USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 728 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 53 SER OG : rot 180:sc= -0.385 USER MOD Set 1.2: A 65 THR OG1 : rot 56:sc= -0.478 USER MOD Set 2.1: A 37 CYS SG : rot -128:sc= -10.8! USER MOD Set 2.2: A 47 CYS SG : rot -88:sc= -10.1! USER MOD Set 3.1: A 27 GLN :FLIP amide:sc= -0.486! F(o=-3.7,f=-0.94!) USER MOD Set 3.2: A 30 THR OG1 : rot -130:sc= 0 USER MOD Set 3.3: A 32 TYR OH : rot 19:sc= -0.451! USER MOD Single : A 1 ALA N :NH3+ 130:sc= 0.0542 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -2.07! USER MOD Single : A 8 THR OG1 : rot 180:sc= -4.9! USER MOD Single : A 10 SER OG : rot -130:sc= -0.593 USER MOD Single : A 11 SER OG : rot -9:sc= 0.898 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 92:sc= 0.62 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -16.4! C(o=-16!,f=-18!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -7.68! C(o=-7.7!,f=-24!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.953! C(o=-0.95!,f=-5.5!) USER MOD Single : A 62 SER OG : rot 20:sc= 0.662 USER MOD Single : A 64 SER OG : rot -24:sc= 0.365! USER MOD Single : A 66 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 68 THR OG1 : rot 108:sc= -8.16! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN :FLIP amide:sc= -9.15! C(o=-10!,f=-9.1!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.643 13.040 -7.224 1.00 0.00 N ATOM 2 CA ALA A 1 2.010 13.321 -6.833 1.00 0.00 C ATOM 3 C ALA A 1 2.392 12.458 -5.639 1.00 0.00 C ATOM 4 O ALA A 1 1.556 12.173 -4.784 1.00 0.00 O ATOM 5 CB ALA A 1 2.147 14.803 -6.495 1.00 0.00 C ATOM 0 H1 ALA A 1 0.118 13.933 -7.316 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.639 12.540 -8.136 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.190 12.445 -6.501 1.00 0.00 H new ATOM 0 HA ALA A 1 2.684 13.086 -7.657 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.175 15.016 -6.201 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.889 15.401 -7.369 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.475 15.052 -5.673 1.00 0.00 H new ATOM 11 N ALA A 2 3.659 12.041 -5.582 1.00 0.00 N ATOM 12 CA ALA A 2 4.143 11.213 -4.496 1.00 0.00 C ATOM 13 C ALA A 2 5.430 11.800 -3.935 1.00 0.00 C ATOM 14 O ALA A 2 6.338 12.143 -4.688 1.00 0.00 O ATOM 15 CB ALA A 2 4.373 9.792 -5.005 1.00 0.00 C ATOM 0 H ALA A 2 4.364 12.269 -6.283 1.00 0.00 H new ATOM 0 HA ALA A 2 3.402 11.183 -3.697 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.737 9.168 -4.189 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.435 9.385 -5.383 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.111 9.808 -5.807 1.00 0.00 H new ATOM 21 N PRO A 3 5.506 11.915 -2.607 1.00 0.00 N ATOM 22 CA PRO A 3 6.650 12.448 -1.898 1.00 0.00 C ATOM 23 C PRO A 3 7.794 11.446 -1.948 1.00 0.00 C ATOM 24 O PRO A 3 7.696 10.422 -2.621 1.00 0.00 O ATOM 25 CB PRO A 3 6.162 12.653 -0.465 1.00 0.00 C ATOM 26 CG PRO A 3 5.105 11.561 -0.309 1.00 0.00 C ATOM 27 CD PRO A 3 4.457 11.521 -1.691 1.00 0.00 C ATOM 0 HA PRO A 3 7.022 13.377 -2.330 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.970 12.540 0.258 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.741 13.648 -0.319 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.550 10.602 -0.042 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.383 11.805 0.470 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.084 10.524 -1.923 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.607 12.201 -1.748 1.00 0.00 H new ATOM 35 N THR A 4 8.882 11.743 -1.233 1.00 0.00 N ATOM 36 CA THR A 4 10.035 10.866 -1.203 1.00 0.00 C ATOM 37 C THR A 4 9.974 9.971 0.026 1.00 0.00 C ATOM 38 O THR A 4 10.193 10.431 1.144 1.00 0.00 O ATOM 39 CB THR A 4 11.310 11.704 -1.198 1.00 0.00 C ATOM 40 OG1 THR A 4 11.658 12.038 -2.523 1.00 0.00 O ATOM 41 CG2 THR A 4 12.443 10.903 -0.562 1.00 0.00 C ATOM 0 H THR A 4 8.980 12.587 -0.669 1.00 0.00 H new ATOM 0 HA THR A 4 10.035 10.231 -2.089 1.00 0.00 H new ATOM 0 HB THR A 4 11.143 12.616 -0.625 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.476 12.578 -2.520 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.354 11.501 -0.558 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.175 10.644 0.462 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.610 9.991 -1.135 1.00 0.00 H new ATOM 49 N ALA A 5 9.674 8.687 -0.184 1.00 0.00 N ATOM 50 CA ALA A 5 9.585 7.734 0.904 1.00 0.00 C ATOM 51 C ALA A 5 10.518 6.562 0.641 1.00 0.00 C ATOM 52 O ALA A 5 10.738 6.186 -0.508 1.00 0.00 O ATOM 53 CB ALA A 5 8.142 7.257 1.044 1.00 0.00 C ATOM 0 H ALA A 5 9.489 8.290 -1.105 1.00 0.00 H new ATOM 0 HA ALA A 5 9.888 8.211 1.836 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.074 6.540 1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.496 8.109 1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.825 6.780 0.116 1.00 0.00 H new ATOM 59 N THR A 6 11.069 5.982 1.710 1.00 0.00 N ATOM 60 CA THR A 6 11.974 4.857 1.585 1.00 0.00 C ATOM 61 C THR A 6 11.245 3.565 1.923 1.00 0.00 C ATOM 62 O THR A 6 10.877 3.339 3.074 1.00 0.00 O ATOM 63 CB THR A 6 13.170 5.062 2.511 1.00 0.00 C ATOM 64 OG1 THR A 6 12.745 5.707 3.691 1.00 0.00 O ATOM 65 CG2 THR A 6 14.216 5.922 1.809 1.00 0.00 C ATOM 0 H THR A 6 10.898 6.280 2.670 1.00 0.00 H new ATOM 0 HA THR A 6 12.333 4.788 0.558 1.00 0.00 H new ATOM 0 HB THR A 6 13.605 4.095 2.762 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.512 5.838 4.287 1.00 0.00 H new ATOM 0 HG21 THR A 6 15.070 6.068 2.470 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.544 5.423 0.897 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.782 6.890 1.557 1.00 0.00 H new ATOM 73 N VAL A 7 11.036 2.715 0.915 1.00 0.00 N ATOM 74 CA VAL A 7 10.354 1.452 1.108 1.00 0.00 C ATOM 75 C VAL A 7 11.355 0.308 1.026 1.00 0.00 C ATOM 76 O VAL A 7 12.338 0.393 0.294 1.00 0.00 O ATOM 77 CB VAL A 7 9.265 1.295 0.050 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.459 0.030 0.332 1.00 0.00 C ATOM 79 CG2 VAL A 7 8.339 2.508 0.091 1.00 0.00 C ATOM 0 H VAL A 7 11.335 2.888 -0.045 1.00 0.00 H new ATOM 0 HA VAL A 7 9.889 1.432 2.094 1.00 0.00 H new ATOM 0 HB VAL A 7 9.724 1.220 -0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.681 -0.082 -0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.120 -0.836 0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.999 0.104 1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.561 2.397 -0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.880 2.582 1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.914 3.412 -0.111 1.00 0.00 H new ATOM 89 N THR A 8 11.102 -0.765 1.779 1.00 0.00 N ATOM 90 CA THR A 8 11.982 -1.916 1.783 1.00 0.00 C ATOM 91 C THR A 8 11.826 -2.693 0.484 1.00 0.00 C ATOM 92 O THR A 8 10.995 -2.348 -0.353 1.00 0.00 O ATOM 93 CB THR A 8 11.657 -2.799 2.984 1.00 0.00 C ATOM 94 OG1 THR A 8 12.856 -3.249 3.574 1.00 0.00 O ATOM 95 CG2 THR A 8 10.835 -4.000 2.525 1.00 0.00 C ATOM 0 H THR A 8 10.291 -0.852 2.392 1.00 0.00 H new ATOM 0 HA THR A 8 13.018 -1.585 1.861 1.00 0.00 H new ATOM 0 HB THR A 8 11.086 -2.225 3.713 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.648 -3.815 4.347 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.603 -4.631 3.383 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.908 -3.653 2.068 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.406 -4.575 1.796 1.00 0.00 H new ATOM 103 N PRO A 9 12.628 -3.747 0.318 1.00 0.00 N ATOM 104 CA PRO A 9 12.620 -4.603 -0.849 1.00 0.00 C ATOM 105 C PRO A 9 11.368 -5.469 -0.838 1.00 0.00 C ATOM 106 O PRO A 9 11.187 -6.291 0.057 1.00 0.00 O ATOM 107 CB PRO A 9 13.878 -5.459 -0.716 1.00 0.00 C ATOM 108 CG PRO A 9 14.059 -5.560 0.798 1.00 0.00 C ATOM 109 CD PRO A 9 13.616 -4.181 1.282 1.00 0.00 C ATOM 0 HA PRO A 9 12.613 -4.044 -1.785 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.751 -6.440 -1.175 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.738 -4.992 -1.196 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.449 -6.355 1.227 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.093 -5.771 1.069 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.193 -4.232 2.285 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.457 -3.489 1.325 1.00 0.00 H new ATOM 117 N SER A 10 10.502 -5.280 -1.837 1.00 0.00 N ATOM 118 CA SER A 10 9.274 -6.043 -1.936 1.00 0.00 C ATOM 119 C SER A 10 9.343 -6.980 -3.133 1.00 0.00 C ATOM 120 O SER A 10 8.405 -7.052 -3.924 1.00 0.00 O ATOM 121 CB SER A 10 8.092 -5.087 -2.065 1.00 0.00 C ATOM 122 OG SER A 10 8.165 -4.414 -3.302 1.00 0.00 O ATOM 0 H SER A 10 10.637 -4.601 -2.586 1.00 0.00 H new ATOM 0 HA SER A 10 9.142 -6.645 -1.037 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.155 -5.639 -1.994 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.101 -4.368 -1.246 1.00 0.00 H new ATOM 0 HG SER A 10 8.064 -3.450 -3.157 1.00 0.00 H new ATOM 128 N SER A 11 10.459 -7.701 -3.265 1.00 0.00 N ATOM 129 CA SER A 11 10.643 -8.630 -4.362 1.00 0.00 C ATOM 130 C SER A 11 11.026 -10.000 -3.820 1.00 0.00 C ATOM 131 O SER A 11 12.149 -10.196 -3.360 1.00 0.00 O ATOM 132 CB SER A 11 11.721 -8.099 -5.302 1.00 0.00 C ATOM 133 OG SER A 11 12.994 -8.399 -4.774 1.00 0.00 O ATOM 0 H SER A 11 11.247 -7.653 -2.619 1.00 0.00 H new ATOM 0 HA SER A 11 9.711 -8.730 -4.919 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.610 -8.547 -6.290 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.612 -7.022 -5.426 1.00 0.00 H new ATOM 0 HG SER A 11 12.897 -8.745 -3.862 1.00 0.00 H new ATOM 139 N GLY A 12 10.090 -10.950 -3.876 1.00 0.00 N ATOM 140 CA GLY A 12 10.339 -12.293 -3.392 1.00 0.00 C ATOM 141 C GLY A 12 9.949 -12.406 -1.925 1.00 0.00 C ATOM 142 O GLY A 12 10.485 -13.240 -1.199 1.00 0.00 O ATOM 0 H GLY A 12 9.154 -10.805 -4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.771 -13.011 -3.983 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.393 -12.542 -3.515 1.00 0.00 H new ATOM 146 N LEU A 13 9.011 -11.561 -1.489 1.00 0.00 N ATOM 147 CA LEU A 13 8.554 -11.569 -0.114 1.00 0.00 C ATOM 148 C LEU A 13 7.261 -12.364 -0.004 1.00 0.00 C ATOM 149 O LEU A 13 6.335 -12.160 -0.785 1.00 0.00 O ATOM 150 CB LEU A 13 8.347 -10.133 0.361 1.00 0.00 C ATOM 151 CG LEU A 13 9.476 -9.255 -0.169 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.777 -8.149 0.839 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.726 -10.105 -0.379 1.00 0.00 C ATOM 0 H LEU A 13 8.557 -10.863 -2.078 1.00 0.00 H new ATOM 0 HA LEU A 13 9.304 -12.043 0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.385 -9.758 0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.326 -10.098 1.450 1.00 0.00 H new ATOM 0 HG LEU A 13 9.175 -8.810 -1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.584 -7.521 0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.885 -7.541 0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.078 -8.593 1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.533 -9.478 -0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.027 -10.550 0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.512 -10.895 -1.099 1.00 0.00 H new ATOM 165 N SER A 14 7.200 -13.275 0.971 1.00 0.00 N ATOM 166 CA SER A 14 6.023 -14.094 1.178 1.00 0.00 C ATOM 167 C SER A 14 5.341 -13.699 2.481 1.00 0.00 C ATOM 168 O SER A 14 5.864 -12.881 3.235 1.00 0.00 O ATOM 169 CB SER A 14 6.426 -15.565 1.203 1.00 0.00 C ATOM 170 OG SER A 14 6.942 -15.932 -0.057 1.00 0.00 O ATOM 0 H SER A 14 7.960 -13.457 1.627 1.00 0.00 H new ATOM 0 HA SER A 14 5.319 -13.938 0.361 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.174 -15.735 1.978 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.564 -16.185 1.450 1.00 0.00 H new ATOM 0 HG SER A 14 7.203 -16.877 -0.041 1.00 0.00 H new ATOM 176 N ASP A 15 4.171 -14.284 2.745 1.00 0.00 N ATOM 177 CA ASP A 15 3.425 -13.991 3.953 1.00 0.00 C ATOM 178 C ASP A 15 4.352 -14.057 5.158 1.00 0.00 C ATOM 179 O ASP A 15 5.258 -14.886 5.202 1.00 0.00 O ATOM 180 CB ASP A 15 2.279 -14.989 4.096 1.00 0.00 C ATOM 181 CG ASP A 15 1.864 -15.133 5.553 1.00 0.00 C ATOM 182 OD1 ASP A 15 1.844 -14.091 6.244 1.00 0.00 O ATOM 183 OD2 ASP A 15 1.573 -16.283 5.949 1.00 0.00 O ATOM 0 H ASP A 15 3.725 -14.965 2.131 1.00 0.00 H new ATOM 0 HA ASP A 15 3.008 -12.986 3.895 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.427 -14.658 3.502 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.585 -15.959 3.703 1.00 0.00 H new ATOM 188 N GLY A 16 4.125 -13.179 6.138 1.00 0.00 N ATOM 189 CA GLY A 16 4.943 -13.146 7.334 1.00 0.00 C ATOM 190 C GLY A 16 5.983 -12.040 7.232 1.00 0.00 C ATOM 191 O GLY A 16 6.477 -11.552 8.246 1.00 0.00 O ATOM 0 H GLY A 16 3.379 -12.484 6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.314 -12.983 8.209 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.437 -14.108 7.471 1.00 0.00 H new ATOM 195 N THR A 17 6.317 -11.644 6.001 1.00 0.00 N ATOM 196 CA THR A 17 7.296 -10.599 5.777 1.00 0.00 C ATOM 197 C THR A 17 6.692 -9.243 6.111 1.00 0.00 C ATOM 198 O THR A 17 5.484 -9.051 5.991 1.00 0.00 O ATOM 199 CB THR A 17 7.759 -10.642 4.323 1.00 0.00 C ATOM 200 OG1 THR A 17 8.394 -11.874 4.068 1.00 0.00 O ATOM 201 CG2 THR A 17 8.741 -9.502 4.069 1.00 0.00 C ATOM 0 H THR A 17 5.918 -12.037 5.149 1.00 0.00 H new ATOM 0 HA THR A 17 8.158 -10.758 6.425 1.00 0.00 H new ATOM 0 HB THR A 17 6.898 -10.534 3.664 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.736 -12.518 3.734 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.072 -9.532 3.031 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.251 -8.549 4.266 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.602 -9.610 4.728 1.00 0.00 H new ATOM 209 N VAL A 18 7.538 -8.299 6.531 1.00 0.00 N ATOM 210 CA VAL A 18 7.087 -6.967 6.879 1.00 0.00 C ATOM 211 C VAL A 18 7.869 -5.934 6.081 1.00 0.00 C ATOM 212 O VAL A 18 9.085 -5.828 6.222 1.00 0.00 O ATOM 213 CB VAL A 18 7.270 -6.745 8.378 1.00 0.00 C ATOM 214 CG1 VAL A 18 8.759 -6.670 8.703 1.00 0.00 C ATOM 215 CG2 VAL A 18 6.594 -5.439 8.784 1.00 0.00 C ATOM 0 H VAL A 18 8.542 -8.443 6.636 1.00 0.00 H new ATOM 0 HA VAL A 18 6.030 -6.861 6.636 1.00 0.00 H new ATOM 0 HB VAL A 18 6.820 -7.573 8.926 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.890 -6.511 9.773 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.242 -7.603 8.412 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.210 -5.842 8.156 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.724 -5.279 9.854 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.044 -4.611 8.236 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.530 -5.492 8.552 1.00 0.00 H new ATOM 225 N VAL A 19 7.166 -5.170 5.241 1.00 0.00 N ATOM 226 CA VAL A 19 7.796 -4.150 4.427 1.00 0.00 C ATOM 227 C VAL A 19 7.950 -2.869 5.234 1.00 0.00 C ATOM 228 O VAL A 19 7.309 -2.705 6.270 1.00 0.00 O ATOM 229 CB VAL A 19 6.952 -3.905 3.179 1.00 0.00 C ATOM 230 CG1 VAL A 19 7.461 -2.660 2.457 1.00 0.00 C ATOM 231 CG2 VAL A 19 7.058 -5.111 2.249 1.00 0.00 C ATOM 0 H VAL A 19 6.157 -5.246 5.113 1.00 0.00 H new ATOM 0 HA VAL A 19 8.787 -4.484 4.120 1.00 0.00 H new ATOM 0 HB VAL A 19 5.911 -3.758 3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.859 -2.485 1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.387 -1.799 3.121 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.502 -2.807 2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.456 -4.937 1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 19 8.099 -5.258 1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.695 -6.001 2.764 1.00 0.00 H new ATOM 241 N LYS A 20 8.803 -1.959 4.757 1.00 0.00 N ATOM 242 CA LYS A 20 9.035 -0.700 5.436 1.00 0.00 C ATOM 243 C LYS A 20 8.761 0.458 4.487 1.00 0.00 C ATOM 244 O LYS A 20 9.213 0.448 3.344 1.00 0.00 O ATOM 245 CB LYS A 20 10.473 -0.655 5.944 1.00 0.00 C ATOM 246 CG LYS A 20 10.654 0.560 6.849 1.00 0.00 C ATOM 247 CD LYS A 20 10.040 0.272 8.217 1.00 0.00 C ATOM 248 CE LYS A 20 11.094 -0.355 9.125 1.00 0.00 C ATOM 249 NZ LYS A 20 10.477 -0.927 10.332 1.00 0.00 N ATOM 0 H LYS A 20 9.342 -2.080 3.899 1.00 0.00 H new ATOM 0 HA LYS A 20 8.360 -0.612 6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.705 -1.568 6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.165 -0.603 5.104 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.714 0.793 6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.179 1.434 6.402 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.664 1.194 8.660 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.189 -0.401 8.111 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.630 -1.134 8.582 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.829 0.398 9.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.214 -1.347 10.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.986 -0.177 10.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.794 -1.662 10.058 1.00 0.00 H new ATOM 263 N VAL A 21 8.018 1.459 4.965 1.00 0.00 N ATOM 264 CA VAL A 21 7.688 2.618 4.160 1.00 0.00 C ATOM 265 C VAL A 21 7.876 3.886 4.982 1.00 0.00 C ATOM 266 O VAL A 21 7.114 4.144 5.911 1.00 0.00 O ATOM 267 CB VAL A 21 6.249 2.501 3.667 1.00 0.00 C ATOM 268 CG1 VAL A 21 6.247 2.141 2.184 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.529 1.411 4.456 1.00 0.00 C ATOM 0 H VAL A 21 7.636 1.482 5.911 1.00 0.00 H new ATOM 0 HA VAL A 21 8.351 2.667 3.296 1.00 0.00 H new ATOM 0 HB VAL A 21 5.737 3.452 3.810 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.219 2.057 1.831 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.762 2.919 1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.759 1.189 2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.501 1.327 4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.041 0.459 4.312 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.530 1.667 5.515 1.00 0.00 H new ATOM 279 N ALA A 22 8.894 4.678 4.636 1.00 0.00 N ATOM 280 CA ALA A 22 9.176 5.912 5.342 1.00 0.00 C ATOM 281 C ALA A 22 9.079 7.088 4.382 1.00 0.00 C ATOM 282 O ALA A 22 9.819 7.155 3.403 1.00 0.00 O ATOM 283 CB ALA A 22 10.567 5.834 5.964 1.00 0.00 C ATOM 0 H ALA A 22 9.534 4.478 3.867 1.00 0.00 H new ATOM 0 HA ALA A 22 8.445 6.057 6.137 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.781 6.761 6.495 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.607 4.998 6.663 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.309 5.687 5.179 1.00 0.00 H new ATOM 289 N GLY A 23 8.164 8.019 4.663 1.00 0.00 N ATOM 290 CA GLY A 23 7.979 9.184 3.821 1.00 0.00 C ATOM 291 C GLY A 23 8.999 10.257 4.175 1.00 0.00 C ATOM 292 O GLY A 23 9.304 10.465 5.347 1.00 0.00 O ATOM 0 H GLY A 23 7.543 7.981 5.471 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.084 8.904 2.773 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.970 9.576 3.947 1.00 0.00 H new ATOM 296 N ALA A 24 9.527 10.940 3.156 1.00 0.00 N ATOM 297 CA ALA A 24 10.509 11.985 3.363 1.00 0.00 C ATOM 298 C ALA A 24 10.193 13.173 2.466 1.00 0.00 C ATOM 299 O ALA A 24 10.365 13.099 1.252 1.00 0.00 O ATOM 300 CB ALA A 24 11.902 11.438 3.067 1.00 0.00 C ATOM 0 H ALA A 24 9.284 10.780 2.178 1.00 0.00 H new ATOM 0 HA ALA A 24 10.478 12.320 4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.642 12.223 3.222 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.114 10.602 3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.947 11.097 2.033 1.00 0.00 H new ATOM 306 N GLY A 25 9.730 14.272 3.067 1.00 0.00 N ATOM 307 CA GLY A 25 9.395 15.465 2.316 1.00 0.00 C ATOM 308 C GLY A 25 7.887 15.570 2.138 1.00 0.00 C ATOM 309 O GLY A 25 7.412 16.209 1.201 1.00 0.00 O ATOM 0 H GLY A 25 9.582 14.352 4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.769 16.347 2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.882 15.438 1.341 1.00 0.00 H new ATOM 313 N LEU A 26 7.132 14.940 3.042 1.00 0.00 N ATOM 314 CA LEU A 26 5.685 14.964 2.981 1.00 0.00 C ATOM 315 C LEU A 26 5.155 16.158 3.763 1.00 0.00 C ATOM 316 O LEU A 26 5.903 17.084 4.069 1.00 0.00 O ATOM 317 CB LEU A 26 5.130 13.660 3.546 1.00 0.00 C ATOM 318 CG LEU A 26 6.133 12.535 3.305 1.00 0.00 C ATOM 319 CD1 LEU A 26 5.386 11.216 3.131 1.00 0.00 C ATOM 320 CD2 LEU A 26 6.939 12.833 2.044 1.00 0.00 C ATOM 0 H LEU A 26 7.510 14.407 3.825 1.00 0.00 H new ATOM 0 HA LEU A 26 5.364 15.061 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.936 13.767 4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.178 13.421 3.071 1.00 0.00 H new ATOM 0 HG LEU A 26 6.807 12.461 4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.102 10.412 2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.810 11.002 4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.711 11.290 2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.655 12.030 1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.265 12.907 1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.473 13.775 2.168 1.00 0.00 H new ATOM 332 N GLN A 27 3.860 16.135 4.086 1.00 0.00 N ATOM 333 CA GLN A 27 3.238 17.213 4.828 1.00 0.00 C ATOM 334 C GLN A 27 3.432 16.991 6.322 1.00 0.00 C ATOM 335 O GLN A 27 3.099 15.928 6.842 1.00 0.00 O ATOM 336 CB GLN A 27 1.754 17.279 4.479 1.00 0.00 C ATOM 337 CG GLN A 27 1.590 17.760 3.041 1.00 0.00 C ATOM 338 CD GLN A 27 1.194 16.610 2.126 1.00 0.00 C ATOM 339 OE1 GLN A 27 0.090 15.935 2.456 1.00 0.00 O flip ATOM 340 NE2 GLN A 27 1.874 16.337 1.139 1.00 0.00 N flip ATOM 0 H GLN A 27 3.227 15.374 3.840 1.00 0.00 H new ATOM 0 HA GLN A 27 3.704 18.161 4.559 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.297 16.297 4.599 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.239 17.956 5.161 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.831 18.541 2.999 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.523 18.203 2.693 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.710 16.883 0.929 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.603 15.565 0.530 1.00 0.00 H new ATOM 349 N ALA A 28 3.971 17.999 7.012 1.00 0.00 N ATOM 350 CA ALA A 28 4.207 17.909 8.438 1.00 0.00 C ATOM 351 C ALA A 28 2.886 18.025 9.187 1.00 0.00 C ATOM 352 O ALA A 28 2.095 18.925 8.916 1.00 0.00 O ATOM 353 CB ALA A 28 5.169 19.013 8.865 1.00 0.00 C ATOM 0 H ALA A 28 4.250 18.887 6.595 1.00 0.00 H new ATOM 0 HA ALA A 28 4.654 16.944 8.676 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.347 18.946 9.938 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.113 18.899 8.333 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.735 19.985 8.629 1.00 0.00 H new ATOM 359 N GLY A 29 2.649 17.111 10.131 1.00 0.00 N ATOM 360 CA GLY A 29 1.427 17.120 10.909 1.00 0.00 C ATOM 361 C GLY A 29 0.269 16.583 10.078 1.00 0.00 C ATOM 362 O GLY A 29 -0.882 16.641 10.503 1.00 0.00 O ATOM 0 H GLY A 29 3.294 16.358 10.369 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.553 16.512 11.805 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.206 18.135 11.241 1.00 0.00 H new ATOM 366 N THR A 30 0.578 16.059 8.890 1.00 0.00 N ATOM 367 CA THR A 30 -0.438 15.515 8.011 1.00 0.00 C ATOM 368 C THR A 30 -0.596 14.023 8.262 1.00 0.00 C ATOM 369 O THR A 30 0.391 13.311 8.433 1.00 0.00 O ATOM 370 CB THR A 30 -0.048 15.781 6.560 1.00 0.00 C ATOM 371 OG1 THR A 30 -0.928 16.733 6.004 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.134 14.482 5.763 1.00 0.00 C ATOM 0 H THR A 30 1.528 16.004 8.522 1.00 0.00 H new ATOM 0 HA THR A 30 -1.394 15.998 8.212 1.00 0.00 H new ATOM 0 HB THR A 30 0.972 16.163 6.522 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.269 16.402 5.147 1.00 0.00 H new ATOM 0 HG21 THR A 30 0.145 14.672 4.726 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.546 13.746 6.192 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.154 14.099 5.800 1.00 0.00 H new ATOM 380 N ALA A 31 -1.845 13.550 8.282 1.00 0.00 N ATOM 381 CA ALA A 31 -2.127 12.147 8.512 1.00 0.00 C ATOM 382 C ALA A 31 -2.120 11.396 7.188 1.00 0.00 C ATOM 383 O ALA A 31 -2.527 11.938 6.163 1.00 0.00 O ATOM 384 CB ALA A 31 -3.480 12.009 9.205 1.00 0.00 C ATOM 0 H ALA A 31 -2.674 14.127 8.140 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.358 11.717 9.154 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.694 10.954 9.379 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.456 12.536 10.159 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.258 12.438 8.573 1.00 0.00 H new ATOM 390 N TYR A 32 -1.655 10.145 7.211 1.00 0.00 N ATOM 391 CA TYR A 32 -1.596 9.331 6.015 1.00 0.00 C ATOM 392 C TYR A 32 -2.151 7.944 6.306 1.00 0.00 C ATOM 393 O TYR A 32 -1.991 7.428 7.410 1.00 0.00 O ATOM 394 CB TYR A 32 -0.151 9.244 5.531 1.00 0.00 C ATOM 395 CG TYR A 32 0.354 10.524 4.909 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.285 11.055 3.782 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.462 11.180 5.459 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.183 12.241 3.205 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.931 12.366 4.882 1.00 0.00 C ATOM 400 CZ TYR A 32 1.291 12.897 3.756 1.00 0.00 C ATOM 401 OH TYR A 32 1.749 14.052 3.194 1.00 0.00 O ATOM 0 H TYR A 32 -1.315 9.680 8.053 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.202 9.786 5.231 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.490 8.980 6.372 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.068 8.438 4.802 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.140 10.549 3.358 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.955 10.771 6.329 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.310 12.650 2.335 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.786 12.871 5.305 1.00 0.00 H new ATOM 0 HH TYR A 32 1.048 14.443 2.632 1.00 0.00 H new ATOM 411 N ASP A 33 -2.806 7.340 5.312 1.00 0.00 N ATOM 412 CA ASP A 33 -3.382 6.019 5.467 1.00 0.00 C ATOM 413 C ASP A 33 -2.607 5.018 4.622 1.00 0.00 C ATOM 414 O ASP A 33 -2.571 5.131 3.399 1.00 0.00 O ATOM 415 CB ASP A 33 -4.850 6.053 5.054 1.00 0.00 C ATOM 416 CG ASP A 33 -5.750 6.278 6.261 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.802 7.440 6.721 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.368 5.285 6.701 1.00 0.00 O ATOM 0 H ASP A 33 -2.947 7.754 4.390 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.320 5.710 6.510 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.008 6.847 4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.116 5.115 4.567 1.00 0.00 H new ATOM 423 N VAL A 34 -1.985 4.035 5.279 1.00 0.00 N ATOM 424 CA VAL A 34 -1.215 3.021 4.587 1.00 0.00 C ATOM 425 C VAL A 34 -2.010 1.725 4.523 1.00 0.00 C ATOM 426 O VAL A 34 -2.753 1.404 5.448 1.00 0.00 O ATOM 427 CB VAL A 34 0.110 2.807 5.312 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.218 2.571 4.289 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.441 4.044 6.143 1.00 0.00 C ATOM 0 H VAL A 34 -2.005 3.928 6.293 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.008 3.348 3.568 1.00 0.00 H new ATOM 0 HB VAL A 34 0.029 1.940 5.967 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.165 2.418 4.807 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.983 1.688 3.695 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.299 3.438 3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.388 3.892 6.661 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.521 4.912 5.488 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.350 4.213 6.874 1.00 0.00 H new ATOM 439 N GLY A 35 -1.854 0.978 3.427 1.00 0.00 N ATOM 440 CA GLY A 35 -2.559 -0.276 3.254 1.00 0.00 C ATOM 441 C GLY A 35 -1.968 -1.057 2.089 1.00 0.00 C ATOM 442 O GLY A 35 -1.131 -0.539 1.352 1.00 0.00 O ATOM 0 H GLY A 35 -1.243 1.228 2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.494 -0.867 4.168 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.617 -0.085 3.073 1.00 0.00 H new ATOM 446 N GLN A 36 -2.405 -2.307 1.924 1.00 0.00 N ATOM 447 CA GLN A 36 -1.918 -3.152 0.852 1.00 0.00 C ATOM 448 C GLN A 36 -3.067 -3.532 -0.070 1.00 0.00 C ATOM 449 O GLN A 36 -3.964 -4.274 0.326 1.00 0.00 O ATOM 450 CB GLN A 36 -1.266 -4.398 1.446 1.00 0.00 C ATOM 451 CG GLN A 36 -1.174 -5.483 0.377 1.00 0.00 C ATOM 452 CD GLN A 36 -0.602 -6.769 0.956 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.318 -7.536 1.595 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.694 -7.001 0.733 1.00 0.00 N ATOM 0 H GLN A 36 -3.098 -2.751 2.526 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.174 -2.611 0.267 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.271 -4.157 1.821 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.849 -4.757 2.294 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.163 -5.675 -0.038 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.545 -5.138 -0.444 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.247 -6.333 0.196 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.131 -7.846 1.100 1.00 0.00 H new ATOM 463 N CYS A 37 -3.039 -3.022 -1.303 1.00 0.00 N ATOM 464 CA CYS A 37 -4.076 -3.309 -2.274 1.00 0.00 C ATOM 465 C CYS A 37 -3.553 -4.298 -3.307 1.00 0.00 C ATOM 466 O CYS A 37 -2.367 -4.620 -3.316 1.00 0.00 O ATOM 467 CB CYS A 37 -4.519 -2.011 -2.944 1.00 0.00 C ATOM 468 SG CYS A 37 -5.297 -0.830 -1.815 1.00 0.00 S ATOM 0 H CYS A 37 -2.302 -2.406 -1.646 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.936 -3.755 -1.774 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.653 -1.539 -3.407 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.219 -2.248 -3.745 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.442 -0.453 -2.302 1.00 0.00 H new ATOM 473 N ALA A 38 -4.443 -4.780 -4.178 1.00 0.00 N ATOM 474 CA ALA A 38 -4.069 -5.729 -5.207 1.00 0.00 C ATOM 475 C ALA A 38 -5.042 -5.634 -6.373 1.00 0.00 C ATOM 476 O ALA A 38 -6.248 -5.519 -6.170 1.00 0.00 O ATOM 477 CB ALA A 38 -4.062 -7.137 -4.621 1.00 0.00 C ATOM 0 H ALA A 38 -5.430 -4.522 -4.183 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.069 -5.499 -5.574 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.781 -7.852 -5.395 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.344 -7.187 -3.802 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.056 -7.380 -4.247 1.00 0.00 H new ATOM 483 N TRP A 39 -4.515 -5.684 -7.599 1.00 0.00 N ATOM 484 CA TRP A 39 -5.342 -5.605 -8.787 1.00 0.00 C ATOM 485 C TRP A 39 -6.255 -6.820 -8.864 1.00 0.00 C ATOM 486 O TRP A 39 -5.790 -7.955 -8.788 1.00 0.00 O ATOM 487 CB TRP A 39 -4.450 -5.519 -10.022 1.00 0.00 C ATOM 488 CG TRP A 39 -5.035 -6.112 -11.263 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.345 -6.096 -11.594 1.00 0.00 C ATOM 490 CD2 TRP A 39 -4.358 -6.814 -12.351 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.524 -6.734 -12.803 1.00 0.00 N ATOM 492 CE2 TRP A 39 -5.329 -7.197 -13.315 1.00 0.00 C ATOM 493 CE3 TRP A 39 -3.024 -7.165 -12.620 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.996 -7.890 -14.482 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.678 -7.860 -13.788 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.659 -8.224 -14.719 1.00 0.00 C ATOM 0 H TRP A 39 -3.517 -5.779 -7.786 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.965 -4.711 -8.742 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.217 -4.471 -10.212 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.507 -6.021 -9.807 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.131 -5.651 -11.002 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.428 -6.849 -13.262 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -2.252 -6.895 -11.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.762 -8.164 -15.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.645 -8.117 -13.971 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -3.384 -8.760 -15.615 1.00 0.00 H new ATOM 507 N VAL A 40 -7.560 -6.579 -9.016 1.00 0.00 N ATOM 508 CA VAL A 40 -8.531 -7.651 -9.103 1.00 0.00 C ATOM 509 C VAL A 40 -9.053 -7.758 -10.528 1.00 0.00 C ATOM 510 O VAL A 40 -9.041 -8.838 -11.116 1.00 0.00 O ATOM 511 CB VAL A 40 -9.673 -7.382 -8.127 1.00 0.00 C ATOM 512 CG1 VAL A 40 -11.007 -7.529 -8.852 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.606 -8.384 -6.977 1.00 0.00 C ATOM 0 H VAL A 40 -7.961 -5.643 -9.081 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.060 -8.597 -8.838 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.583 -6.370 -7.733 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.823 -7.337 -8.155 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.055 -6.814 -9.673 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.097 -8.541 -9.246 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.421 -8.192 -6.280 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.696 -9.396 -7.371 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.653 -8.280 -6.458 1.00 0.00 H new ATOM 523 N ASP A 41 -9.511 -6.635 -11.084 1.00 0.00 N ATOM 524 CA ASP A 41 -10.035 -6.609 -12.435 1.00 0.00 C ATOM 525 C ASP A 41 -9.638 -5.307 -13.116 1.00 0.00 C ATOM 526 O ASP A 41 -9.213 -4.363 -12.454 1.00 0.00 O ATOM 527 CB ASP A 41 -11.553 -6.757 -12.394 1.00 0.00 C ATOM 528 CG ASP A 41 -12.007 -7.939 -13.239 1.00 0.00 C ATOM 529 OD1 ASP A 41 -11.260 -8.284 -14.180 1.00 0.00 O ATOM 530 OD2 ASP A 41 -13.092 -8.475 -12.928 1.00 0.00 O ATOM 0 H ASP A 41 -9.526 -5.732 -10.610 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.618 -7.438 -13.007 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.881 -6.894 -11.364 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.021 -5.843 -12.759 1.00 0.00 H new ATOM 535 N THR A 42 -9.776 -5.258 -14.443 1.00 0.00 N ATOM 536 CA THR A 42 -9.431 -4.072 -15.201 1.00 0.00 C ATOM 537 C THR A 42 -10.113 -2.853 -14.596 1.00 0.00 C ATOM 538 O THR A 42 -11.335 -2.731 -14.650 1.00 0.00 O ATOM 539 CB THR A 42 -9.851 -4.259 -16.656 1.00 0.00 C ATOM 540 OG1 THR A 42 -9.492 -3.116 -17.399 1.00 0.00 O ATOM 541 CG2 THR A 42 -11.362 -4.460 -16.728 1.00 0.00 C ATOM 0 H THR A 42 -10.126 -6.032 -15.008 1.00 0.00 H new ATOM 0 HA THR A 42 -8.353 -3.915 -15.164 1.00 0.00 H new ATOM 0 HB THR A 42 -9.349 -5.134 -17.070 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.760 -3.236 -18.334 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.662 -4.594 -17.767 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.639 -5.344 -16.154 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.865 -3.586 -16.314 1.00 0.00 H new ATOM 549 N GLY A 43 -9.320 -1.948 -14.018 1.00 0.00 N ATOM 550 CA GLY A 43 -9.854 -0.747 -13.408 1.00 0.00 C ATOM 551 C GLY A 43 -10.551 -1.086 -12.098 1.00 0.00 C ATOM 552 O GLY A 43 -11.216 -0.237 -11.508 1.00 0.00 O ATOM 0 H GLY A 43 -8.305 -2.032 -13.964 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.049 -0.035 -13.226 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.557 -0.267 -14.089 1.00 0.00 H new ATOM 556 N VAL A 44 -10.398 -2.332 -11.644 1.00 0.00 N ATOM 557 CA VAL A 44 -11.012 -2.778 -10.410 1.00 0.00 C ATOM 558 C VAL A 44 -9.966 -3.439 -9.524 1.00 0.00 C ATOM 559 O VAL A 44 -9.430 -4.489 -9.872 1.00 0.00 O ATOM 560 CB VAL A 44 -12.145 -3.749 -10.728 1.00 0.00 C ATOM 561 CG1 VAL A 44 -13.026 -3.925 -9.494 1.00 0.00 C ATOM 562 CG2 VAL A 44 -12.983 -3.195 -11.876 1.00 0.00 C ATOM 0 H VAL A 44 -9.849 -3.047 -12.122 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.425 -1.923 -9.874 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.726 -4.713 -11.016 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.836 -4.619 -9.721 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -12.428 -4.321 -8.673 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -13.445 -2.961 -9.205 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.792 -3.889 -12.103 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -13.402 -2.231 -11.588 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.355 -3.069 -12.758 1.00 0.00 H new ATOM 572 N LEU A 45 -9.677 -2.823 -8.376 1.00 0.00 N ATOM 573 CA LEU A 45 -8.699 -3.354 -7.447 1.00 0.00 C ATOM 574 C LEU A 45 -9.370 -3.677 -6.119 1.00 0.00 C ATOM 575 O LEU A 45 -10.470 -3.202 -5.845 1.00 0.00 O ATOM 576 CB LEU A 45 -7.578 -2.337 -7.254 1.00 0.00 C ATOM 577 CG LEU A 45 -7.993 -1.319 -6.195 1.00 0.00 C ATOM 578 CD1 LEU A 45 -7.853 -1.940 -4.809 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.095 -0.088 -6.295 1.00 0.00 C ATOM 0 H LEU A 45 -10.113 -1.952 -8.074 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.272 -4.273 -7.848 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.662 -2.843 -6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.364 -1.832 -8.196 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.030 -1.027 -6.358 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.149 -1.213 -4.053 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.493 -2.819 -4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.816 -2.232 -4.644 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.390 0.640 -5.539 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.058 -0.380 -6.132 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.195 0.356 -7.285 1.00 0.00 H new ATOM 591 N ALA A 46 -8.702 -4.487 -5.294 1.00 0.00 N ATOM 592 CA ALA A 46 -9.235 -4.869 -4.002 1.00 0.00 C ATOM 593 C ALA A 46 -8.247 -4.497 -2.906 1.00 0.00 C ATOM 594 O ALA A 46 -7.042 -4.679 -3.066 1.00 0.00 O ATOM 595 CB ALA A 46 -9.515 -6.369 -3.992 1.00 0.00 C ATOM 0 H ALA A 46 -7.788 -4.888 -5.507 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.168 -4.337 -3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.916 -6.658 -3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.240 -6.609 -4.770 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.589 -6.913 -4.179 1.00 0.00 H new ATOM 601 N CYS A 47 -8.759 -3.973 -1.790 1.00 0.00 N ATOM 602 CA CYS A 47 -7.922 -3.579 -0.675 1.00 0.00 C ATOM 603 C CYS A 47 -8.131 -4.536 0.489 1.00 0.00 C ATOM 604 O CYS A 47 -9.223 -5.070 0.668 1.00 0.00 O ATOM 605 CB CYS A 47 -8.261 -2.148 -0.267 1.00 0.00 C ATOM 606 SG CYS A 47 -7.635 -0.889 -1.407 1.00 0.00 S ATOM 0 H CYS A 47 -9.756 -3.815 -1.643 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.873 -3.620 -0.969 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.344 -2.049 -0.192 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.854 -1.958 0.726 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.426 -0.557 -1.065 1.00 0.00 H new ATOM 611 N ASN A 48 -7.079 -4.752 1.283 1.00 0.00 N ATOM 612 CA ASN A 48 -7.154 -5.643 2.424 1.00 0.00 C ATOM 613 C ASN A 48 -7.162 -4.834 3.713 1.00 0.00 C ATOM 614 O ASN A 48 -6.137 -4.283 4.109 1.00 0.00 O ATOM 615 CB ASN A 48 -5.970 -6.604 2.395 1.00 0.00 C ATOM 616 CG ASN A 48 -5.920 -7.442 3.665 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.842 -7.398 4.476 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.841 -8.210 3.834 1.00 0.00 N ATOM 0 H ASN A 48 -6.166 -4.317 1.149 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.077 -6.222 2.378 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.048 -7.257 1.526 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.042 -6.042 2.289 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.756 -8.795 4.666 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.101 -8.212 3.132 1.00 0.00 H new ATOM 625 N PRO A 49 -8.322 -4.766 4.369 1.00 0.00 N ATOM 626 CA PRO A 49 -8.517 -4.046 5.609 1.00 0.00 C ATOM 627 C PRO A 49 -7.838 -4.796 6.746 1.00 0.00 C ATOM 628 O PRO A 49 -7.886 -4.362 7.895 1.00 0.00 O ATOM 629 CB PRO A 49 -10.031 -4.008 5.806 1.00 0.00 C ATOM 630 CG PRO A 49 -10.493 -5.296 5.125 1.00 0.00 C ATOM 631 CD PRO A 49 -9.546 -5.402 3.932 1.00 0.00 C ATOM 0 HA PRO A 49 -8.091 -3.043 5.589 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -10.301 -3.989 6.862 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.477 -3.125 5.347 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.408 -6.157 5.787 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.535 -5.237 4.811 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.374 -6.442 3.656 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.959 -4.904 3.055 1.00 0.00 H new ATOM 639 N ALA A 50 -7.205 -5.926 6.424 1.00 0.00 N ATOM 640 CA ALA A 50 -6.523 -6.731 7.418 1.00 0.00 C ATOM 641 C ALA A 50 -5.082 -6.261 7.561 1.00 0.00 C ATOM 642 O ALA A 50 -4.375 -6.689 8.470 1.00 0.00 O ATOM 643 CB ALA A 50 -6.574 -8.199 7.005 1.00 0.00 C ATOM 0 H ALA A 50 -7.155 -6.299 5.476 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.018 -6.621 8.383 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.061 -8.805 7.752 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.613 -8.520 6.928 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.084 -8.322 6.039 1.00 0.00 H new ATOM 649 N ASP A 51 -4.648 -5.378 6.658 1.00 0.00 N ATOM 650 CA ASP A 51 -3.296 -4.857 6.688 1.00 0.00 C ATOM 651 C ASP A 51 -3.325 -3.341 6.557 1.00 0.00 C ATOM 652 O ASP A 51 -2.369 -2.740 6.073 1.00 0.00 O ATOM 653 CB ASP A 51 -2.486 -5.482 5.556 1.00 0.00 C ATOM 654 CG ASP A 51 -3.196 -5.311 4.220 1.00 0.00 C ATOM 655 OD1 ASP A 51 -3.778 -4.223 4.023 1.00 0.00 O ATOM 656 OD2 ASP A 51 -3.143 -6.271 3.422 1.00 0.00 O ATOM 0 H ASP A 51 -5.222 -5.013 5.898 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.825 -5.111 7.638 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.500 -5.019 5.510 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.331 -6.542 5.757 1.00 0.00 H new ATOM 661 N PHE A 52 -4.426 -2.723 6.991 1.00 0.00 N ATOM 662 CA PHE A 52 -4.571 -1.284 6.919 1.00 0.00 C ATOM 663 C PHE A 52 -3.893 -0.636 8.117 1.00 0.00 C ATOM 664 O PHE A 52 -4.416 -0.680 9.229 1.00 0.00 O ATOM 665 CB PHE A 52 -6.054 -0.924 6.877 1.00 0.00 C ATOM 666 CG PHE A 52 -6.506 -0.386 5.540 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.599 0.286 4.713 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.833 -0.557 5.129 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.018 0.787 3.475 1.00 0.00 C ATOM 670 CE2 PHE A 52 -8.253 -0.057 3.891 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.345 0.616 3.064 1.00 0.00 C ATOM 0 H PHE A 52 -5.228 -3.207 7.396 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.094 -0.912 6.012 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.642 -1.809 7.121 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.261 -0.181 7.647 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.575 0.418 5.030 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.533 -1.075 5.767 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.318 1.305 2.837 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.277 -0.190 3.574 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.669 1.003 2.109 1.00 0.00 H new ATOM 681 N SER A 53 -2.724 -0.033 7.890 1.00 0.00 N ATOM 682 CA SER A 53 -1.982 0.621 8.949 1.00 0.00 C ATOM 683 C SER A 53 -2.248 2.119 8.918 1.00 0.00 C ATOM 684 O SER A 53 -2.885 2.620 7.994 1.00 0.00 O ATOM 685 CB SER A 53 -0.494 0.332 8.780 1.00 0.00 C ATOM 686 OG SER A 53 0.240 1.076 9.727 1.00 0.00 O ATOM 0 H SER A 53 -2.276 0.011 6.975 1.00 0.00 H new ATOM 0 HA SER A 53 -2.306 0.236 9.916 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.302 -0.733 8.911 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.174 0.592 7.771 1.00 0.00 H new ATOM 0 HG SER A 53 1.196 0.889 9.620 1.00 0.00 H new ATOM 692 N SER A 54 -1.758 2.835 9.933 1.00 0.00 N ATOM 693 CA SER A 54 -1.943 4.270 10.014 1.00 0.00 C ATOM 694 C SER A 54 -0.726 4.912 10.664 1.00 0.00 C ATOM 695 O SER A 54 -0.014 4.265 11.429 1.00 0.00 O ATOM 696 CB SER A 54 -3.207 4.574 10.814 1.00 0.00 C ATOM 697 OG SER A 54 -2.900 4.588 12.190 1.00 0.00 O ATOM 0 H SER A 54 -1.230 2.435 10.708 1.00 0.00 H new ATOM 0 HA SER A 54 -2.054 4.683 9.012 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.618 5.537 10.512 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.970 3.823 10.608 1.00 0.00 H new ATOM 0 HG SER A 54 -3.711 4.785 12.704 1.00 0.00 H new ATOM 703 N VAL A 55 -0.489 6.190 10.358 1.00 0.00 N ATOM 704 CA VAL A 55 0.638 6.913 10.913 1.00 0.00 C ATOM 705 C VAL A 55 0.470 8.403 10.657 1.00 0.00 C ATOM 706 O VAL A 55 -0.261 8.801 9.752 1.00 0.00 O ATOM 707 CB VAL A 55 1.930 6.398 10.285 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.832 6.497 8.766 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.104 7.241 10.775 1.00 0.00 C ATOM 0 H VAL A 55 -1.070 6.740 9.725 1.00 0.00 H new ATOM 0 HA VAL A 55 0.684 6.753 11.990 1.00 0.00 H new ATOM 0 HB VAL A 55 2.084 5.358 10.572 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.755 6.129 8.317 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.993 5.896 8.416 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.678 7.537 8.478 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.027 6.874 10.327 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.950 8.281 10.488 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.174 7.171 11.860 1.00 0.00 H new ATOM 719 N THR A 56 1.148 9.230 11.456 1.00 0.00 N ATOM 720 CA THR A 56 1.068 10.669 11.308 1.00 0.00 C ATOM 721 C THR A 56 2.467 11.257 11.193 1.00 0.00 C ATOM 722 O THR A 56 3.339 10.956 12.006 1.00 0.00 O ATOM 723 CB THR A 56 0.329 11.262 12.503 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.854 10.531 12.734 1.00 0.00 O ATOM 725 CG2 THR A 56 -0.022 12.719 12.213 1.00 0.00 C ATOM 0 H THR A 56 1.758 8.918 12.212 1.00 0.00 H new ATOM 0 HA THR A 56 0.518 10.914 10.399 1.00 0.00 H new ATOM 0 HB THR A 56 0.966 11.211 13.386 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.328 10.911 13.503 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.550 13.143 13.067 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.892 13.285 12.034 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.659 12.771 11.330 1.00 0.00 H new ATOM 733 N ALA A 57 2.680 12.098 10.179 1.00 0.00 N ATOM 734 CA ALA A 57 3.969 12.723 9.961 1.00 0.00 C ATOM 735 C ALA A 57 4.310 13.625 11.139 1.00 0.00 C ATOM 736 O ALA A 57 3.417 14.169 11.785 1.00 0.00 O ATOM 737 CB ALA A 57 3.934 13.522 8.662 1.00 0.00 C ATOM 0 H ALA A 57 1.967 12.358 9.497 1.00 0.00 H new ATOM 0 HA ALA A 57 4.740 11.956 9.880 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.904 13.992 8.498 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.709 12.854 7.830 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.164 14.291 8.728 1.00 0.00 H new ATOM 743 N ASP A 58 5.606 13.782 11.418 1.00 0.00 N ATOM 744 CA ASP A 58 6.057 14.614 12.516 1.00 0.00 C ATOM 745 C ASP A 58 6.322 16.026 12.016 1.00 0.00 C ATOM 746 O ASP A 58 6.004 16.353 10.874 1.00 0.00 O ATOM 747 CB ASP A 58 7.318 14.010 13.126 1.00 0.00 C ATOM 748 CG ASP A 58 8.433 13.921 12.094 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.269 14.551 11.027 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.428 13.226 12.391 1.00 0.00 O ATOM 0 H ASP A 58 6.358 13.338 10.891 1.00 0.00 H new ATOM 0 HA ASP A 58 5.285 14.661 13.284 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.646 14.618 13.969 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.098 13.016 13.516 1.00 0.00 H new ATOM 755 N ALA A 59 6.908 16.865 12.873 1.00 0.00 N ATOM 756 CA ALA A 59 7.211 18.236 12.515 1.00 0.00 C ATOM 757 C ALA A 59 8.180 18.260 11.342 1.00 0.00 C ATOM 758 O ALA A 59 8.238 19.240 10.603 1.00 0.00 O ATOM 759 CB ALA A 59 7.805 18.957 13.722 1.00 0.00 C ATOM 0 H ALA A 59 7.180 16.609 13.822 1.00 0.00 H new ATOM 0 HA ALA A 59 6.297 18.749 12.216 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.033 19.988 13.454 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.087 18.946 14.542 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.720 18.452 14.034 1.00 0.00 H new ATOM 765 N ASN A 60 8.942 17.177 11.172 1.00 0.00 N ATOM 766 CA ASN A 60 9.902 17.082 10.091 1.00 0.00 C ATOM 767 C ASN A 60 9.213 16.585 8.828 1.00 0.00 C ATOM 768 O ASN A 60 9.874 16.265 7.842 1.00 0.00 O ATOM 769 CB ASN A 60 11.031 16.138 10.497 1.00 0.00 C ATOM 770 CG ASN A 60 11.595 16.521 11.858 1.00 0.00 C ATOM 771 OD1 ASN A 60 11.050 17.388 12.536 1.00 0.00 O ATOM 772 ND2 ASN A 60 12.690 15.869 12.257 1.00 0.00 N ATOM 0 H ASN A 60 8.906 16.356 11.776 1.00 0.00 H new ATOM 0 HA ASN A 60 10.323 18.067 9.887 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.661 15.113 10.527 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.823 16.169 9.749 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.110 16.084 13.161 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.106 15.156 11.657 1.00 0.00 H new ATOM 779 N GLY A 61 7.880 16.523 8.858 1.00 0.00 N ATOM 780 CA GLY A 61 7.113 16.067 7.715 1.00 0.00 C ATOM 781 C GLY A 61 7.528 14.653 7.333 1.00 0.00 C ATOM 782 O GLY A 61 7.197 14.178 6.249 1.00 0.00 O ATOM 0 H GLY A 61 7.316 16.785 9.666 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.049 16.091 7.949 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.269 16.740 6.872 1.00 0.00 H new ATOM 786 N SER A 62 8.254 13.980 8.228 1.00 0.00 N ATOM 787 CA SER A 62 8.708 12.626 7.981 1.00 0.00 C ATOM 788 C SER A 62 7.868 11.644 8.785 1.00 0.00 C ATOM 789 O SER A 62 7.622 11.859 9.970 1.00 0.00 O ATOM 790 CB SER A 62 10.183 12.509 8.355 1.00 0.00 C ATOM 791 OG SER A 62 10.746 11.393 7.702 1.00 0.00 O ATOM 0 H SER A 62 8.537 14.360 9.131 1.00 0.00 H new ATOM 0 HA SER A 62 8.594 12.388 6.923 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.715 13.417 8.070 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.288 12.403 9.435 1.00 0.00 H new ATOM 0 HG SER A 62 10.186 11.144 6.937 1.00 0.00 H new ATOM 797 N ALA A 63 7.427 10.564 8.137 1.00 0.00 N ATOM 798 CA ALA A 63 6.618 9.556 8.792 1.00 0.00 C ATOM 799 C ALA A 63 7.322 8.208 8.729 1.00 0.00 C ATOM 800 O ALA A 63 8.229 8.017 7.922 1.00 0.00 O ATOM 801 CB ALA A 63 5.251 9.484 8.117 1.00 0.00 C ATOM 0 H ALA A 63 7.622 10.372 7.154 1.00 0.00 H new ATOM 0 HA ALA A 63 6.478 9.822 9.840 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.642 8.726 8.609 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.756 10.452 8.193 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.377 9.222 7.066 1.00 0.00 H new ATOM 807 N SER A 64 6.902 7.272 9.583 1.00 0.00 N ATOM 808 CA SER A 64 7.494 5.950 9.619 1.00 0.00 C ATOM 809 C SER A 64 6.431 4.918 9.969 1.00 0.00 C ATOM 810 O SER A 64 5.728 5.062 10.967 1.00 0.00 O ATOM 811 CB SER A 64 8.627 5.928 10.641 1.00 0.00 C ATOM 812 OG SER A 64 8.153 5.393 11.856 1.00 0.00 O ATOM 0 H SER A 64 6.151 7.414 10.258 1.00 0.00 H new ATOM 0 HA SER A 64 7.902 5.703 8.639 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.457 5.329 10.267 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.008 6.937 10.799 1.00 0.00 H new ATOM 0 HG SER A 64 7.182 5.515 11.911 1.00 0.00 H new ATOM 818 N THR A 65 6.316 3.874 9.146 1.00 0.00 N ATOM 819 CA THR A 65 5.342 2.826 9.377 1.00 0.00 C ATOM 820 C THR A 65 5.691 1.601 8.544 1.00 0.00 C ATOM 821 O THR A 65 6.271 1.723 7.467 1.00 0.00 O ATOM 822 CB THR A 65 3.949 3.341 9.024 1.00 0.00 C ATOM 823 OG1 THR A 65 3.131 3.306 10.171 1.00 0.00 O ATOM 824 CG2 THR A 65 3.341 2.458 7.937 1.00 0.00 C ATOM 0 H THR A 65 6.890 3.739 8.314 1.00 0.00 H new ATOM 0 HA THR A 65 5.354 2.539 10.429 1.00 0.00 H new ATOM 0 HB THR A 65 4.021 4.366 8.661 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.551 3.825 10.888 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.346 2.825 7.684 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.974 2.485 7.050 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.268 1.433 8.300 1.00 0.00 H new ATOM 832 N SER A 66 5.335 0.416 9.046 1.00 0.00 N ATOM 833 CA SER A 66 5.610 -0.823 8.348 1.00 0.00 C ATOM 834 C SER A 66 4.312 -1.417 7.818 1.00 0.00 C ATOM 835 O SER A 66 3.278 -1.342 8.477 1.00 0.00 O ATOM 836 CB SER A 66 6.303 -1.797 9.296 1.00 0.00 C ATOM 837 OG SER A 66 6.313 -1.258 10.599 1.00 0.00 O ATOM 0 H SER A 66 4.854 0.298 9.938 1.00 0.00 H new ATOM 0 HA SER A 66 6.269 -0.629 7.502 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.785 -2.756 9.292 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.323 -1.984 8.960 1.00 0.00 H new ATOM 0 HG SER A 66 6.757 -1.884 11.209 1.00 0.00 H new ATOM 843 N LEU A 67 4.369 -2.010 6.623 1.00 0.00 N ATOM 844 CA LEU A 67 3.202 -2.613 6.012 1.00 0.00 C ATOM 845 C LEU A 67 3.391 -4.121 5.915 1.00 0.00 C ATOM 846 O LEU A 67 4.360 -4.590 5.323 1.00 0.00 O ATOM 847 CB LEU A 67 2.981 -2.007 4.629 1.00 0.00 C ATOM 848 CG LEU A 67 1.496 -2.056 4.284 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.039 -3.509 4.205 1.00 0.00 C ATOM 850 CD2 LEU A 67 0.698 -1.329 5.364 1.00 0.00 C ATOM 0 H LEU A 67 5.219 -2.081 6.064 1.00 0.00 H new ATOM 0 HA LEU A 67 2.323 -2.415 6.626 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.336 -0.976 4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.557 -2.556 3.884 1.00 0.00 H new ATOM 0 HG LEU A 67 1.331 -1.571 3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.022 -3.544 3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.608 -4.028 3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.204 -3.995 5.166 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.363 -1.364 5.118 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.863 -1.813 6.326 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.024 -0.290 5.420 1.00 0.00 H new ATOM 862 N THR A 68 2.461 -4.880 6.499 1.00 0.00 N ATOM 863 CA THR A 68 2.533 -6.327 6.473 1.00 0.00 C ATOM 864 C THR A 68 2.266 -6.833 5.063 1.00 0.00 C ATOM 865 O THR A 68 1.234 -6.522 4.473 1.00 0.00 O ATOM 866 CB THR A 68 1.517 -6.903 7.455 1.00 0.00 C ATOM 867 OG1 THR A 68 1.437 -8.300 7.282 1.00 0.00 O ATOM 868 CG2 THR A 68 0.149 -6.280 7.197 1.00 0.00 C ATOM 0 H THR A 68 1.651 -4.507 6.994 1.00 0.00 H new ATOM 0 HA THR A 68 3.531 -6.650 6.770 1.00 0.00 H new ATOM 0 HB THR A 68 1.831 -6.680 8.475 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.861 -8.749 8.043 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.576 -6.692 7.899 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.210 -5.200 7.330 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.166 -6.503 6.177 1.00 0.00 H new ATOM 876 N VAL A 69 3.202 -7.618 4.523 1.00 0.00 N ATOM 877 CA VAL A 69 3.066 -8.164 3.188 1.00 0.00 C ATOM 878 C VAL A 69 2.255 -9.451 3.239 1.00 0.00 C ATOM 879 O VAL A 69 2.596 -10.373 3.976 1.00 0.00 O ATOM 880 CB VAL A 69 4.450 -8.420 2.600 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.463 -9.774 1.897 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.786 -7.322 1.594 1.00 0.00 C ATOM 0 H VAL A 69 4.063 -7.885 5.000 1.00 0.00 H new ATOM 0 HA VAL A 69 2.542 -7.452 2.551 1.00 0.00 H new ATOM 0 HB VAL A 69 5.190 -8.420 3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.452 -9.956 1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.223 -10.559 2.614 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.723 -9.776 1.097 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.775 -7.504 1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.046 -7.323 0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.778 -6.354 2.095 1.00 0.00 H new ATOM 892 N ARG A 70 1.178 -9.512 2.451 1.00 0.00 N ATOM 893 CA ARG A 70 0.325 -10.682 2.411 1.00 0.00 C ATOM 894 C ARG A 70 0.355 -11.294 1.017 1.00 0.00 C ATOM 895 O ARG A 70 0.440 -10.575 0.024 1.00 0.00 O ATOM 896 CB ARG A 70 -1.097 -10.288 2.798 1.00 0.00 C ATOM 897 CG ARG A 70 -1.242 -10.332 4.316 1.00 0.00 C ATOM 898 CD ARG A 70 -0.071 -9.595 4.961 1.00 0.00 C ATOM 899 NE ARG A 70 -0.367 -9.256 6.353 1.00 0.00 N ATOM 900 CZ ARG A 70 -0.159 -10.106 7.368 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.342 -11.325 7.128 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.451 -9.736 8.622 1.00 0.00 N ATOM 0 H ARG A 70 0.883 -8.756 1.833 1.00 0.00 H new ATOM 0 HA ARG A 70 0.687 -11.426 3.121 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.321 -9.287 2.429 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.813 -10.966 2.334 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.184 -9.873 4.615 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.268 -11.366 4.660 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.823 -10.217 4.917 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.145 -8.686 4.400 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.748 -8.333 6.560 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.565 -11.606 6.173 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.501 -11.972 7.900 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.832 -8.807 8.804 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.293 -10.383 9.395 1.00 0.00 H new ATOM 916 N ARG A 71 0.283 -12.625 0.946 1.00 0.00 N ATOM 917 CA ARG A 71 0.303 -13.325 -0.322 1.00 0.00 C ATOM 918 C ARG A 71 -1.112 -13.431 -0.874 1.00 0.00 C ATOM 919 O ARG A 71 -1.301 -13.763 -2.043 1.00 0.00 O ATOM 920 CB ARG A 71 0.912 -14.710 -0.128 1.00 0.00 C ATOM 921 CG ARG A 71 -0.015 -15.557 0.739 1.00 0.00 C ATOM 922 CD ARG A 71 -0.636 -16.663 -0.110 1.00 0.00 C ATOM 923 NE ARG A 71 -0.781 -17.898 0.661 1.00 0.00 N ATOM 924 CZ ARG A 71 0.265 -18.554 1.183 1.00 0.00 C ATOM 925 NH1 ARG A 71 1.507 -18.083 1.010 1.00 0.00 N ATOM 926 NH2 ARG A 71 0.068 -19.682 1.879 1.00 0.00 N ATOM 0 H ARG A 71 0.210 -13.234 1.761 1.00 0.00 H new ATOM 0 HA ARG A 71 0.911 -12.772 -1.038 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.063 -15.191 -1.094 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.891 -14.626 0.343 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.542 -15.991 1.570 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.797 -14.933 1.171 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.611 -16.342 -0.475 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.013 -16.848 -0.985 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.717 -18.276 0.807 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.658 -17.224 0.481 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.302 -18.583 1.408 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.877 -20.041 2.011 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.864 -20.182 2.276 1.00 0.00 H new ATOM 940 N SER A 72 -2.106 -13.147 -0.031 1.00 0.00 N ATOM 941 CA SER A 72 -3.495 -13.211 -0.439 1.00 0.00 C ATOM 942 C SER A 72 -4.373 -12.537 0.606 1.00 0.00 C ATOM 943 O SER A 72 -4.044 -12.538 1.791 1.00 0.00 O ATOM 944 CB SER A 72 -3.903 -14.670 -0.628 1.00 0.00 C ATOM 945 OG SER A 72 -4.075 -15.276 0.634 1.00 0.00 O ATOM 0 H SER A 72 -1.966 -12.870 0.941 1.00 0.00 H new ATOM 0 HA SER A 72 -3.623 -12.686 -1.385 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.828 -14.729 -1.201 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.141 -15.201 -1.198 1.00 0.00 H new ATOM 0 HG SER A 72 -4.339 -16.212 0.514 1.00 0.00 H new ATOM 951 N PHE A 73 -5.493 -11.960 0.166 1.00 0.00 N ATOM 952 CA PHE A 73 -6.410 -11.288 1.065 1.00 0.00 C ATOM 953 C PHE A 73 -7.624 -10.796 0.291 1.00 0.00 C ATOM 954 O PHE A 73 -7.532 -10.521 -0.903 1.00 0.00 O ATOM 955 CB PHE A 73 -5.692 -10.125 1.744 1.00 0.00 C ATOM 956 CG PHE A 73 -4.890 -9.272 0.791 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.542 -8.524 -0.197 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.495 -9.230 0.893 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.799 -7.735 -1.083 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.751 -8.440 0.008 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.403 -7.693 -0.980 1.00 0.00 C ATOM 0 H PHE A 73 -5.780 -11.949 -0.813 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.752 -11.984 1.831 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.428 -9.499 2.248 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.028 -10.518 2.514 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.619 -8.556 -0.276 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.992 -9.807 1.655 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.302 -7.159 -1.846 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.674 -8.407 0.088 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.829 -7.084 -1.663 1.00 0.00 H new ATOM 971 N GLU A 74 -8.766 -10.684 0.975 1.00 0.00 N ATOM 972 CA GLU A 74 -9.988 -10.225 0.347 1.00 0.00 C ATOM 973 C GLU A 74 -9.746 -8.892 -0.348 1.00 0.00 C ATOM 974 O GLU A 74 -9.342 -7.922 0.288 1.00 0.00 O ATOM 975 CB GLU A 74 -11.082 -10.093 1.403 1.00 0.00 C ATOM 976 CG GLU A 74 -10.569 -9.246 2.564 1.00 0.00 C ATOM 977 CD GLU A 74 -11.078 -9.781 3.894 1.00 0.00 C ATOM 978 OE1 GLU A 74 -12.265 -10.173 3.931 1.00 0.00 O ATOM 979 OE2 GLU A 74 -10.272 -9.790 4.849 1.00 0.00 O ATOM 0 H GLU A 74 -8.860 -10.908 1.966 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.308 -10.948 -0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.969 -9.633 0.967 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.378 -11.079 1.761 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.479 -9.242 2.562 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.892 -8.213 2.436 1.00 0.00 H new ATOM 986 N GLY A 75 -9.996 -8.847 -1.659 1.00 0.00 N ATOM 987 CA GLY A 75 -9.804 -7.634 -2.428 1.00 0.00 C ATOM 988 C GLY A 75 -10.972 -6.681 -2.212 1.00 0.00 C ATOM 989 O GLY A 75 -11.983 -6.767 -2.905 1.00 0.00 O ATOM 0 H GLY A 75 -10.332 -9.642 -2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.873 -7.151 -2.132 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.715 -7.877 -3.487 1.00 0.00 H new ATOM 993 N PHE A 76 -10.830 -5.770 -1.246 1.00 0.00 N ATOM 994 CA PHE A 76 -11.871 -4.809 -0.945 1.00 0.00 C ATOM 995 C PHE A 76 -11.757 -3.614 -1.881 1.00 0.00 C ATOM 996 O PHE A 76 -10.933 -2.728 -1.662 1.00 0.00 O ATOM 997 CB PHE A 76 -11.751 -4.370 0.511 1.00 0.00 C ATOM 998 CG PHE A 76 -12.931 -4.774 1.362 1.00 0.00 C ATOM 999 CD1 PHE A 76 -14.183 -4.186 1.146 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.773 -5.733 2.369 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -15.277 -4.559 1.936 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.867 -6.106 3.159 1.00 0.00 C ATOM 1003 CZ PHE A 76 -15.119 -5.519 2.943 1.00 0.00 C ATOM 0 H PHE A 76 -9.998 -5.685 -0.662 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.849 -5.268 -1.093 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.843 -4.797 0.937 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.641 -3.286 0.547 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -14.305 -3.445 0.370 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.807 -6.185 2.537 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -16.243 -4.106 1.769 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.745 -6.847 3.935 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.963 -5.806 3.553 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.587 -3.590 -2.926 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.576 -2.506 -3.888 1.00 0.00 C ATOM 1015 C LEU A 77 -12.811 -1.181 -3.176 1.00 0.00 C ATOM 1016 O LEU A 77 -13.742 -1.057 -2.383 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.651 -2.751 -4.942 1.00 0.00 C ATOM 1018 CG LEU A 77 -14.141 -1.413 -5.489 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.986 -0.690 -6.176 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.262 -1.655 -6.497 1.00 0.00 C ATOM 0 H LEU A 77 -13.276 -4.317 -3.121 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.605 -2.463 -4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.250 -3.362 -5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.483 -3.305 -4.507 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.516 -0.801 -4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.336 0.266 -6.567 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.186 -0.517 -5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.610 -1.302 -6.996 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.612 -0.700 -6.888 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.888 -2.267 -7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.087 -2.171 -6.006 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.964 -0.190 -3.460 1.00 0.00 N ATOM 1033 CA PHE A 78 -12.085 1.117 -2.846 1.00 0.00 C ATOM 1034 C PHE A 78 -13.531 1.588 -2.916 1.00 0.00 C ATOM 1035 O PHE A 78 -14.018 2.242 -1.997 1.00 0.00 O ATOM 1036 CB PHE A 78 -11.160 2.100 -3.559 1.00 0.00 C ATOM 1037 CG PHE A 78 -11.366 2.145 -5.054 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -12.448 2.853 -5.591 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -10.476 1.477 -5.904 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -12.640 2.893 -6.977 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -10.668 1.517 -7.290 1.00 0.00 C ATOM 1042 CZ PHE A 78 -11.750 2.225 -7.827 1.00 0.00 C ATOM 0 H PHE A 78 -11.187 -0.277 -4.115 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.794 1.059 -1.797 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.317 3.097 -3.148 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -10.125 1.829 -3.351 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.135 3.368 -4.936 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.641 0.931 -5.490 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -13.475 3.439 -7.391 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -9.981 1.002 -7.945 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.898 2.256 -8.896 1.00 0.00 H new ATOM 1052 N ASP A 79 -14.217 1.254 -4.011 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.601 1.644 -4.195 1.00 0.00 C ATOM 1054 C ASP A 79 -16.443 1.113 -3.044 1.00 0.00 C ATOM 1055 O ASP A 79 -17.564 1.569 -2.831 1.00 0.00 O ATOM 1056 CB ASP A 79 -16.107 1.105 -5.530 1.00 0.00 C ATOM 1057 CG ASP A 79 -17.133 2.048 -6.143 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -16.692 3.012 -6.806 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -18.338 1.787 -5.938 1.00 0.00 O ATOM 0 H ASP A 79 -13.827 0.712 -4.782 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.679 2.731 -4.204 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.270 0.977 -6.216 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.553 0.121 -5.384 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.900 0.146 -2.300 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.608 -0.437 -1.178 1.00 0.00 C ATOM 1066 C GLY A 80 -17.281 -1.737 -1.596 1.00 0.00 C ATOM 1067 O GLY A 80 -18.282 -2.138 -1.008 1.00 0.00 O ATOM 0 H GLY A 80 -14.971 -0.244 -2.462 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.913 -0.626 -0.359 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.355 0.264 -0.807 1.00 0.00 H new ATOM 1071 N THR A 81 -16.727 -2.396 -2.617 1.00 0.00 N ATOM 1072 CA THR A 81 -17.278 -3.644 -3.106 1.00 0.00 C ATOM 1073 C THR A 81 -16.311 -4.784 -2.821 1.00 0.00 C ATOM 1074 O THR A 81 -15.097 -4.596 -2.858 1.00 0.00 O ATOM 1075 CB THR A 81 -17.550 -3.528 -4.603 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.600 -2.612 -4.819 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.944 -4.894 -5.156 1.00 0.00 C ATOM 0 H THR A 81 -15.896 -2.078 -3.116 1.00 0.00 H new ATOM 0 HA THR A 81 -18.217 -3.855 -2.594 1.00 0.00 H new ATOM 0 HB THR A 81 -16.651 -3.177 -5.110 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.775 -2.535 -5.780 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.138 -4.811 -6.225 1.00 0.00 H new ATOM 0 HG22 THR A 81 -17.133 -5.602 -4.988 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.843 -5.246 -4.650 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.853 -5.970 -2.536 1.00 0.00 N ATOM 1086 CA ARG A 82 -16.039 -7.133 -2.246 1.00 0.00 C ATOM 1087 C ARG A 82 -15.667 -7.839 -3.542 1.00 0.00 C ATOM 1088 O ARG A 82 -16.437 -8.648 -4.054 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.808 -8.073 -1.321 1.00 0.00 C ATOM 1090 CG ARG A 82 -16.326 -7.880 0.115 1.00 0.00 C ATOM 1091 CD ARG A 82 -17.263 -8.616 1.069 1.00 0.00 C ATOM 1092 NE ARG A 82 -16.632 -9.828 1.592 1.00 0.00 N ATOM 1093 CZ ARG A 82 -16.656 -10.998 0.941 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -17.276 -11.093 -0.243 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -16.061 -12.074 1.473 1.00 0.00 N ATOM 0 H ARG A 82 -17.858 -6.142 -2.502 1.00 0.00 H new ATOM 0 HA ARG A 82 -15.121 -6.823 -1.747 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.877 -7.872 -1.387 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.659 -9.108 -1.630 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.309 -8.258 0.223 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -16.299 -6.819 0.361 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.537 -7.959 1.894 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -18.185 -8.877 0.550 1.00 0.00 H new ATOM 0 HE ARG A 82 -16.153 -9.780 2.491 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.730 -10.274 -0.648 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.294 -11.984 -0.739 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -15.589 -12.002 2.375 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -16.080 -12.965 0.977 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.481 -7.531 -4.073 1.00 0.00 N ATOM 1110 CA TRP A 83 -14.018 -8.140 -5.304 1.00 0.00 C ATOM 1111 C TRP A 83 -13.859 -9.641 -5.112 1.00 0.00 C ATOM 1112 O TRP A 83 -14.415 -10.429 -5.873 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.693 -7.504 -5.717 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.473 -7.410 -7.193 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -12.724 -6.320 -7.951 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -11.963 -8.425 -8.110 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -12.406 -6.589 -9.265 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -11.931 -7.875 -9.420 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -11.525 -9.753 -7.969 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -11.489 -8.602 -10.529 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -11.079 -10.491 -9.075 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -11.060 -9.921 -10.353 1.00 0.00 C ATOM 0 H TRP A 83 -13.830 -6.862 -3.663 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.750 -7.972 -6.094 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.640 -6.502 -5.292 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.878 -8.080 -5.279 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -13.114 -5.382 -7.584 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -12.509 -5.920 -10.028 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -11.532 -10.213 -6.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.479 -8.150 -11.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -10.747 -11.510 -8.939 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -10.716 -10.497 -11.199 1.00 0.00 H new ATOM 1133 N GLY A 84 -13.096 -10.037 -4.090 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.871 -11.440 -3.807 1.00 0.00 C ATOM 1135 C GLY A 84 -11.440 -11.660 -3.335 1.00 0.00 C ATOM 1136 O GLY A 84 -10.627 -10.739 -3.359 1.00 0.00 O ATOM 0 H GLY A 84 -12.627 -9.397 -3.449 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.570 -11.781 -3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.062 -12.034 -4.701 1.00 0.00 H new ATOM 1140 N THR A 85 -11.134 -12.886 -2.905 1.00 0.00 N ATOM 1141 CA THR A 85 -9.805 -13.217 -2.432 1.00 0.00 C ATOM 1142 C THR A 85 -8.774 -12.872 -3.498 1.00 0.00 C ATOM 1143 O THR A 85 -8.880 -13.321 -4.637 1.00 0.00 O ATOM 1144 CB THR A 85 -9.745 -14.701 -2.083 1.00 0.00 C ATOM 1145 OG1 THR A 85 -11.053 -15.192 -1.890 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.937 -14.891 -0.802 1.00 0.00 C ATOM 0 H THR A 85 -11.796 -13.662 -2.878 1.00 0.00 H new ATOM 0 HA THR A 85 -9.580 -12.636 -1.537 1.00 0.00 H new ATOM 0 HB THR A 85 -9.268 -15.246 -2.898 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.015 -16.146 -1.668 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.894 -15.951 -0.553 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.926 -14.512 -0.950 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.413 -14.346 0.013 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.774 -12.071 -3.124 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.730 -11.669 -4.045 1.00 0.00 C ATOM 1156 C VAL A 86 -5.488 -12.519 -3.818 1.00 0.00 C ATOM 1157 O VAL A 86 -5.223 -12.946 -2.696 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.418 -10.189 -3.846 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -5.161 -9.824 -4.630 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -7.591 -9.350 -4.345 1.00 0.00 C ATOM 0 H VAL A 86 -7.673 -11.691 -2.183 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.066 -11.819 -5.071 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.255 -9.991 -2.787 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.938 -8.767 -4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.323 -10.423 -4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.323 -10.022 -5.690 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.368 -8.292 -4.203 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.755 -9.547 -5.404 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.489 -9.610 -3.785 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.725 -12.762 -4.886 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.517 -13.558 -4.797 1.00 0.00 C ATOM 1172 C ASP A 87 -2.309 -12.701 -5.146 1.00 0.00 C ATOM 1173 O ASP A 87 -1.954 -12.573 -6.316 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.625 -14.752 -5.741 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.146 -15.980 -5.008 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -3.299 -16.707 -4.446 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -5.382 -16.168 -5.023 1.00 0.00 O ATOM 0 H ASP A 87 -4.931 -12.414 -5.822 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.393 -13.927 -3.779 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.292 -14.507 -6.568 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.648 -14.969 -6.173 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.677 -12.113 -4.128 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.514 -11.272 -4.332 1.00 0.00 C ATOM 1184 C CYS A 88 0.526 -12.023 -5.151 1.00 0.00 C ATOM 1185 O CYS A 88 1.341 -11.409 -5.835 1.00 0.00 O ATOM 1186 CB CYS A 88 0.057 -10.859 -2.978 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.732 -9.396 -2.262 1.00 0.00 S ATOM 0 H CYS A 88 -1.959 -12.210 -3.153 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.799 -10.374 -4.880 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.046 -11.692 -2.282 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.124 -10.666 -3.089 1.00 0.00 H new ATOM 1192 N THR A 89 0.497 -13.356 -5.080 1.00 0.00 N ATOM 1193 CA THR A 89 1.437 -14.177 -5.815 1.00 0.00 C ATOM 1194 C THR A 89 0.968 -14.341 -7.254 1.00 0.00 C ATOM 1195 O THR A 89 1.613 -15.025 -8.046 1.00 0.00 O ATOM 1196 CB THR A 89 1.567 -15.536 -5.132 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.330 -16.211 -5.190 1.00 0.00 O ATOM 1198 CG2 THR A 89 1.970 -15.335 -3.674 1.00 0.00 C ATOM 0 H THR A 89 -0.172 -13.882 -4.518 1.00 0.00 H new ATOM 0 HA THR A 89 2.414 -13.694 -5.826 1.00 0.00 H new ATOM 0 HB THR A 89 2.328 -16.128 -5.641 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.413 -17.084 -4.753 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.063 -16.305 -3.185 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.926 -14.813 -3.629 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.209 -14.743 -3.164 1.00 0.00 H new ATOM 1206 N THR A 90 -0.158 -13.709 -7.592 1.00 0.00 N ATOM 1207 CA THR A 90 -0.703 -13.788 -8.932 1.00 0.00 C ATOM 1208 C THR A 90 -0.712 -12.407 -9.571 1.00 0.00 C ATOM 1209 O THR A 90 -0.648 -12.284 -10.792 1.00 0.00 O ATOM 1210 CB THR A 90 -2.114 -14.366 -8.873 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.042 -15.770 -8.757 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.868 -13.999 -10.148 1.00 0.00 C ATOM 0 H THR A 90 -0.705 -13.138 -6.948 1.00 0.00 H new ATOM 0 HA THR A 90 -0.081 -14.443 -9.542 1.00 0.00 H new ATOM 0 HB THR A 90 -2.639 -13.956 -8.010 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.948 -16.142 -8.717 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.876 -14.412 -10.106 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.924 -12.914 -10.238 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.344 -14.409 -11.011 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.793 -11.365 -8.740 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.812 -10.000 -9.225 1.00 0.00 C ATOM 1222 C ALA A 91 0.201 -9.165 -8.454 1.00 0.00 C ATOM 1223 O ALA A 91 0.925 -9.688 -7.609 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.217 -9.425 -9.069 1.00 0.00 C ATOM 0 H ALA A 91 -0.846 -11.451 -7.725 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.541 -9.981 -10.281 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.232 -8.398 -9.434 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.922 -10.025 -9.645 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.502 -9.441 -8.017 1.00 0.00 H new ATOM 1230 N ALA A 92 0.252 -7.864 -8.749 1.00 0.00 N ATOM 1231 CA ALA A 92 1.176 -6.966 -8.085 1.00 0.00 C ATOM 1232 C ALA A 92 0.450 -6.198 -6.989 1.00 0.00 C ATOM 1233 O ALA A 92 -0.558 -5.544 -7.250 1.00 0.00 O ATOM 1234 CB ALA A 92 1.777 -6.008 -9.110 1.00 0.00 C ATOM 0 H ALA A 92 -0.341 -7.416 -9.447 1.00 0.00 H new ATOM 0 HA ALA A 92 1.982 -7.539 -7.627 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.472 -5.332 -8.612 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.308 -6.578 -9.873 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.981 -5.429 -9.578 1.00 0.00 H new ATOM 1240 N CYS A 93 0.966 -6.278 -5.760 1.00 0.00 N ATOM 1241 CA CYS A 93 0.366 -5.592 -4.633 1.00 0.00 C ATOM 1242 C CYS A 93 1.197 -4.369 -4.274 1.00 0.00 C ATOM 1243 O CYS A 93 2.393 -4.323 -4.556 1.00 0.00 O ATOM 1244 CB CYS A 93 0.273 -6.550 -3.448 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.767 -7.999 -3.754 1.00 0.00 S ATOM 0 H CYS A 93 1.801 -6.815 -5.528 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.639 -5.260 -4.895 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.276 -6.885 -3.185 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.119 -6.009 -2.587 1.00 0.00 H new ATOM 1250 N GLN A 94 0.561 -3.375 -3.650 1.00 0.00 N ATOM 1251 CA GLN A 94 1.243 -2.158 -3.258 1.00 0.00 C ATOM 1252 C GLN A 94 0.698 -1.666 -1.924 1.00 0.00 C ATOM 1253 O GLN A 94 -0.469 -1.887 -1.610 1.00 0.00 O ATOM 1254 CB GLN A 94 1.056 -1.100 -4.342 1.00 0.00 C ATOM 1255 CG GLN A 94 -0.093 -0.173 -3.956 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.715 0.463 -5.190 1.00 0.00 C ATOM 1257 OE1 GLN A 94 -0.413 1.608 -5.520 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -1.587 -0.283 -5.873 1.00 0.00 N ATOM 0 H GLN A 94 -0.430 -3.398 -3.408 1.00 0.00 H new ATOM 0 HA GLN A 94 2.308 -2.356 -3.141 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.974 -0.526 -4.467 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.846 -1.578 -5.299 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.851 -0.735 -3.410 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.272 0.605 -3.285 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.805 -1.229 -5.559 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.035 0.093 -6.709 1.00 0.00 H new ATOM 1267 N VAL A 95 1.547 -0.998 -1.140 1.00 0.00 N ATOM 1268 CA VAL A 95 1.148 -0.479 0.152 1.00 0.00 C ATOM 1269 C VAL A 95 1.270 1.038 0.158 1.00 0.00 C ATOM 1270 O VAL A 95 2.061 1.602 -0.595 1.00 0.00 O ATOM 1271 CB VAL A 95 2.023 -1.096 1.240 1.00 0.00 C ATOM 1272 CG1 VAL A 95 1.995 -0.208 2.480 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.492 -2.482 1.594 1.00 0.00 C ATOM 0 H VAL A 95 2.518 -0.808 -1.387 1.00 0.00 H new ATOM 0 HA VAL A 95 0.108 -0.741 0.348 1.00 0.00 H new ATOM 0 HB VAL A 95 3.048 -1.181 0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.620 -0.648 3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.374 0.782 2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.971 -0.122 2.843 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.116 -2.923 2.371 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.467 -2.398 1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.512 -3.117 0.708 1.00 0.00 H new ATOM 1283 N GLY A 96 0.484 1.700 1.010 1.00 0.00 N ATOM 1284 CA GLY A 96 0.512 3.146 1.105 1.00 0.00 C ATOM 1285 C GLY A 96 -0.446 3.622 2.188 1.00 0.00 C ATOM 1286 O GLY A 96 -1.192 2.826 2.754 1.00 0.00 O ATOM 0 H GLY A 96 -0.178 1.249 1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.524 3.483 1.331 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.236 3.586 0.147 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.423 4.926 2.475 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.287 5.502 3.487 1.00 0.00 C ATOM 1292 C LEU A 97 -2.071 6.665 2.896 1.00 0.00 C ATOM 1293 O LEU A 97 -1.568 7.380 2.033 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.443 5.965 4.671 1.00 0.00 C ATOM 1295 CG LEU A 97 0.586 6.986 4.194 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.732 8.088 5.239 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.931 6.295 3.990 1.00 0.00 C ATOM 0 H LEU A 97 0.190 5.598 2.014 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.997 4.751 3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.082 6.407 5.436 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.060 5.113 5.128 1.00 0.00 H new ATOM 0 HG LEU A 97 0.255 7.422 3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.467 8.817 4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.229 8.582 5.384 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.062 7.653 6.182 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.666 7.024 3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.262 5.858 4.932 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.826 5.509 3.243 1.00 0.00 H new ATOM 1309 N SER A 98 -3.307 6.852 3.363 1.00 0.00 N ATOM 1310 CA SER A 98 -4.151 7.926 2.881 1.00 0.00 C ATOM 1311 C SER A 98 -4.670 8.743 4.055 1.00 0.00 C ATOM 1312 O SER A 98 -4.824 8.222 5.158 1.00 0.00 O ATOM 1313 CB SER A 98 -5.309 7.340 2.077 1.00 0.00 C ATOM 1314 OG SER A 98 -4.871 7.045 0.770 1.00 0.00 O ATOM 0 H SER A 98 -3.739 6.266 4.077 1.00 0.00 H new ATOM 0 HA SER A 98 -3.572 8.585 2.234 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.681 6.436 2.560 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.137 8.048 2.044 1.00 0.00 H new ATOM 0 HG SER A 98 -5.613 6.667 0.254 1.00 0.00 H new ATOM 1320 N ASP A 99 -4.940 10.029 3.817 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.439 10.910 4.853 1.00 0.00 C ATOM 1322 C ASP A 99 -6.894 11.258 4.577 1.00 0.00 C ATOM 1323 O ASP A 99 -7.543 10.612 3.757 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.581 12.171 4.903 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.190 13.277 4.054 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.366 13.030 2.841 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.470 14.349 4.633 1.00 0.00 O ATOM 0 H ASP A 99 -4.818 10.476 2.909 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.383 10.410 5.820 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.486 12.510 5.935 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.576 11.946 4.547 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.406 12.282 5.264 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.780 12.709 5.090 1.00 0.00 C ATOM 1334 C ALA A 100 -9.008 13.136 3.647 1.00 0.00 C ATOM 1335 O ALA A 100 -9.970 12.706 3.015 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.080 13.857 6.048 1.00 0.00 C ATOM 0 H ALA A 100 -6.880 12.827 5.947 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.454 11.882 5.314 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.113 14.179 5.918 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.931 13.523 7.075 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.411 14.691 5.837 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.120 13.986 3.127 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.230 14.468 1.765 1.00 0.00 C ATOM 1344 C ALA A 101 -7.966 13.328 0.792 1.00 0.00 C ATOM 1345 O ALA A 101 -8.436 13.356 -0.343 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.236 15.606 1.547 1.00 0.00 C ATOM 0 H ALA A 101 -7.316 14.351 3.638 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.238 14.844 1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.318 15.969 0.523 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.456 16.419 2.239 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.223 15.243 1.723 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.210 12.321 1.238 1.00 0.00 N ATOM 1353 CA GLY A 102 -6.891 11.181 0.403 1.00 0.00 C ATOM 1354 C GLY A 102 -5.517 11.358 -0.228 1.00 0.00 C ATOM 1355 O GLY A 102 -5.328 11.057 -1.405 1.00 0.00 O ATOM 0 H GLY A 102 -6.811 12.281 2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.911 10.268 0.999 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.645 11.070 -0.376 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.556 11.848 0.559 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.207 12.061 0.073 1.00 0.00 C ATOM 1361 C ASN A 103 -2.238 11.155 0.820 1.00 0.00 C ATOM 1362 O ASN A 103 -2.575 10.613 1.870 1.00 0.00 O ATOM 1363 CB ASN A 103 -2.828 13.527 0.258 1.00 0.00 C ATOM 1364 CG ASN A 103 -3.361 14.064 1.579 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -2.832 13.550 2.692 1.00 0.00 O flip ATOM 1366 ND2 ASN A 103 -4.237 14.926 1.592 1.00 0.00 N flip ATOM 0 H ASN A 103 -4.696 12.103 1.537 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.156 11.816 -0.988 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -1.744 13.633 0.229 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.228 14.117 -0.567 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.610 15.288 0.714 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -4.591 15.280 2.481 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.030 10.992 0.274 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.023 10.153 0.893 1.00 0.00 C ATOM 1375 C GLY A 104 1.304 10.295 0.161 1.00 0.00 C ATOM 1376 O GLY A 104 1.416 11.077 -0.781 1.00 0.00 O ATOM 0 H GLY A 104 -0.734 11.434 -0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.099 10.432 1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.346 9.112 0.876 1.00 0.00 H new ATOM 1380 N PRO A 105 2.311 9.534 0.597 1.00 0.00 N ATOM 1381 CA PRO A 105 3.640 9.534 0.023 1.00 0.00 C ATOM 1382 C PRO A 105 3.610 8.842 -1.332 1.00 0.00 C ATOM 1383 O PRO A 105 2.728 8.030 -1.598 1.00 0.00 O ATOM 1384 CB PRO A 105 4.495 8.752 1.019 1.00 0.00 C ATOM 1385 CG PRO A 105 3.493 7.774 1.630 1.00 0.00 C ATOM 1386 CD PRO A 105 2.214 8.605 1.701 1.00 0.00 C ATOM 0 HA PRO A 105 4.033 10.538 -0.141 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.317 8.233 0.526 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.935 9.404 1.773 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.365 6.886 1.011 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.810 7.433 2.616 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.329 7.976 1.611 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.136 9.130 2.653 1.00 0.00 H new ATOM 1394 N GLU A 106 4.579 9.168 -2.192 1.00 0.00 N ATOM 1395 CA GLU A 106 4.656 8.576 -3.512 1.00 0.00 C ATOM 1396 C GLU A 106 4.247 7.111 -3.450 1.00 0.00 C ATOM 1397 O GLU A 106 4.872 6.319 -2.749 1.00 0.00 O ATOM 1398 CB GLU A 106 6.077 8.719 -4.050 1.00 0.00 C ATOM 1399 CG GLU A 106 7.028 7.880 -3.202 1.00 0.00 C ATOM 1400 CD GLU A 106 8.367 8.583 -3.031 1.00 0.00 C ATOM 1401 OE1 GLU A 106 8.406 9.542 -2.230 1.00 0.00 O ATOM 1402 OE2 GLU A 106 9.326 8.148 -3.704 1.00 0.00 O ATOM 0 H GLU A 106 5.318 9.841 -1.988 1.00 0.00 H new ATOM 0 HA GLU A 106 3.972 9.093 -4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.118 8.395 -5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.381 9.765 -4.030 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.583 7.695 -2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 106 7.180 6.909 -3.672 1.00 0.00 H new ATOM 1409 N GLY A 107 3.194 6.752 -4.188 1.00 0.00 N ATOM 1410 CA GLY A 107 2.712 5.385 -4.210 1.00 0.00 C ATOM 1411 C GLY A 107 3.881 4.412 -4.136 1.00 0.00 C ATOM 1412 O GLY A 107 4.985 4.731 -4.570 1.00 0.00 O ATOM 0 H GLY A 107 2.664 7.396 -4.776 1.00 0.00 H new ATOM 0 HA2 GLY A 107 2.036 5.217 -3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.140 5.208 -5.121 1.00 0.00 H new ATOM 1416 N VAL A 108 3.633 3.223 -3.582 1.00 0.00 N ATOM 1417 CA VAL A 108 4.662 2.211 -3.453 1.00 0.00 C ATOM 1418 C VAL A 108 4.206 0.924 -4.125 1.00 0.00 C ATOM 1419 O VAL A 108 3.374 0.200 -3.584 1.00 0.00 O ATOM 1420 CB VAL A 108 4.958 1.973 -1.975 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.561 0.583 -1.793 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.946 3.025 -1.479 1.00 0.00 C ATOM 0 H VAL A 108 2.722 2.945 -3.217 1.00 0.00 H new ATOM 0 HA VAL A 108 5.575 2.550 -3.943 1.00 0.00 H new ATOM 0 HB VAL A 108 4.033 2.044 -1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.772 0.413 -0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.856 -0.169 -2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.486 0.510 -2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 108 6.158 2.856 -0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.871 2.954 -2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.515 4.018 -1.608 1.00 0.00 H new ATOM 1432 N ALA A 109 4.755 0.640 -5.309 1.00 0.00 N ATOM 1433 CA ALA A 109 4.402 -0.555 -6.048 1.00 0.00 C ATOM 1434 C ALA A 109 5.215 -1.736 -5.537 1.00 0.00 C ATOM 1435 O ALA A 109 6.438 -1.655 -5.440 1.00 0.00 O ATOM 1436 CB ALA A 109 4.656 -0.326 -7.535 1.00 0.00 C ATOM 0 H ALA A 109 5.448 1.230 -5.770 1.00 0.00 H new ATOM 0 HA ALA A 109 3.345 -0.778 -5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.391 -1.225 -8.092 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.049 0.509 -7.883 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.710 -0.099 -7.693 1.00 0.00 H new ATOM 1442 N ILE A 110 4.533 -2.836 -5.210 1.00 0.00 N ATOM 1443 CA ILE A 110 5.191 -4.027 -4.713 1.00 0.00 C ATOM 1444 C ILE A 110 5.295 -5.061 -5.826 1.00 0.00 C ATOM 1445 O ILE A 110 4.569 -4.986 -6.815 1.00 0.00 O ATOM 1446 CB ILE A 110 4.408 -4.584 -3.528 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.923 -3.432 -2.652 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.310 -5.502 -2.708 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.157 -3.990 -1.455 1.00 0.00 C ATOM 0 H ILE A 110 3.519 -2.918 -5.284 1.00 0.00 H new ATOM 0 HA ILE A 110 6.199 -3.778 -4.380 1.00 0.00 H new ATOM 0 HB ILE A 110 3.550 -5.149 -3.893 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.771 -2.839 -2.310 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.281 -2.767 -3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.751 -5.900 -1.861 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.656 -6.325 -3.333 1.00 0.00 H new ATOM 0 HG23 ILE A 110 6.168 -4.938 -2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.811 -3.168 -0.829 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.300 -4.564 -1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.813 -4.637 -0.873 1.00 0.00 H new ATOM 1461 N SER A 111 6.200 -6.028 -5.662 1.00 0.00 N ATOM 1462 CA SER A 111 6.392 -7.070 -6.651 1.00 0.00 C ATOM 1463 C SER A 111 6.725 -8.384 -5.960 1.00 0.00 C ATOM 1464 O SER A 111 7.713 -8.474 -5.235 1.00 0.00 O ATOM 1465 CB SER A 111 7.510 -6.663 -7.607 1.00 0.00 C ATOM 1466 OG SER A 111 7.136 -6.982 -8.929 1.00 0.00 O ATOM 0 H SER A 111 6.810 -6.104 -4.848 1.00 0.00 H new ATOM 0 HA SER A 111 5.474 -7.207 -7.223 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.706 -5.594 -7.521 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.434 -7.179 -7.344 1.00 0.00 H new ATOM 0 HG SER A 111 7.852 -6.720 -9.544 1.00 0.00 H new ATOM 1472 N PHE A 112 5.897 -9.407 -6.186 1.00 0.00 N ATOM 1473 CA PHE A 112 6.109 -10.708 -5.585 1.00 0.00 C ATOM 1474 C PHE A 112 6.839 -11.616 -6.565 1.00 0.00 C ATOM 1475 O PHE A 112 6.372 -11.831 -7.681 1.00 0.00 O ATOM 1476 CB PHE A 112 4.764 -11.310 -5.189 1.00 0.00 C ATOM 1477 CG PHE A 112 4.120 -10.622 -4.009 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.780 -9.266 -4.089 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.861 -11.340 -2.835 1.00 0.00 C ATOM 1480 CE1 PHE A 112 3.181 -8.629 -2.996 1.00 0.00 C ATOM 1481 CE2 PHE A 112 3.262 -10.703 -1.742 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.922 -9.347 -1.822 1.00 0.00 C ATOM 0 H PHE A 112 5.073 -9.350 -6.785 1.00 0.00 H new ATOM 0 HA PHE A 112 6.723 -10.604 -4.690 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.087 -11.260 -6.042 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.902 -12.365 -4.953 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.980 -8.712 -4.994 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.124 -12.386 -2.773 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.918 -7.583 -3.058 1.00 0.00 H new ATOM 0 HE2 PHE A 112 3.062 -11.257 -0.837 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.460 -8.855 -0.979 1.00 0.00 H new ATOM 1492 N ASN A 113 7.989 -12.149 -6.144 1.00 0.00 N ATOM 1493 CA ASN A 113 8.774 -13.030 -6.986 1.00 0.00 C ATOM 1494 C ASN A 113 9.265 -12.274 -8.212 1.00 0.00 C ATOM 1495 O ASN A 113 9.297 -11.046 -8.216 1.00 0.00 O ATOM 1496 CB ASN A 113 7.925 -14.230 -7.395 1.00 0.00 C ATOM 1497 CG ASN A 113 7.371 -14.946 -6.171 1.00 0.00 C ATOM 1498 OD1 ASN A 113 6.166 -14.560 -5.745 1.00 0.00 O flip ATOM 1499 ND2 ASN A 113 8.022 -15.831 -5.620 1.00 0.00 N flip ATOM 0 H ASN A 113 8.391 -11.980 -5.222 1.00 0.00 H new ATOM 0 HA ASN A 113 9.643 -13.387 -6.433 1.00 0.00 H new ATOM 0 HB2 ASN A 113 7.104 -13.900 -8.031 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.526 -14.922 -7.985 1.00 0.00 H new ATOM 0 HD21 ASN A 113 8.939 -16.091 -5.983 1.00 0.00 H new ATOM 0 HD22 ASN A 113 7.645 -16.306 -4.799 1.00 0.00 H new TER 1506 ASN A 113