATOM 1483 N GLY A 103 -16.635 17.621 0.693 1.00 0.00 N ATOM 1484 CA GLY A 103 -16.871 19.049 0.584 1.00 0.00 C ATOM 1485 C GLY A 103 -18.311 19.374 0.243 1.00 0.00 C ATOM 1486 O GLY A 103 -18.580 20.274 -0.552 1.00 0.00 O ATOM 0 H GLY A 103 -17.020 17.186 1.531 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -16.606 19.531 1.525 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -16.217 19.465 -0.182 1.00 0.00 H new TER 1490 GLY A 103