USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 594 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 28 ASN : amide:sc= -1.71 K(o=-6.8,f=-16!) USER MOD Set 1.2: A 64 ASN :FLIP amide:sc= -5.09! C(o=-11!,f=-6.8!) USER MOD Single : A 3 SER OG : rot -23:sc= -0.927 USER MOD Single : A 4 THR OG1 : rot -159:sc= -3.39 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.047) USER MOD Single : A 13 SER OG : rot 91:sc= 0.861 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.397 K(o=-0.4,f=-0.9) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -144:sc= -0.228 (180deg=-1.29) USER MOD Single : A 24 GLN :FLIP amide:sc= -1.18 F(o=-2.3,f=-1.2) USER MOD Single : A 25 MET CE :methyl 174:sc= 0 (180deg=-0.0353) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -45:sc= 0.652 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0225 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.161 X(o=-0.16,f=-0.26) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 58:sc= 0.589 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.159 F(o=-1.1,f=-0.16) USER MOD Single : A 62 LYS NZ :NH3+ -133:sc= -0.509 (180deg=-0.772) USER MOD Single : A 65 THR OG1 : rot 149:sc= -1.33 USER MOD Single : A 67 GLN : amide:sc= -2.42 X(o=-2.4,f=-2) USER MOD Single : A 72 TYR OH : rot 165:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.24 K(o=-1.2,f=-4!) USER MOD Single : A 77 ASN : amide:sc= -2.9 K(o=-2.9,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 -0.708 6.414 0.110 1.00 0.00 N ATOM 43 CA SER A 3 -0.180 5.330 0.931 1.00 0.00 C ATOM 44 C SER A 3 -1.222 4.857 1.941 1.00 0.00 C ATOM 45 O SER A 3 -1.809 3.786 1.790 1.00 0.00 O ATOM 46 CB SER A 3 1.085 5.784 1.660 1.00 0.00 C ATOM 47 OG SER A 3 1.138 7.197 1.759 1.00 0.00 O ATOM 0 HA SER A 3 0.068 4.497 0.274 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.111 5.345 2.657 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.965 5.420 1.129 1.00 0.00 H new ATOM 0 HG SER A 3 0.586 7.595 1.054 1.00 0.00 H new ATOM 53 N THR A 4 -1.446 5.665 2.972 1.00 0.00 N ATOM 54 CA THR A 4 -2.414 5.331 4.009 1.00 0.00 C ATOM 55 C THR A 4 -3.797 5.094 3.413 1.00 0.00 C ATOM 56 O THR A 4 -4.583 4.304 3.937 1.00 0.00 O ATOM 57 CB THR A 4 -2.508 6.444 5.069 1.00 0.00 C ATOM 58 OG1 THR A 4 -1.196 6.830 5.493 1.00 0.00 O ATOM 59 CG2 THR A 4 -3.318 5.980 6.270 1.00 0.00 C ATOM 0 H THR A 4 -0.970 6.556 3.111 1.00 0.00 H new ATOM 0 HA THR A 4 -2.064 4.415 4.485 1.00 0.00 H new ATOM 0 HB THR A 4 -3.011 7.301 4.620 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.251 7.270 6.367 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.371 6.783 7.005 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.325 5.715 5.949 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.839 5.109 6.717 1.00 0.00 H new ATOM 67 N PHE A 5 -4.089 5.783 2.315 1.00 0.00 N ATOM 68 CA PHE A 5 -5.379 5.647 1.647 1.00 0.00 C ATOM 69 C PHE A 5 -5.769 4.178 1.511 1.00 0.00 C ATOM 70 O PHE A 5 -6.936 3.818 1.662 1.00 0.00 O ATOM 71 CB PHE A 5 -5.334 6.304 0.266 1.00 0.00 C ATOM 72 CG PHE A 5 -6.674 6.375 -0.408 1.00 0.00 C ATOM 73 CD1 PHE A 5 -7.829 6.558 0.335 1.00 0.00 C ATOM 74 CD2 PHE A 5 -6.779 6.257 -1.784 1.00 0.00 C ATOM 75 CE1 PHE A 5 -9.064 6.624 -0.282 1.00 0.00 C ATOM 76 CE2 PHE A 5 -8.011 6.322 -2.407 1.00 0.00 C ATOM 77 CZ PHE A 5 -9.155 6.504 -1.655 1.00 0.00 C ATOM 0 H PHE A 5 -3.450 6.441 1.869 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.130 6.149 2.257 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.932 7.312 0.365 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.645 5.748 -0.370 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.764 6.650 1.409 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.888 6.113 -2.377 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -9.957 6.769 0.309 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.079 6.231 -3.481 1.00 0.00 H new ATOM 0 HZ PHE A 5 -10.119 6.552 -2.140 1.00 0.00 H new ATOM 87 N ASP A 6 -4.783 3.335 1.225 1.00 0.00 N ATOM 88 CA ASP A 6 -5.022 1.904 1.069 1.00 0.00 C ATOM 89 C ASP A 6 -5.653 1.318 2.328 1.00 0.00 C ATOM 90 O ASP A 6 -6.837 0.982 2.342 1.00 0.00 O ATOM 91 CB ASP A 6 -3.713 1.179 0.755 1.00 0.00 C ATOM 92 CG ASP A 6 -3.691 0.605 -0.649 1.00 0.00 C ATOM 93 OD1 ASP A 6 -4.622 -0.153 -0.994 1.00 0.00 O ATOM 94 OD2 ASP A 6 -2.745 0.915 -1.401 1.00 0.00 O ATOM 0 H ASP A 6 -3.811 3.617 1.096 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.714 1.764 0.239 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.880 1.872 0.874 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.565 0.375 1.476 1.00 0.00 H new ATOM 99 N ASP A 7 -4.855 1.198 3.383 1.00 0.00 N ATOM 100 CA ASP A 7 -5.335 0.652 4.647 1.00 0.00 C ATOM 101 C ASP A 7 -6.615 1.354 5.090 1.00 0.00 C ATOM 102 O ASP A 7 -7.479 0.747 5.724 1.00 0.00 O ATOM 103 CB ASP A 7 -4.262 0.791 5.728 1.00 0.00 C ATOM 104 CG ASP A 7 -3.120 -0.188 5.539 1.00 0.00 C ATOM 105 OD1 ASP A 7 -2.520 -0.195 4.444 1.00 0.00 O ATOM 106 OD2 ASP A 7 -2.827 -0.949 6.485 1.00 0.00 O ATOM 0 H ASP A 7 -3.872 1.472 3.388 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.554 -0.405 4.498 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.870 1.808 5.718 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.714 0.633 6.707 1.00 0.00 H new ATOM 111 N ILE A 8 -6.728 2.634 4.755 1.00 0.00 N ATOM 112 CA ILE A 8 -7.902 3.418 5.119 1.00 0.00 C ATOM 113 C ILE A 8 -9.134 2.951 4.351 1.00 0.00 C ATOM 114 O ILE A 8 -10.227 2.852 4.910 1.00 0.00 O ATOM 115 CB ILE A 8 -7.682 4.919 4.850 1.00 0.00 C ATOM 116 CG1 ILE A 8 -6.792 5.528 5.936 1.00 0.00 C ATOM 117 CG2 ILE A 8 -9.017 5.645 4.782 1.00 0.00 C ATOM 118 CD1 ILE A 8 -6.284 6.911 5.594 1.00 0.00 C ATOM 0 H ILE A 8 -6.021 3.151 4.232 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.063 3.268 6.187 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.180 5.032 3.889 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.353 5.576 6.870 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.941 4.869 6.109 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.846 6.704 4.591 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.619 5.224 3.977 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.544 5.527 5.729 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.660 7.281 6.408 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.696 6.866 4.677 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.129 7.584 5.450 1.00 0.00 H new ATOM 130 N LYS A 9 -8.951 2.662 3.067 1.00 0.00 N ATOM 131 CA LYS A 9 -10.046 2.202 2.222 1.00 0.00 C ATOM 132 C LYS A 9 -10.582 0.860 2.709 1.00 0.00 C ATOM 133 O LYS A 9 -11.744 0.523 2.478 1.00 0.00 O ATOM 134 CB LYS A 9 -9.580 2.080 0.769 1.00 0.00 C ATOM 135 CG LYS A 9 -9.147 0.676 0.386 1.00 0.00 C ATOM 136 CD LYS A 9 -8.191 0.690 -0.796 1.00 0.00 C ATOM 137 CE LYS A 9 -8.940 0.658 -2.119 1.00 0.00 C ATOM 138 NZ LYS A 9 -9.237 -0.734 -2.555 1.00 0.00 N ATOM 0 H LYS A 9 -8.053 2.738 2.589 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.849 2.937 2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.389 2.395 0.109 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.749 2.765 0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.666 0.197 1.239 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.024 0.078 0.138 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.568 1.583 -0.751 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.522 -0.168 -0.735 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.872 1.215 -2.022 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.347 1.159 -2.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.748 -0.713 -3.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.347 -1.258 -2.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.824 -1.205 -1.837 1.00 0.00 H new ATOM 152 N LYS A 10 -9.730 0.098 3.386 1.00 0.00 N ATOM 153 CA LYS A 10 -10.118 -1.207 3.909 1.00 0.00 C ATOM 154 C LYS A 10 -10.959 -1.058 5.173 1.00 0.00 C ATOM 155 O LYS A 10 -12.069 -1.584 5.256 1.00 0.00 O ATOM 156 CB LYS A 10 -8.876 -2.050 4.207 1.00 0.00 C ATOM 157 CG LYS A 10 -7.758 -1.864 3.195 1.00 0.00 C ATOM 158 CD LYS A 10 -6.806 -3.048 3.192 1.00 0.00 C ATOM 159 CE LYS A 10 -7.146 -4.034 2.085 1.00 0.00 C ATOM 160 NZ LYS A 10 -6.748 -3.522 0.745 1.00 0.00 N ATOM 0 H LYS A 10 -8.765 0.362 3.586 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.718 -1.711 3.151 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.503 -1.795 5.199 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.159 -3.102 4.234 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.184 -1.736 2.200 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.206 -0.953 3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.783 -2.694 3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.849 -3.553 4.157 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.643 -4.982 2.276 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.217 -4.235 2.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.806 -4.292 0.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.387 -2.751 0.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.772 -3.165 0.786 1.00 0.00 H new ATOM 174 N ILE A 11 -10.424 -0.337 6.152 1.00 0.00 N ATOM 175 CA ILE A 11 -11.127 -0.118 7.410 1.00 0.00 C ATOM 176 C ILE A 11 -12.504 0.494 7.171 1.00 0.00 C ATOM 177 O ILE A 11 -13.488 0.095 7.795 1.00 0.00 O ATOM 178 CB ILE A 11 -10.326 0.803 8.350 1.00 0.00 C ATOM 179 CG1 ILE A 11 -9.927 2.088 7.623 1.00 0.00 C ATOM 180 CG2 ILE A 11 -9.094 0.080 8.874 1.00 0.00 C ATOM 181 CD1 ILE A 11 -9.073 3.015 8.459 1.00 0.00 C ATOM 0 H ILE A 11 -9.506 0.105 6.099 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.242 -1.094 7.881 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.956 1.069 9.198 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.384 1.828 6.714 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.829 2.617 7.315 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.538 0.743 9.537 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.401 -0.810 9.424 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.460 -0.212 8.037 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.828 3.905 7.880 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.621 3.305 9.356 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.154 2.504 8.745 1.00 0.00 H new ATOM 193 N ILE A 12 -12.566 1.461 6.263 1.00 0.00 N ATOM 194 CA ILE A 12 -13.822 2.125 5.939 1.00 0.00 C ATOM 195 C ILE A 12 -14.723 1.220 5.104 1.00 0.00 C ATOM 196 O ILE A 12 -15.948 1.296 5.192 1.00 0.00 O ATOM 197 CB ILE A 12 -13.583 3.440 5.173 1.00 0.00 C ATOM 198 CG1 ILE A 12 -13.084 3.147 3.757 1.00 0.00 C ATOM 199 CG2 ILE A 12 -12.589 4.315 5.921 1.00 0.00 C ATOM 200 CD1 ILE A 12 -12.830 4.392 2.936 1.00 0.00 C ATOM 0 H ILE A 12 -11.761 1.802 5.738 1.00 0.00 H new ATOM 0 HA ILE A 12 -14.313 2.350 6.886 1.00 0.00 H new ATOM 0 HB ILE A 12 -14.528 3.978 5.100 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.163 2.567 3.818 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -13.818 2.526 3.243 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -12.430 5.240 5.367 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.982 4.547 6.911 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.642 3.785 6.021 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.478 4.108 1.944 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -13.754 4.962 2.844 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.074 5.004 3.428 1.00 0.00 H new ATOM 212 N SER A 13 -14.106 0.364 4.296 1.00 0.00 N ATOM 213 CA SER A 13 -14.852 -0.555 3.444 1.00 0.00 C ATOM 214 C SER A 13 -15.722 -1.487 4.281 1.00 0.00 C ATOM 215 O SER A 13 -16.811 -1.882 3.864 1.00 0.00 O ATOM 216 CB SER A 13 -13.892 -1.374 2.579 1.00 0.00 C ATOM 217 OG SER A 13 -13.761 -0.808 1.286 1.00 0.00 O ATOM 0 H SER A 13 -13.092 0.288 4.213 1.00 0.00 H new ATOM 0 HA SER A 13 -15.501 0.034 2.796 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.915 -1.421 3.059 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.256 -2.398 2.496 1.00 0.00 H new ATOM 0 HG SER A 13 -13.012 -0.176 1.280 1.00 0.00 H new ATOM 223 N LYS A 14 -15.233 -1.837 5.466 1.00 0.00 N ATOM 224 CA LYS A 14 -15.965 -2.722 6.365 1.00 0.00 C ATOM 225 C LYS A 14 -16.651 -1.927 7.472 1.00 0.00 C ATOM 226 O LYS A 14 -17.637 -2.380 8.052 1.00 0.00 O ATOM 227 CB LYS A 14 -15.017 -3.756 6.978 1.00 0.00 C ATOM 228 CG LYS A 14 -15.711 -4.745 7.899 1.00 0.00 C ATOM 229 CD LYS A 14 -15.146 -4.685 9.308 1.00 0.00 C ATOM 230 CE LYS A 14 -15.949 -5.551 10.267 1.00 0.00 C ATOM 231 NZ LYS A 14 -16.863 -4.737 11.116 1.00 0.00 N ATOM 0 H LYS A 14 -14.333 -1.521 5.826 1.00 0.00 H new ATOM 0 HA LYS A 14 -16.730 -3.237 5.784 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.523 -4.304 6.176 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.238 -3.237 7.536 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.780 -4.531 7.925 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.597 -5.754 7.503 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.108 -5.016 9.299 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.149 -3.653 9.659 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.531 -6.278 9.700 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.268 -6.115 10.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.392 -5.363 11.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -16.306 -4.061 11.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.530 -4.218 10.510 1.00 0.00 H new ATOM 245 N GLN A 15 -16.123 -0.741 7.757 1.00 0.00 N ATOM 246 CA GLN A 15 -16.687 0.116 8.794 1.00 0.00 C ATOM 247 C GLN A 15 -17.844 0.944 8.245 1.00 0.00 C ATOM 248 O GLN A 15 -19.004 0.713 8.590 1.00 0.00 O ATOM 249 CB GLN A 15 -15.608 1.040 9.363 1.00 0.00 C ATOM 250 CG GLN A 15 -16.077 1.861 10.553 1.00 0.00 C ATOM 251 CD GLN A 15 -16.927 1.057 11.518 1.00 0.00 C ATOM 252 OE1 GLN A 15 -16.482 0.047 12.063 1.00 0.00 O ATOM 253 NE2 GLN A 15 -18.159 1.503 11.735 1.00 0.00 N ATOM 0 H GLN A 15 -15.307 -0.352 7.285 1.00 0.00 H new ATOM 0 HA GLN A 15 -17.067 -0.522 9.592 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.748 0.440 9.662 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -15.268 1.715 8.578 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -15.209 2.256 11.081 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -16.650 2.717 10.196 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -18.487 2.345 11.262 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -18.777 1.004 12.375 1.00 0.00 H new ATOM 262 N LEU A 16 -17.522 1.909 7.391 1.00 0.00 N ATOM 263 CA LEU A 16 -18.536 2.772 6.794 1.00 0.00 C ATOM 264 C LEU A 16 -19.043 2.189 5.479 1.00 0.00 C ATOM 265 O LEU A 16 -19.715 2.870 4.705 1.00 0.00 O ATOM 266 CB LEU A 16 -17.967 4.172 6.559 1.00 0.00 C ATOM 267 CG LEU A 16 -17.927 5.094 7.778 1.00 0.00 C ATOM 268 CD1 LEU A 16 -16.542 5.701 7.943 1.00 0.00 C ATOM 269 CD2 LEU A 16 -18.979 6.186 7.656 1.00 0.00 C ATOM 0 H LEU A 16 -16.567 2.114 7.096 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.375 2.839 7.487 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -16.953 4.070 6.172 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -18.557 4.656 5.781 1.00 0.00 H new ATOM 0 HG LEU A 16 -18.149 4.501 8.665 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.533 6.354 8.816 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -15.810 4.905 8.078 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.290 6.279 7.054 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -18.936 6.832 8.533 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -18.788 6.776 6.760 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -19.968 5.733 7.588 1.00 0.00 H new ATOM 281 N SER A 17 -18.717 0.924 5.234 1.00 0.00 N ATOM 282 CA SER A 17 -19.137 0.249 4.012 1.00 0.00 C ATOM 283 C SER A 17 -18.329 0.740 2.814 1.00 0.00 C ATOM 284 O SER A 17 -17.630 -0.035 2.162 1.00 0.00 O ATOM 285 CB SER A 17 -20.629 0.480 3.764 1.00 0.00 C ATOM 286 OG SER A 17 -21.298 -0.742 3.505 1.00 0.00 O ATOM 0 H SER A 17 -18.163 0.346 5.866 1.00 0.00 H new ATOM 0 HA SER A 17 -18.957 -0.819 4.136 1.00 0.00 H new ATOM 0 HB2 SER A 17 -21.074 0.965 4.633 1.00 0.00 H new ATOM 0 HB3 SER A 17 -20.760 1.156 2.919 1.00 0.00 H new ATOM 0 HG SER A 17 -22.250 -0.568 3.352 1.00 0.00 H new ATOM 292 N VAL A 18 -18.431 2.035 2.531 1.00 0.00 N ATOM 293 CA VAL A 18 -17.710 2.632 1.414 1.00 0.00 C ATOM 294 C VAL A 18 -17.796 4.154 1.454 1.00 0.00 C ATOM 295 O VAL A 18 -18.881 4.721 1.577 1.00 0.00 O ATOM 296 CB VAL A 18 -18.256 2.134 0.063 1.00 0.00 C ATOM 297 CG1 VAL A 18 -17.394 1.004 -0.478 1.00 0.00 C ATOM 298 CG2 VAL A 18 -19.704 1.690 0.205 1.00 0.00 C ATOM 0 H VAL A 18 -19.006 2.690 3.060 1.00 0.00 H new ATOM 0 HA VAL A 18 -16.668 2.327 1.511 1.00 0.00 H new ATOM 0 HB VAL A 18 -18.221 2.958 -0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -17.796 0.665 -1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -16.374 1.360 -0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -17.394 0.175 0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -20.074 1.341 -0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -19.767 0.880 0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -20.311 2.530 0.544 1.00 0.00 H new ATOM 308 N GLU A 19 -16.644 4.809 1.350 1.00 0.00 N ATOM 309 CA GLU A 19 -16.590 6.266 1.375 1.00 0.00 C ATOM 310 C GLU A 19 -15.188 6.765 1.035 1.00 0.00 C ATOM 311 O GLU A 19 -14.728 7.770 1.575 1.00 0.00 O ATOM 312 CB GLU A 19 -17.009 6.791 2.750 1.00 0.00 C ATOM 313 CG GLU A 19 -16.036 6.432 3.861 1.00 0.00 C ATOM 314 CD GLU A 19 -16.235 7.276 5.105 1.00 0.00 C ATOM 315 OE1 GLU A 19 -17.392 7.408 5.555 1.00 0.00 O ATOM 316 OE2 GLU A 19 -15.231 7.805 5.629 1.00 0.00 O ATOM 0 H GLU A 19 -15.737 4.354 1.248 1.00 0.00 H new ATOM 0 HA GLU A 19 -17.284 6.642 0.623 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.107 7.875 2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.993 6.393 2.997 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.155 5.379 4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -15.015 6.558 3.500 1.00 0.00 H new ATOM 323 N GLU A 20 -14.516 6.053 0.135 1.00 0.00 N ATOM 324 CA GLU A 20 -13.167 6.423 -0.276 1.00 0.00 C ATOM 325 C GLU A 20 -13.189 7.664 -1.164 1.00 0.00 C ATOM 326 O GLU A 20 -12.157 8.295 -1.393 1.00 0.00 O ATOM 327 CB GLU A 20 -12.501 5.263 -1.019 1.00 0.00 C ATOM 328 CG GLU A 20 -12.988 5.096 -2.449 1.00 0.00 C ATOM 329 CD GLU A 20 -12.915 3.658 -2.926 1.00 0.00 C ATOM 330 OE1 GLU A 20 -13.859 2.891 -2.644 1.00 0.00 O ATOM 331 OE2 GLU A 20 -11.914 3.301 -3.581 1.00 0.00 O ATOM 0 H GLU A 20 -14.883 5.218 -0.322 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.591 6.650 0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.422 5.420 -1.027 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.685 4.339 -0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.017 5.447 -2.522 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.389 5.724 -3.108 1.00 0.00 H new ATOM 338 N ASP A 21 -14.372 8.006 -1.662 1.00 0.00 N ATOM 339 CA ASP A 21 -14.531 9.171 -2.524 1.00 0.00 C ATOM 340 C ASP A 21 -14.487 10.460 -1.709 1.00 0.00 C ATOM 341 O ASP A 21 -14.527 11.559 -2.263 1.00 0.00 O ATOM 342 CB ASP A 21 -15.848 9.086 -3.297 1.00 0.00 C ATOM 343 CG ASP A 21 -15.795 8.068 -4.419 1.00 0.00 C ATOM 344 OD1 ASP A 21 -15.026 8.283 -5.380 1.00 0.00 O ATOM 345 OD2 ASP A 21 -16.522 7.056 -4.337 1.00 0.00 O ATOM 0 H ASP A 21 -15.235 7.493 -1.483 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.704 9.182 -3.233 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -16.653 8.824 -2.610 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -16.088 10.066 -3.710 1.00 0.00 H new ATOM 350 N LYS A 22 -14.407 10.319 -0.391 1.00 0.00 N ATOM 351 CA LYS A 22 -14.358 11.470 0.502 1.00 0.00 C ATOM 352 C LYS A 22 -13.260 11.303 1.547 1.00 0.00 C ATOM 353 O LYS A 22 -13.155 12.097 2.482 1.00 0.00 O ATOM 354 CB LYS A 22 -15.710 11.663 1.193 1.00 0.00 C ATOM 355 CG LYS A 22 -16.300 10.377 1.744 1.00 0.00 C ATOM 356 CD LYS A 22 -15.786 10.082 3.144 1.00 0.00 C ATOM 357 CE LYS A 22 -16.782 10.518 4.207 1.00 0.00 C ATOM 358 NZ LYS A 22 -18.050 9.742 4.130 1.00 0.00 N ATOM 0 H LYS A 22 -14.375 9.417 0.084 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.133 12.353 -0.096 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.594 12.378 2.008 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.412 12.100 0.483 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.387 10.453 1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.050 9.548 1.082 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.590 9.014 3.243 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.837 10.596 3.300 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.338 10.391 5.194 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -16.998 11.580 4.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -18.852 10.363 4.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -18.170 9.367 3.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -18.016 8.953 4.807 1.00 0.00 H new ATOM 372 N ILE A 23 -12.444 10.268 1.380 1.00 0.00 N ATOM 373 CA ILE A 23 -11.352 9.999 2.308 1.00 0.00 C ATOM 374 C ILE A 23 -10.145 10.882 2.007 1.00 0.00 C ATOM 375 O ILE A 23 -9.407 11.269 2.912 1.00 0.00 O ATOM 376 CB ILE A 23 -10.920 8.522 2.256 1.00 0.00 C ATOM 377 CG1 ILE A 23 -11.815 7.674 3.161 1.00 0.00 C ATOM 378 CG2 ILE A 23 -9.461 8.383 2.664 1.00 0.00 C ATOM 379 CD1 ILE A 23 -11.670 7.999 4.631 1.00 0.00 C ATOM 0 H ILE A 23 -12.518 9.602 0.611 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.724 10.225 3.307 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.027 8.163 1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -12.855 7.817 2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.581 6.621 3.005 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.170 7.333 2.622 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.836 8.960 1.982 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.330 8.756 3.680 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.334 7.359 5.212 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.639 7.829 4.941 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -11.932 9.043 4.800 1.00 0.00 H new ATOM 391 N GLN A 24 -9.954 11.197 0.730 1.00 0.00 N ATOM 392 CA GLN A 24 -8.837 12.035 0.311 1.00 0.00 C ATOM 393 C GLN A 24 -9.252 13.501 0.241 1.00 0.00 C ATOM 394 O GLN A 24 -8.869 14.222 -0.680 1.00 0.00 O ATOM 395 CB GLN A 24 -8.311 11.577 -1.051 1.00 0.00 C ATOM 396 CG GLN A 24 -9.305 11.772 -2.184 1.00 0.00 C ATOM 397 CD GLN A 24 -10.237 10.589 -2.353 1.00 0.00 C ATOM 398 OE1 GLN A 24 -11.534 10.830 -2.200 1.00 0.00 O flip ATOM 399 NE2 GLN A 24 -9.797 9.470 -2.619 1.00 0.00 N flip ATOM 0 H GLN A 24 -10.557 10.885 -0.031 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.044 11.936 1.052 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.398 12.126 -1.282 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.043 10.522 -0.992 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.894 12.669 -1.995 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.762 11.937 -3.114 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.793 9.330 -2.728 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.437 8.684 -2.730 1.00 0.00 H new ATOM 408 N MET A 25 -10.039 13.935 1.220 1.00 0.00 N ATOM 409 CA MET A 25 -10.506 15.316 1.269 1.00 0.00 C ATOM 410 C MET A 25 -9.344 16.275 1.510 1.00 0.00 C ATOM 411 O MET A 25 -9.438 17.465 1.217 1.00 0.00 O ATOM 412 CB MET A 25 -11.556 15.483 2.369 1.00 0.00 C ATOM 413 CG MET A 25 -12.967 15.140 1.919 1.00 0.00 C ATOM 414 SD MET A 25 -13.641 16.350 0.764 1.00 0.00 S ATOM 415 CE MET A 25 -15.050 15.454 0.118 1.00 0.00 C ATOM 0 H MET A 25 -10.367 13.351 1.990 1.00 0.00 H new ATOM 0 HA MET A 25 -10.957 15.555 0.306 1.00 0.00 H new ATOM 0 HB2 MET A 25 -11.289 14.849 3.214 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.537 16.513 2.725 1.00 0.00 H new ATOM 0 HG2 MET A 25 -12.965 14.157 1.449 1.00 0.00 H new ATOM 0 HG3 MET A 25 -13.617 15.075 2.792 1.00 0.00 H new ATOM 0 HE1 MET A 25 -15.632 16.109 -0.530 1.00 0.00 H new ATOM 0 HE2 MET A 25 -14.703 14.593 -0.453 1.00 0.00 H new ATOM 0 HE3 MET A 25 -15.674 15.113 0.944 1.00 0.00 H new ATOM 425 N ASN A 26 -8.248 15.746 2.047 1.00 0.00 N ATOM 426 CA ASN A 26 -7.068 16.556 2.328 1.00 0.00 C ATOM 427 C ASN A 26 -7.380 17.630 3.366 1.00 0.00 C ATOM 428 O ASN A 26 -6.632 18.595 3.520 1.00 0.00 O ATOM 429 CB ASN A 26 -6.553 17.207 1.043 1.00 0.00 C ATOM 430 CG ASN A 26 -5.130 16.796 0.717 1.00 0.00 C ATOM 431 OD1 ASN A 26 -4.175 17.299 1.310 1.00 0.00 O ATOM 432 ND2 ASN A 26 -4.982 15.877 -0.230 1.00 0.00 N ATOM 0 H ASN A 26 -8.153 14.761 2.296 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.295 15.901 2.730 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.206 16.934 0.214 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.601 18.291 1.144 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.048 15.561 -0.492 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.802 15.487 -0.695 1.00 0.00 H new ATOM 439 N SER A 27 -8.490 17.454 4.076 1.00 0.00 N ATOM 440 CA SER A 27 -8.903 18.409 5.098 1.00 0.00 C ATOM 441 C SER A 27 -8.954 17.748 6.472 1.00 0.00 C ATOM 442 O SER A 27 -8.048 17.916 7.287 1.00 0.00 O ATOM 443 CB SER A 27 -10.272 18.998 4.752 1.00 0.00 C ATOM 444 OG SER A 27 -10.210 19.772 3.566 1.00 0.00 O ATOM 0 H SER A 27 -9.119 16.659 3.962 1.00 0.00 H new ATOM 0 HA SER A 27 -8.166 19.212 5.128 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.996 18.193 4.627 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.623 19.618 5.577 1.00 0.00 H new ATOM 0 HG SER A 27 -11.098 20.136 3.366 1.00 0.00 H new ATOM 450 N ASN A 28 -10.020 16.995 6.720 1.00 0.00 N ATOM 451 CA ASN A 28 -10.190 16.308 7.995 1.00 0.00 C ATOM 452 C ASN A 28 -11.004 15.029 7.819 1.00 0.00 C ATOM 453 O ASN A 28 -11.676 14.843 6.805 1.00 0.00 O ATOM 454 CB ASN A 28 -10.877 17.228 9.006 1.00 0.00 C ATOM 455 CG ASN A 28 -9.889 18.097 9.761 1.00 0.00 C ATOM 456 OD1 ASN A 28 -9.290 17.663 10.745 1.00 0.00 O ATOM 457 ND2 ASN A 28 -9.716 19.331 9.302 1.00 0.00 N ATOM 0 H ASN A 28 -10.779 16.845 6.055 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.202 16.040 8.370 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.593 17.864 8.486 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.443 16.625 9.716 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.065 19.962 9.769 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.234 19.648 8.483 1.00 0.00 H new ATOM 464 N PHE A 29 -10.939 14.152 8.815 1.00 0.00 N ATOM 465 CA PHE A 29 -11.670 12.890 8.771 1.00 0.00 C ATOM 466 C PHE A 29 -12.949 12.973 9.600 1.00 0.00 C ATOM 467 O PHE A 29 -13.954 12.338 9.278 1.00 0.00 O ATOM 468 CB PHE A 29 -10.790 11.749 9.284 1.00 0.00 C ATOM 469 CG PHE A 29 -10.128 10.963 8.188 1.00 0.00 C ATOM 470 CD1 PHE A 29 -9.276 11.584 7.290 1.00 0.00 C ATOM 471 CD2 PHE A 29 -10.358 9.603 8.057 1.00 0.00 C ATOM 472 CE1 PHE A 29 -8.665 10.864 6.280 1.00 0.00 C ATOM 473 CE2 PHE A 29 -9.750 8.878 7.050 1.00 0.00 C ATOM 474 CZ PHE A 29 -8.903 9.509 6.160 1.00 0.00 C ATOM 0 H PHE A 29 -10.388 14.291 9.662 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.942 12.692 7.734 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -10.023 12.160 9.940 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.398 11.075 9.887 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.087 12.643 7.380 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.020 9.104 8.750 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.003 11.360 5.586 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.937 7.818 6.959 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.428 8.944 5.372 1.00 0.00 H new ATOM 484 N THR A 30 -12.903 13.760 10.670 1.00 0.00 N ATOM 485 CA THR A 30 -14.056 13.926 11.546 1.00 0.00 C ATOM 486 C THR A 30 -14.461 15.392 11.652 1.00 0.00 C ATOM 487 O THR A 30 -15.336 15.750 12.440 1.00 0.00 O ATOM 488 CB THR A 30 -13.771 13.381 12.959 1.00 0.00 C ATOM 489 OG1 THR A 30 -14.980 13.350 13.725 1.00 0.00 O ATOM 490 CG2 THR A 30 -12.735 14.238 13.670 1.00 0.00 C ATOM 0 H THR A 30 -12.080 14.293 10.951 1.00 0.00 H new ATOM 0 HA THR A 30 -14.873 13.358 11.102 1.00 0.00 H new ATOM 0 HB THR A 30 -13.377 12.369 12.862 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.465 14.193 13.605 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.550 13.834 14.665 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.807 14.235 13.099 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.105 15.260 13.756 1.00 0.00 H new ATOM 498 N LYS A 31 -13.820 16.236 10.851 1.00 0.00 N ATOM 499 CA LYS A 31 -14.114 17.665 10.852 1.00 0.00 C ATOM 500 C LYS A 31 -14.571 18.127 9.472 1.00 0.00 C ATOM 501 O LYS A 31 -15.407 19.022 9.353 1.00 0.00 O ATOM 502 CB LYS A 31 -12.881 18.460 11.286 1.00 0.00 C ATOM 503 CG LYS A 31 -11.946 17.684 12.198 1.00 0.00 C ATOM 504 CD LYS A 31 -11.071 18.614 13.021 1.00 0.00 C ATOM 505 CE LYS A 31 -11.781 19.075 14.285 1.00 0.00 C ATOM 506 NZ LYS A 31 -10.853 19.146 15.447 1.00 0.00 N ATOM 0 H LYS A 31 -13.093 15.956 10.192 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.922 17.844 11.562 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.331 18.775 10.399 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.205 19.366 11.798 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.530 17.049 12.864 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.316 17.025 11.600 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.146 18.103 13.288 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.795 19.481 12.421 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.226 20.055 14.115 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.597 18.390 14.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.374 19.464 16.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.448 18.205 15.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.088 19.819 15.239 1.00 0.00 H new ATOM 520 N ASP A 32 -14.018 17.510 8.434 1.00 0.00 N ATOM 521 CA ASP A 32 -14.371 17.857 7.062 1.00 0.00 C ATOM 522 C ASP A 32 -15.668 17.171 6.644 1.00 0.00 C ATOM 523 O ASP A 32 -16.443 17.713 5.856 1.00 0.00 O ATOM 524 CB ASP A 32 -13.242 17.464 6.108 1.00 0.00 C ATOM 525 CG ASP A 32 -13.463 17.988 4.702 1.00 0.00 C ATOM 526 OD1 ASP A 32 -13.170 19.177 4.459 1.00 0.00 O ATOM 527 OD2 ASP A 32 -13.929 17.208 3.846 1.00 0.00 O ATOM 0 H ASP A 32 -13.324 16.767 8.516 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.520 18.936 7.013 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.296 17.848 6.491 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.157 16.378 6.079 1.00 0.00 H new ATOM 532 N LEU A 33 -15.897 15.975 7.177 1.00 0.00 N ATOM 533 CA LEU A 33 -17.100 15.214 6.859 1.00 0.00 C ATOM 534 C LEU A 33 -17.940 14.976 8.110 1.00 0.00 C ATOM 535 O LEU A 33 -19.166 14.906 8.042 1.00 0.00 O ATOM 536 CB LEU A 33 -16.726 13.875 6.220 1.00 0.00 C ATOM 537 CG LEU A 33 -15.547 13.135 6.853 1.00 0.00 C ATOM 538 CD1 LEU A 33 -15.977 11.757 7.330 1.00 0.00 C ATOM 539 CD2 LEU A 33 -14.395 13.024 5.865 1.00 0.00 C ATOM 0 H LEU A 33 -15.266 15.512 7.831 1.00 0.00 H new ATOM 0 HA LEU A 33 -17.691 15.795 6.151 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -17.599 13.223 6.254 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -16.498 14.048 5.168 1.00 0.00 H new ATOM 0 HG LEU A 33 -15.205 13.706 7.716 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -15.125 11.245 7.778 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.769 11.859 8.071 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.345 11.177 6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.565 12.495 6.332 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.724 12.476 4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.070 14.022 5.572 1.00 0.00 H new ATOM 551 N GLY A 34 -17.270 14.854 9.252 1.00 0.00 N ATOM 552 CA GLY A 34 -17.971 14.627 10.502 1.00 0.00 C ATOM 553 C GLY A 34 -18.947 13.470 10.418 1.00 0.00 C ATOM 554 O GLY A 34 -20.123 13.616 10.751 1.00 0.00 O ATOM 0 H GLY A 34 -16.255 14.908 9.334 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.245 14.430 11.291 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.509 15.532 10.783 1.00 0.00 H new ATOM 558 N ALA A 35 -18.460 12.318 9.970 1.00 0.00 N ATOM 559 CA ALA A 35 -19.298 11.132 9.843 1.00 0.00 C ATOM 560 C ALA A 35 -19.890 10.731 11.190 1.00 0.00 C ATOM 561 O ALA A 35 -21.067 10.973 11.458 1.00 0.00 O ATOM 562 CB ALA A 35 -18.497 9.981 9.253 1.00 0.00 C ATOM 0 H ALA A 35 -17.489 12.181 9.689 1.00 0.00 H new ATOM 0 HA ALA A 35 -20.122 11.370 9.170 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -19.135 9.102 9.164 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -18.127 10.263 8.267 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -17.654 9.753 9.905 1.00 0.00 H new ATOM 568 N ASP A 36 -19.067 10.117 12.033 1.00 0.00 N ATOM 569 CA ASP A 36 -19.510 9.683 13.353 1.00 0.00 C ATOM 570 C ASP A 36 -18.353 9.079 14.143 1.00 0.00 C ATOM 571 O ASP A 36 -17.716 8.107 13.742 1.00 0.00 O ATOM 572 CB ASP A 36 -20.644 8.665 13.225 1.00 0.00 C ATOM 573 CG ASP A 36 -21.930 9.146 13.866 1.00 0.00 C ATOM 574 OD1 ASP A 36 -22.618 9.992 13.256 1.00 0.00 O ATOM 575 OD2 ASP A 36 -22.251 8.677 14.978 1.00 0.00 O ATOM 0 H ASP A 36 -18.090 9.909 11.826 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.877 10.557 13.892 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -20.823 8.456 12.170 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -20.340 7.727 13.688 1.00 0.00 H new ATOM 580 N SER A 37 -18.061 9.670 15.314 1.00 0.00 N ATOM 581 CA SER A 37 -16.983 9.274 16.248 1.00 0.00 C ATOM 582 C SER A 37 -16.840 7.748 16.376 1.00 0.00 C ATOM 583 O SER A 37 -15.738 7.197 16.370 1.00 0.00 O ATOM 584 CB SER A 37 -17.296 9.932 17.601 1.00 0.00 C ATOM 585 OG SER A 37 -18.490 9.394 18.171 1.00 0.00 O ATOM 0 H SER A 37 -18.591 10.473 15.654 1.00 0.00 H new ATOM 0 HA SER A 37 -16.020 9.614 15.866 1.00 0.00 H new ATOM 0 HB2 SER A 37 -16.462 9.778 18.285 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.406 11.008 17.469 1.00 0.00 H new ATOM 0 HG SER A 37 -18.666 9.828 19.032 1.00 0.00 H new ATOM 590 N LEU A 38 -17.982 7.078 16.494 1.00 0.00 N ATOM 591 CA LEU A 38 -18.007 5.626 16.625 1.00 0.00 C ATOM 592 C LEU A 38 -17.322 4.959 15.437 1.00 0.00 C ATOM 593 O LEU A 38 -16.451 4.106 15.608 1.00 0.00 O ATOM 594 CB LEU A 38 -19.449 5.129 16.741 1.00 0.00 C ATOM 595 CG LEU A 38 -20.342 5.885 17.725 1.00 0.00 C ATOM 596 CD1 LEU A 38 -21.182 6.922 16.996 1.00 0.00 C ATOM 597 CD2 LEU A 38 -21.233 4.916 18.490 1.00 0.00 C ATOM 0 H LEU A 38 -18.902 7.518 16.502 1.00 0.00 H new ATOM 0 HA LEU A 38 -17.463 5.359 17.531 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -19.909 5.176 15.754 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.428 4.079 17.033 1.00 0.00 H new ATOM 0 HG LEU A 38 -19.704 6.403 18.441 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -21.811 7.450 17.713 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.526 7.634 16.495 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.811 6.426 16.257 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -21.862 5.472 19.186 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -21.863 4.370 17.788 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -20.613 4.212 19.045 1.00 0.00 H new ATOM 609 N ASP A 39 -17.719 5.356 14.233 1.00 0.00 N ATOM 610 CA ASP A 39 -17.141 4.799 13.015 1.00 0.00 C ATOM 611 C ASP A 39 -15.698 5.262 12.838 1.00 0.00 C ATOM 612 O ASP A 39 -14.803 4.454 12.584 1.00 0.00 O ATOM 613 CB ASP A 39 -17.973 5.207 11.798 1.00 0.00 C ATOM 614 CG ASP A 39 -19.424 4.787 11.922 1.00 0.00 C ATOM 615 OD1 ASP A 39 -19.703 3.825 12.668 1.00 0.00 O ATOM 616 OD2 ASP A 39 -20.282 5.422 11.274 1.00 0.00 O ATOM 0 H ASP A 39 -18.439 6.061 14.074 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.147 3.713 13.102 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -17.920 6.288 11.671 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -17.544 4.760 10.901 1.00 0.00 H new ATOM 621 N LEU A 40 -15.479 6.565 12.972 1.00 0.00 N ATOM 622 CA LEU A 40 -14.144 7.136 12.826 1.00 0.00 C ATOM 623 C LEU A 40 -13.151 6.440 13.751 1.00 0.00 C ATOM 624 O LEU A 40 -12.102 5.969 13.311 1.00 0.00 O ATOM 625 CB LEU A 40 -14.174 8.635 13.126 1.00 0.00 C ATOM 626 CG LEU A 40 -13.779 9.558 11.973 1.00 0.00 C ATOM 627 CD1 LEU A 40 -12.288 9.454 11.693 1.00 0.00 C ATOM 628 CD2 LEU A 40 -14.583 9.226 10.724 1.00 0.00 C ATOM 0 H LEU A 40 -16.208 7.247 13.182 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.821 6.985 11.796 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -15.181 8.900 13.449 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.508 8.831 13.966 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.003 10.585 12.262 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.025 10.118 10.869 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.730 9.742 12.584 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.039 8.427 11.425 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -14.288 9.893 9.914 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -14.392 8.193 10.432 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -15.646 9.353 10.931 1.00 0.00 H new ATOM 640 N VAL A 41 -13.489 6.377 15.035 1.00 0.00 N ATOM 641 CA VAL A 41 -12.628 5.736 16.022 1.00 0.00 C ATOM 642 C VAL A 41 -12.531 4.235 15.773 1.00 0.00 C ATOM 643 O VAL A 41 -11.543 3.599 16.139 1.00 0.00 O ATOM 644 CB VAL A 41 -13.141 5.976 17.454 1.00 0.00 C ATOM 645 CG1 VAL A 41 -12.258 5.260 18.465 1.00 0.00 C ATOM 646 CG2 VAL A 41 -13.208 7.466 17.753 1.00 0.00 C ATOM 0 H VAL A 41 -14.353 6.762 15.416 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.639 6.183 15.919 1.00 0.00 H new ATOM 0 HB VAL A 41 -14.148 5.567 17.534 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -12.636 5.441 19.471 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -12.266 4.189 18.262 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.238 5.636 18.388 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.573 7.617 18.769 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -12.214 7.902 17.656 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.886 7.948 17.049 1.00 0.00 H new ATOM 656 N GLU A 42 -13.563 3.676 15.149 1.00 0.00 N ATOM 657 CA GLU A 42 -13.593 2.248 14.852 1.00 0.00 C ATOM 658 C GLU A 42 -12.648 1.912 13.702 1.00 0.00 C ATOM 659 O GLU A 42 -11.647 1.219 13.888 1.00 0.00 O ATOM 660 CB GLU A 42 -15.016 1.807 14.504 1.00 0.00 C ATOM 661 CG GLU A 42 -15.801 1.287 15.696 1.00 0.00 C ATOM 662 CD GLU A 42 -17.233 0.934 15.343 1.00 0.00 C ATOM 663 OE1 GLU A 42 -18.041 1.866 15.145 1.00 0.00 O ATOM 664 OE2 GLU A 42 -17.545 -0.272 15.265 1.00 0.00 O ATOM 0 H GLU A 42 -14.388 4.189 14.840 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.261 1.711 15.740 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -15.552 2.650 14.067 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.970 1.029 13.742 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.302 0.405 16.098 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.800 2.041 16.483 1.00 0.00 H new ATOM 671 N LEU A 43 -12.974 2.406 12.513 1.00 0.00 N ATOM 672 CA LEU A 43 -12.156 2.158 11.331 1.00 0.00 C ATOM 673 C LEU A 43 -10.681 2.409 11.627 1.00 0.00 C ATOM 674 O LEU A 43 -9.812 1.662 11.177 1.00 0.00 O ATOM 675 CB LEU A 43 -12.615 3.048 10.173 1.00 0.00 C ATOM 676 CG LEU A 43 -12.456 4.554 10.382 1.00 0.00 C ATOM 677 CD1 LEU A 43 -11.177 5.052 9.727 1.00 0.00 C ATOM 678 CD2 LEU A 43 -13.664 5.299 9.830 1.00 0.00 C ATOM 0 H LEU A 43 -13.799 2.981 12.342 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.278 1.112 11.048 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.058 2.764 9.280 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.666 2.838 9.974 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.391 4.748 11.453 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.081 6.126 9.886 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.320 4.542 10.167 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.212 4.846 8.657 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.534 6.370 9.987 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.759 5.098 8.763 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.565 4.963 10.344 1.00 0.00 H new ATOM 690 N ILE A 44 -10.407 3.464 12.387 1.00 0.00 N ATOM 691 CA ILE A 44 -9.038 3.811 12.745 1.00 0.00 C ATOM 692 C ILE A 44 -8.399 2.719 13.596 1.00 0.00 C ATOM 693 O ILE A 44 -7.292 2.263 13.310 1.00 0.00 O ATOM 694 CB ILE A 44 -8.977 5.145 13.513 1.00 0.00 C ATOM 695 CG1 ILE A 44 -9.341 6.308 12.587 1.00 0.00 C ATOM 696 CG2 ILE A 44 -7.594 5.350 14.111 1.00 0.00 C ATOM 697 CD1 ILE A 44 -9.653 7.592 13.323 1.00 0.00 C ATOM 0 H ILE A 44 -11.115 4.093 12.766 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.484 3.913 11.812 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.701 5.112 14.327 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.515 6.485 11.898 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.204 6.025 11.984 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.567 6.297 14.650 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.370 4.534 14.799 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.851 5.366 13.313 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.902 8.372 12.604 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.498 7.432 13.992 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.783 7.899 13.904 1.00 0.00 H new ATOM 709 N MET A 45 -9.105 2.303 14.642 1.00 0.00 N ATOM 710 CA MET A 45 -8.607 1.261 15.534 1.00 0.00 C ATOM 711 C MET A 45 -8.157 0.037 14.742 1.00 0.00 C ATOM 712 O MET A 45 -7.230 -0.666 15.142 1.00 0.00 O ATOM 713 CB MET A 45 -9.688 0.862 16.540 1.00 0.00 C ATOM 714 CG MET A 45 -10.398 -0.435 16.188 1.00 0.00 C ATOM 715 SD MET A 45 -11.864 -0.721 17.199 1.00 0.00 S ATOM 716 CE MET A 45 -11.769 -2.494 17.438 1.00 0.00 C ATOM 0 H MET A 45 -10.023 2.671 14.893 1.00 0.00 H new ATOM 0 HA MET A 45 -7.748 1.659 16.073 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.235 0.762 17.527 1.00 0.00 H new ATOM 0 HB3 MET A 45 -10.424 1.663 16.606 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.685 -0.414 15.137 1.00 0.00 H new ATOM 0 HG3 MET A 45 -9.707 -1.269 16.313 1.00 0.00 H new ATOM 0 HE1 MET A 45 -12.611 -2.825 18.047 1.00 0.00 H new ATOM 0 HE2 MET A 45 -11.803 -2.994 16.470 1.00 0.00 H new ATOM 0 HE3 MET A 45 -10.836 -2.744 17.943 1.00 0.00 H new ATOM 726 N ALA A 46 -8.821 -0.211 13.617 1.00 0.00 N ATOM 727 CA ALA A 46 -8.488 -1.349 12.769 1.00 0.00 C ATOM 728 C ALA A 46 -7.233 -1.073 11.948 1.00 0.00 C ATOM 729 O ALA A 46 -6.382 -1.948 11.781 1.00 0.00 O ATOM 730 CB ALA A 46 -9.656 -1.685 11.854 1.00 0.00 C ATOM 0 H ALA A 46 -9.592 0.361 13.272 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.288 -2.205 13.414 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.393 -2.537 11.226 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.530 -1.934 12.456 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.883 -0.826 11.223 1.00 0.00 H new ATOM 736 N LEU A 47 -7.123 0.149 11.437 1.00 0.00 N ATOM 737 CA LEU A 47 -5.972 0.540 10.631 1.00 0.00 C ATOM 738 C LEU A 47 -4.668 0.252 11.369 1.00 0.00 C ATOM 739 O LEU A 47 -3.760 -0.373 10.822 1.00 0.00 O ATOM 740 CB LEU A 47 -6.053 2.027 10.279 1.00 0.00 C ATOM 741 CG LEU A 47 -5.514 2.420 8.903 1.00 0.00 C ATOM 742 CD1 LEU A 47 -5.695 3.912 8.666 1.00 0.00 C ATOM 743 CD2 LEU A 47 -4.048 2.032 8.774 1.00 0.00 C ATOM 0 H LEU A 47 -7.817 0.885 11.567 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.986 -0.047 9.712 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.096 2.339 10.341 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.506 2.590 11.036 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.080 1.880 8.144 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.306 4.174 7.682 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.755 4.162 8.716 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.154 4.470 9.430 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.681 2.319 7.789 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.467 2.544 9.541 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.944 0.954 8.900 1.00 0.00 H new ATOM 755 N GLU A 48 -4.585 0.710 12.614 1.00 0.00 N ATOM 756 CA GLU A 48 -3.392 0.499 13.427 1.00 0.00 C ATOM 757 C GLU A 48 -3.260 -0.967 13.830 1.00 0.00 C ATOM 758 O GLU A 48 -2.171 -1.537 13.786 1.00 0.00 O ATOM 759 CB GLU A 48 -3.437 1.381 14.676 1.00 0.00 C ATOM 760 CG GLU A 48 -4.678 1.169 15.527 1.00 0.00 C ATOM 761 CD GLU A 48 -4.444 0.199 16.669 1.00 0.00 C ATOM 762 OE1 GLU A 48 -3.401 0.318 17.345 1.00 0.00 O ATOM 763 OE2 GLU A 48 -5.305 -0.680 16.886 1.00 0.00 O ATOM 0 H GLU A 48 -5.328 1.229 13.082 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.523 0.773 12.829 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.553 1.183 15.282 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.389 2.427 14.374 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.005 2.127 15.931 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.486 0.795 14.898 1.00 0.00 H new ATOM 770 N GLU A 49 -4.378 -1.569 14.222 1.00 0.00 N ATOM 771 CA GLU A 49 -4.387 -2.968 14.634 1.00 0.00 C ATOM 772 C GLU A 49 -3.714 -3.849 13.585 1.00 0.00 C ATOM 773 O GLU A 49 -3.117 -4.875 13.910 1.00 0.00 O ATOM 774 CB GLU A 49 -5.822 -3.444 14.871 1.00 0.00 C ATOM 775 CG GLU A 49 -5.912 -4.856 15.425 1.00 0.00 C ATOM 776 CD GLU A 49 -6.877 -4.966 16.589 1.00 0.00 C ATOM 777 OE1 GLU A 49 -6.784 -4.135 17.516 1.00 0.00 O ATOM 778 OE2 GLU A 49 -7.725 -5.883 16.572 1.00 0.00 O ATOM 0 H GLU A 49 -5.288 -1.111 14.263 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.826 -3.049 15.565 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.313 -2.760 15.563 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.372 -3.396 13.931 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.227 -5.534 14.632 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.922 -5.180 15.747 1.00 0.00 H new ATOM 785 N LYS A 50 -3.815 -3.440 12.325 1.00 0.00 N ATOM 786 CA LYS A 50 -3.217 -4.189 11.227 1.00 0.00 C ATOM 787 C LYS A 50 -1.753 -3.803 11.039 1.00 0.00 C ATOM 788 O LYS A 50 -0.895 -4.663 10.837 1.00 0.00 O ATOM 789 CB LYS A 50 -3.991 -3.940 9.931 1.00 0.00 C ATOM 790 CG LYS A 50 -3.219 -4.318 8.678 1.00 0.00 C ATOM 791 CD LYS A 50 -2.693 -5.742 8.756 1.00 0.00 C ATOM 792 CE LYS A 50 -3.046 -6.536 7.508 1.00 0.00 C ATOM 793 NZ LYS A 50 -3.271 -7.976 7.812 1.00 0.00 N ATOM 0 H LYS A 50 -4.306 -2.593 12.039 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.266 -5.249 11.474 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.922 -4.507 9.959 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.262 -2.886 9.876 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.865 -4.215 7.806 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.386 -3.628 8.541 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.611 -5.725 8.883 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.109 -6.237 9.633 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.943 -6.117 7.052 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.243 -6.440 6.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.509 -8.483 6.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.407 -8.383 8.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.054 -8.069 8.490 1.00 0.00 H new ATOM 807 N PHE A 51 -1.474 -2.506 11.108 1.00 0.00 N ATOM 808 CA PHE A 51 -0.114 -2.007 10.946 1.00 0.00 C ATOM 809 C PHE A 51 0.771 -2.452 12.106 1.00 0.00 C ATOM 810 O PHE A 51 1.997 -2.392 12.025 1.00 0.00 O ATOM 811 CB PHE A 51 -0.117 -0.480 10.848 1.00 0.00 C ATOM 812 CG PHE A 51 -0.132 0.031 9.436 1.00 0.00 C ATOM 813 CD1 PHE A 51 0.740 -0.483 8.490 1.00 0.00 C ATOM 814 CD2 PHE A 51 -1.018 1.025 9.054 1.00 0.00 C ATOM 815 CE1 PHE A 51 0.728 -0.015 7.190 1.00 0.00 C ATOM 816 CE2 PHE A 51 -1.035 1.498 7.755 1.00 0.00 C ATOM 817 CZ PHE A 51 -0.161 0.976 6.822 1.00 0.00 C ATOM 0 H PHE A 51 -2.172 -1.781 11.275 1.00 0.00 H new ATOM 0 HA PHE A 51 0.291 -2.423 10.023 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.988 -0.092 11.375 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.764 -0.090 11.358 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.437 -1.258 8.772 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.704 1.436 9.780 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.413 -0.424 6.462 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.730 2.274 7.471 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.173 1.342 5.806 1.00 0.00 H new ATOM 827 N ASN A 52 0.139 -2.898 13.187 1.00 0.00 N ATOM 828 CA ASN A 52 0.867 -3.353 14.366 1.00 0.00 C ATOM 829 C ASN A 52 1.584 -2.189 15.044 1.00 0.00 C ATOM 830 O ASN A 52 2.756 -2.295 15.408 1.00 0.00 O ATOM 831 CB ASN A 52 1.879 -4.435 13.980 1.00 0.00 C ATOM 832 CG ASN A 52 2.355 -5.234 15.177 1.00 0.00 C ATOM 833 OD1 ASN A 52 3.363 -4.898 15.800 1.00 0.00 O ATOM 834 ND2 ASN A 52 1.631 -6.297 15.505 1.00 0.00 N ATOM 0 H ASN A 52 -0.876 -2.954 13.271 1.00 0.00 H new ATOM 0 HA ASN A 52 0.147 -3.773 15.068 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.426 -5.109 13.253 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.736 -3.970 13.493 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.903 -6.873 16.302 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.803 -6.538 14.960 1.00 0.00 H new ATOM 841 N VAL A 53 0.873 -1.079 15.211 1.00 0.00 N ATOM 842 CA VAL A 53 1.440 0.104 15.848 1.00 0.00 C ATOM 843 C VAL A 53 0.685 0.456 17.125 1.00 0.00 C ATOM 844 O VAL A 53 -0.301 -0.193 17.476 1.00 0.00 O ATOM 845 CB VAL A 53 1.415 1.317 14.899 1.00 0.00 C ATOM 846 CG1 VAL A 53 2.767 1.494 14.223 1.00 0.00 C ATOM 847 CG2 VAL A 53 0.309 1.163 13.866 1.00 0.00 C ATOM 0 H VAL A 53 -0.097 -0.974 14.914 1.00 0.00 H new ATOM 0 HA VAL A 53 2.474 -0.134 16.095 1.00 0.00 H new ATOM 0 HB VAL A 53 1.209 2.212 15.486 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.730 2.356 13.556 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.534 1.654 14.980 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.006 0.600 13.647 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.306 2.029 13.204 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.481 0.260 13.281 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.654 1.090 14.372 1.00 0.00 H new ATOM 857 N THR A 54 1.155 1.489 17.817 1.00 0.00 N ATOM 858 CA THR A 54 0.525 1.928 19.056 1.00 0.00 C ATOM 859 C THR A 54 0.132 3.398 18.983 1.00 0.00 C ATOM 860 O THR A 54 0.922 4.280 19.323 1.00 0.00 O ATOM 861 CB THR A 54 1.457 1.717 20.265 1.00 0.00 C ATOM 862 OG1 THR A 54 1.956 0.375 20.271 1.00 0.00 O ATOM 863 CG2 THR A 54 0.724 1.997 21.568 1.00 0.00 C ATOM 0 H THR A 54 1.970 2.037 17.541 1.00 0.00 H new ATOM 0 HA THR A 54 -0.371 1.322 19.186 1.00 0.00 H new ATOM 0 HB THR A 54 2.291 2.413 20.179 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.549 0.250 21.041 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.402 1.842 22.407 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.371 3.028 21.573 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.127 1.322 21.659 1.00 0.00 H new ATOM 871 N ILE A 55 -1.092 3.657 18.536 1.00 0.00 N ATOM 872 CA ILE A 55 -1.590 5.022 18.420 1.00 0.00 C ATOM 873 C ILE A 55 -2.988 5.150 19.015 1.00 0.00 C ATOM 874 O ILE A 55 -3.685 4.153 19.210 1.00 0.00 O ATOM 875 CB ILE A 55 -1.625 5.485 16.952 1.00 0.00 C ATOM 876 CG1 ILE A 55 -0.593 4.714 16.126 1.00 0.00 C ATOM 877 CG2 ILE A 55 -1.372 6.983 16.863 1.00 0.00 C ATOM 878 CD1 ILE A 55 -1.123 3.419 15.553 1.00 0.00 C ATOM 0 H ILE A 55 -1.757 2.939 18.248 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.901 5.657 18.977 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.615 5.279 16.545 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.246 5.348 15.310 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.273 4.498 16.752 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.400 7.295 15.819 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.141 7.516 17.422 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.393 7.212 17.284 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.338 2.926 14.980 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.444 2.766 16.365 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.970 3.630 14.901 1.00 0.00 H new ATOM 890 N SER A 56 -3.394 6.383 19.301 1.00 0.00 N ATOM 891 CA SER A 56 -4.709 6.642 19.876 1.00 0.00 C ATOM 892 C SER A 56 -4.921 8.136 20.096 1.00 0.00 C ATOM 893 O SER A 56 -5.860 8.726 19.563 1.00 0.00 O ATOM 894 CB SER A 56 -4.866 5.892 21.200 1.00 0.00 C ATOM 895 OG SER A 56 -5.678 4.742 21.042 1.00 0.00 O ATOM 0 H SER A 56 -2.831 7.219 19.144 1.00 0.00 H new ATOM 0 HA SER A 56 -5.462 6.286 19.173 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.885 5.600 21.574 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.308 6.553 21.946 1.00 0.00 H new ATOM 0 HG SER A 56 -5.282 4.152 20.367 1.00 0.00 H new ATOM 901 N ASP A 57 -4.041 8.742 20.885 1.00 0.00 N ATOM 902 CA ASP A 57 -4.130 10.168 21.177 1.00 0.00 C ATOM 903 C ASP A 57 -3.510 10.992 20.052 1.00 0.00 C ATOM 904 O ASP A 57 -3.475 12.221 20.117 1.00 0.00 O ATOM 905 CB ASP A 57 -3.432 10.485 22.501 1.00 0.00 C ATOM 906 CG ASP A 57 -4.325 10.233 23.700 1.00 0.00 C ATOM 907 OD1 ASP A 57 -5.233 9.381 23.596 1.00 0.00 O ATOM 908 OD2 ASP A 57 -4.116 10.887 24.743 1.00 0.00 O ATOM 0 H ASP A 57 -3.257 8.268 21.334 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.184 10.431 21.259 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.531 9.877 22.588 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.114 11.528 22.501 1.00 0.00 H new ATOM 913 N GLN A 58 -3.023 10.307 19.023 1.00 0.00 N ATOM 914 CA GLN A 58 -2.403 10.976 17.885 1.00 0.00 C ATOM 915 C GLN A 58 -3.186 10.707 16.603 1.00 0.00 C ATOM 916 O GLN A 58 -3.438 11.619 15.816 1.00 0.00 O ATOM 917 CB GLN A 58 -0.955 10.512 17.719 1.00 0.00 C ATOM 918 CG GLN A 58 -0.183 10.451 19.027 1.00 0.00 C ATOM 919 CD GLN A 58 -0.190 11.772 19.771 1.00 0.00 C ATOM 920 OE1 GLN A 58 -0.778 11.779 20.961 1.00 0.00 O flip ATOM 921 NE2 GLN A 58 0.327 12.777 19.280 1.00 0.00 N flip ATOM 0 H GLN A 58 -3.046 9.290 18.953 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.413 12.049 18.077 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.949 9.525 17.257 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.442 11.188 17.035 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.614 9.678 19.663 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.847 10.159 18.823 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.768 12.727 18.362 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.314 13.659 19.792 1.00 0.00 H new ATOM 930 N ASP A 59 -3.566 9.451 16.401 1.00 0.00 N ATOM 931 CA ASP A 59 -4.321 9.062 15.215 1.00 0.00 C ATOM 932 C ASP A 59 -5.642 9.820 15.139 1.00 0.00 C ATOM 933 O ASP A 59 -6.257 9.910 14.077 1.00 0.00 O ATOM 934 CB ASP A 59 -4.582 7.555 15.223 1.00 0.00 C ATOM 935 CG ASP A 59 -5.140 7.071 16.547 1.00 0.00 C ATOM 936 OD1 ASP A 59 -5.952 7.802 17.152 1.00 0.00 O ATOM 937 OD2 ASP A 59 -4.765 5.960 16.977 1.00 0.00 O ATOM 0 H ASP A 59 -3.364 8.684 17.043 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.727 9.315 14.337 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.281 7.306 14.425 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.653 7.027 15.009 1.00 0.00 H new ATOM 942 N ALA A 60 -6.074 10.362 16.273 1.00 0.00 N ATOM 943 CA ALA A 60 -7.322 11.113 16.335 1.00 0.00 C ATOM 944 C ALA A 60 -7.201 12.440 15.594 1.00 0.00 C ATOM 945 O ALA A 60 -8.197 13.127 15.363 1.00 0.00 O ATOM 946 CB ALA A 60 -7.724 11.350 17.783 1.00 0.00 C ATOM 0 H ALA A 60 -5.578 10.295 17.162 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.097 10.523 15.846 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.658 11.912 17.814 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.860 10.392 18.284 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.943 11.916 18.290 1.00 0.00 H new ATOM 952 N LEU A 61 -5.976 12.796 15.223 1.00 0.00 N ATOM 953 CA LEU A 61 -5.725 14.042 14.508 1.00 0.00 C ATOM 954 C LEU A 61 -4.506 13.913 13.600 1.00 0.00 C ATOM 955 O LEU A 61 -3.887 14.910 13.228 1.00 0.00 O ATOM 956 CB LEU A 61 -5.519 15.190 15.498 1.00 0.00 C ATOM 957 CG LEU A 61 -4.290 15.083 16.402 1.00 0.00 C ATOM 958 CD1 LEU A 61 -3.352 16.257 16.169 1.00 0.00 C ATOM 959 CD2 LEU A 61 -4.708 15.014 17.864 1.00 0.00 C ATOM 0 H LEU A 61 -5.141 12.239 15.406 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.595 14.258 13.888 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.452 16.121 14.935 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.405 15.262 16.129 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.758 14.165 16.153 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.483 16.164 16.821 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.026 16.262 15.129 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.873 17.189 16.390 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.821 14.938 18.493 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.263 15.915 18.127 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.340 14.140 18.021 1.00 0.00 H new ATOM 971 N LYS A 62 -4.167 12.679 13.245 1.00 0.00 N ATOM 972 CA LYS A 62 -3.024 12.417 12.378 1.00 0.00 C ATOM 973 C LYS A 62 -3.481 11.912 11.013 1.00 0.00 C ATOM 974 O LYS A 62 -2.755 12.024 10.025 1.00 0.00 O ATOM 975 CB LYS A 62 -2.090 11.394 13.027 1.00 0.00 C ATOM 976 CG LYS A 62 -0.828 12.006 13.610 1.00 0.00 C ATOM 977 CD LYS A 62 0.324 11.015 13.608 1.00 0.00 C ATOM 978 CE LYS A 62 1.047 10.999 14.947 1.00 0.00 C ATOM 979 NZ LYS A 62 2.526 10.962 14.778 1.00 0.00 N ATOM 0 H LYS A 62 -4.668 11.843 13.545 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.484 13.353 12.236 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.629 10.872 13.818 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.812 10.646 12.284 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.551 12.889 13.034 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.021 12.339 14.630 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.053 10.017 13.385 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.027 11.274 12.816 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.769 11.883 15.520 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.725 10.131 15.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.929 10.236 15.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.757 10.734 13.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.927 11.890 15.022 1.00 0.00 H new ATOM 993 N ILE A 63 -4.688 11.358 10.966 1.00 0.00 N ATOM 994 CA ILE A 63 -5.241 10.839 9.722 1.00 0.00 C ATOM 995 C ILE A 63 -6.192 11.844 9.081 1.00 0.00 C ATOM 996 O ILE A 63 -6.426 11.809 7.874 1.00 0.00 O ATOM 997 CB ILE A 63 -5.991 9.513 9.949 1.00 0.00 C ATOM 998 CG1 ILE A 63 -5.006 8.401 10.316 1.00 0.00 C ATOM 999 CG2 ILE A 63 -6.787 9.135 8.709 1.00 0.00 C ATOM 1000 CD1 ILE A 63 -4.551 8.448 11.758 1.00 0.00 C ATOM 0 H ILE A 63 -5.301 11.257 11.775 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.399 10.661 9.053 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.687 9.644 10.777 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.472 7.435 10.122 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.134 8.470 9.666 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.311 8.196 8.885 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.511 9.919 8.489 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.109 9.019 7.863 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.855 7.631 11.947 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.055 9.399 11.952 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.415 8.348 12.415 1.00 0.00 H new ATOM 1012 N ASN A 64 -6.735 12.740 9.898 1.00 0.00 N ATOM 1013 CA ASN A 64 -7.659 13.758 9.411 1.00 0.00 C ATOM 1014 C ASN A 64 -7.134 14.403 8.132 1.00 0.00 C ATOM 1015 O ASN A 64 -7.894 14.672 7.201 1.00 0.00 O ATOM 1016 CB ASN A 64 -7.883 14.828 10.481 1.00 0.00 C ATOM 1017 CG ASN A 64 -6.687 15.747 10.639 1.00 0.00 C ATOM 1018 OD1 ASN A 64 -5.522 15.163 10.896 1.00 0.00 O flip ATOM 1019 ND2 ASN A 64 -6.809 16.967 10.530 1.00 0.00 N flip ATOM 0 H ASN A 64 -6.551 12.782 10.900 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.609 13.273 9.188 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.761 15.420 10.221 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.095 14.345 11.435 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.724 17.372 10.332 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.995 17.573 10.638 1.00 0.00 H new ATOM 1026 N THR A 65 -5.828 14.648 8.093 1.00 0.00 N ATOM 1027 CA THR A 65 -5.200 15.262 6.930 1.00 0.00 C ATOM 1028 C THR A 65 -4.425 14.232 6.116 1.00 0.00 C ATOM 1029 O THR A 65 -3.528 13.565 6.632 1.00 0.00 O ATOM 1030 CB THR A 65 -4.245 16.398 7.342 1.00 0.00 C ATOM 1031 OG1 THR A 65 -2.973 15.857 7.718 1.00 0.00 O ATOM 1032 CG2 THR A 65 -4.823 17.200 8.498 1.00 0.00 C ATOM 0 H THR A 65 -5.185 14.430 8.854 1.00 0.00 H new ATOM 0 HA THR A 65 -6.002 15.675 6.319 1.00 0.00 H new ATOM 0 HB THR A 65 -4.118 17.063 6.488 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.267 16.501 7.502 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.130 17.996 8.771 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.776 17.635 8.198 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.977 16.544 9.355 1.00 0.00 H new ATOM 1040 N VAL A 66 -4.777 14.107 4.840 1.00 0.00 N ATOM 1041 CA VAL A 66 -4.113 13.159 3.954 1.00 0.00 C ATOM 1042 C VAL A 66 -2.598 13.235 4.103 1.00 0.00 C ATOM 1043 O VAL A 66 -1.897 12.237 3.937 1.00 0.00 O ATOM 1044 CB VAL A 66 -4.486 13.412 2.481 1.00 0.00 C ATOM 1045 CG1 VAL A 66 -3.689 12.497 1.563 1.00 0.00 C ATOM 1046 CG2 VAL A 66 -5.981 13.220 2.270 1.00 0.00 C ATOM 0 H VAL A 66 -5.518 14.650 4.397 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.454 12.165 4.242 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.236 14.444 2.233 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.966 12.690 0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.624 12.687 1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.905 11.457 1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.227 13.403 1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.258 12.200 2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.530 13.920 2.900 1.00 0.00 H new ATOM 1056 N GLN A 67 -2.099 14.427 4.417 1.00 0.00 N ATOM 1057 CA GLN A 67 -0.666 14.633 4.588 1.00 0.00 C ATOM 1058 C GLN A 67 -0.166 13.956 5.860 1.00 0.00 C ATOM 1059 O GLN A 67 0.774 13.163 5.824 1.00 0.00 O ATOM 1060 CB GLN A 67 -0.346 16.128 4.633 1.00 0.00 C ATOM 1061 CG GLN A 67 0.734 16.550 3.651 1.00 0.00 C ATOM 1062 CD GLN A 67 1.881 15.561 3.586 1.00 0.00 C ATOM 1063 OE1 GLN A 67 2.350 15.206 2.503 1.00 0.00 O ATOM 1064 NE2 GLN A 67 2.340 15.109 4.747 1.00 0.00 N ATOM 0 H GLN A 67 -2.666 15.263 4.558 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.156 14.185 3.735 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.255 16.692 4.424 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.031 16.393 5.642 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.296 16.658 2.659 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.119 17.529 3.938 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.922 15.430 5.620 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.111 14.441 4.766 1.00 0.00 H new ATOM 1073 N ASP A 68 -0.802 14.274 6.982 1.00 0.00 N ATOM 1074 CA ASP A 68 -0.423 13.696 8.266 1.00 0.00 C ATOM 1075 C ASP A 68 -0.621 12.183 8.261 1.00 0.00 C ATOM 1076 O ASP A 68 0.132 11.446 8.896 1.00 0.00 O ATOM 1077 CB ASP A 68 -1.240 14.326 9.395 1.00 0.00 C ATOM 1078 CG ASP A 68 -0.916 15.793 9.596 1.00 0.00 C ATOM 1079 OD1 ASP A 68 -0.077 16.324 8.839 1.00 0.00 O ATOM 1080 OD2 ASP A 68 -1.501 16.410 10.510 1.00 0.00 O ATOM 0 H ASP A 68 -1.583 14.929 7.028 1.00 0.00 H new ATOM 0 HA ASP A 68 0.634 13.906 8.433 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.302 14.219 9.174 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.051 13.785 10.322 1.00 0.00 H new ATOM 1085 N ALA A 69 -1.641 11.728 7.540 1.00 0.00 N ATOM 1086 CA ALA A 69 -1.938 10.304 7.451 1.00 0.00 C ATOM 1087 C ALA A 69 -0.771 9.537 6.838 1.00 0.00 C ATOM 1088 O ALA A 69 -0.205 8.643 7.468 1.00 0.00 O ATOM 1089 CB ALA A 69 -3.205 10.079 6.639 1.00 0.00 C ATOM 0 H ALA A 69 -2.275 12.325 7.009 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.096 9.927 8.462 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.415 9.011 6.581 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.041 10.587 7.120 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.068 10.477 5.634 1.00 0.00 H new ATOM 1095 N ILE A 70 -0.417 9.892 5.608 1.00 0.00 N ATOM 1096 CA ILE A 70 0.683 9.237 4.911 1.00 0.00 C ATOM 1097 C ILE A 70 1.983 9.359 5.698 1.00 0.00 C ATOM 1098 O ILE A 70 2.849 8.486 5.627 1.00 0.00 O ATOM 1099 CB ILE A 70 0.890 9.828 3.504 1.00 0.00 C ATOM 1100 CG1 ILE A 70 1.137 11.336 3.592 1.00 0.00 C ATOM 1101 CG2 ILE A 70 -0.314 9.533 2.623 1.00 0.00 C ATOM 1102 CD1 ILE A 70 1.218 12.015 2.243 1.00 0.00 C ATOM 0 H ILE A 70 -0.876 10.630 5.073 1.00 0.00 H new ATOM 0 HA ILE A 70 0.415 8.185 4.818 1.00 0.00 H new ATOM 0 HB ILE A 70 1.767 9.361 3.055 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.336 11.794 4.173 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.065 11.513 4.135 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.152 9.957 1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.448 8.455 2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.206 9.976 3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.394 13.082 2.383 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.037 11.584 1.667 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.281 11.869 1.706 1.00 0.00 H new ATOM 1114 N ASP A 71 2.113 10.447 6.450 1.00 0.00 N ATOM 1115 CA ASP A 71 3.306 10.683 7.254 1.00 0.00 C ATOM 1116 C ASP A 71 3.256 9.880 8.550 1.00 0.00 C ATOM 1117 O ASP A 71 4.285 9.632 9.179 1.00 0.00 O ATOM 1118 CB ASP A 71 3.449 12.173 7.568 1.00 0.00 C ATOM 1119 CG ASP A 71 4.890 12.641 7.508 1.00 0.00 C ATOM 1120 OD1 ASP A 71 5.578 12.321 6.515 1.00 0.00 O ATOM 1121 OD2 ASP A 71 5.329 13.329 8.453 1.00 0.00 O ATOM 0 H ASP A 71 1.406 11.179 6.519 1.00 0.00 H new ATOM 0 HA ASP A 71 4.172 10.356 6.679 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.853 12.749 6.860 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.046 12.373 8.561 1.00 0.00 H new ATOM 1126 N TYR A 72 2.053 9.477 8.944 1.00 0.00 N ATOM 1127 CA TYR A 72 1.868 8.705 10.167 1.00 0.00 C ATOM 1128 C TYR A 72 2.211 7.236 9.941 1.00 0.00 C ATOM 1129 O TYR A 72 2.733 6.564 10.832 1.00 0.00 O ATOM 1130 CB TYR A 72 0.427 8.833 10.663 1.00 0.00 C ATOM 1131 CG TYR A 72 -0.228 7.506 10.970 1.00 0.00 C ATOM 1132 CD1 TYR A 72 0.104 6.793 12.115 1.00 0.00 C ATOM 1133 CD2 TYR A 72 -1.180 6.965 10.114 1.00 0.00 C ATOM 1134 CE1 TYR A 72 -0.492 5.579 12.399 1.00 0.00 C ATOM 1135 CE2 TYR A 72 -1.782 5.752 10.391 1.00 0.00 C ATOM 1136 CZ TYR A 72 -1.435 5.063 11.534 1.00 0.00 C ATOM 1137 OH TYR A 72 -2.031 3.855 11.814 1.00 0.00 O ATOM 0 H TYR A 72 1.191 9.672 8.434 1.00 0.00 H new ATOM 0 HA TYR A 72 2.543 9.105 10.924 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.414 9.451 11.561 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.163 9.354 9.909 1.00 0.00 H new ATOM 0 HD1 TYR A 72 0.841 7.194 12.795 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.454 7.501 9.217 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.221 5.037 13.293 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.520 5.346 9.716 1.00 0.00 H new ATOM 0 HH TYR A 72 -2.827 3.745 11.253 1.00 0.00 H new ATOM 1147 N ILE A 73 1.915 6.743 8.743 1.00 0.00 N ATOM 1148 CA ILE A 73 2.193 5.355 8.398 1.00 0.00 C ATOM 1149 C ILE A 73 3.641 5.178 7.953 1.00 0.00 C ATOM 1150 O ILE A 73 4.234 4.116 8.143 1.00 0.00 O ATOM 1151 CB ILE A 73 1.260 4.854 7.280 1.00 0.00 C ATOM 1152 CG1 ILE A 73 1.633 5.504 5.946 1.00 0.00 C ATOM 1153 CG2 ILE A 73 -0.191 5.148 7.630 1.00 0.00 C ATOM 1154 CD1 ILE A 73 2.575 4.667 5.109 1.00 0.00 C ATOM 0 H ILE A 73 1.482 7.285 7.995 1.00 0.00 H new ATOM 0 HA ILE A 73 2.017 4.766 9.298 1.00 0.00 H new ATOM 0 HB ILE A 73 1.379 3.775 7.184 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.723 5.693 5.376 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.094 6.472 6.139 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.838 4.788 6.830 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.450 4.644 8.561 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.326 6.223 7.750 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.796 5.189 4.178 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.500 4.500 5.660 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.108 3.708 4.885 1.00 0.00 H new ATOM 1166 N GLU A 74 4.205 6.227 7.362 1.00 0.00 N ATOM 1167 CA GLU A 74 5.585 6.187 6.891 1.00 0.00 C ATOM 1168 C GLU A 74 6.560 6.385 8.048 1.00 0.00 C ATOM 1169 O GLU A 74 7.658 5.828 8.053 1.00 0.00 O ATOM 1170 CB GLU A 74 5.815 7.261 5.826 1.00 0.00 C ATOM 1171 CG GLU A 74 5.094 6.983 4.517 1.00 0.00 C ATOM 1172 CD GLU A 74 5.695 5.817 3.756 1.00 0.00 C ATOM 1173 OE1 GLU A 74 6.939 5.745 3.668 1.00 0.00 O ATOM 1174 OE2 GLU A 74 4.922 4.978 3.248 1.00 0.00 O ATOM 0 H GLU A 74 3.728 7.114 7.198 1.00 0.00 H new ATOM 0 HA GLU A 74 5.764 5.206 6.451 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.485 8.224 6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.884 7.345 5.632 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.044 6.776 4.722 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.127 7.875 3.892 1.00 0.00 H new ATOM 1181 N LYS A 75 6.152 7.185 9.028 1.00 0.00 N ATOM 1182 CA LYS A 75 6.988 7.458 10.191 1.00 0.00 C ATOM 1183 C LYS A 75 6.953 6.291 11.172 1.00 0.00 C ATOM 1184 O LYS A 75 7.947 5.994 11.833 1.00 0.00 O ATOM 1185 CB LYS A 75 6.523 8.739 10.888 1.00 0.00 C ATOM 1186 CG LYS A 75 5.237 8.569 11.678 1.00 0.00 C ATOM 1187 CD LYS A 75 5.516 8.218 13.130 1.00 0.00 C ATOM 1188 CE LYS A 75 5.626 9.465 13.994 1.00 0.00 C ATOM 1189 NZ LYS A 75 5.969 9.134 15.405 1.00 0.00 N ATOM 0 H LYS A 75 5.247 7.656 9.040 1.00 0.00 H new ATOM 0 HA LYS A 75 8.014 7.590 9.848 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.309 9.083 11.560 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.379 9.518 10.140 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.656 9.490 11.631 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.631 7.785 11.223 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.719 7.580 13.511 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.441 7.646 13.196 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.387 10.127 13.581 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.682 10.009 13.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.035 10.010 15.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.230 8.523 15.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.882 8.637 15.433 1.00 0.00 H new ATOM 1203 N ASN A 76 5.802 5.632 11.261 1.00 0.00 N ATOM 1204 CA ASN A 76 5.639 4.496 12.161 1.00 0.00 C ATOM 1205 C ASN A 76 6.121 3.207 11.503 1.00 0.00 C ATOM 1206 O ASN A 76 7.165 2.667 11.866 1.00 0.00 O ATOM 1207 CB ASN A 76 4.173 4.353 12.574 1.00 0.00 C ATOM 1208 CG ASN A 76 3.816 5.236 13.755 1.00 0.00 C ATOM 1209 OD1 ASN A 76 4.671 5.570 14.575 1.00 0.00 O ATOM 1210 ND2 ASN A 76 2.548 5.618 13.846 1.00 0.00 N ATOM 0 H ASN A 76 4.969 5.865 10.721 1.00 0.00 H new ATOM 0 HA ASN A 76 6.244 4.678 13.049 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.534 4.606 11.728 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.970 3.313 12.827 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.249 6.213 14.619 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.873 5.317 13.143 1.00 0.00 H new ATOM 1217 N ASN A 77 5.354 2.721 10.533 1.00 0.00 N ATOM 1218 CA ASN A 77 5.703 1.495 9.824 1.00 0.00 C ATOM 1219 C ASN A 77 7.137 1.555 9.308 1.00 0.00 C ATOM 1220 O ASN A 77 7.829 0.539 9.244 1.00 0.00 O ATOM 1221 CB ASN A 77 4.738 1.263 8.659 1.00 0.00 C ATOM 1222 CG ASN A 77 3.294 1.514 9.046 1.00 0.00 C ATOM 1223 OD1 ASN A 77 2.542 2.146 8.304 1.00 0.00 O ATOM 1224 ND2 ASN A 77 2.899 1.018 10.213 1.00 0.00 N ATOM 0 H ASN A 77 4.487 3.157 10.220 1.00 0.00 H new ATOM 0 HA ASN A 77 5.623 0.664 10.524 1.00 0.00 H new ATOM 0 HB2 ASN A 77 5.008 1.918 7.831 1.00 0.00 H new ATOM 0 HB3 ASN A 77 4.843 0.238 8.302 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.938 1.155 10.526 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.557 0.500 10.796 1.00 0.00 H new