USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 788 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 19 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot -98:sc= 0.476 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0547 USER MOD Single : A 17 HIS :FLIP no HE2:sc= -2.38 F(o=-4.6!,f=-2.4) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= -0.496 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -1.76 F(o=-2.5!,f=-1.8) USER MOD Single : A 37 HIS :FLIP no HE2:sc= -0.39 F(o=-1.1,f=-0.39) USER MOD Single : A 41 SER OG : rot -134:sc= 0.171 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.265) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -111:sc= 0.155 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0373) USER MOD Single : A 64 GLN : amide:sc= 0.14 K(o=0.14,f=-2.8!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 58:sc= 0.147 USER MOD Single : A 103 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.36) USER MOD Single : A 105 SER OG : rot 21:sc= 0.0884 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -18.810 21.498 13.474 1.00 0.00 N ATOM 2 CA GLY A -2 -19.145 20.687 12.270 1.00 0.00 C ATOM 3 C GLY A -2 -18.248 21.000 11.086 1.00 0.00 C ATOM 4 O GLY A -2 -18.636 21.753 10.191 1.00 0.00 O ATOM 0 H1 GLY A -2 -19.452 21.245 14.252 1.00 0.00 H new ATOM 0 H2 GLY A -2 -17.828 21.307 13.759 1.00 0.00 H new ATOM 0 H3 GLY A -2 -18.916 22.509 13.252 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -19.061 19.628 12.515 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -20.183 20.868 11.992 1.00 0.00 H new ATOM 10 N SER A -1 -17.046 20.420 11.082 1.00 0.00 N ATOM 11 CA SER A -1 -16.085 20.638 10.000 1.00 0.00 C ATOM 12 C SER A -1 -16.172 19.520 8.960 1.00 0.00 C ATOM 13 O SER A -1 -16.338 18.350 9.308 1.00 0.00 O ATOM 14 CB SER A -1 -14.662 20.722 10.562 1.00 0.00 C ATOM 15 OG SER A -1 -13.745 21.152 9.570 1.00 0.00 O ATOM 0 H SER A -1 -16.715 19.795 11.817 1.00 0.00 H new ATOM 0 HA SER A -1 -16.331 21.581 9.513 1.00 0.00 H new ATOM 0 HB2 SER A -1 -14.641 21.413 11.405 1.00 0.00 H new ATOM 0 HB3 SER A -1 -14.360 19.746 10.942 1.00 0.00 H new ATOM 0 HG SER A -1 -12.845 21.199 9.955 1.00 0.00 H new ATOM 21 N HIS A 0 -16.058 19.892 7.682 1.00 0.00 N ATOM 22 CA HIS A 0 -16.122 18.926 6.585 1.00 0.00 C ATOM 23 C HIS A 0 -14.848 18.974 5.742 1.00 0.00 C ATOM 24 O HIS A 0 -14.331 20.052 5.446 1.00 0.00 O ATOM 25 CB HIS A 0 -17.344 19.203 5.701 1.00 0.00 C ATOM 26 CG HIS A 0 -18.652 18.933 6.380 1.00 0.00 C ATOM 27 ND1 HIS A 0 -19.241 17.686 6.416 1.00 0.00 N ATOM 28 CD2 HIS A 0 -19.488 19.760 7.055 1.00 0.00 C ATOM 29 CE1 HIS A 0 -20.381 17.756 7.081 1.00 0.00 C ATOM 30 NE2 HIS A 0 -20.553 19.004 7.479 1.00 0.00 N ATOM 0 H HIS A 0 -15.921 20.857 7.383 1.00 0.00 H new ATOM 0 HA HIS A 0 -16.214 17.930 7.017 1.00 0.00 H new ATOM 0 HB2 HIS A 0 -17.320 20.244 5.379 1.00 0.00 H new ATOM 0 HB3 HIS A 0 -17.278 18.590 4.802 1.00 0.00 H new ATOM 0 HD2 HIS A 0 -19.343 20.816 7.227 1.00 0.00 H new ATOM 0 HE1 HIS A 0 -21.056 16.934 7.267 1.00 0.00 H new ATOM 0 HE2 HIS A 0 -21.349 19.350 8.015 1.00 0.00 H new ATOM 39 N MET A 1 -14.347 17.796 5.358 1.00 0.00 N ATOM 40 CA MET A 1 -13.133 17.696 4.548 1.00 0.00 C ATOM 41 C MET A 1 -13.467 17.285 3.114 1.00 0.00 C ATOM 42 O MET A 1 -14.366 16.473 2.887 1.00 0.00 O ATOM 43 CB MET A 1 -12.159 16.686 5.168 1.00 0.00 C ATOM 44 CG MET A 1 -11.573 17.138 6.498 1.00 0.00 C ATOM 45 SD MET A 1 -10.425 15.935 7.200 1.00 0.00 S ATOM 46 CE MET A 1 -8.928 16.323 6.296 1.00 0.00 C ATOM 0 H MET A 1 -14.766 16.897 5.597 1.00 0.00 H new ATOM 0 HA MET A 1 -12.660 18.678 4.525 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.676 15.738 5.313 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.345 16.502 4.467 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.057 18.088 6.359 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.383 17.316 7.205 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.125 15.661 6.620 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.102 16.187 5.229 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.645 17.358 6.488 1.00 0.00 H new ATOM 56 N SER A 2 -12.737 17.853 2.150 1.00 0.00 N ATOM 57 CA SER A 2 -12.953 17.548 0.736 1.00 0.00 C ATOM 58 C SER A 2 -11.622 17.320 0.018 1.00 0.00 C ATOM 59 O SER A 2 -10.831 18.250 -0.151 1.00 0.00 O ATOM 60 CB SER A 2 -13.725 18.686 0.059 1.00 0.00 C ATOM 61 OG SER A 2 -15.006 18.851 0.641 1.00 0.00 O ATOM 0 H SER A 2 -11.991 18.527 2.325 1.00 0.00 H new ATOM 0 HA SER A 2 -13.540 16.632 0.672 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.161 19.614 0.146 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.830 18.475 -1.005 1.00 0.00 H new ATOM 0 HG SER A 2 -15.477 19.584 0.192 1.00 0.00 H new ATOM 67 N ALA A 3 -11.383 16.076 -0.402 1.00 0.00 N ATOM 68 CA ALA A 3 -10.149 15.718 -1.102 1.00 0.00 C ATOM 69 C ALA A 3 -10.418 14.677 -2.193 1.00 0.00 C ATOM 70 O ALA A 3 -9.722 13.662 -2.283 1.00 0.00 O ATOM 71 CB ALA A 3 -9.111 15.205 -0.111 1.00 0.00 C ATOM 0 H ALA A 3 -12.030 15.299 -0.269 1.00 0.00 H new ATOM 0 HA ALA A 3 -9.757 16.613 -1.585 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -8.198 14.942 -0.644 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.892 15.982 0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -9.500 14.324 0.399 1.00 0.00 H new ATOM 77 N GLY A 4 -11.433 14.938 -3.020 1.00 0.00 N ATOM 78 CA GLY A 4 -11.782 14.021 -4.095 1.00 0.00 C ATOM 79 C GLY A 4 -11.053 14.334 -5.390 1.00 0.00 C ATOM 80 O GLY A 4 -10.340 13.485 -5.926 1.00 0.00 O ATOM 0 H GLY A 4 -12.020 15.770 -2.963 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.548 13.002 -3.788 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.857 14.063 -4.269 1.00 0.00 H new ATOM 84 N GLU A 5 -11.235 15.557 -5.893 1.00 0.00 N ATOM 85 CA GLU A 5 -10.594 15.988 -7.132 1.00 0.00 C ATOM 86 C GLU A 5 -10.037 17.409 -6.993 1.00 0.00 C ATOM 87 O GLU A 5 -10.632 18.369 -7.486 1.00 0.00 O ATOM 88 CB GLU A 5 -11.592 15.921 -8.297 1.00 0.00 C ATOM 89 CG GLU A 5 -11.886 14.504 -8.772 1.00 0.00 C ATOM 90 CD GLU A 5 -12.838 14.468 -9.952 1.00 0.00 C ATOM 91 OE1 GLU A 5 -14.064 14.402 -9.725 1.00 0.00 O ATOM 92 OE2 GLU A 5 -12.357 14.506 -11.105 1.00 0.00 O ATOM 0 H GLU A 5 -11.824 16.267 -5.457 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.763 15.314 -7.339 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.526 16.393 -7.991 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -11.200 16.501 -9.133 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -10.951 14.017 -9.050 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.312 13.930 -7.949 1.00 0.00 H new ATOM 99 N PRO A 6 -8.884 17.561 -6.306 1.00 0.00 N ATOM 100 CA PRO A 6 -8.249 18.870 -6.091 1.00 0.00 C ATOM 101 C PRO A 6 -7.454 19.358 -7.311 1.00 0.00 C ATOM 102 O PRO A 6 -6.236 19.537 -7.238 1.00 0.00 O ATOM 103 CB PRO A 6 -7.323 18.583 -4.908 1.00 0.00 C ATOM 104 CG PRO A 6 -6.896 17.177 -5.123 1.00 0.00 C ATOM 105 CD PRO A 6 -8.111 16.473 -5.663 1.00 0.00 C ATOM 0 HA PRO A 6 -8.973 19.666 -5.916 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.470 19.262 -4.894 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.841 18.702 -3.957 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -6.064 17.121 -5.825 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -6.558 16.721 -4.192 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.840 15.696 -6.378 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -8.681 15.990 -4.869 1.00 0.00 H new ATOM 113 N HIS A 7 -8.157 19.578 -8.428 1.00 0.00 N ATOM 114 CA HIS A 7 -7.535 20.051 -9.671 1.00 0.00 C ATOM 115 C HIS A 7 -6.475 19.068 -10.183 1.00 0.00 C ATOM 116 O HIS A 7 -5.374 18.987 -9.635 1.00 0.00 O ATOM 117 CB HIS A 7 -6.914 21.442 -9.465 1.00 0.00 C ATOM 118 CG HIS A 7 -6.722 22.211 -10.737 1.00 0.00 C ATOM 119 ND1 HIS A 7 -7.702 23.007 -11.293 1.00 0.00 N ATOM 120 CD2 HIS A 7 -5.653 22.305 -11.564 1.00 0.00 C ATOM 121 CE1 HIS A 7 -7.245 23.555 -12.405 1.00 0.00 C ATOM 122 NE2 HIS A 7 -6.004 23.146 -12.591 1.00 0.00 N ATOM 0 H HIS A 7 -9.165 19.435 -8.497 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.319 20.119 -10.426 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -7.551 22.019 -8.795 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -5.950 21.330 -8.970 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -4.701 21.810 -11.439 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -7.794 24.224 -13.052 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -5.403 23.412 -13.371 1.00 0.00 H new ATOM 131 N GLU A 8 -6.816 18.330 -11.242 1.00 0.00 N ATOM 132 CA GLU A 8 -5.899 17.355 -11.839 1.00 0.00 C ATOM 133 C GLU A 8 -5.434 17.824 -13.219 1.00 0.00 C ATOM 134 O GLU A 8 -5.993 18.766 -13.785 1.00 0.00 O ATOM 135 CB GLU A 8 -6.577 15.983 -11.960 1.00 0.00 C ATOM 136 CG GLU A 8 -6.926 15.326 -10.628 1.00 0.00 C ATOM 137 CD GLU A 8 -8.111 15.973 -9.937 1.00 0.00 C ATOM 138 OE1 GLU A 8 -7.906 16.618 -8.889 1.00 0.00 O ATOM 139 OE2 GLU A 8 -9.242 15.834 -10.447 1.00 0.00 O ATOM 0 H GLU A 8 -7.723 18.389 -11.705 1.00 0.00 H new ATOM 0 HA GLU A 8 -5.030 17.266 -11.186 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.490 16.094 -12.545 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.920 15.316 -12.518 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -7.143 14.271 -10.796 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.059 15.372 -9.969 1.00 0.00 H new ATOM 146 N THR A 9 -4.408 17.159 -13.759 1.00 0.00 N ATOM 147 CA THR A 9 -3.867 17.503 -15.075 1.00 0.00 C ATOM 148 C THR A 9 -3.036 16.348 -15.647 1.00 0.00 C ATOM 149 O THR A 9 -3.286 15.891 -16.763 1.00 0.00 O ATOM 150 CB THR A 9 -3.028 18.792 -15.003 1.00 0.00 C ATOM 151 OG1 THR A 9 -2.175 18.906 -16.130 1.00 0.00 O ATOM 152 CG2 THR A 9 -2.160 18.895 -13.762 1.00 0.00 C ATOM 0 H THR A 9 -3.936 16.378 -13.303 1.00 0.00 H new ATOM 0 HA THR A 9 -4.707 17.680 -15.746 1.00 0.00 H new ATOM 0 HB THR A 9 -3.762 19.597 -14.975 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.278 18.588 -15.895 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.601 19.830 -13.786 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.791 18.872 -12.874 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.464 18.057 -13.734 1.00 0.00 H new ATOM 160 N ASP A 10 -2.056 15.876 -14.870 1.00 0.00 N ATOM 161 CA ASP A 10 -1.195 14.767 -15.290 1.00 0.00 C ATOM 162 C ASP A 10 -1.066 13.748 -14.163 1.00 0.00 C ATOM 163 O ASP A 10 -0.867 14.120 -13.005 1.00 0.00 O ATOM 164 CB ASP A 10 0.200 15.271 -15.693 1.00 0.00 C ATOM 165 CG ASP A 10 0.158 16.597 -16.433 1.00 0.00 C ATOM 166 OD1 ASP A 10 0.431 17.638 -15.800 1.00 0.00 O ATOM 167 OD2 ASP A 10 -0.149 16.591 -17.643 1.00 0.00 O ATOM 0 H ASP A 10 -1.839 16.246 -13.945 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.655 14.294 -16.158 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.814 15.379 -14.799 1.00 0.00 H new ATOM 0 HB3 ASP A 10 0.683 14.524 -16.323 1.00 0.00 H new ATOM 172 N CYS A 11 -1.184 12.462 -14.500 1.00 0.00 N ATOM 173 CA CYS A 11 -1.083 11.404 -13.498 1.00 0.00 C ATOM 174 C CYS A 11 -0.233 10.232 -13.991 1.00 0.00 C ATOM 175 O CYS A 11 0.670 9.783 -13.285 1.00 0.00 O ATOM 176 CB CYS A 11 -2.479 10.910 -13.102 1.00 0.00 C ATOM 177 SG CYS A 11 -2.499 9.738 -11.703 1.00 0.00 S ATOM 0 H CYS A 11 -1.348 12.132 -15.451 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.589 11.828 -12.624 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.096 11.771 -12.847 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.940 10.432 -13.966 1.00 0.00 H new ATOM 182 N SER A 12 -0.533 9.732 -15.196 1.00 0.00 N ATOM 183 CA SER A 12 0.204 8.601 -15.771 1.00 0.00 C ATOM 184 C SER A 12 1.709 8.741 -15.565 1.00 0.00 C ATOM 185 O SER A 12 2.369 7.801 -15.129 1.00 0.00 O ATOM 186 CB SER A 12 -0.081 8.471 -17.264 1.00 0.00 C ATOM 187 OG SER A 12 -0.559 9.689 -17.808 1.00 0.00 O ATOM 0 H SER A 12 -1.280 10.092 -15.790 1.00 0.00 H new ATOM 0 HA SER A 12 -0.138 7.706 -15.251 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.828 8.171 -17.785 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.817 7.684 -17.428 1.00 0.00 H new ATOM 0 HG SER A 12 -0.731 9.574 -18.766 1.00 0.00 H new ATOM 193 N GLU A 13 2.239 9.918 -15.888 1.00 0.00 N ATOM 194 CA GLU A 13 3.667 10.193 -15.745 1.00 0.00 C ATOM 195 C GLU A 13 4.138 9.884 -14.331 1.00 0.00 C ATOM 196 O GLU A 13 5.150 9.214 -14.142 1.00 0.00 O ATOM 197 CB GLU A 13 3.970 11.649 -16.098 1.00 0.00 C ATOM 198 CG GLU A 13 5.343 11.849 -16.712 1.00 0.00 C ATOM 199 CD GLU A 13 5.587 13.279 -17.154 1.00 0.00 C ATOM 200 OE1 GLU A 13 6.061 14.086 -16.326 1.00 0.00 O ATOM 201 OE2 GLU A 13 5.302 13.594 -18.329 1.00 0.00 O ATOM 0 H GLU A 13 1.697 10.701 -16.253 1.00 0.00 H new ATOM 0 HA GLU A 13 4.208 9.547 -16.436 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.213 12.011 -16.794 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.891 12.257 -15.197 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.105 11.563 -15.987 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.453 11.185 -17.569 1.00 0.00 H new ATOM 208 N ILE A 14 3.372 10.338 -13.342 1.00 0.00 N ATOM 209 CA ILE A 14 3.695 10.064 -11.944 1.00 0.00 C ATOM 210 C ILE A 14 3.752 8.576 -11.751 1.00 0.00 C ATOM 211 O ILE A 14 4.681 8.070 -11.122 1.00 0.00 O ATOM 212 CB ILE A 14 2.675 10.688 -10.961 1.00 0.00 C ATOM 213 CG1 ILE A 14 2.856 12.210 -10.902 1.00 0.00 C ATOM 214 CG2 ILE A 14 2.802 10.067 -9.567 1.00 0.00 C ATOM 215 CD1 ILE A 14 3.976 12.664 -9.987 1.00 0.00 C ATOM 0 H ILE A 14 2.528 10.894 -13.481 1.00 0.00 H new ATOM 0 HA ILE A 14 4.659 10.522 -11.723 1.00 0.00 H new ATOM 0 HB ILE A 14 1.671 10.474 -11.327 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.050 12.582 -11.908 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.923 12.664 -10.569 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.074 10.524 -8.897 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.616 8.995 -9.628 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.807 10.239 -9.182 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.039 13.752 -10.001 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.775 12.325 -8.971 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.920 12.242 -10.331 1.00 0.00 H new ATOM 227 N LEU A 15 2.804 7.853 -12.349 1.00 0.00 N ATOM 228 CA LEU A 15 2.840 6.414 -12.270 1.00 0.00 C ATOM 229 C LEU A 15 4.125 5.979 -12.950 1.00 0.00 C ATOM 230 O LEU A 15 4.929 5.263 -12.358 1.00 0.00 O ATOM 231 CB LEU A 15 1.599 5.790 -12.927 1.00 0.00 C ATOM 232 CG LEU A 15 0.270 6.506 -12.630 1.00 0.00 C ATOM 233 CD1 LEU A 15 -0.855 5.920 -13.470 1.00 0.00 C ATOM 234 CD2 LEU A 15 -0.071 6.433 -11.143 1.00 0.00 C ATOM 0 H LEU A 15 2.023 8.240 -12.879 1.00 0.00 H new ATOM 0 HA LEU A 15 2.824 6.074 -11.234 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.750 5.771 -14.006 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.516 4.754 -12.599 1.00 0.00 H new ATOM 0 HG LEU A 15 0.386 7.556 -12.897 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.786 6.440 -13.245 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.619 6.039 -14.528 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.967 4.860 -13.240 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.015 6.947 -10.961 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.162 5.390 -10.841 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.720 6.911 -10.564 1.00 0.00 H new ATOM 246 N ASP A 16 4.314 6.415 -14.210 1.00 0.00 N ATOM 247 CA ASP A 16 5.517 6.075 -14.969 1.00 0.00 C ATOM 248 C ASP A 16 6.752 6.048 -14.072 1.00 0.00 C ATOM 249 O ASP A 16 7.604 5.175 -14.243 1.00 0.00 O ATOM 250 CB ASP A 16 5.716 7.057 -16.129 1.00 0.00 C ATOM 251 CG ASP A 16 6.746 6.574 -17.135 1.00 0.00 C ATOM 252 OD1 ASP A 16 6.365 5.836 -18.068 1.00 0.00 O ATOM 253 OD2 ASP A 16 7.933 6.934 -16.988 1.00 0.00 O ATOM 0 H ASP A 16 3.649 7.000 -14.716 1.00 0.00 H new ATOM 0 HA ASP A 16 5.381 5.074 -15.378 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.764 7.212 -16.636 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.027 8.024 -15.732 1.00 0.00 H new ATOM 258 N HIS A 17 6.840 6.941 -13.066 1.00 0.00 N ATOM 259 CA HIS A 17 7.964 6.885 -12.145 1.00 0.00 C ATOM 260 C HIS A 17 7.715 5.702 -11.225 1.00 0.00 C ATOM 261 O HIS A 17 8.527 4.786 -11.138 1.00 0.00 O ATOM 262 CB HIS A 17 8.122 8.157 -11.281 1.00 0.00 C ATOM 263 CG HIS A 17 7.648 9.442 -11.892 1.00 0.00 C ATOM 264 ND1 HIS A 17 7.568 9.859 -13.177 1.00 0.00 N flip ATOM 265 CD2 HIS A 17 7.219 10.500 -11.121 1.00 0.00 C flip ATOM 266 CE1 HIS A 17 7.100 11.152 -13.155 1.00 0.00 C flip ATOM 267 NE2 HIS A 17 6.898 11.512 -11.900 1.00 0.00 N flip ATOM 0 H HIS A 17 6.164 7.683 -12.883 1.00 0.00 H new ATOM 0 HA HIS A 17 8.880 6.794 -12.728 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.583 8.004 -10.346 1.00 0.00 H new ATOM 0 HB3 HIS A 17 9.176 8.268 -11.026 1.00 0.00 H new ATOM 0 HD1 HIS A 17 7.809 9.316 -14.006 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.156 10.500 -10.043 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.926 11.772 -14.022 1.00 0.00 H new ATOM 276 N LEU A 18 6.557 5.733 -10.549 1.00 0.00 N ATOM 277 CA LEU A 18 6.156 4.658 -9.627 1.00 0.00 C ATOM 278 C LEU A 18 6.527 3.260 -10.152 1.00 0.00 C ATOM 279 O LEU A 18 6.685 2.332 -9.367 1.00 0.00 O ATOM 280 CB LEU A 18 4.650 4.722 -9.333 1.00 0.00 C ATOM 281 CG LEU A 18 4.254 5.603 -8.138 1.00 0.00 C ATOM 282 CD1 LEU A 18 4.331 7.076 -8.514 1.00 0.00 C ATOM 283 CD2 LEU A 18 2.854 5.249 -7.642 1.00 0.00 C ATOM 0 H LEU A 18 5.880 6.492 -10.623 1.00 0.00 H new ATOM 0 HA LEU A 18 6.712 4.820 -8.703 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.138 5.091 -10.222 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.288 3.710 -9.154 1.00 0.00 H new ATOM 0 HG LEU A 18 4.959 5.415 -7.328 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.047 7.686 -7.656 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.350 7.322 -8.813 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.651 7.276 -9.342 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.596 5.886 -6.796 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.134 5.403 -8.445 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.832 4.205 -7.330 1.00 0.00 H new ATOM 295 N TYR A 19 6.674 3.107 -11.469 1.00 0.00 N ATOM 296 CA TYR A 19 7.056 1.818 -12.042 1.00 0.00 C ATOM 297 C TYR A 19 8.572 1.696 -12.153 1.00 0.00 C ATOM 298 O TYR A 19 9.212 0.950 -11.412 1.00 0.00 O ATOM 299 CB TYR A 19 6.428 1.630 -13.428 1.00 0.00 C ATOM 300 CG TYR A 19 6.187 0.180 -13.801 1.00 0.00 C ATOM 301 CD1 TYR A 19 4.916 -0.391 -13.748 1.00 0.00 C ATOM 302 CD2 TYR A 19 7.247 -0.622 -14.210 1.00 0.00 C ATOM 303 CE1 TYR A 19 4.718 -1.716 -14.093 1.00 0.00 C ATOM 304 CE2 TYR A 19 7.056 -1.943 -14.555 1.00 0.00 C ATOM 305 CZ TYR A 19 5.789 -2.487 -14.495 1.00 0.00 C ATOM 306 OH TYR A 19 5.594 -3.805 -14.838 1.00 0.00 O ATOM 0 H TYR A 19 6.536 3.852 -12.152 1.00 0.00 H new ATOM 0 HA TYR A 19 6.686 1.041 -11.373 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.480 2.166 -13.462 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.078 2.084 -14.176 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.075 0.209 -13.433 1.00 0.00 H new ATOM 0 HD2 TYR A 19 8.240 -0.201 -14.258 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.728 -2.145 -14.048 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.893 -2.549 -14.870 1.00 0.00 H new ATOM 0 HH TYR A 19 6.450 -4.205 -15.099 1.00 0.00 H new ATOM 316 N GLU A 20 9.117 2.422 -13.122 1.00 0.00 N ATOM 317 CA GLU A 20 10.533 2.423 -13.419 1.00 0.00 C ATOM 318 C GLU A 20 11.403 2.967 -12.272 1.00 0.00 C ATOM 319 O GLU A 20 12.559 2.571 -12.119 1.00 0.00 O ATOM 320 CB GLU A 20 10.733 3.269 -14.669 1.00 0.00 C ATOM 321 CG GLU A 20 12.103 3.133 -15.245 1.00 0.00 C ATOM 322 CD GLU A 20 12.399 4.145 -16.336 1.00 0.00 C ATOM 323 OE1 GLU A 20 12.894 5.245 -16.009 1.00 0.00 O ATOM 324 OE2 GLU A 20 12.138 3.838 -17.518 1.00 0.00 O ATOM 0 H GLU A 20 8.573 3.035 -13.730 1.00 0.00 H new ATOM 0 HA GLU A 20 10.853 1.392 -13.566 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.998 2.980 -15.420 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.547 4.316 -14.428 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.838 3.244 -14.447 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.221 2.128 -15.650 1.00 0.00 H new ATOM 331 N PHE A 21 10.844 3.874 -11.484 1.00 0.00 N ATOM 332 CA PHE A 21 11.552 4.488 -10.358 1.00 0.00 C ATOM 333 C PHE A 21 11.910 3.439 -9.313 1.00 0.00 C ATOM 334 O PHE A 21 13.019 3.413 -8.784 1.00 0.00 O ATOM 335 CB PHE A 21 10.660 5.566 -9.718 1.00 0.00 C ATOM 336 CG PHE A 21 11.402 6.633 -8.971 1.00 0.00 C ATOM 337 CD1 PHE A 21 12.174 6.320 -7.865 1.00 0.00 C ATOM 338 CD2 PHE A 21 11.329 7.950 -9.384 1.00 0.00 C ATOM 339 CE1 PHE A 21 12.864 7.310 -7.189 1.00 0.00 C ATOM 340 CE2 PHE A 21 12.011 8.941 -8.712 1.00 0.00 C ATOM 341 CZ PHE A 21 12.783 8.621 -7.615 1.00 0.00 C ATOM 0 H PHE A 21 9.888 4.208 -11.603 1.00 0.00 H new ATOM 0 HA PHE A 21 12.472 4.940 -10.728 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.065 6.037 -10.500 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.962 5.082 -9.035 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.238 5.296 -7.528 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.729 8.206 -10.245 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.466 7.058 -6.328 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.941 9.966 -9.044 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.323 9.395 -7.090 1.00 0.00 H new ATOM 351 N LEU A 22 10.928 2.608 -9.006 1.00 0.00 N ATOM 352 CA LEU A 22 11.128 1.577 -7.983 1.00 0.00 C ATOM 353 C LEU A 22 11.676 0.271 -8.551 1.00 0.00 C ATOM 354 O LEU A 22 12.528 -0.349 -7.911 1.00 0.00 O ATOM 355 CB LEU A 22 9.905 1.315 -7.073 1.00 0.00 C ATOM 356 CG LEU A 22 8.529 1.780 -7.565 1.00 0.00 C ATOM 357 CD1 LEU A 22 7.438 1.381 -6.570 1.00 0.00 C ATOM 358 CD2 LEU A 22 8.525 3.290 -7.778 1.00 0.00 C ATOM 0 H LEU A 22 10.003 2.619 -9.435 1.00 0.00 H new ATOM 0 HA LEU A 22 11.891 2.010 -7.336 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.849 0.242 -6.890 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.095 1.793 -6.112 1.00 0.00 H new ATOM 0 HG LEU A 22 8.321 1.292 -8.517 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.469 1.720 -6.937 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.425 0.297 -6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.641 1.842 -5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.542 3.606 -8.127 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.754 3.791 -6.837 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.276 3.554 -8.522 1.00 0.00 H new ATOM 370 N ASP A 23 11.193 -0.194 -9.704 1.00 0.00 N ATOM 371 CA ASP A 23 11.666 -1.472 -10.253 1.00 0.00 C ATOM 372 C ASP A 23 12.942 -1.359 -11.100 1.00 0.00 C ATOM 373 O ASP A 23 13.489 -2.383 -11.509 1.00 0.00 O ATOM 374 CB ASP A 23 10.561 -2.091 -11.122 1.00 0.00 C ATOM 375 CG ASP A 23 10.235 -3.521 -10.728 1.00 0.00 C ATOM 376 OD1 ASP A 23 9.052 -3.803 -10.445 1.00 0.00 O ATOM 377 OD2 ASP A 23 11.162 -4.358 -10.707 1.00 0.00 O ATOM 0 H ASP A 23 10.489 0.281 -10.268 1.00 0.00 H new ATOM 0 HA ASP A 23 11.909 -2.097 -9.394 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.660 -1.483 -11.044 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.871 -2.068 -12.167 1.00 0.00 H new ATOM 382 N LYS A 24 13.393 -0.142 -11.411 1.00 0.00 N ATOM 383 CA LYS A 24 14.572 0.016 -12.264 1.00 0.00 C ATOM 384 C LYS A 24 15.618 0.986 -11.710 1.00 0.00 C ATOM 385 O LYS A 24 16.415 1.547 -12.466 1.00 0.00 O ATOM 386 CB LYS A 24 14.124 0.472 -13.648 1.00 0.00 C ATOM 387 CG LYS A 24 13.982 -0.659 -14.661 1.00 0.00 C ATOM 388 CD LYS A 24 12.563 -1.223 -14.687 1.00 0.00 C ATOM 389 CE LYS A 24 12.526 -2.621 -15.288 1.00 0.00 C ATOM 390 NZ LYS A 24 11.139 -3.161 -15.361 1.00 0.00 N ATOM 0 H LYS A 24 12.971 0.731 -11.093 1.00 0.00 H new ATOM 0 HA LYS A 24 15.062 -0.957 -12.308 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.167 0.986 -13.557 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.841 1.199 -14.029 1.00 0.00 H new ATOM 0 HG2 LYS A 24 14.246 -0.293 -15.653 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.685 -1.455 -14.417 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.164 -1.252 -13.673 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.918 -0.561 -15.265 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.959 -2.597 -16.288 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.144 -3.290 -14.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.159 -4.114 -15.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.734 -3.208 -14.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.555 -2.538 -15.954 1.00 0.00 H new ATOM 404 N GLU A 25 15.629 1.162 -10.404 1.00 0.00 N ATOM 405 CA GLU A 25 16.600 2.051 -9.759 1.00 0.00 C ATOM 406 C GLU A 25 17.077 1.499 -8.406 1.00 0.00 C ATOM 407 O GLU A 25 18.037 0.729 -8.357 1.00 0.00 O ATOM 408 CB GLU A 25 16.023 3.466 -9.600 1.00 0.00 C ATOM 409 CG GLU A 25 15.961 4.254 -10.901 1.00 0.00 C ATOM 410 CD GLU A 25 15.767 5.742 -10.678 1.00 0.00 C ATOM 411 OE1 GLU A 25 16.778 6.450 -10.486 1.00 0.00 O ATOM 412 OE2 GLU A 25 14.604 6.198 -10.695 1.00 0.00 O ATOM 0 H GLU A 25 14.981 0.706 -9.761 1.00 0.00 H new ATOM 0 HA GLU A 25 17.472 2.104 -10.411 1.00 0.00 H new ATOM 0 HB2 GLU A 25 15.019 3.394 -9.182 1.00 0.00 H new ATOM 0 HB3 GLU A 25 16.629 4.017 -8.881 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.881 4.092 -11.463 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.143 3.873 -11.513 1.00 0.00 H new ATOM 419 N MET A 26 16.415 1.901 -7.314 1.00 0.00 N ATOM 420 CA MET A 26 16.783 1.453 -5.968 1.00 0.00 C ATOM 421 C MET A 26 15.705 1.864 -4.958 1.00 0.00 C ATOM 422 O MET A 26 15.759 2.954 -4.390 1.00 0.00 O ATOM 423 CB MET A 26 18.147 2.035 -5.555 1.00 0.00 C ATOM 424 CG MET A 26 19.259 0.999 -5.478 1.00 0.00 C ATOM 425 SD MET A 26 20.826 1.695 -4.917 1.00 0.00 S ATOM 426 CE MET A 26 21.869 0.238 -4.929 1.00 0.00 C ATOM 0 H MET A 26 15.619 2.538 -7.338 1.00 0.00 H new ATOM 0 HA MET A 26 16.861 0.366 -5.978 1.00 0.00 H new ATOM 0 HB2 MET A 26 18.432 2.808 -6.268 1.00 0.00 H new ATOM 0 HB3 MET A 26 18.046 2.519 -4.583 1.00 0.00 H new ATOM 0 HG2 MET A 26 18.958 0.200 -4.800 1.00 0.00 H new ATOM 0 HG3 MET A 26 19.398 0.548 -6.461 1.00 0.00 H new ATOM 0 HE1 MET A 26 22.874 0.507 -4.605 1.00 0.00 H new ATOM 0 HE2 MET A 26 21.457 -0.510 -4.251 1.00 0.00 H new ATOM 0 HE3 MET A 26 21.911 -0.171 -5.938 1.00 0.00 H new ATOM 436 N PRO A 27 14.697 0.992 -4.747 1.00 0.00 N ATOM 437 CA PRO A 27 13.573 1.243 -3.830 1.00 0.00 C ATOM 438 C PRO A 27 13.952 1.962 -2.527 1.00 0.00 C ATOM 439 O PRO A 27 13.264 2.897 -2.114 1.00 0.00 O ATOM 440 CB PRO A 27 13.074 -0.170 -3.541 1.00 0.00 C ATOM 441 CG PRO A 27 13.309 -0.907 -4.814 1.00 0.00 C ATOM 442 CD PRO A 27 14.561 -0.319 -5.417 1.00 0.00 C ATOM 0 HA PRO A 27 12.840 1.916 -4.275 1.00 0.00 H new ATOM 0 HB2 PRO A 27 13.618 -0.623 -2.712 1.00 0.00 H new ATOM 0 HB3 PRO A 27 12.019 -0.172 -3.268 1.00 0.00 H new ATOM 0 HG2 PRO A 27 13.430 -1.974 -4.629 1.00 0.00 H new ATOM 0 HG3 PRO A 27 12.462 -0.795 -5.490 1.00 0.00 H new ATOM 0 HD2 PRO A 27 15.428 -0.953 -5.234 1.00 0.00 H new ATOM 0 HD3 PRO A 27 14.470 -0.208 -6.497 1.00 0.00 H new ATOM 450 N ASP A 28 15.032 1.524 -1.876 1.00 0.00 N ATOM 451 CA ASP A 28 15.469 2.135 -0.614 1.00 0.00 C ATOM 452 C ASP A 28 15.906 3.587 -0.809 1.00 0.00 C ATOM 453 O ASP A 28 15.616 4.441 0.031 1.00 0.00 O ATOM 454 CB ASP A 28 16.606 1.317 0.013 1.00 0.00 C ATOM 455 CG ASP A 28 16.771 1.585 1.498 1.00 0.00 C ATOM 456 OD1 ASP A 28 16.080 0.922 2.301 1.00 0.00 O ATOM 457 OD2 ASP A 28 17.591 2.455 1.857 1.00 0.00 O ATOM 0 H ASP A 28 15.618 0.754 -2.197 1.00 0.00 H new ATOM 0 HA ASP A 28 14.615 2.134 0.063 1.00 0.00 H new ATOM 0 HB2 ASP A 28 16.412 0.256 -0.141 1.00 0.00 H new ATOM 0 HB3 ASP A 28 17.540 1.548 -0.500 1.00 0.00 H new ATOM 462 N SER A 29 16.588 3.869 -1.919 1.00 0.00 N ATOM 463 CA SER A 29 17.039 5.228 -2.213 1.00 0.00 C ATOM 464 C SER A 29 15.996 5.975 -3.052 1.00 0.00 C ATOM 465 O SER A 29 16.346 6.795 -3.905 1.00 0.00 O ATOM 466 CB SER A 29 18.390 5.197 -2.941 1.00 0.00 C ATOM 467 OG SER A 29 18.233 4.829 -4.301 1.00 0.00 O ATOM 0 H SER A 29 16.839 3.178 -2.626 1.00 0.00 H new ATOM 0 HA SER A 29 17.164 5.760 -1.270 1.00 0.00 H new ATOM 0 HB2 SER A 29 18.861 6.178 -2.879 1.00 0.00 H new ATOM 0 HB3 SER A 29 19.057 4.491 -2.445 1.00 0.00 H new ATOM 0 HG SER A 29 19.109 4.819 -4.740 1.00 0.00 H new ATOM 473 N ASP A 30 14.713 5.686 -2.801 1.00 0.00 N ATOM 474 CA ASP A 30 13.623 6.323 -3.529 1.00 0.00 C ATOM 475 C ASP A 30 12.676 7.056 -2.579 1.00 0.00 C ATOM 476 O ASP A 30 11.991 7.985 -2.996 1.00 0.00 O ATOM 477 CB ASP A 30 12.840 5.282 -4.339 1.00 0.00 C ATOM 478 CG ASP A 30 13.685 4.602 -5.402 1.00 0.00 C ATOM 479 OD1 ASP A 30 13.256 3.547 -5.914 1.00 0.00 O ATOM 480 OD2 ASP A 30 14.774 5.124 -5.727 1.00 0.00 O ATOM 0 H ASP A 30 14.410 5.013 -2.097 1.00 0.00 H new ATOM 0 HA ASP A 30 14.061 7.053 -4.209 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.441 4.527 -3.661 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.987 5.766 -4.815 1.00 0.00 H new ATOM 485 N ALA A 31 12.633 6.639 -1.305 1.00 0.00 N ATOM 486 CA ALA A 31 11.752 7.275 -0.319 1.00 0.00 C ATOM 487 C ALA A 31 11.988 8.786 -0.210 1.00 0.00 C ATOM 488 O ALA A 31 11.032 9.561 -0.145 1.00 0.00 O ATOM 489 CB ALA A 31 11.925 6.617 1.038 1.00 0.00 C ATOM 0 H ALA A 31 13.194 5.870 -0.937 1.00 0.00 H new ATOM 0 HA ALA A 31 10.728 7.135 -0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.266 7.097 1.762 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.673 5.559 0.964 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.960 6.722 1.364 1.00 0.00 H new ATOM 495 N VAL A 32 13.256 9.203 -0.189 1.00 0.00 N ATOM 496 CA VAL A 32 13.593 10.626 -0.087 1.00 0.00 C ATOM 497 C VAL A 32 13.323 11.352 -1.400 1.00 0.00 C ATOM 498 O VAL A 32 13.015 12.546 -1.402 1.00 0.00 O ATOM 499 CB VAL A 32 15.061 10.847 0.337 1.00 0.00 C ATOM 500 CG1 VAL A 32 15.322 12.317 0.656 1.00 0.00 C ATOM 501 CG2 VAL A 32 15.425 9.966 1.528 1.00 0.00 C ATOM 0 H VAL A 32 14.062 8.580 -0.241 1.00 0.00 H new ATOM 0 HA VAL A 32 12.950 11.041 0.689 1.00 0.00 H new ATOM 0 HB VAL A 32 15.696 10.563 -0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.363 12.446 0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 32 15.118 12.923 -0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 32 14.671 12.634 1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.464 10.141 1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.778 10.208 2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 32 15.293 8.918 1.259 1.00 0.00 H new ATOM 511 N LYS A 33 13.400 10.623 -2.510 1.00 0.00 N ATOM 512 CA LYS A 33 13.123 11.194 -3.822 1.00 0.00 C ATOM 513 C LYS A 33 11.635 11.041 -4.137 1.00 0.00 C ATOM 514 O LYS A 33 11.111 11.683 -5.045 1.00 0.00 O ATOM 515 CB LYS A 33 13.972 10.505 -4.898 1.00 0.00 C ATOM 516 CG LYS A 33 15.464 10.470 -4.582 1.00 0.00 C ATOM 517 CD LYS A 33 16.129 11.824 -4.810 1.00 0.00 C ATOM 518 CE LYS A 33 16.525 12.022 -6.269 1.00 0.00 C ATOM 519 NZ LYS A 33 17.799 11.324 -6.603 1.00 0.00 N ATOM 0 H LYS A 33 13.652 9.635 -2.526 1.00 0.00 H new ATOM 0 HA LYS A 33 13.382 12.253 -3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.615 9.484 -5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 33 13.824 11.019 -5.848 1.00 0.00 H new ATOM 0 HG2 LYS A 33 15.608 10.166 -3.545 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.949 9.719 -5.205 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.448 12.619 -4.507 1.00 0.00 H new ATOM 0 HD3 LYS A 33 17.014 11.905 -4.179 1.00 0.00 H new ATOM 0 HE2 LYS A 33 15.729 11.651 -6.914 1.00 0.00 H new ATOM 0 HE3 LYS A 33 16.631 13.087 -6.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 18.031 11.485 -7.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 18.565 11.696 -6.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 17.691 10.304 -6.432 1.00 0.00 H new ATOM 533 N PHE A 34 10.964 10.184 -3.358 1.00 0.00 N ATOM 534 CA PHE A 34 9.539 9.920 -3.512 1.00 0.00 C ATOM 535 C PHE A 34 8.685 11.052 -2.942 1.00 0.00 C ATOM 536 O PHE A 34 7.465 10.970 -2.984 1.00 0.00 O ATOM 537 CB PHE A 34 9.160 8.616 -2.787 1.00 0.00 C ATOM 538 CG PHE A 34 9.286 7.350 -3.593 1.00 0.00 C ATOM 539 CD1 PHE A 34 9.327 6.128 -2.943 1.00 0.00 C ATOM 540 CD2 PHE A 34 9.322 7.365 -4.982 1.00 0.00 C ATOM 541 CE1 PHE A 34 9.403 4.952 -3.651 1.00 0.00 C ATOM 542 CE2 PHE A 34 9.404 6.189 -5.696 1.00 0.00 C ATOM 543 CZ PHE A 34 9.443 4.979 -5.029 1.00 0.00 C ATOM 0 H PHE A 34 11.401 9.656 -2.603 1.00 0.00 H new ATOM 0 HA PHE A 34 9.344 9.836 -4.581 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.786 8.522 -1.900 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.130 8.702 -2.442 1.00 0.00 H new ATOM 0 HD1 PHE A 34 9.299 6.098 -1.864 1.00 0.00 H new ATOM 0 HD2 PHE A 34 9.285 8.308 -5.507 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.431 4.007 -3.128 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.438 6.213 -6.775 1.00 0.00 H new ATOM 0 HZ PHE A 34 9.505 4.056 -5.586 1.00 0.00 H new ATOM 553 N GLU A 35 9.305 12.097 -2.393 1.00 0.00 N ATOM 554 CA GLU A 35 8.534 13.204 -1.823 1.00 0.00 C ATOM 555 C GLU A 35 8.544 14.440 -2.736 1.00 0.00 C ATOM 556 O GLU A 35 7.852 15.420 -2.459 1.00 0.00 O ATOM 557 CB GLU A 35 9.080 13.574 -0.440 1.00 0.00 C ATOM 558 CG GLU A 35 8.716 12.576 0.649 1.00 0.00 C ATOM 559 CD GLU A 35 9.440 12.843 1.956 1.00 0.00 C ATOM 560 OE1 GLU A 35 10.548 12.299 2.142 1.00 0.00 O ATOM 561 OE2 GLU A 35 8.898 13.597 2.791 1.00 0.00 O ATOM 0 H GLU A 35 10.318 12.201 -2.331 1.00 0.00 H new ATOM 0 HA GLU A 35 7.502 12.867 -1.729 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.165 13.655 -0.498 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.701 14.557 -0.161 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.640 12.609 0.821 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.953 11.569 0.307 1.00 0.00 H new ATOM 568 N HIS A 36 9.321 14.392 -3.824 1.00 0.00 N ATOM 569 CA HIS A 36 9.400 15.514 -4.766 1.00 0.00 C ATOM 570 C HIS A 36 8.401 15.335 -5.907 1.00 0.00 C ATOM 571 O HIS A 36 7.623 16.239 -6.217 1.00 0.00 O ATOM 572 CB HIS A 36 10.813 15.641 -5.349 1.00 0.00 C ATOM 573 CG HIS A 36 11.910 15.464 -4.354 1.00 0.00 C ATOM 574 ND1 HIS A 36 12.851 14.503 -4.260 1.00 0.00 N flip ATOM 575 CD2 HIS A 36 12.143 16.334 -3.310 1.00 0.00 C flip ATOM 576 CE1 HIS A 36 13.633 14.802 -3.172 1.00 0.00 C flip ATOM 577 NE2 HIS A 36 13.185 15.913 -2.615 1.00 0.00 N flip ATOM 0 H HIS A 36 9.902 13.592 -4.073 1.00 0.00 H new ATOM 0 HA HIS A 36 9.158 16.422 -4.214 1.00 0.00 H new ATOM 0 HB2 HIS A 36 10.934 14.901 -6.140 1.00 0.00 H new ATOM 0 HB3 HIS A 36 10.915 16.622 -5.812 1.00 0.00 H new ATOM 0 HD2 HIS A 36 11.565 17.220 -3.094 1.00 0.00 H new ATOM 0 HE1 HIS A 36 14.477 14.223 -2.827 1.00 0.00 H new ATOM 0 HE2 HIS A 36 13.576 16.368 -1.790 1.00 0.00 H new ATOM 586 N HIS A 37 8.439 14.155 -6.527 1.00 0.00 N ATOM 587 CA HIS A 37 7.550 13.826 -7.644 1.00 0.00 C ATOM 588 C HIS A 37 6.146 13.506 -7.145 1.00 0.00 C ATOM 589 O HIS A 37 5.150 13.844 -7.780 1.00 0.00 O ATOM 590 CB HIS A 37 8.095 12.620 -8.416 1.00 0.00 C ATOM 591 CG HIS A 37 9.566 12.626 -8.542 1.00 0.00 C ATOM 592 ND1 HIS A 37 10.501 11.973 -7.828 1.00 0.00 N flip ATOM 593 CD2 HIS A 37 10.234 13.386 -9.464 1.00 0.00 C flip ATOM 594 CE1 HIS A 37 11.720 12.348 -8.327 1.00 0.00 C flip ATOM 595 NE2 HIS A 37 11.524 13.203 -9.315 1.00 0.00 N flip ATOM 0 H HIS A 37 9.081 13.405 -6.272 1.00 0.00 H new ATOM 0 HA HIS A 37 7.504 14.694 -8.302 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.784 11.704 -7.913 1.00 0.00 H new ATOM 0 HB3 HIS A 37 7.652 12.604 -9.412 1.00 0.00 H new ATOM 0 HD1 HIS A 37 10.334 11.322 -7.061 1.00 0.00 H new ATOM 0 HD2 HIS A 37 9.773 14.032 -10.196 1.00 0.00 H new ATOM 0 HE1 HIS A 37 12.680 12.003 -7.973 1.00 0.00 H new ATOM 604 N PHE A 38 6.091 12.823 -6.008 1.00 0.00 N ATOM 605 CA PHE A 38 4.834 12.403 -5.400 1.00 0.00 C ATOM 606 C PHE A 38 4.024 13.582 -4.842 1.00 0.00 C ATOM 607 O PHE A 38 2.799 13.496 -4.735 1.00 0.00 O ATOM 608 CB PHE A 38 5.138 11.395 -4.286 1.00 0.00 C ATOM 609 CG PHE A 38 5.621 10.040 -4.778 1.00 0.00 C ATOM 610 CD1 PHE A 38 5.620 8.940 -3.920 1.00 0.00 C ATOM 611 CD2 PHE A 38 6.069 9.852 -6.092 1.00 0.00 C ATOM 612 CE1 PHE A 38 6.039 7.700 -4.358 1.00 0.00 C ATOM 613 CE2 PHE A 38 6.491 8.610 -6.525 1.00 0.00 C ATOM 614 CZ PHE A 38 6.471 7.534 -5.659 1.00 0.00 C ATOM 0 H PHE A 38 6.918 12.544 -5.480 1.00 0.00 H new ATOM 0 HA PHE A 38 4.220 11.944 -6.175 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.895 11.819 -3.626 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.238 11.251 -3.688 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.287 9.060 -2.900 1.00 0.00 H new ATOM 0 HD2 PHE A 38 6.085 10.689 -6.775 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.029 6.858 -3.682 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.836 8.480 -7.540 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.794 6.561 -6.000 1.00 0.00 H new ATOM 624 N GLU A 39 4.703 14.676 -4.482 1.00 0.00 N ATOM 625 CA GLU A 39 4.025 15.854 -3.928 1.00 0.00 C ATOM 626 C GLU A 39 3.577 16.830 -5.019 1.00 0.00 C ATOM 627 O GLU A 39 2.534 17.472 -4.886 1.00 0.00 O ATOM 628 CB GLU A 39 4.938 16.575 -2.927 1.00 0.00 C ATOM 629 CG GLU A 39 5.011 15.901 -1.563 1.00 0.00 C ATOM 630 CD GLU A 39 3.808 16.206 -0.690 1.00 0.00 C ATOM 631 OE1 GLU A 39 2.812 15.456 -0.768 1.00 0.00 O ATOM 632 OE2 GLU A 39 3.862 17.195 0.072 1.00 0.00 O ATOM 0 H GLU A 39 5.715 14.771 -4.563 1.00 0.00 H new ATOM 0 HA GLU A 39 3.131 15.498 -3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.943 16.637 -3.345 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.583 17.598 -2.798 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.091 14.823 -1.700 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.917 16.225 -1.051 1.00 0.00 H new ATOM 639 N GLU A 40 4.364 16.947 -6.094 1.00 0.00 N ATOM 640 CA GLU A 40 4.029 17.860 -7.193 1.00 0.00 C ATOM 641 C GLU A 40 2.671 17.522 -7.812 1.00 0.00 C ATOM 642 O GLU A 40 1.940 18.418 -8.239 1.00 0.00 O ATOM 643 CB GLU A 40 5.119 17.845 -8.274 1.00 0.00 C ATOM 644 CG GLU A 40 5.373 16.480 -8.903 1.00 0.00 C ATOM 645 CD GLU A 40 5.995 16.578 -10.283 1.00 0.00 C ATOM 646 OE1 GLU A 40 5.237 16.625 -11.275 1.00 0.00 O ATOM 647 OE2 GLU A 40 7.241 16.607 -10.373 1.00 0.00 O ATOM 0 H GLU A 40 5.231 16.426 -6.227 1.00 0.00 H new ATOM 0 HA GLU A 40 3.969 18.863 -6.770 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.841 18.546 -9.061 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.050 18.208 -7.838 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.030 15.902 -8.253 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.431 15.935 -8.971 1.00 0.00 H new ATOM 654 N SER A 41 2.339 16.230 -7.857 1.00 0.00 N ATOM 655 CA SER A 41 1.069 15.785 -8.425 1.00 0.00 C ATOM 656 C SER A 41 0.237 15.005 -7.408 1.00 0.00 C ATOM 657 O SER A 41 -0.174 13.873 -7.666 1.00 0.00 O ATOM 658 CB SER A 41 1.305 14.927 -9.669 1.00 0.00 C ATOM 659 OG SER A 41 0.827 15.575 -10.835 1.00 0.00 O ATOM 0 H SER A 41 2.932 15.477 -7.507 1.00 0.00 H new ATOM 0 HA SER A 41 0.511 16.678 -8.706 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.370 14.720 -9.775 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.804 13.966 -9.552 1.00 0.00 H new ATOM 0 HG SER A 41 0.307 14.941 -11.372 1.00 0.00 H new ATOM 665 N SER A 42 -0.036 15.621 -6.258 1.00 0.00 N ATOM 666 CA SER A 42 -0.850 14.975 -5.231 1.00 0.00 C ATOM 667 C SER A 42 -2.216 14.575 -5.808 1.00 0.00 C ATOM 668 O SER A 42 -2.698 13.471 -5.551 1.00 0.00 O ATOM 669 CB SER A 42 -1.035 15.900 -4.023 1.00 0.00 C ATOM 670 OG SER A 42 -1.306 15.156 -2.847 1.00 0.00 O ATOM 0 H SER A 42 0.291 16.556 -6.016 1.00 0.00 H new ATOM 0 HA SER A 42 -0.331 14.076 -4.898 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.136 16.499 -3.879 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.853 16.594 -4.215 1.00 0.00 H new ATOM 0 HG SER A 42 -1.418 15.769 -2.091 1.00 0.00 H new ATOM 676 N PRO A 43 -2.860 15.470 -6.605 1.00 0.00 N ATOM 677 CA PRO A 43 -4.175 15.203 -7.219 1.00 0.00 C ATOM 678 C PRO A 43 -4.197 13.989 -8.149 1.00 0.00 C ATOM 679 O PRO A 43 -5.273 13.475 -8.446 1.00 0.00 O ATOM 680 CB PRO A 43 -4.475 16.482 -8.013 1.00 0.00 C ATOM 681 CG PRO A 43 -3.633 17.523 -7.369 1.00 0.00 C ATOM 682 CD PRO A 43 -2.375 16.817 -6.965 1.00 0.00 C ATOM 0 HA PRO A 43 -4.912 14.965 -6.452 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.223 16.364 -9.067 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.533 16.741 -7.965 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.422 18.340 -8.058 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.136 17.957 -6.505 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.651 16.782 -7.779 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.886 17.310 -6.124 1.00 0.00 H new ATOM 690 N CYS A 44 -3.025 13.489 -8.564 1.00 0.00 N ATOM 691 CA CYS A 44 -2.969 12.295 -9.408 1.00 0.00 C ATOM 692 C CYS A 44 -3.234 11.079 -8.539 1.00 0.00 C ATOM 693 O CYS A 44 -3.961 10.160 -8.921 1.00 0.00 O ATOM 694 CB CYS A 44 -1.599 12.168 -10.091 1.00 0.00 C ATOM 695 SG CYS A 44 -1.077 10.448 -10.432 1.00 0.00 S ATOM 0 H CYS A 44 -2.116 13.889 -8.331 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.724 12.370 -10.191 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.623 12.720 -11.031 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.848 12.644 -9.461 1.00 0.00 H new ATOM 700 N LEU A 45 -2.646 11.106 -7.348 1.00 0.00 N ATOM 701 CA LEU A 45 -2.816 10.026 -6.382 1.00 0.00 C ATOM 702 C LEU A 45 -4.203 10.084 -5.720 1.00 0.00 C ATOM 703 O LEU A 45 -4.543 9.200 -4.934 1.00 0.00 O ATOM 704 CB LEU A 45 -1.718 10.015 -5.294 1.00 0.00 C ATOM 705 CG LEU A 45 -0.527 10.959 -5.476 1.00 0.00 C ATOM 706 CD1 LEU A 45 0.109 11.274 -4.133 1.00 0.00 C ATOM 707 CD2 LEU A 45 0.505 10.361 -6.428 1.00 0.00 C ATOM 0 H LEU A 45 -2.046 11.866 -7.027 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.726 9.100 -6.949 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.189 10.250 -4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.332 8.999 -5.217 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.894 11.887 -5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.954 11.946 -4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.626 11.751 -3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.456 10.351 -3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.341 11.052 -6.540 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.867 9.416 -6.024 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.045 10.188 -7.401 1.00 0.00 H new ATOM 719 N GLU A 46 -5.015 11.110 -6.043 1.00 0.00 N ATOM 720 CA GLU A 46 -6.361 11.240 -5.470 1.00 0.00 C ATOM 721 C GLU A 46 -7.439 10.887 -6.501 1.00 0.00 C ATOM 722 O GLU A 46 -8.635 11.065 -6.262 1.00 0.00 O ATOM 723 CB GLU A 46 -6.571 12.656 -4.943 1.00 0.00 C ATOM 724 CG GLU A 46 -5.401 13.160 -4.117 1.00 0.00 C ATOM 725 CD GLU A 46 -5.831 13.974 -2.909 1.00 0.00 C ATOM 726 OE1 GLU A 46 -5.342 15.113 -2.757 1.00 0.00 O ATOM 727 OE2 GLU A 46 -6.656 13.472 -2.116 1.00 0.00 O ATOM 0 H GLU A 46 -4.761 11.854 -6.693 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.448 10.536 -4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.733 13.331 -5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.476 12.681 -4.335 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.808 12.309 -3.782 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.755 13.771 -4.748 1.00 0.00 H new ATOM 734 N LYS A 47 -6.988 10.311 -7.610 1.00 0.00 N ATOM 735 CA LYS A 47 -7.895 9.837 -8.659 1.00 0.00 C ATOM 736 C LYS A 47 -8.248 8.378 -8.398 1.00 0.00 C ATOM 737 O LYS A 47 -9.421 7.999 -8.379 1.00 0.00 O ATOM 738 CB LYS A 47 -7.290 9.956 -10.061 1.00 0.00 C ATOM 739 CG LYS A 47 -7.332 11.358 -10.634 1.00 0.00 C ATOM 740 CD LYS A 47 -5.934 11.892 -10.867 1.00 0.00 C ATOM 741 CE LYS A 47 -5.738 12.378 -12.298 1.00 0.00 C ATOM 742 NZ LYS A 47 -5.757 11.256 -13.280 1.00 0.00 N ATOM 0 H LYS A 47 -5.999 10.159 -7.810 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.783 10.469 -8.627 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.254 9.619 -10.028 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.823 9.284 -10.734 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.885 11.354 -11.573 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.868 12.018 -9.951 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.740 12.712 -10.176 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.206 11.111 -10.647 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.523 13.092 -12.549 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.789 12.909 -12.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.422 11.597 -14.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.135 10.492 -12.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.728 10.895 -13.376 1.00 0.00 H new ATOM 756 N TYR A 48 -7.207 7.570 -8.218 1.00 0.00 N ATOM 757 CA TYR A 48 -7.359 6.137 -7.977 1.00 0.00 C ATOM 758 C TYR A 48 -7.134 5.778 -6.505 1.00 0.00 C ATOM 759 O TYR A 48 -7.545 4.705 -6.059 1.00 0.00 O ATOM 760 CB TYR A 48 -6.389 5.364 -8.877 1.00 0.00 C ATOM 761 CG TYR A 48 -6.483 5.773 -10.334 1.00 0.00 C ATOM 762 CD1 TYR A 48 -7.267 5.058 -11.232 1.00 0.00 C ATOM 763 CD2 TYR A 48 -5.800 6.890 -10.806 1.00 0.00 C ATOM 764 CE1 TYR A 48 -7.367 5.442 -12.556 1.00 0.00 C ATOM 765 CE2 TYR A 48 -5.893 7.280 -12.128 1.00 0.00 C ATOM 766 CZ TYR A 48 -6.679 6.553 -12.999 1.00 0.00 C ATOM 767 OH TYR A 48 -6.776 6.939 -14.316 1.00 0.00 O ATOM 0 H TYR A 48 -6.238 7.888 -8.235 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.384 5.856 -8.219 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.370 5.523 -8.525 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.593 4.297 -8.791 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -7.807 4.188 -10.889 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.186 7.462 -10.126 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -7.981 4.875 -13.240 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.354 8.148 -12.478 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.231 7.740 -14.463 1.00 0.00 H new ATOM 777 N GLY A 49 -6.489 6.675 -5.749 1.00 0.00 N ATOM 778 CA GLY A 49 -6.236 6.420 -4.345 1.00 0.00 C ATOM 779 C GLY A 49 -4.835 5.906 -4.095 1.00 0.00 C ATOM 780 O GLY A 49 -4.648 4.925 -3.372 1.00 0.00 O ATOM 0 H GLY A 49 -6.140 7.571 -6.090 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.390 7.338 -3.778 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.958 5.693 -3.975 1.00 0.00 H new ATOM 784 N LEU A 50 -3.848 6.568 -4.696 1.00 0.00 N ATOM 785 CA LEU A 50 -2.452 6.173 -4.539 1.00 0.00 C ATOM 786 C LEU A 50 -1.755 6.990 -3.452 1.00 0.00 C ATOM 787 O LEU A 50 -0.734 6.557 -2.922 1.00 0.00 O ATOM 788 CB LEU A 50 -1.691 6.322 -5.863 1.00 0.00 C ATOM 789 CG LEU A 50 -2.152 5.405 -7.003 1.00 0.00 C ATOM 790 CD1 LEU A 50 -1.226 5.548 -8.206 1.00 0.00 C ATOM 791 CD2 LEU A 50 -2.224 3.950 -6.544 1.00 0.00 C ATOM 0 H LEU A 50 -3.991 7.380 -5.296 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.447 5.125 -4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.778 7.356 -6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.634 6.135 -5.676 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.156 5.709 -7.300 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.566 4.891 -9.007 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.238 6.581 -8.554 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.211 5.274 -7.918 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.553 3.323 -7.372 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.238 3.624 -6.212 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.932 3.863 -5.720 1.00 0.00 H new ATOM 803 N GLU A 51 -2.295 8.175 -3.124 1.00 0.00 N ATOM 804 CA GLU A 51 -1.676 9.023 -2.092 1.00 0.00 C ATOM 805 C GLU A 51 -1.392 8.187 -0.842 1.00 0.00 C ATOM 806 O GLU A 51 -0.249 8.026 -0.421 1.00 0.00 O ATOM 807 CB GLU A 51 -2.554 10.227 -1.711 1.00 0.00 C ATOM 808 CG GLU A 51 -3.994 10.102 -2.151 1.00 0.00 C ATOM 809 CD GLU A 51 -4.954 10.889 -1.277 1.00 0.00 C ATOM 810 OE1 GLU A 51 -4.597 12.012 -0.861 1.00 0.00 O ATOM 811 OE2 GLU A 51 -6.064 10.383 -1.008 1.00 0.00 O ATOM 0 H GLU A 51 -3.139 8.561 -3.547 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.748 9.414 -2.510 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.525 10.356 -0.629 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.127 11.128 -2.151 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.084 10.447 -3.181 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.281 9.051 -2.140 1.00 0.00 H new ATOM 818 N GLN A 52 -2.476 7.652 -0.288 1.00 0.00 N ATOM 819 CA GLN A 52 -2.435 6.805 0.904 1.00 0.00 C ATOM 820 C GLN A 52 -1.344 5.730 0.800 1.00 0.00 C ATOM 821 O GLN A 52 -0.690 5.408 1.792 1.00 0.00 O ATOM 822 CB GLN A 52 -3.807 6.150 1.124 1.00 0.00 C ATOM 823 CG GLN A 52 -3.836 5.123 2.250 1.00 0.00 C ATOM 824 CD GLN A 52 -4.868 5.447 3.317 1.00 0.00 C ATOM 825 OE1 GLN A 52 -4.567 6.122 4.301 1.00 0.00 O ATOM 826 NE2 GLN A 52 -6.095 4.968 3.128 1.00 0.00 N ATOM 0 H GLN A 52 -3.417 7.794 -0.656 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.192 7.437 1.758 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.539 6.929 1.339 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.119 5.666 0.198 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.049 4.139 1.832 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.850 5.067 2.710 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.303 4.412 2.298 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.827 5.156 3.813 1.00 0.00 H new ATOM 835 N ALA A 53 -1.153 5.173 -0.398 1.00 0.00 N ATOM 836 CA ALA A 53 -0.143 4.131 -0.603 1.00 0.00 C ATOM 837 C ALA A 53 1.272 4.708 -0.702 1.00 0.00 C ATOM 838 O ALA A 53 2.180 4.244 -0.011 1.00 0.00 O ATOM 839 CB ALA A 53 -0.461 3.300 -1.839 1.00 0.00 C ATOM 0 H ALA A 53 -1.679 5.423 -1.235 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.174 3.485 0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.303 2.534 -1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.434 2.825 -1.717 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.480 3.946 -2.717 1.00 0.00 H new ATOM 845 N VAL A 54 1.463 5.704 -1.572 1.00 0.00 N ATOM 846 CA VAL A 54 2.783 6.320 -1.764 1.00 0.00 C ATOM 847 C VAL A 54 3.312 6.958 -0.472 1.00 0.00 C ATOM 848 O VAL A 54 4.510 6.884 -0.200 1.00 0.00 O ATOM 849 CB VAL A 54 2.778 7.358 -2.915 1.00 0.00 C ATOM 850 CG1 VAL A 54 2.359 6.704 -4.228 1.00 0.00 C ATOM 851 CG2 VAL A 54 1.883 8.545 -2.596 1.00 0.00 C ATOM 0 H VAL A 54 0.725 6.101 -2.153 1.00 0.00 H new ATOM 0 HA VAL A 54 3.459 5.512 -2.043 1.00 0.00 H new ATOM 0 HB VAL A 54 3.795 7.734 -3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.362 7.450 -5.023 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.059 5.906 -4.476 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.357 6.289 -4.124 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.905 9.251 -3.426 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.861 8.199 -2.441 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.240 9.037 -1.691 1.00 0.00 H new ATOM 861 N LYS A 55 2.423 7.540 0.348 1.00 0.00 N ATOM 862 CA LYS A 55 2.848 8.121 1.628 1.00 0.00 C ATOM 863 C LYS A 55 3.513 7.021 2.449 1.00 0.00 C ATOM 864 O LYS A 55 4.536 7.228 3.105 1.00 0.00 O ATOM 865 CB LYS A 55 1.650 8.684 2.418 1.00 0.00 C ATOM 866 CG LYS A 55 0.827 9.755 1.706 1.00 0.00 C ATOM 867 CD LYS A 55 1.667 10.626 0.778 1.00 0.00 C ATOM 868 CE LYS A 55 0.863 11.795 0.226 1.00 0.00 C ATOM 869 NZ LYS A 55 1.666 12.632 -0.709 1.00 0.00 N ATOM 0 H LYS A 55 1.425 7.620 0.152 1.00 0.00 H new ATOM 0 HA LYS A 55 3.537 8.942 1.432 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.989 7.857 2.676 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.020 9.101 3.355 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.036 9.275 1.129 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.341 10.387 2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.535 11.004 1.319 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.044 10.021 -0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.018 11.417 -0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.507 12.412 1.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.851 13.558 -0.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.569 12.158 -0.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.139 12.765 -1.596 1.00 0.00 H new ATOM 883 N LYS A 56 2.898 5.842 2.374 1.00 0.00 N ATOM 884 CA LYS A 56 3.375 4.656 3.069 1.00 0.00 C ATOM 885 C LYS A 56 4.663 4.170 2.421 1.00 0.00 C ATOM 886 O LYS A 56 5.598 3.761 3.106 1.00 0.00 O ATOM 887 CB LYS A 56 2.300 3.567 3.070 1.00 0.00 C ATOM 888 CG LYS A 56 1.384 3.593 4.295 1.00 0.00 C ATOM 889 CD LYS A 56 1.184 5.005 4.857 1.00 0.00 C ATOM 890 CE LYS A 56 -0.236 5.515 4.649 1.00 0.00 C ATOM 891 NZ LYS A 56 -0.790 6.144 5.881 1.00 0.00 N ATOM 0 H LYS A 56 2.052 5.686 1.826 1.00 0.00 H new ATOM 0 HA LYS A 56 3.587 4.905 4.109 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.691 3.672 2.172 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.785 2.593 3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.415 3.173 4.027 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.805 2.954 5.071 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.415 5.006 5.922 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.886 5.687 4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.245 6.241 3.836 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.877 4.688 4.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.758 6.477 5.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.806 5.445 6.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.193 6.950 6.158 1.00 0.00 H new ATOM 905 N LEU A 57 4.711 4.238 1.091 1.00 0.00 N ATOM 906 CA LEU A 57 5.889 3.835 0.329 1.00 0.00 C ATOM 907 C LEU A 57 7.128 4.614 0.778 1.00 0.00 C ATOM 908 O LEU A 57 8.217 4.057 0.901 1.00 0.00 O ATOM 909 CB LEU A 57 5.629 4.081 -1.162 1.00 0.00 C ATOM 910 CG LEU A 57 6.595 3.412 -2.136 1.00 0.00 C ATOM 911 CD1 LEU A 57 7.187 2.130 -1.560 1.00 0.00 C ATOM 912 CD2 LEU A 57 5.905 3.127 -3.459 1.00 0.00 C ATOM 0 H LEU A 57 3.938 4.572 0.515 1.00 0.00 H new ATOM 0 HA LEU A 57 6.076 2.776 0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.620 3.742 -1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.653 5.156 -1.341 1.00 0.00 H new ATOM 0 HG LEU A 57 7.418 4.106 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.869 1.686 -2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.731 2.360 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.385 1.426 -1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.609 2.650 -4.141 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.056 2.464 -3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.554 4.062 -3.895 1.00 0.00 H new ATOM 924 N VAL A 58 6.940 5.912 1.009 1.00 0.00 N ATOM 925 CA VAL A 58 8.026 6.800 1.439 1.00 0.00 C ATOM 926 C VAL A 58 8.617 6.377 2.796 1.00 0.00 C ATOM 927 O VAL A 58 9.797 6.605 3.066 1.00 0.00 O ATOM 928 CB VAL A 58 7.529 8.262 1.550 1.00 0.00 C ATOM 929 CG1 VAL A 58 8.605 9.170 2.144 1.00 0.00 C ATOM 930 CG2 VAL A 58 7.071 8.786 0.192 1.00 0.00 C ATOM 0 H VAL A 58 6.039 6.378 0.905 1.00 0.00 H new ATOM 0 HA VAL A 58 8.805 6.726 0.680 1.00 0.00 H new ATOM 0 HB VAL A 58 6.674 8.270 2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.225 10.190 2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.869 8.817 3.141 1.00 0.00 H new ATOM 0 HG13 VAL A 58 9.489 9.152 1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.726 9.815 0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.903 8.752 -0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.255 8.166 -0.181 1.00 0.00 H new ATOM 940 N LYS A 59 7.780 5.781 3.649 1.00 0.00 N ATOM 941 CA LYS A 59 8.181 5.339 4.984 1.00 0.00 C ATOM 942 C LYS A 59 9.430 4.451 4.964 1.00 0.00 C ATOM 943 O LYS A 59 10.248 4.515 5.882 1.00 0.00 O ATOM 944 CB LYS A 59 7.005 4.601 5.632 1.00 0.00 C ATOM 945 CG LYS A 59 7.379 3.721 6.820 1.00 0.00 C ATOM 946 CD LYS A 59 7.482 2.260 6.408 1.00 0.00 C ATOM 947 CE LYS A 59 6.149 1.537 6.551 1.00 0.00 C ATOM 948 NZ LYS A 59 6.271 0.079 6.272 1.00 0.00 N ATOM 0 H LYS A 59 6.802 5.591 3.431 1.00 0.00 H new ATOM 0 HA LYS A 59 8.445 6.221 5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.269 5.336 5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.522 3.981 4.876 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.330 4.052 7.237 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.631 3.829 7.606 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.821 2.197 5.374 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.233 1.762 7.020 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.765 1.682 7.561 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.423 1.977 5.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.324 -0.350 6.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.739 -0.061 5.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.836 -0.372 7.020 1.00 0.00 H new ATOM 962 N ARG A 60 9.565 3.621 3.929 1.00 0.00 N ATOM 963 CA ARG A 60 10.716 2.713 3.814 1.00 0.00 C ATOM 964 C ARG A 60 12.033 3.423 4.150 1.00 0.00 C ATOM 965 O ARG A 60 12.710 3.059 5.111 1.00 0.00 O ATOM 966 CB ARG A 60 10.791 2.112 2.411 1.00 0.00 C ATOM 967 CG ARG A 60 9.508 1.426 1.956 1.00 0.00 C ATOM 968 CD ARG A 60 9.703 0.678 0.647 1.00 0.00 C ATOM 969 NE ARG A 60 10.201 1.537 -0.431 1.00 0.00 N ATOM 970 CZ ARG A 60 10.240 1.174 -1.716 1.00 0.00 C ATOM 971 NH1 ARG A 60 9.807 -0.026 -2.095 1.00 0.00 N ATOM 972 NH2 ARG A 60 10.709 2.017 -2.627 1.00 0.00 N ATOM 0 H ARG A 60 8.898 3.556 3.160 1.00 0.00 H new ATOM 0 HA ARG A 60 10.570 1.911 4.538 1.00 0.00 H new ATOM 0 HB2 ARG A 60 11.038 2.902 1.702 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.607 1.390 2.380 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.175 0.730 2.726 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.721 2.170 1.836 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.403 -0.143 0.804 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.755 0.234 0.343 1.00 0.00 H new ATOM 0 HE ARG A 60 10.538 2.468 -0.185 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.441 -0.678 -1.402 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.841 -0.293 -3.079 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.039 2.940 -2.346 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.740 1.742 -3.609 1.00 0.00 H new ATOM 986 N ALA A 61 12.379 4.442 3.354 1.00 0.00 N ATOM 987 CA ALA A 61 13.607 5.228 3.552 1.00 0.00 C ATOM 988 C ALA A 61 14.759 4.392 4.137 1.00 0.00 C ATOM 989 O ALA A 61 15.405 3.633 3.414 1.00 0.00 O ATOM 990 CB ALA A 61 13.308 6.446 4.422 1.00 0.00 C ATOM 0 H ALA A 61 11.819 4.746 2.557 1.00 0.00 H new ATOM 0 HA ALA A 61 13.946 5.564 2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.221 7.024 4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 61 12.558 7.067 3.933 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.931 6.118 5.391 1.00 0.00 H new ATOM 996 N ALA A 62 15.011 4.534 5.446 1.00 0.00 N ATOM 997 CA ALA A 62 16.078 3.795 6.115 1.00 0.00 C ATOM 998 C ALA A 62 15.714 3.517 7.573 1.00 0.00 C ATOM 999 O ALA A 62 15.059 4.334 8.223 1.00 0.00 O ATOM 1000 CB ALA A 62 17.391 4.563 6.030 1.00 0.00 C ATOM 0 H ALA A 62 14.486 5.157 6.059 1.00 0.00 H new ATOM 0 HA ALA A 62 16.202 2.839 5.607 1.00 0.00 H new ATOM 0 HB1 ALA A 62 18.176 3.999 6.533 1.00 0.00 H new ATOM 0 HB2 ALA A 62 17.661 4.707 4.984 1.00 0.00 H new ATOM 0 HB3 ALA A 62 17.276 5.534 6.512 1.00 0.00 H new ATOM 1006 N GLY A 63 16.134 2.355 8.079 1.00 0.00 N ATOM 1007 CA GLY A 63 15.832 1.984 9.454 1.00 0.00 C ATOM 1008 C GLY A 63 14.356 1.681 9.662 1.00 0.00 C ATOM 1009 O GLY A 63 13.831 1.852 10.763 1.00 0.00 O ATOM 0 H GLY A 63 16.678 1.665 7.560 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.422 1.110 9.729 1.00 0.00 H new ATOM 0 HA3 GLY A 63 16.131 2.793 10.120 1.00 0.00 H new ATOM 1013 N GLN A 64 13.690 1.235 8.593 1.00 0.00 N ATOM 1014 CA GLN A 64 12.267 0.908 8.638 1.00 0.00 C ATOM 1015 C GLN A 64 12.017 -0.473 8.042 1.00 0.00 C ATOM 1016 O GLN A 64 12.960 -1.233 7.814 1.00 0.00 O ATOM 1017 CB GLN A 64 11.460 1.986 7.897 1.00 0.00 C ATOM 1018 CG GLN A 64 11.392 3.316 8.638 1.00 0.00 C ATOM 1019 CD GLN A 64 10.398 3.300 9.787 1.00 0.00 C ATOM 1020 OE1 GLN A 64 9.211 3.564 9.598 1.00 0.00 O ATOM 1021 NE2 GLN A 64 10.878 2.990 10.988 1.00 0.00 N ATOM 0 H GLN A 64 14.121 1.092 7.679 1.00 0.00 H new ATOM 0 HA GLN A 64 11.939 0.886 9.677 1.00 0.00 H new ATOM 0 HB2 GLN A 64 11.904 2.149 6.915 1.00 0.00 H new ATOM 0 HB3 GLN A 64 10.447 1.620 7.732 1.00 0.00 H new ATOM 0 HG2 GLN A 64 12.381 3.563 9.023 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.117 4.104 7.937 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.869 2.777 11.102 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.255 2.965 11.795 1.00 0.00 H new ATOM 1030 N ASP A 65 10.746 -0.799 7.786 1.00 0.00 N ATOM 1031 CA ASP A 65 10.387 -2.091 7.208 1.00 0.00 C ATOM 1032 C ASP A 65 11.187 -2.345 5.927 1.00 0.00 C ATOM 1033 O ASP A 65 11.448 -3.493 5.567 1.00 0.00 O ATOM 1034 CB ASP A 65 8.878 -2.135 6.921 1.00 0.00 C ATOM 1035 CG ASP A 65 8.391 -3.515 6.504 1.00 0.00 C ATOM 1036 OD1 ASP A 65 7.284 -3.604 5.933 1.00 0.00 O ATOM 1037 OD2 ASP A 65 9.114 -4.504 6.751 1.00 0.00 O ATOM 0 H ASP A 65 9.953 -0.185 7.971 1.00 0.00 H new ATOM 0 HA ASP A 65 10.630 -2.877 7.923 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.335 -1.818 7.812 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.643 -1.420 6.133 1.00 0.00 H new ATOM 1042 N ASP A 66 11.588 -1.250 5.268 1.00 0.00 N ATOM 1043 CA ASP A 66 12.379 -1.288 4.035 1.00 0.00 C ATOM 1044 C ASP A 66 11.841 -2.267 2.994 1.00 0.00 C ATOM 1045 O ASP A 66 11.512 -3.414 3.295 1.00 0.00 O ATOM 1046 CB ASP A 66 13.837 -1.612 4.319 1.00 0.00 C ATOM 1047 CG ASP A 66 14.530 -0.544 5.146 1.00 0.00 C ATOM 1048 OD1 ASP A 66 15.149 -0.897 6.174 1.00 0.00 O ATOM 1049 OD2 ASP A 66 14.459 0.644 4.765 1.00 0.00 O ATOM 0 H ASP A 66 11.369 -0.304 5.581 1.00 0.00 H new ATOM 0 HA ASP A 66 12.298 -0.285 3.616 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.896 -2.566 4.843 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.367 -1.734 3.375 1.00 0.00 H new ATOM 1054 N VAL A 67 11.796 -1.781 1.757 1.00 0.00 N ATOM 1055 CA VAL A 67 11.340 -2.545 0.583 1.00 0.00 C ATOM 1056 C VAL A 67 10.678 -3.870 0.953 1.00 0.00 C ATOM 1057 O VAL A 67 11.238 -4.946 0.732 1.00 0.00 O ATOM 1058 CB VAL A 67 12.513 -2.812 -0.396 1.00 0.00 C ATOM 1059 CG1 VAL A 67 12.001 -2.971 -1.823 1.00 0.00 C ATOM 1060 CG2 VAL A 67 13.553 -1.700 -0.311 1.00 0.00 C ATOM 0 H VAL A 67 12.079 -0.828 1.530 1.00 0.00 H new ATOM 0 HA VAL A 67 10.587 -1.924 0.097 1.00 0.00 H new ATOM 0 HB VAL A 67 12.994 -3.746 -0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.841 -3.157 -2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.307 -3.810 -1.869 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.488 -2.059 -2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 67 14.366 -1.908 -1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 67 13.090 -0.748 -0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 67 13.948 -1.648 0.704 1.00 0.00 H new ATOM 1070 N PRO A 68 9.457 -3.801 1.512 1.00 0.00 N ATOM 1071 CA PRO A 68 8.692 -4.991 1.901 1.00 0.00 C ATOM 1072 C PRO A 68 8.449 -5.940 0.733 1.00 0.00 C ATOM 1073 O PRO A 68 8.106 -7.107 0.936 1.00 0.00 O ATOM 1074 CB PRO A 68 7.360 -4.419 2.407 1.00 0.00 C ATOM 1075 CG PRO A 68 7.662 -3.007 2.765 1.00 0.00 C ATOM 1076 CD PRO A 68 8.722 -2.557 1.802 1.00 0.00 C ATOM 0 HA PRO A 68 9.226 -5.584 2.643 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.588 -4.476 1.639 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.993 -4.976 3.269 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.771 -2.384 2.684 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.012 -2.931 3.795 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.290 -2.124 0.900 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.370 -1.798 2.241 1.00 0.00 H new ATOM 1084 N GLY A 69 8.593 -5.427 -0.494 1.00 0.00 N ATOM 1085 CA GLY A 69 8.346 -6.237 -1.673 1.00 0.00 C ATOM 1086 C GLY A 69 6.873 -6.245 -2.024 1.00 0.00 C ATOM 1087 O GLY A 69 6.500 -6.359 -3.193 1.00 0.00 O ATOM 0 H GLY A 69 8.876 -4.466 -0.687 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.922 -5.849 -2.513 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.687 -7.257 -1.497 1.00 0.00 H new ATOM 1091 N ASP A 70 6.038 -6.114 -0.990 1.00 0.00 N ATOM 1092 CA ASP A 70 4.596 -6.096 -1.149 1.00 0.00 C ATOM 1093 C ASP A 70 4.083 -4.693 -1.468 1.00 0.00 C ATOM 1094 O ASP A 70 2.935 -4.553 -1.876 1.00 0.00 O ATOM 1095 CB ASP A 70 3.913 -6.625 0.118 1.00 0.00 C ATOM 1096 CG ASP A 70 3.904 -8.141 0.185 1.00 0.00 C ATOM 1097 OD1 ASP A 70 4.857 -8.717 0.750 1.00 0.00 O ATOM 1098 OD2 ASP A 70 2.942 -8.751 -0.329 1.00 0.00 O ATOM 0 H ASP A 70 6.350 -6.018 -0.024 1.00 0.00 H new ATOM 0 HA ASP A 70 4.350 -6.745 -1.990 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.425 -6.229 0.995 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.888 -6.257 0.154 1.00 0.00 H new ATOM 1103 N LEU A 71 4.919 -3.649 -1.306 1.00 0.00 N ATOM 1104 CA LEU A 71 4.460 -2.293 -1.626 1.00 0.00 C ATOM 1105 C LEU A 71 4.600 -2.031 -3.109 1.00 0.00 C ATOM 1106 O LEU A 71 3.635 -1.654 -3.770 1.00 0.00 O ATOM 1107 CB LEU A 71 5.225 -1.214 -0.860 1.00 0.00 C ATOM 1108 CG LEU A 71 5.153 -1.318 0.656 1.00 0.00 C ATOM 1109 CD1 LEU A 71 6.115 -0.325 1.284 1.00 0.00 C ATOM 1110 CD2 LEU A 71 3.726 -1.079 1.147 1.00 0.00 C ATOM 0 H LEU A 71 5.879 -3.716 -0.968 1.00 0.00 H new ATOM 0 HA LEU A 71 3.414 -2.241 -1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.272 -1.251 -1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.842 -0.238 -1.159 1.00 0.00 H new ATOM 0 HG LEU A 71 5.443 -2.325 0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.060 -0.403 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.131 -0.545 0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.845 0.686 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.697 -1.158 2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.400 -0.083 0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.062 -1.825 0.711 1.00 0.00 H new ATOM 1122 N ARG A 72 5.805 -2.247 -3.631 1.00 0.00 N ATOM 1123 CA ARG A 72 6.062 -2.047 -5.053 1.00 0.00 C ATOM 1124 C ARG A 72 5.078 -2.870 -5.875 1.00 0.00 C ATOM 1125 O ARG A 72 4.332 -2.332 -6.687 1.00 0.00 O ATOM 1126 CB ARG A 72 7.494 -2.439 -5.405 1.00 0.00 C ATOM 1127 CG ARG A 72 8.010 -1.795 -6.685 1.00 0.00 C ATOM 1128 CD ARG A 72 8.891 -2.743 -7.486 1.00 0.00 C ATOM 1129 NE ARG A 72 10.180 -2.986 -6.833 1.00 0.00 N ATOM 1130 CZ ARG A 72 10.929 -4.078 -7.024 1.00 0.00 C ATOM 1131 NH1 ARG A 72 10.530 -5.041 -7.851 1.00 0.00 N ATOM 1132 NH2 ARG A 72 12.085 -4.205 -6.382 1.00 0.00 N ATOM 0 H ARG A 72 6.614 -2.559 -3.094 1.00 0.00 H new ATOM 0 HA ARG A 72 5.930 -0.990 -5.284 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.150 -2.162 -4.580 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.550 -3.523 -5.506 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.166 -1.480 -7.298 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.576 -0.897 -6.436 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.371 -3.691 -7.623 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.061 -2.326 -8.479 1.00 0.00 H new ATOM 0 HE ARG A 72 10.529 -2.275 -6.190 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.644 -4.952 -8.348 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.110 -5.869 -7.988 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.399 -3.472 -5.746 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.659 -5.036 -6.525 1.00 0.00 H new ATOM 1146 N ALA A 73 5.099 -4.187 -5.658 1.00 0.00 N ATOM 1147 CA ALA A 73 4.214 -5.108 -6.379 1.00 0.00 C ATOM 1148 C ALA A 73 2.776 -4.610 -6.308 1.00 0.00 C ATOM 1149 O ALA A 73 1.989 -4.787 -7.240 1.00 0.00 O ATOM 1150 CB ALA A 73 4.326 -6.517 -5.812 1.00 0.00 C ATOM 0 H ALA A 73 5.720 -4.641 -4.988 1.00 0.00 H new ATOM 0 HA ALA A 73 4.521 -5.142 -7.424 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.661 -7.184 -6.361 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.353 -6.868 -5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.043 -6.509 -4.759 1.00 0.00 H new ATOM 1156 N LYS A 74 2.468 -3.952 -5.196 1.00 0.00 N ATOM 1157 CA LYS A 74 1.150 -3.373 -4.976 1.00 0.00 C ATOM 1158 C LYS A 74 1.021 -2.109 -5.812 1.00 0.00 C ATOM 1159 O LYS A 74 -0.011 -1.856 -6.431 1.00 0.00 O ATOM 1160 CB LYS A 74 0.938 -3.047 -3.498 1.00 0.00 C ATOM 1161 CG LYS A 74 -0.518 -3.113 -3.053 1.00 0.00 C ATOM 1162 CD LYS A 74 -0.974 -4.547 -2.813 1.00 0.00 C ATOM 1163 CE LYS A 74 -2.412 -4.606 -2.316 1.00 0.00 C ATOM 1164 NZ LYS A 74 -2.881 -6.008 -2.131 1.00 0.00 N ATOM 0 H LYS A 74 3.121 -3.806 -4.426 1.00 0.00 H new ATOM 0 HA LYS A 74 0.389 -4.095 -5.273 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.524 -3.741 -2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.324 -2.047 -3.298 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.645 -2.534 -2.138 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.151 -2.653 -3.812 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.885 -5.117 -3.738 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.317 -5.020 -2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.491 -4.069 -1.371 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.063 -4.097 -3.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.864 -6.003 -1.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.830 -6.514 -3.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.277 -6.487 -1.433 1.00 0.00 H new ATOM 1178 N VAL A 75 2.102 -1.329 -5.832 1.00 0.00 N ATOM 1179 CA VAL A 75 2.155 -0.090 -6.595 1.00 0.00 C ATOM 1180 C VAL A 75 2.152 -0.391 -8.088 1.00 0.00 C ATOM 1181 O VAL A 75 1.269 0.071 -8.810 1.00 0.00 O ATOM 1182 CB VAL A 75 3.401 0.749 -6.230 1.00 0.00 C ATOM 1183 CG1 VAL A 75 3.471 2.022 -7.069 1.00 0.00 C ATOM 1184 CG2 VAL A 75 3.394 1.079 -4.742 1.00 0.00 C ATOM 0 H VAL A 75 2.959 -1.540 -5.321 1.00 0.00 H new ATOM 0 HA VAL A 75 1.270 0.493 -6.341 1.00 0.00 H new ATOM 0 HB VAL A 75 4.290 0.159 -6.451 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.357 2.593 -6.791 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.525 1.759 -8.125 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.581 2.625 -6.891 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.276 1.670 -4.496 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.497 1.648 -4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.404 0.155 -4.164 1.00 0.00 H new ATOM 1194 N MET A 76 3.143 -1.161 -8.557 1.00 0.00 N ATOM 1195 CA MET A 76 3.233 -1.506 -9.977 1.00 0.00 C ATOM 1196 C MET A 76 1.925 -2.140 -10.455 1.00 0.00 C ATOM 1197 O MET A 76 1.386 -1.763 -11.495 1.00 0.00 O ATOM 1198 CB MET A 76 4.436 -2.438 -10.239 1.00 0.00 C ATOM 1199 CG MET A 76 4.362 -3.793 -9.542 1.00 0.00 C ATOM 1200 SD MET A 76 3.844 -5.128 -10.643 1.00 0.00 S ATOM 1201 CE MET A 76 5.414 -5.608 -11.360 1.00 0.00 C ATOM 0 H MET A 76 3.886 -1.552 -7.978 1.00 0.00 H new ATOM 0 HA MET A 76 3.393 -0.591 -10.547 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.523 -2.602 -11.313 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.346 -1.931 -9.920 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.339 -4.034 -9.124 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.665 -3.728 -8.707 1.00 0.00 H new ATOM 0 HE1 MET A 76 5.258 -6.426 -12.064 1.00 0.00 H new ATOM 0 HE2 MET A 76 5.850 -4.757 -11.883 1.00 0.00 H new ATOM 0 HE3 MET A 76 6.090 -5.934 -10.570 1.00 0.00 H new ATOM 1211 N GLY A 77 1.422 -3.100 -9.677 1.00 0.00 N ATOM 1212 CA GLY A 77 0.179 -3.772 -10.017 1.00 0.00 C ATOM 1213 C GLY A 77 -1.001 -2.822 -10.035 1.00 0.00 C ATOM 1214 O GLY A 77 -1.931 -3.000 -10.823 1.00 0.00 O ATOM 0 H GLY A 77 1.857 -3.424 -8.813 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.279 -4.243 -10.995 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.010 -4.569 -9.297 1.00 0.00 H new ATOM 1218 N ARG A 78 -0.943 -1.782 -9.194 1.00 0.00 N ATOM 1219 CA ARG A 78 -1.993 -0.775 -9.152 1.00 0.00 C ATOM 1220 C ARG A 78 -1.857 0.108 -10.376 1.00 0.00 C ATOM 1221 O ARG A 78 -2.850 0.439 -11.017 1.00 0.00 O ATOM 1222 CB ARG A 78 -1.893 0.074 -7.888 1.00 0.00 C ATOM 1223 CG ARG A 78 -2.475 -0.590 -6.646 1.00 0.00 C ATOM 1224 CD ARG A 78 -3.969 -0.321 -6.507 1.00 0.00 C ATOM 1225 NE ARG A 78 -4.245 0.878 -5.712 1.00 0.00 N ATOM 1226 CZ ARG A 78 -5.472 1.321 -5.426 1.00 0.00 C ATOM 1227 NH1 ARG A 78 -6.547 0.671 -5.866 1.00 0.00 N ATOM 1228 NH2 ARG A 78 -5.625 2.420 -4.697 1.00 0.00 N ATOM 0 H ARG A 78 -0.179 -1.622 -8.537 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.964 -1.270 -9.143 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.845 0.310 -7.704 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.408 1.020 -8.057 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.302 -1.665 -6.694 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.956 -0.223 -5.761 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.409 -0.207 -7.498 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.449 -1.182 -6.042 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.450 1.408 -5.354 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.438 -0.174 -6.427 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.480 1.018 -5.642 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.806 2.924 -4.357 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.561 2.760 -4.477 1.00 0.00 H new ATOM 1242 N LEU A 79 -0.607 0.455 -10.723 1.00 0.00 N ATOM 1243 CA LEU A 79 -0.356 1.258 -11.910 1.00 0.00 C ATOM 1244 C LEU A 79 -0.894 0.486 -13.102 1.00 0.00 C ATOM 1245 O LEU A 79 -1.749 0.973 -13.834 1.00 0.00 O ATOM 1246 CB LEU A 79 1.143 1.555 -12.079 1.00 0.00 C ATOM 1247 CG LEU A 79 1.593 1.916 -13.510 1.00 0.00 C ATOM 1248 CD1 LEU A 79 0.634 2.908 -14.162 1.00 0.00 C ATOM 1249 CD2 LEU A 79 3.010 2.471 -13.507 1.00 0.00 C ATOM 0 H LEU A 79 0.229 0.192 -10.201 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.855 2.223 -11.822 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.409 2.377 -11.415 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.708 0.683 -11.749 1.00 0.00 H new ATOM 0 HG LEU A 79 1.580 0.999 -14.100 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.980 3.141 -15.169 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.363 2.470 -14.213 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.599 3.823 -13.570 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.306 2.719 -14.526 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.048 3.369 -12.890 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.693 1.724 -13.102 1.00 0.00 H new ATOM 1261 N ASP A 80 -0.393 -0.740 -13.269 1.00 0.00 N ATOM 1262 CA ASP A 80 -0.827 -1.618 -14.352 1.00 0.00 C ATOM 1263 C ASP A 80 -2.354 -1.693 -14.385 1.00 0.00 C ATOM 1264 O ASP A 80 -2.954 -1.863 -15.447 1.00 0.00 O ATOM 1265 CB ASP A 80 -0.231 -3.020 -14.157 1.00 0.00 C ATOM 1266 CG ASP A 80 -0.584 -3.976 -15.283 1.00 0.00 C ATOM 1267 OD1 ASP A 80 0.113 -3.957 -16.319 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -1.557 -4.742 -15.127 1.00 0.00 O ATOM 0 H ASP A 80 0.318 -1.147 -12.662 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.476 -1.214 -15.301 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.853 -2.941 -14.082 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.587 -3.432 -13.213 1.00 0.00 H new ATOM 1273 N LEU A 81 -2.972 -1.524 -13.212 1.00 0.00 N ATOM 1274 CA LEU A 81 -4.414 -1.526 -13.090 1.00 0.00 C ATOM 1275 C LEU A 81 -4.946 -0.143 -13.473 1.00 0.00 C ATOM 1276 O LEU A 81 -5.947 -0.012 -14.176 1.00 0.00 O ATOM 1277 CB LEU A 81 -4.792 -1.888 -11.644 1.00 0.00 C ATOM 1278 CG LEU A 81 -5.942 -1.091 -11.025 1.00 0.00 C ATOM 1279 CD1 LEU A 81 -7.229 -1.348 -11.788 1.00 0.00 C ATOM 1280 CD2 LEU A 81 -6.098 -1.440 -9.552 1.00 0.00 C ATOM 0 H LEU A 81 -2.480 -1.383 -12.330 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.858 -2.264 -13.758 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.053 -2.946 -11.613 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.910 -1.759 -11.017 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.712 -0.028 -11.095 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.040 -0.775 -11.338 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.103 -1.043 -12.827 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.470 -2.410 -11.748 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.920 -0.864 -9.127 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.310 -2.504 -9.451 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.176 -1.201 -9.022 1.00 0.00 H new ATOM 1292 N ILE A 82 -4.235 0.881 -13.001 1.00 0.00 N ATOM 1293 CA ILE A 82 -4.581 2.277 -13.275 1.00 0.00 C ATOM 1294 C ILE A 82 -4.458 2.571 -14.773 1.00 0.00 C ATOM 1295 O ILE A 82 -5.424 2.995 -15.411 1.00 0.00 O ATOM 1296 CB ILE A 82 -3.680 3.245 -12.460 1.00 0.00 C ATOM 1297 CG1 ILE A 82 -4.061 3.193 -10.974 1.00 0.00 C ATOM 1298 CG2 ILE A 82 -3.775 4.674 -12.988 1.00 0.00 C ATOM 1299 CD1 ILE A 82 -2.934 3.576 -10.038 1.00 0.00 C ATOM 0 H ILE A 82 -3.405 0.767 -12.419 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.615 2.437 -12.968 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.646 2.921 -12.573 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.906 3.860 -10.802 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.396 2.185 -10.730 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.132 5.325 -12.395 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.455 4.699 -14.030 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.806 5.020 -12.917 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.281 3.515 -9.007 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.096 2.894 -10.180 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.613 4.595 -10.253 1.00 0.00 H new ATOM 1311 N ARG A 83 -3.265 2.334 -15.325 1.00 0.00 N ATOM 1312 CA ARG A 83 -2.998 2.556 -16.749 1.00 0.00 C ATOM 1313 C ARG A 83 -4.014 1.822 -17.631 1.00 0.00 C ATOM 1314 O ARG A 83 -4.414 2.330 -18.681 1.00 0.00 O ATOM 1315 CB ARG A 83 -1.569 2.112 -17.091 1.00 0.00 C ATOM 1316 CG ARG A 83 -1.281 0.645 -16.801 1.00 0.00 C ATOM 1317 CD ARG A 83 -1.163 -0.163 -18.076 1.00 0.00 C ATOM 1318 NE ARG A 83 0.080 -0.939 -18.131 1.00 0.00 N ATOM 1319 CZ ARG A 83 1.265 -0.443 -18.505 1.00 0.00 C ATOM 1320 NH1 ARG A 83 1.388 0.834 -18.857 1.00 0.00 N ATOM 1321 NH2 ARG A 83 2.333 -1.232 -18.525 1.00 0.00 N ATOM 0 H ARG A 83 -2.462 1.985 -14.802 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.098 3.623 -16.950 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.385 2.304 -18.148 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.866 2.726 -16.528 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.356 0.561 -16.230 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.077 0.233 -16.181 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.014 -0.839 -18.155 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.208 0.508 -18.934 1.00 0.00 H new ATOM 0 HE ARG A 83 0.038 -1.923 -17.866 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.573 1.447 -18.844 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.297 1.200 -19.140 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.248 -2.212 -18.256 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.238 -0.858 -18.810 1.00 0.00 H new ATOM 1335 N SER A 84 -4.434 0.631 -17.195 1.00 0.00 N ATOM 1336 CA SER A 84 -5.408 -0.165 -17.942 1.00 0.00 C ATOM 1337 C SER A 84 -6.826 0.398 -17.781 1.00 0.00 C ATOM 1338 O SER A 84 -7.625 0.356 -18.718 1.00 0.00 O ATOM 1339 CB SER A 84 -5.371 -1.626 -17.480 1.00 0.00 C ATOM 1340 OG SER A 84 -6.196 -2.442 -18.294 1.00 0.00 O ATOM 0 H SER A 84 -4.114 0.198 -16.329 1.00 0.00 H new ATOM 0 HA SER A 84 -5.138 -0.117 -18.997 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.346 -1.994 -17.512 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.701 -1.691 -16.443 1.00 0.00 H new ATOM 0 HG SER A 84 -6.153 -3.369 -17.978 1.00 0.00 H new ATOM 1346 N GLY A 85 -7.128 0.927 -16.588 1.00 0.00 N ATOM 1347 CA GLY A 85 -8.438 1.492 -16.324 1.00 0.00 C ATOM 1348 C GLY A 85 -9.127 0.853 -15.129 1.00 0.00 C ATOM 1349 O GLY A 85 -8.468 0.453 -14.169 1.00 0.00 O ATOM 0 H GLY A 85 -6.481 0.971 -15.801 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.338 2.563 -16.149 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.065 1.370 -17.207 1.00 0.00 H new ATOM 1353 N GLN A 86 -10.459 0.745 -15.199 1.00 0.00 N ATOM 1354 CA GLN A 86 -11.268 0.140 -14.138 1.00 0.00 C ATOM 1355 C GLN A 86 -10.944 0.711 -12.753 1.00 0.00 C ATOM 1356 O GLN A 86 -9.902 0.407 -12.173 1.00 0.00 O ATOM 1357 CB GLN A 86 -11.074 -1.379 -14.145 1.00 0.00 C ATOM 1358 CG GLN A 86 -12.372 -2.158 -14.291 1.00 0.00 C ATOM 1359 CD GLN A 86 -12.357 -3.477 -13.536 1.00 0.00 C ATOM 1360 OE1 GLN A 86 -12.803 -3.554 -12.392 1.00 0.00 O ATOM 1361 NE2 GLN A 86 -11.843 -4.524 -14.174 1.00 0.00 N ATOM 0 H GLN A 86 -11.005 1.075 -15.994 1.00 0.00 H new ATOM 0 HA GLN A 86 -12.311 0.382 -14.343 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -10.405 -1.648 -14.962 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.583 -1.678 -13.219 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -13.199 -1.547 -13.929 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.557 -2.352 -15.348 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -11.484 -4.417 -15.123 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.808 -5.434 -13.715 1.00 0.00 H new ATOM 1370 N SER A 87 -11.859 1.524 -12.219 1.00 0.00 N ATOM 1371 CA SER A 87 -11.680 2.115 -10.894 1.00 0.00 C ATOM 1372 C SER A 87 -11.908 1.058 -9.814 1.00 0.00 C ATOM 1373 O SER A 87 -12.963 0.421 -9.777 1.00 0.00 O ATOM 1374 CB SER A 87 -12.639 3.293 -10.692 1.00 0.00 C ATOM 1375 OG SER A 87 -12.114 4.227 -9.765 1.00 0.00 O ATOM 0 H SER A 87 -12.728 1.786 -12.684 1.00 0.00 H new ATOM 0 HA SER A 87 -10.659 2.487 -10.817 1.00 0.00 H new ATOM 0 HB2 SER A 87 -12.819 3.786 -11.647 1.00 0.00 H new ATOM 0 HB3 SER A 87 -13.601 2.925 -10.336 1.00 0.00 H new ATOM 0 HG SER A 87 -12.745 4.969 -9.656 1.00 0.00 H new ATOM 1381 N VAL A 88 -10.911 0.860 -8.950 1.00 0.00 N ATOM 1382 CA VAL A 88 -11.004 -0.137 -7.889 1.00 0.00 C ATOM 1383 C VAL A 88 -11.100 0.505 -6.506 1.00 0.00 C ATOM 1384 O VAL A 88 -10.125 1.061 -5.995 1.00 0.00 O ATOM 1385 CB VAL A 88 -9.806 -1.116 -7.913 1.00 0.00 C ATOM 1386 CG1 VAL A 88 -10.178 -2.443 -7.264 1.00 0.00 C ATOM 1387 CG2 VAL A 88 -9.319 -1.339 -9.337 1.00 0.00 C ATOM 0 H VAL A 88 -10.032 1.377 -8.966 1.00 0.00 H new ATOM 0 HA VAL A 88 -11.921 -0.694 -8.081 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.995 -0.669 -7.339 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -9.320 -3.115 -7.293 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.471 -2.272 -6.228 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.010 -2.893 -7.806 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.476 -2.031 -9.329 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -10.127 -1.758 -9.936 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.004 -0.388 -9.767 1.00 0.00 H new ATOM 1397 N PRO A 89 -12.287 0.416 -5.877 1.00 0.00 N ATOM 1398 CA PRO A 89 -12.527 0.967 -4.539 1.00 0.00 C ATOM 1399 C PRO A 89 -11.773 0.197 -3.451 1.00 0.00 C ATOM 1400 O PRO A 89 -11.163 -0.838 -3.727 1.00 0.00 O ATOM 1401 CB PRO A 89 -14.041 0.807 -4.359 1.00 0.00 C ATOM 1402 CG PRO A 89 -14.416 -0.313 -5.265 1.00 0.00 C ATOM 1403 CD PRO A 89 -13.484 -0.242 -6.427 1.00 0.00 C ATOM 0 HA PRO A 89 -12.180 1.996 -4.451 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -14.294 0.580 -3.323 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -14.570 1.723 -4.623 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -14.328 -1.272 -4.754 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -15.452 -0.219 -5.591 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -13.253 -1.234 -6.815 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -13.913 0.330 -7.250 1.00 0.00 H new ATOM 1411 N GLU A 90 -11.823 0.707 -2.214 1.00 0.00 N ATOM 1412 CA GLU A 90 -11.151 0.069 -1.074 1.00 0.00 C ATOM 1413 C GLU A 90 -9.631 0.038 -1.260 1.00 0.00 C ATOM 1414 O GLU A 90 -9.121 0.287 -2.354 1.00 0.00 O ATOM 1415 CB GLU A 90 -11.683 -1.349 -0.856 1.00 0.00 C ATOM 1416 CG GLU A 90 -13.203 -1.445 -0.816 1.00 0.00 C ATOM 1417 CD GLU A 90 -13.701 -2.878 -0.762 1.00 0.00 C ATOM 1418 OE1 GLU A 90 -13.422 -3.640 -1.712 1.00 0.00 O ATOM 1419 OE2 GLU A 90 -14.371 -3.237 0.229 1.00 0.00 O ATOM 0 H GLU A 90 -12.324 1.563 -1.976 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.370 0.669 -0.191 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -11.310 -1.992 -1.653 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -11.281 -1.736 0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -13.574 -0.903 0.054 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.617 -0.954 -1.697 1.00 0.00 H new ATOM 1426 N HIS A 91 -8.914 -0.272 -0.178 1.00 0.00 N ATOM 1427 CA HIS A 91 -7.451 -0.341 -0.204 1.00 0.00 C ATOM 1428 C HIS A 91 -6.951 -1.743 0.138 1.00 0.00 C ATOM 1429 O HIS A 91 -5.744 -1.951 0.253 1.00 0.00 O ATOM 1430 CB HIS A 91 -6.856 0.681 0.772 1.00 0.00 C ATOM 1431 CG HIS A 91 -7.029 2.104 0.333 1.00 0.00 C ATOM 1432 ND1 HIS A 91 -6.064 2.800 -0.365 1.00 0.00 N ATOM 1433 CD2 HIS A 91 -8.064 2.963 0.498 1.00 0.00 C ATOM 1434 CE1 HIS A 91 -6.498 4.024 -0.609 1.00 0.00 C ATOM 1435 NE2 HIS A 91 -7.708 4.148 -0.097 1.00 0.00 N ATOM 0 H HIS A 91 -9.325 -0.480 0.732 1.00 0.00 H new ATOM 0 HA HIS A 91 -7.124 -0.105 -1.217 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -7.322 0.552 1.749 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.793 0.475 0.897 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.995 2.754 1.003 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -5.954 4.793 -1.138 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.285 4.988 -0.137 1.00 0.00 H new ATOM 1444 N ASP A 92 -7.874 -2.706 0.288 1.00 0.00 N ATOM 1445 CA ASP A 92 -7.503 -4.086 0.608 1.00 0.00 C ATOM 1446 C ASP A 92 -6.624 -4.120 1.860 1.00 0.00 C ATOM 1447 O ASP A 92 -7.123 -4.224 2.977 1.00 0.00 O ATOM 1448 CB ASP A 92 -6.764 -4.713 -0.578 1.00 0.00 C ATOM 1449 CG ASP A 92 -7.679 -5.003 -1.753 1.00 0.00 C ATOM 1450 OD1 ASP A 92 -8.234 -6.120 -1.812 1.00 0.00 O ATOM 1451 OD2 ASP A 92 -7.840 -4.112 -2.614 1.00 0.00 O ATOM 0 H ASP A 92 -8.878 -2.552 0.193 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.408 -4.661 0.805 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.968 -4.042 -0.900 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.289 -5.640 -0.256 1.00 0.00 H new ATOM 1456 N VAL A 93 -5.314 -4.008 1.642 1.00 0.00 N ATOM 1457 CA VAL A 93 -4.320 -3.989 2.702 1.00 0.00 C ATOM 1458 C VAL A 93 -3.063 -3.277 2.184 1.00 0.00 C ATOM 1459 O VAL A 93 -1.950 -3.522 2.652 1.00 0.00 O ATOM 1460 CB VAL A 93 -3.949 -5.418 3.161 1.00 0.00 C ATOM 1461 CG1 VAL A 93 -2.864 -5.380 4.231 1.00 0.00 C ATOM 1462 CG2 VAL A 93 -5.175 -6.172 3.668 1.00 0.00 C ATOM 0 H VAL A 93 -4.913 -3.927 0.708 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.738 -3.462 3.560 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.559 -5.953 2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.620 -6.397 4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.973 -4.899 3.828 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.222 -4.817 5.093 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.882 -7.173 3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.607 -5.637 4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.913 -6.245 2.869 1.00 0.00 H new ATOM 1472 N ALA A 94 -3.255 -2.396 1.198 1.00 0.00 N ATOM 1473 CA ALA A 94 -2.148 -1.661 0.601 1.00 0.00 C ATOM 1474 C ALA A 94 -1.637 -0.573 1.534 1.00 0.00 C ATOM 1475 O ALA A 94 -0.431 -0.332 1.622 1.00 0.00 O ATOM 1476 CB ALA A 94 -2.565 -1.064 -0.737 1.00 0.00 C ATOM 0 H ALA A 94 -4.168 -2.178 0.800 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.333 -2.365 0.432 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -1.726 -0.518 -1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -2.865 -1.863 -1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.402 -0.382 -0.586 1.00 0.00 H new ATOM 1482 N ALA A 95 -2.563 0.078 2.230 1.00 0.00 N ATOM 1483 CA ALA A 95 -2.213 1.145 3.167 1.00 0.00 C ATOM 1484 C ALA A 95 -3.415 1.540 4.017 1.00 0.00 C ATOM 1485 O ALA A 95 -4.266 2.313 3.572 1.00 0.00 O ATOM 1486 CB ALA A 95 -1.671 2.357 2.416 1.00 0.00 C ATOM 0 H ALA A 95 -3.563 -0.113 2.164 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.435 0.770 3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.415 3.142 3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.780 2.070 1.857 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.429 2.726 1.726 1.00 0.00 H new ATOM 1492 N ALA A 96 -3.488 0.994 5.238 1.00 0.00 N ATOM 1493 CA ALA A 96 -4.600 1.279 6.144 1.00 0.00 C ATOM 1494 C ALA A 96 -5.928 1.172 5.395 1.00 0.00 C ATOM 1495 O ALA A 96 -6.503 2.179 4.978 1.00 0.00 O ATOM 1496 CB ALA A 96 -4.439 2.655 6.771 1.00 0.00 C ATOM 0 H ALA A 96 -2.790 0.354 5.617 1.00 0.00 H new ATOM 0 HA ALA A 96 -4.597 0.542 6.947 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.276 2.849 7.442 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -3.506 2.691 7.334 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.419 3.412 5.987 1.00 0.00 H new ATOM 1502 N PRO A 97 -6.412 -0.064 5.186 1.00 0.00 N ATOM 1503 CA PRO A 97 -7.653 -0.314 4.450 1.00 0.00 C ATOM 1504 C PRO A 97 -8.909 -0.116 5.302 1.00 0.00 C ATOM 1505 O PRO A 97 -9.003 -0.630 6.419 1.00 0.00 O ATOM 1506 CB PRO A 97 -7.480 -1.774 4.034 1.00 0.00 C ATOM 1507 CG PRO A 97 -6.736 -2.383 5.168 1.00 0.00 C ATOM 1508 CD PRO A 97 -5.772 -1.325 5.627 1.00 0.00 C ATOM 0 HA PRO A 97 -7.801 0.377 3.620 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -8.442 -2.262 3.879 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.925 -1.860 3.100 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -7.413 -2.673 5.972 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -6.210 -3.284 4.854 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -5.634 -1.349 6.708 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.788 -1.455 5.177 1.00 0.00 H new ATOM 1516 N SER A 98 -9.871 0.637 4.760 1.00 0.00 N ATOM 1517 CA SER A 98 -11.128 0.916 5.457 1.00 0.00 C ATOM 1518 C SER A 98 -12.097 -0.265 5.349 1.00 0.00 C ATOM 1519 O SER A 98 -12.917 -0.483 6.243 1.00 0.00 O ATOM 1520 CB SER A 98 -11.782 2.182 4.891 1.00 0.00 C ATOM 1521 OG SER A 98 -12.025 2.056 3.501 1.00 0.00 O ATOM 0 H SER A 98 -9.801 1.065 3.837 1.00 0.00 H new ATOM 0 HA SER A 98 -10.897 1.073 6.511 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.721 2.373 5.411 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.136 3.041 5.073 1.00 0.00 H new ATOM 0 HG SER A 98 -12.444 2.876 3.166 1.00 0.00 H new ATOM 1527 N SER A 99 -11.998 -1.023 4.251 1.00 0.00 N ATOM 1528 CA SER A 99 -12.865 -2.185 4.028 1.00 0.00 C ATOM 1529 C SER A 99 -12.761 -3.199 5.172 1.00 0.00 C ATOM 1530 O SER A 99 -13.708 -3.941 5.437 1.00 0.00 O ATOM 1531 CB SER A 99 -12.514 -2.862 2.699 1.00 0.00 C ATOM 1532 OG SER A 99 -11.165 -3.301 2.688 1.00 0.00 O ATOM 0 H SER A 99 -11.326 -0.852 3.503 1.00 0.00 H new ATOM 0 HA SER A 99 -13.893 -1.824 3.992 1.00 0.00 H new ATOM 0 HB2 SER A 99 -13.177 -3.711 2.534 1.00 0.00 H new ATOM 0 HB3 SER A 99 -12.679 -2.165 1.878 1.00 0.00 H new ATOM 0 HG SER A 99 -10.968 -3.731 1.830 1.00 0.00 H new ATOM 1538 N SER A 100 -11.603 -3.225 5.847 1.00 0.00 N ATOM 1539 CA SER A 100 -11.362 -4.141 6.966 1.00 0.00 C ATOM 1540 C SER A 100 -11.312 -5.595 6.492 1.00 0.00 C ATOM 1541 O SER A 100 -12.147 -6.417 6.877 1.00 0.00 O ATOM 1542 CB SER A 100 -12.432 -3.969 8.054 1.00 0.00 C ATOM 1543 OG SER A 100 -12.601 -2.603 8.395 1.00 0.00 O ATOM 0 H SER A 100 -10.814 -2.616 5.633 1.00 0.00 H new ATOM 0 HA SER A 100 -10.391 -3.891 7.393 1.00 0.00 H new ATOM 0 HB2 SER A 100 -13.379 -4.379 7.704 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.147 -4.535 8.941 1.00 0.00 H new ATOM 0 HG SER A 100 -12.843 -2.093 7.594 1.00 0.00 H new ATOM 1549 N ALA A 101 -10.321 -5.903 5.653 1.00 0.00 N ATOM 1550 CA ALA A 101 -10.145 -7.254 5.122 1.00 0.00 C ATOM 1551 C ALA A 101 -8.663 -7.638 5.077 1.00 0.00 C ATOM 1552 O ALA A 101 -8.082 -7.770 3.997 1.00 0.00 O ATOM 1553 CB ALA A 101 -10.770 -7.359 3.735 1.00 0.00 C ATOM 0 H ALA A 101 -9.626 -5.231 5.326 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.651 -7.953 5.788 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -10.633 -8.369 3.350 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -11.835 -7.136 3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.289 -6.647 3.064 1.00 0.00 H new ATOM 1559 N PRO A 102 -8.024 -7.816 6.257 1.00 0.00 N ATOM 1560 CA PRO A 102 -6.600 -8.182 6.347 1.00 0.00 C ATOM 1561 C PRO A 102 -6.251 -9.414 5.507 1.00 0.00 C ATOM 1562 O PRO A 102 -5.294 -9.397 4.733 1.00 0.00 O ATOM 1563 CB PRO A 102 -6.405 -8.471 7.837 1.00 0.00 C ATOM 1564 CG PRO A 102 -7.434 -7.635 8.504 1.00 0.00 C ATOM 1565 CD PRO A 102 -8.631 -7.671 7.596 1.00 0.00 C ATOM 0 HA PRO A 102 -5.953 -7.394 5.962 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.545 -9.529 8.060 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.400 -8.206 8.167 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -7.678 -8.027 9.491 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.079 -6.614 8.645 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.293 -8.504 7.832 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.225 -6.760 7.674 1.00 0.00 H new ATOM 1573 N GLN A 103 -7.039 -10.482 5.668 1.00 0.00 N ATOM 1574 CA GLN A 103 -6.820 -11.725 4.926 1.00 0.00 C ATOM 1575 C GLN A 103 -8.095 -12.573 4.901 1.00 0.00 C ATOM 1576 O GLN A 103 -8.119 -13.696 5.411 1.00 0.00 O ATOM 1577 CB GLN A 103 -5.654 -12.518 5.541 1.00 0.00 C ATOM 1578 CG GLN A 103 -4.950 -13.438 4.564 1.00 0.00 C ATOM 1579 CD GLN A 103 -5.576 -14.821 4.492 1.00 0.00 C ATOM 1580 OE1 GLN A 103 -6.366 -15.109 3.592 1.00 0.00 O ATOM 1581 NE2 GLN A 103 -5.227 -15.685 5.441 1.00 0.00 N ATOM 0 H GLN A 103 -7.834 -10.509 6.306 1.00 0.00 H new ATOM 0 HA GLN A 103 -6.561 -11.471 3.898 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -4.928 -11.816 5.951 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -6.031 -13.110 6.375 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.966 -12.986 3.572 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -3.904 -13.534 4.854 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -4.569 -15.405 6.168 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -5.617 -16.627 5.441 1.00 0.00 H new ATOM 1590 N GLU A 104 -9.156 -12.026 4.304 1.00 0.00 N ATOM 1591 CA GLU A 104 -10.435 -12.729 4.208 1.00 0.00 C ATOM 1592 C GLU A 104 -10.477 -13.605 2.955 1.00 0.00 C ATOM 1593 O GLU A 104 -10.504 -13.097 1.833 1.00 0.00 O ATOM 1594 CB GLU A 104 -11.598 -11.729 4.189 1.00 0.00 C ATOM 1595 CG GLU A 104 -11.831 -11.033 5.523 1.00 0.00 C ATOM 1596 CD GLU A 104 -13.109 -10.214 5.542 1.00 0.00 C ATOM 1597 OE1 GLU A 104 -13.046 -9.007 5.230 1.00 0.00 O ATOM 1598 OE2 GLU A 104 -14.172 -10.783 5.870 1.00 0.00 O ATOM 0 H GLU A 104 -9.154 -11.098 3.880 1.00 0.00 H new ATOM 0 HA GLU A 104 -10.537 -13.369 5.084 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.405 -10.976 3.425 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.509 -12.251 3.898 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.872 -11.780 6.316 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.984 -10.382 5.741 1.00 0.00 H new ATOM 1605 N SER A 105 -10.478 -14.926 3.156 1.00 0.00 N ATOM 1606 CA SER A 105 -10.514 -15.876 2.044 1.00 0.00 C ATOM 1607 C SER A 105 -11.947 -16.112 1.569 1.00 0.00 C ATOM 1608 O SER A 105 -12.175 -16.082 0.341 1.00 0.00 O ATOM 1609 CB SER A 105 -9.872 -17.205 2.457 1.00 0.00 C ATOM 1610 OG SER A 105 -10.520 -17.756 3.591 1.00 0.00 O ATOM 1611 OXT SER A 105 -12.828 -16.326 2.429 1.00 0.00 O ATOM 0 H SER A 105 -10.454 -15.360 4.079 1.00 0.00 H new ATOM 0 HA SER A 105 -9.946 -15.448 1.218 1.00 0.00 H new ATOM 0 HB2 SER A 105 -9.923 -17.910 1.627 1.00 0.00 H new ATOM 0 HB3 SER A 105 -8.816 -17.049 2.678 1.00 0.00 H new ATOM 0 HG SER A 105 -11.417 -17.370 3.675 1.00 0.00 H new TER 1617 SER A 105