USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 776 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 100 THR OG1 : rot 80:sc= 1.14 USER MOD Set 1.2: A 101 HIS : no HD1:sc= 0.947 K(o=2.1,f=-2.6) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.202 K(o=-0.2,f=-0.87) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 148:sc= 1.35 USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -148:sc= 1.2 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -173:sc= 2.23 (180deg=2.13) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 130:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -81:sc= 1.25 USER MOD Single : A 90 ASN : amide:sc= 1.05 K(o=1,f=-6!) USER MOD Single : A 91 GLN : amide:sc= -0.0222 X(o=-0.022,f=-0.0013) USER MOD Single : A 92 ASN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot -24:sc= 0.06 USER MOD Single : A 106 THR OG1 : rot -69:sc= 1.55 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -141:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.0628 X(o=-0.063,f=-0.053) USER MOD ----------------------------------------------------------------- ATOM 27 N ALA A 3 16.433 -2.392 10.239 1.00 1.27 N ATOM 28 CA ALA A 3 15.325 -2.894 9.432 1.00 1.14 C ATOM 29 C ALA A 3 13.975 -2.782 10.155 1.00 0.89 C ATOM 30 O ALA A 3 12.962 -2.473 9.526 1.00 0.85 O ATOM 31 CB ALA A 3 15.634 -4.346 9.051 1.00 1.38 C ATOM 0 HA ALA A 3 15.231 -2.281 8.536 1.00 1.14 H new ATOM 0 HB1 ALA A 3 14.819 -4.745 8.446 1.00 1.38 H new ATOM 0 HB2 ALA A 3 16.562 -4.383 8.480 1.00 1.38 H new ATOM 0 HB3 ALA A 3 15.741 -4.945 9.956 1.00 1.38 H new ATOM 37 N LEU A 4 13.978 -2.920 11.487 1.00 0.90 N ATOM 38 CA LEU A 4 12.788 -2.753 12.324 1.00 0.87 C ATOM 39 C LEU A 4 12.219 -1.326 12.225 1.00 0.84 C ATOM 40 O LEU A 4 11.003 -1.155 12.299 1.00 0.97 O ATOM 41 CB LEU A 4 13.142 -3.139 13.774 1.00 1.07 C ATOM 42 CG LEU A 4 11.947 -3.188 14.743 1.00 1.23 C ATOM 43 CD1 LEU A 4 11.046 -4.378 14.432 1.00 1.47 C ATOM 44 CD2 LEU A 4 12.439 -3.342 16.179 1.00 1.66 C ATOM 0 H LEU A 4 14.817 -3.153 12.018 1.00 0.90 H new ATOM 0 HA LEU A 4 11.998 -3.414 11.966 1.00 0.87 H new ATOM 0 HB2 LEU A 4 13.625 -4.116 13.767 1.00 1.07 H new ATOM 0 HB3 LEU A 4 13.872 -2.425 14.156 1.00 1.07 H new ATOM 0 HG LEU A 4 11.391 -2.258 14.625 1.00 1.23 H new ATOM 0 HD11 LEU A 4 10.208 -4.392 15.129 1.00 1.47 H new ATOM 0 HD12 LEU A 4 10.668 -4.292 13.413 1.00 1.47 H new ATOM 0 HD13 LEU A 4 11.616 -5.302 14.531 1.00 1.47 H new ATOM 0 HD21 LEU A 4 11.584 -3.375 16.855 1.00 1.66 H new ATOM 0 HD22 LEU A 4 13.010 -4.266 16.271 1.00 1.66 H new ATOM 0 HD23 LEU A 4 13.074 -2.495 16.439 1.00 1.66 H new ATOM 56 N ALA A 5 13.069 -0.305 12.043 1.00 0.89 N ATOM 57 CA ALA A 5 12.617 1.042 11.683 1.00 1.00 C ATOM 58 C ALA A 5 12.227 1.121 10.193 1.00 0.84 C ATOM 59 O ALA A 5 11.154 1.633 9.858 1.00 1.10 O ATOM 60 CB ALA A 5 13.703 2.061 12.056 1.00 1.28 C ATOM 0 H ALA A 5 14.081 -0.391 12.141 1.00 0.89 H new ATOM 0 HA ALA A 5 11.716 1.283 12.247 1.00 1.00 H new ATOM 0 HB1 ALA A 5 13.368 3.063 11.789 1.00 1.28 H new ATOM 0 HB2 ALA A 5 13.892 2.015 13.129 1.00 1.28 H new ATOM 0 HB3 ALA A 5 14.621 1.829 11.516 1.00 1.28 H new ATOM 66 N LYS A 6 13.094 0.604 9.305 1.00 0.67 N ATOM 67 CA LYS A 6 12.994 0.667 7.834 1.00 0.69 C ATOM 68 C LYS A 6 11.654 0.182 7.281 1.00 0.72 C ATOM 69 O LYS A 6 11.122 0.844 6.394 1.00 0.77 O ATOM 70 CB LYS A 6 14.151 -0.144 7.241 1.00 0.94 C ATOM 71 CG LYS A 6 14.446 0.187 5.774 1.00 1.24 C ATOM 72 CD LYS A 6 15.744 -0.519 5.369 1.00 1.67 C ATOM 73 CE LYS A 6 16.104 -0.240 3.912 1.00 2.15 C ATOM 74 NZ LYS A 6 17.455 -0.771 3.611 1.00 2.63 N ATOM 0 H LYS A 6 13.929 0.104 9.609 1.00 0.67 H new ATOM 0 HA LYS A 6 13.057 1.715 7.542 1.00 0.69 H new ATOM 0 HB2 LYS A 6 15.049 0.035 7.832 1.00 0.94 H new ATOM 0 HB3 LYS A 6 13.920 -1.206 7.325 1.00 0.94 H new ATOM 0 HG2 LYS A 6 13.623 -0.140 5.139 1.00 1.24 H new ATOM 0 HG3 LYS A 6 14.543 1.264 5.641 1.00 1.24 H new ATOM 0 HD2 LYS A 6 16.557 -0.187 6.015 1.00 1.67 H new ATOM 0 HD3 LYS A 6 15.637 -1.593 5.519 1.00 1.67 H new ATOM 0 HE2 LYS A 6 15.368 -0.701 3.253 1.00 2.15 H new ATOM 0 HE3 LYS A 6 16.075 0.833 3.721 1.00 2.15 H new ATOM 0 HZ1 LYS A 6 17.691 -0.576 2.617 1.00 2.63 H new ATOM 0 HZ2 LYS A 6 18.154 -0.312 4.229 1.00 2.63 H new ATOM 0 HZ3 LYS A 6 17.469 -1.798 3.775 1.00 2.63 H new ATOM 88 N LEU A 7 11.080 -0.895 7.834 1.00 0.87 N ATOM 89 CA LEU A 7 9.741 -1.405 7.485 1.00 1.18 C ATOM 90 C LEU A 7 8.713 -0.264 7.354 1.00 1.38 C ATOM 91 O LEU A 7 8.053 -0.129 6.328 1.00 1.74 O ATOM 92 CB LEU A 7 9.276 -2.421 8.565 1.00 1.15 C ATOM 93 CG LEU A 7 9.378 -3.925 8.237 1.00 1.15 C ATOM 94 CD1 LEU A 7 8.508 -4.314 7.041 1.00 1.24 C ATOM 95 CD2 LEU A 7 10.808 -4.398 8.000 1.00 1.15 C ATOM 0 H LEU A 7 11.542 -1.451 8.554 1.00 0.87 H new ATOM 0 HA LEU A 7 9.808 -1.900 6.516 1.00 1.18 H new ATOM 0 HB2 LEU A 7 9.857 -2.236 9.469 1.00 1.15 H new ATOM 0 HB3 LEU A 7 8.235 -2.201 8.804 1.00 1.15 H new ATOM 0 HG LEU A 7 9.006 -4.430 9.128 1.00 1.15 H new ATOM 0 HD11 LEU A 7 8.612 -5.382 6.847 1.00 1.24 H new ATOM 0 HD12 LEU A 7 7.465 -4.085 7.260 1.00 1.24 H new ATOM 0 HD13 LEU A 7 8.826 -3.753 6.162 1.00 1.24 H new ATOM 0 HD21 LEU A 7 10.806 -5.464 7.775 1.00 1.15 H new ATOM 0 HD22 LEU A 7 11.238 -3.851 7.161 1.00 1.15 H new ATOM 0 HD23 LEU A 7 11.404 -4.217 8.895 1.00 1.15 H new ATOM 107 N ILE A 8 8.629 0.590 8.377 1.00 1.30 N ATOM 108 CA ILE A 8 7.707 1.735 8.433 1.00 1.56 C ATOM 109 C ILE A 8 8.117 2.888 7.498 1.00 1.30 C ATOM 110 O ILE A 8 7.260 3.633 7.010 1.00 1.34 O ATOM 111 CB ILE A 8 7.538 2.186 9.898 1.00 1.85 C ATOM 112 CG1 ILE A 8 6.976 1.045 10.777 1.00 2.17 C ATOM 113 CG2 ILE A 8 6.661 3.441 10.021 1.00 2.19 C ATOM 114 CD1 ILE A 8 5.638 0.435 10.333 1.00 2.66 C ATOM 0 H ILE A 8 9.212 0.506 9.210 1.00 1.30 H new ATOM 0 HA ILE A 8 6.737 1.410 8.056 1.00 1.56 H new ATOM 0 HB ILE A 8 8.533 2.443 10.261 1.00 1.85 H new ATOM 0 HG12 ILE A 8 7.718 0.248 10.817 1.00 2.17 H new ATOM 0 HG13 ILE A 8 6.859 1.423 11.793 1.00 2.17 H new ATOM 0 HG21 ILE A 8 6.571 3.720 11.071 1.00 2.19 H new ATOM 0 HG22 ILE A 8 7.118 4.260 9.465 1.00 2.19 H new ATOM 0 HG23 ILE A 8 5.671 3.234 9.614 1.00 2.19 H new ATOM 0 HD11 ILE A 8 5.349 -0.353 11.028 1.00 2.66 H new ATOM 0 HD12 ILE A 8 4.871 1.209 10.323 1.00 2.66 H new ATOM 0 HD13 ILE A 8 5.743 0.016 9.332 1.00 2.66 H new ATOM 126 N SER A 9 9.413 3.031 7.213 1.00 1.05 N ATOM 127 CA SER A 9 9.964 4.098 6.367 1.00 0.87 C ATOM 128 C SER A 9 9.676 3.886 4.877 1.00 0.83 C ATOM 129 O SER A 9 9.609 4.858 4.125 1.00 0.85 O ATOM 130 CB SER A 9 11.476 4.207 6.570 1.00 0.87 C ATOM 131 OG SER A 9 11.788 4.379 7.939 1.00 1.19 O ATOM 0 H SER A 9 10.126 2.396 7.571 1.00 1.05 H new ATOM 0 HA SER A 9 9.470 5.020 6.673 1.00 0.87 H new ATOM 0 HB2 SER A 9 11.964 3.309 6.191 1.00 0.87 H new ATOM 0 HB3 SER A 9 11.865 5.048 5.995 1.00 0.87 H new ATOM 0 HG SER A 9 12.760 4.445 8.047 1.00 1.19 H new ATOM 137 N LEU A 10 9.441 2.641 4.439 1.00 0.99 N ATOM 138 CA LEU A 10 9.004 2.326 3.069 1.00 1.24 C ATOM 139 C LEU A 10 7.623 2.908 2.712 1.00 1.40 C ATOM 140 O LEU A 10 7.276 2.972 1.532 1.00 1.60 O ATOM 141 CB LEU A 10 8.988 0.799 2.851 1.00 1.48 C ATOM 142 CG LEU A 10 10.306 0.223 2.306 1.00 1.58 C ATOM 143 CD1 LEU A 10 11.333 0.007 3.410 1.00 2.04 C ATOM 144 CD2 LEU A 10 10.036 -1.127 1.646 1.00 1.52 C ATOM 0 H LEU A 10 9.549 1.817 5.030 1.00 0.99 H new ATOM 0 HA LEU A 10 9.729 2.799 2.406 1.00 1.24 H new ATOM 0 HB2 LEU A 10 8.756 0.311 3.798 1.00 1.48 H new ATOM 0 HB3 LEU A 10 8.183 0.551 2.159 1.00 1.48 H new ATOM 0 HG LEU A 10 10.703 0.943 1.591 1.00 1.58 H new ATOM 0 HD11 LEU A 10 12.248 -0.401 2.981 1.00 2.04 H new ATOM 0 HD12 LEU A 10 11.552 0.959 3.895 1.00 2.04 H new ATOM 0 HD13 LEU A 10 10.935 -0.692 4.146 1.00 2.04 H new ATOM 0 HD21 LEU A 10 10.969 -1.536 1.259 1.00 1.52 H new ATOM 0 HD22 LEU A 10 9.616 -1.814 2.381 1.00 1.52 H new ATOM 0 HD23 LEU A 10 9.330 -0.996 0.826 1.00 1.52 H new ATOM 156 N GLN A 11 6.814 3.316 3.691 1.00 1.40 N ATOM 157 CA GLN A 11 5.486 3.882 3.442 1.00 1.60 C ATOM 158 C GLN A 11 5.526 5.270 2.782 1.00 1.61 C ATOM 159 O GLN A 11 6.479 6.044 2.921 1.00 1.70 O ATOM 160 CB GLN A 11 4.657 3.898 4.723 1.00 1.70 C ATOM 161 CG GLN A 11 4.352 2.468 5.186 1.00 1.73 C ATOM 162 CD GLN A 11 3.379 2.498 6.345 1.00 1.96 C ATOM 163 OE1 GLN A 11 2.208 2.176 6.221 1.00 2.88 O ATOM 164 NE2 GLN A 11 3.815 2.936 7.497 1.00 2.04 N ATOM 0 H GLN A 11 7.060 3.264 4.679 1.00 1.40 H new ATOM 0 HA GLN A 11 5.001 3.226 2.719 1.00 1.60 H new ATOM 0 HB2 GLN A 11 5.197 4.432 5.505 1.00 1.70 H new ATOM 0 HB3 GLN A 11 3.725 4.438 4.553 1.00 1.70 H new ATOM 0 HG2 GLN A 11 3.932 1.892 4.362 1.00 1.73 H new ATOM 0 HG3 GLN A 11 5.274 1.969 5.486 1.00 1.73 H new ATOM 0 HE21 GLN A 11 4.793 3.206 7.603 1.00 2.04 H new ATOM 0 HE22 GLN A 11 3.177 3.008 8.290 1.00 2.04 H new ATOM 173 N ALA A 12 4.442 5.579 2.073 1.00 1.57 N ATOM 174 CA ALA A 12 4.148 6.910 1.553 1.00 1.37 C ATOM 175 C ALA A 12 3.566 7.815 2.658 1.00 1.24 C ATOM 176 O ALA A 12 3.061 7.326 3.671 1.00 1.90 O ATOM 177 CB ALA A 12 3.183 6.747 0.375 1.00 1.49 C ATOM 0 H ALA A 12 3.726 4.891 1.839 1.00 1.57 H new ATOM 0 HA ALA A 12 5.060 7.399 1.209 1.00 1.37 H new ATOM 0 HB1 ALA A 12 2.943 7.727 -0.037 1.00 1.49 H new ATOM 0 HB2 ALA A 12 3.650 6.134 -0.396 1.00 1.49 H new ATOM 0 HB3 ALA A 12 2.268 6.264 0.718 1.00 1.49 H new ATOM 183 N THR A 13 3.617 9.130 2.454 1.00 1.24 N ATOM 184 CA THR A 13 3.075 10.162 3.364 1.00 1.14 C ATOM 185 C THR A 13 1.815 10.842 2.792 1.00 0.97 C ATOM 186 O THR A 13 1.152 11.624 3.474 1.00 0.99 O ATOM 187 CB THR A 13 4.174 11.190 3.693 1.00 1.29 C ATOM 188 OG1 THR A 13 5.395 10.553 4.024 1.00 1.90 O ATOM 189 CG2 THR A 13 3.853 12.112 4.867 1.00 1.73 C ATOM 0 H THR A 13 4.051 9.531 1.622 1.00 1.24 H new ATOM 0 HA THR A 13 2.762 9.672 4.286 1.00 1.14 H new ATOM 0 HB THR A 13 4.245 11.783 2.781 1.00 1.29 H new ATOM 0 HG1 THR A 13 6.073 11.231 4.226 1.00 1.90 H new ATOM 0 HG21 THR A 13 4.682 12.801 5.026 1.00 1.73 H new ATOM 0 HG22 THR A 13 2.947 12.678 4.648 1.00 1.73 H new ATOM 0 HG23 THR A 13 3.700 11.516 5.767 1.00 1.73 H new ATOM 197 N GLU A 14 1.445 10.542 1.545 1.00 0.88 N ATOM 198 CA GLU A 14 0.279 11.082 0.832 1.00 0.79 C ATOM 199 C GLU A 14 -0.521 10.000 0.078 1.00 0.71 C ATOM 200 O GLU A 14 0.005 8.919 -0.201 1.00 0.77 O ATOM 201 CB GLU A 14 0.720 12.223 -0.108 1.00 0.92 C ATOM 202 CG GLU A 14 1.621 11.820 -1.286 1.00 1.08 C ATOM 203 CD GLU A 14 3.075 11.561 -0.877 1.00 2.00 C ATOM 204 OE1 GLU A 14 3.423 10.406 -0.530 1.00 3.37 O ATOM 205 OE2 GLU A 14 3.910 12.496 -0.937 1.00 2.68 O ATOM 0 H GLU A 14 1.975 9.883 0.974 1.00 0.88 H new ATOM 0 HA GLU A 14 -0.405 11.484 1.580 1.00 0.79 H new ATOM 0 HB2 GLU A 14 -0.173 12.702 -0.508 1.00 0.92 H new ATOM 0 HB3 GLU A 14 1.245 12.972 0.485 1.00 0.92 H new ATOM 0 HG2 GLU A 14 1.217 10.922 -1.753 1.00 1.08 H new ATOM 0 HG3 GLU A 14 1.598 12.608 -2.038 1.00 1.08 H new ATOM 212 N ALA A 15 -1.790 10.276 -0.244 1.00 0.64 N ATOM 213 CA ALA A 15 -2.673 9.405 -1.035 1.00 0.62 C ATOM 214 C ALA A 15 -3.630 10.192 -1.962 1.00 0.59 C ATOM 215 O ALA A 15 -3.972 11.334 -1.653 1.00 0.69 O ATOM 216 CB ALA A 15 -3.454 8.515 -0.058 1.00 0.61 C ATOM 0 H ALA A 15 -2.247 11.140 0.048 1.00 0.64 H new ATOM 0 HA ALA A 15 -2.061 8.800 -1.703 1.00 0.62 H new ATOM 0 HB1 ALA A 15 -4.119 7.857 -0.617 1.00 0.61 H new ATOM 0 HB2 ALA A 15 -2.756 7.915 0.525 1.00 0.61 H new ATOM 0 HB3 ALA A 15 -4.043 9.141 0.613 1.00 0.61 H new ATOM 222 N THR A 16 -4.121 9.559 -3.041 1.00 0.53 N ATOM 223 CA THR A 16 -5.176 10.125 -3.920 1.00 0.53 C ATOM 224 C THR A 16 -6.525 9.401 -3.793 1.00 0.48 C ATOM 225 O THR A 16 -6.677 8.288 -4.298 1.00 0.54 O ATOM 226 CB THR A 16 -4.779 10.157 -5.406 1.00 0.72 C ATOM 227 OG1 THR A 16 -3.464 10.614 -5.600 1.00 0.88 O ATOM 228 CG2 THR A 16 -5.683 11.117 -6.183 1.00 0.78 C ATOM 0 H THR A 16 -3.801 8.636 -3.335 1.00 0.53 H new ATOM 0 HA THR A 16 -5.287 11.148 -3.561 1.00 0.53 H new ATOM 0 HB THR A 16 -4.875 9.130 -5.759 1.00 0.72 H new ATOM 0 HG1 THR A 16 -3.256 10.616 -6.558 1.00 0.88 H new ATOM 0 HG21 THR A 16 -5.387 11.126 -7.232 1.00 0.78 H new ATOM 0 HG22 THR A 16 -6.719 10.788 -6.101 1.00 0.78 H new ATOM 0 HG23 THR A 16 -5.588 12.121 -5.770 1.00 0.78 H new ATOM 236 N ILE A 17 -7.532 10.038 -3.182 1.00 0.46 N ATOM 237 CA ILE A 17 -8.909 9.516 -3.054 1.00 0.49 C ATOM 238 C ILE A 17 -9.734 9.896 -4.293 1.00 0.55 C ATOM 239 O ILE A 17 -9.853 11.087 -4.588 1.00 0.77 O ATOM 240 CB ILE A 17 -9.624 10.050 -1.784 1.00 0.54 C ATOM 241 CG1 ILE A 17 -8.730 10.102 -0.522 1.00 0.49 C ATOM 242 CG2 ILE A 17 -10.890 9.207 -1.542 1.00 0.73 C ATOM 243 CD1 ILE A 17 -9.443 10.657 0.719 1.00 0.56 C ATOM 0 H ILE A 17 -7.414 10.955 -2.750 1.00 0.46 H new ATOM 0 HA ILE A 17 -8.833 8.432 -2.968 1.00 0.49 H new ATOM 0 HB ILE A 17 -9.887 11.091 -1.971 1.00 0.54 H new ATOM 0 HG12 ILE A 17 -8.368 9.098 -0.303 1.00 0.49 H new ATOM 0 HG13 ILE A 17 -7.855 10.717 -0.733 1.00 0.49 H new ATOM 0 HG21 ILE A 17 -11.404 9.570 -0.652 1.00 0.73 H new ATOM 0 HG22 ILE A 17 -11.553 9.290 -2.403 1.00 0.73 H new ATOM 0 HG23 ILE A 17 -10.610 8.163 -1.399 1.00 0.73 H new ATOM 0 HD11 ILE A 17 -8.753 10.663 1.563 1.00 0.56 H new ATOM 0 HD12 ILE A 17 -9.781 11.674 0.520 1.00 0.56 H new ATOM 0 HD13 ILE A 17 -10.302 10.029 0.957 1.00 0.56 H new ATOM 255 N VAL A 18 -10.356 8.939 -4.991 1.00 0.48 N ATOM 256 CA VAL A 18 -11.076 9.216 -6.256 1.00 0.56 C ATOM 257 C VAL A 18 -12.540 8.758 -6.212 1.00 0.90 C ATOM 258 O VAL A 18 -12.819 7.597 -5.900 1.00 1.26 O ATOM 259 CB VAL A 18 -10.303 8.654 -7.468 1.00 0.91 C ATOM 260 CG1 VAL A 18 -10.978 9.030 -8.792 1.00 1.48 C ATOM 261 CG2 VAL A 18 -8.857 9.172 -7.478 1.00 2.18 C ATOM 0 H VAL A 18 -10.380 7.960 -4.706 1.00 0.48 H new ATOM 0 HA VAL A 18 -11.118 10.298 -6.380 1.00 0.56 H new ATOM 0 HB VAL A 18 -10.303 7.568 -7.371 1.00 0.91 H new ATOM 0 HG11 VAL A 18 -10.405 8.617 -9.622 1.00 1.48 H new ATOM 0 HG12 VAL A 18 -11.990 8.625 -8.812 1.00 1.48 H new ATOM 0 HG13 VAL A 18 -11.019 10.115 -8.884 1.00 1.48 H new ATOM 0 HG21 VAL A 18 -8.330 8.764 -8.340 1.00 2.18 H new ATOM 0 HG22 VAL A 18 -8.861 10.260 -7.537 1.00 2.18 H new ATOM 0 HG23 VAL A 18 -8.352 8.860 -6.564 1.00 2.18 H new ATOM 271 N THR A 19 -13.484 9.668 -6.498 1.00 0.99 N ATOM 272 CA THR A 19 -14.943 9.453 -6.346 1.00 1.44 C ATOM 273 C THR A 19 -15.784 10.103 -7.464 1.00 1.25 C ATOM 274 O THR A 19 -15.422 11.149 -7.998 1.00 1.04 O ATOM 275 CB THR A 19 -15.437 9.964 -4.974 1.00 1.98 C ATOM 276 OG1 THR A 19 -14.550 9.640 -3.916 1.00 2.18 O ATOM 277 CG2 THR A 19 -16.773 9.344 -4.569 1.00 2.76 C ATOM 0 H THR A 19 -13.255 10.598 -6.850 1.00 0.99 H new ATOM 0 HA THR A 19 -15.086 8.375 -6.419 1.00 1.44 H new ATOM 0 HB THR A 19 -15.516 11.042 -5.112 1.00 1.98 H new ATOM 0 HG1 THR A 19 -14.907 9.986 -3.072 1.00 2.18 H new ATOM 0 HG21 THR A 19 -17.076 9.736 -3.598 1.00 2.76 H new ATOM 0 HG22 THR A 19 -17.530 9.592 -5.313 1.00 2.76 H new ATOM 0 HG23 THR A 19 -16.667 8.261 -4.507 1.00 2.76 H new ATOM 391 N LEU A 27 -15.515 12.305 -12.066 1.00 1.54 N ATOM 392 CA LEU A 27 -14.275 11.626 -11.637 1.00 1.29 C ATOM 393 C LEU A 27 -13.328 12.510 -10.773 1.00 1.31 C ATOM 394 O LEU A 27 -12.221 12.860 -11.190 1.00 2.05 O ATOM 395 CB LEU A 27 -13.597 11.014 -12.882 1.00 1.54 C ATOM 396 CG LEU A 27 -12.473 9.998 -12.585 1.00 2.33 C ATOM 397 CD1 LEU A 27 -12.977 8.757 -11.845 1.00 2.78 C ATOM 398 CD2 LEU A 27 -11.861 9.519 -13.902 1.00 2.79 C ATOM 0 HA LEU A 27 -14.539 10.824 -10.948 1.00 1.29 H new ATOM 0 HB2 LEU A 27 -14.359 10.522 -13.486 1.00 1.54 H new ATOM 0 HB3 LEU A 27 -13.184 11.822 -13.486 1.00 1.54 H new ATOM 0 HG LEU A 27 -11.747 10.513 -11.955 1.00 2.33 H new ATOM 0 HD11 LEU A 27 -12.144 8.078 -11.663 1.00 2.78 H new ATOM 0 HD12 LEU A 27 -13.417 9.055 -10.893 1.00 2.78 H new ATOM 0 HD13 LEU A 27 -13.730 8.253 -12.451 1.00 2.78 H new ATOM 0 HD21 LEU A 27 -11.067 8.802 -13.695 1.00 2.79 H new ATOM 0 HD22 LEU A 27 -12.631 9.043 -14.509 1.00 2.79 H new ATOM 0 HD23 LEU A 27 -11.448 10.371 -14.442 1.00 2.79 H new ATOM 410 N SER A 28 -13.789 12.925 -9.587 1.00 0.99 N ATOM 411 CA SER A 28 -13.105 13.883 -8.706 1.00 1.07 C ATOM 412 C SER A 28 -11.957 13.222 -7.950 1.00 0.89 C ATOM 413 O SER A 28 -12.127 12.134 -7.401 1.00 1.03 O ATOM 414 CB SER A 28 -14.091 14.455 -7.679 1.00 1.44 C ATOM 415 OG SER A 28 -14.838 15.526 -8.222 1.00 1.85 O ATOM 0 H SER A 28 -14.674 12.595 -9.201 1.00 0.99 H new ATOM 0 HA SER A 28 -12.709 14.678 -9.338 1.00 1.07 H new ATOM 0 HB2 SER A 28 -14.769 13.669 -7.346 1.00 1.44 H new ATOM 0 HB3 SER A 28 -13.545 14.799 -6.800 1.00 1.44 H new ATOM 0 HG SER A 28 -15.458 15.868 -7.545 1.00 1.85 H new ATOM 421 N GLU A 29 -10.800 13.888 -7.870 1.00 0.87 N ATOM 422 CA GLU A 29 -9.578 13.345 -7.260 1.00 0.70 C ATOM 423 C GLU A 29 -9.099 14.262 -6.120 1.00 0.72 C ATOM 424 O GLU A 29 -8.912 15.467 -6.308 1.00 0.87 O ATOM 425 CB GLU A 29 -8.471 13.171 -8.320 1.00 0.86 C ATOM 426 CG GLU A 29 -8.899 12.385 -9.569 1.00 1.01 C ATOM 427 CD GLU A 29 -7.834 12.438 -10.668 1.00 1.42 C ATOM 428 OE1 GLU A 29 -6.728 11.868 -10.501 1.00 2.41 O ATOM 429 OE2 GLU A 29 -8.096 13.043 -11.738 1.00 2.18 O ATOM 0 H GLU A 29 -10.683 14.834 -8.232 1.00 0.87 H new ATOM 0 HA GLU A 29 -9.805 12.364 -6.844 1.00 0.70 H new ATOM 0 HB2 GLU A 29 -8.124 14.157 -8.629 1.00 0.86 H new ATOM 0 HB3 GLU A 29 -7.623 12.664 -7.861 1.00 0.86 H new ATOM 0 HG2 GLU A 29 -9.089 11.347 -9.297 1.00 1.01 H new ATOM 0 HG3 GLU A 29 -9.836 12.791 -9.951 1.00 1.01 H new ATOM 436 N GLU A 30 -8.874 13.716 -4.928 1.00 0.67 N ATOM 437 CA GLU A 30 -8.425 14.450 -3.737 1.00 0.74 C ATOM 438 C GLU A 30 -7.025 13.969 -3.358 1.00 0.63 C ATOM 439 O GLU A 30 -6.858 12.790 -3.053 1.00 0.65 O ATOM 440 CB GLU A 30 -9.379 14.214 -2.551 1.00 0.84 C ATOM 441 CG GLU A 30 -10.862 14.440 -2.856 1.00 0.99 C ATOM 442 CD GLU A 30 -11.706 14.134 -1.617 1.00 2.64 C ATOM 443 OE1 GLU A 30 -11.780 14.995 -0.708 1.00 3.19 O ATOM 444 OE2 GLU A 30 -12.312 13.037 -1.548 1.00 4.21 O ATOM 0 H GLU A 30 -9.002 12.719 -4.754 1.00 0.67 H new ATOM 0 HA GLU A 30 -8.415 15.516 -3.965 1.00 0.74 H new ATOM 0 HB2 GLU A 30 -9.248 13.191 -2.198 1.00 0.84 H new ATOM 0 HB3 GLU A 30 -9.088 14.873 -1.733 1.00 0.84 H new ATOM 0 HG2 GLU A 30 -11.024 15.471 -3.170 1.00 0.99 H new ATOM 0 HG3 GLU A 30 -11.172 13.802 -3.684 1.00 0.99 H new ATOM 451 N GLN A 31 -6.025 14.852 -3.343 1.00 0.66 N ATOM 452 CA GLN A 31 -4.689 14.531 -2.834 1.00 0.68 C ATOM 453 C GLN A 31 -4.614 14.949 -1.361 1.00 0.67 C ATOM 454 O GLN A 31 -4.906 16.103 -1.021 1.00 0.75 O ATOM 455 CB GLN A 31 -3.612 15.208 -3.696 1.00 0.84 C ATOM 456 CG GLN A 31 -3.608 14.668 -5.130 1.00 1.07 C ATOM 457 CD GLN A 31 -2.401 15.198 -5.847 1.00 1.42 C ATOM 458 OE1 GLN A 31 -2.357 16.322 -6.331 1.00 1.91 O ATOM 459 NE2 GLN A 31 -1.328 14.459 -5.756 1.00 1.57 N ATOM 0 H GLN A 31 -6.118 15.809 -3.683 1.00 0.66 H new ATOM 0 HA GLN A 31 -4.503 13.459 -2.894 1.00 0.68 H new ATOM 0 HB2 GLN A 31 -3.784 16.284 -3.713 1.00 0.84 H new ATOM 0 HB3 GLN A 31 -2.633 15.049 -3.245 1.00 0.84 H new ATOM 0 HG2 GLN A 31 -3.593 13.578 -5.122 1.00 1.07 H new ATOM 0 HG3 GLN A 31 -4.518 14.971 -5.649 1.00 1.07 H new ATOM 0 HE21 GLN A 31 -1.385 13.525 -5.350 1.00 1.57 H new ATOM 0 HE22 GLN A 31 -0.433 14.816 -6.091 1.00 1.57 H new ATOM 468 N VAL A 32 -4.273 14.003 -0.485 1.00 0.64 N ATOM 469 CA VAL A 32 -4.360 14.144 0.980 1.00 0.68 C ATOM 470 C VAL A 32 -3.134 13.567 1.692 1.00 0.71 C ATOM 471 O VAL A 32 -2.309 12.884 1.088 1.00 0.73 O ATOM 472 CB VAL A 32 -5.654 13.491 1.524 1.00 0.69 C ATOM 473 CG1 VAL A 32 -6.924 14.084 0.902 1.00 0.71 C ATOM 474 CG2 VAL A 32 -5.701 11.971 1.324 1.00 0.68 C ATOM 0 H VAL A 32 -3.919 13.092 -0.776 1.00 0.64 H new ATOM 0 HA VAL A 32 -4.389 15.213 1.192 1.00 0.68 H new ATOM 0 HB VAL A 32 -5.626 13.710 2.591 1.00 0.69 H new ATOM 0 HG11 VAL A 32 -7.800 13.588 1.321 1.00 0.71 H new ATOM 0 HG12 VAL A 32 -6.972 15.151 1.120 1.00 0.71 H new ATOM 0 HG13 VAL A 32 -6.904 13.935 -0.178 1.00 0.71 H new ATOM 0 HG21 VAL A 32 -6.635 11.580 1.728 1.00 0.68 H new ATOM 0 HG22 VAL A 32 -5.642 11.742 0.260 1.00 0.68 H new ATOM 0 HG23 VAL A 32 -4.860 11.510 1.842 1.00 0.68 H new ATOM 484 N ASP A 33 -3.028 13.815 2.996 1.00 0.79 N ATOM 485 CA ASP A 33 -2.049 13.162 3.874 1.00 0.85 C ATOM 486 C ASP A 33 -2.502 11.725 4.220 1.00 0.86 C ATOM 487 O ASP A 33 -3.697 11.452 4.342 1.00 0.88 O ATOM 488 CB ASP A 33 -1.820 14.032 5.115 1.00 0.96 C ATOM 489 CG ASP A 33 -0.645 13.594 5.989 1.00 2.01 C ATOM 490 OD1 ASP A 33 -0.653 12.461 6.512 1.00 3.40 O ATOM 491 OD2 ASP A 33 0.281 14.403 6.232 1.00 2.51 O ATOM 0 H ASP A 33 -3.626 14.483 3.482 1.00 0.79 H new ATOM 0 HA ASP A 33 -1.093 13.064 3.360 1.00 0.85 H new ATOM 0 HB2 ASP A 33 -1.655 15.061 4.796 1.00 0.96 H new ATOM 0 HB3 ASP A 33 -2.727 14.027 5.719 1.00 0.96 H new ATOM 496 N VAL A 34 -1.554 10.802 4.400 1.00 0.90 N ATOM 497 CA VAL A 34 -1.823 9.407 4.801 1.00 0.90 C ATOM 498 C VAL A 34 -2.543 9.279 6.162 1.00 0.97 C ATOM 499 O VAL A 34 -3.164 8.249 6.432 1.00 1.02 O ATOM 500 CB VAL A 34 -0.530 8.571 4.720 1.00 0.98 C ATOM 501 CG1 VAL A 34 0.461 8.909 5.836 1.00 1.13 C ATOM 502 CG2 VAL A 34 -0.801 7.061 4.709 1.00 1.04 C ATOM 0 H VAL A 34 -0.562 10.999 4.271 1.00 0.90 H new ATOM 0 HA VAL A 34 -2.536 8.996 4.086 1.00 0.90 H new ATOM 0 HB VAL A 34 -0.077 8.843 3.766 1.00 0.98 H new ATOM 0 HG11 VAL A 34 1.353 8.291 5.730 1.00 1.13 H new ATOM 0 HG12 VAL A 34 0.739 9.961 5.770 1.00 1.13 H new ATOM 0 HG13 VAL A 34 -0.001 8.716 6.804 1.00 1.13 H new ATOM 0 HG21 VAL A 34 0.145 6.522 4.651 1.00 1.04 H new ATOM 0 HG22 VAL A 34 -1.324 6.779 5.623 1.00 1.04 H new ATOM 0 HG23 VAL A 34 -1.416 6.808 3.846 1.00 1.04 H new ATOM 512 N GLU A 35 -2.547 10.313 7.011 1.00 1.03 N ATOM 513 CA GLU A 35 -3.381 10.380 8.228 1.00 1.12 C ATOM 514 C GLU A 35 -4.768 11.030 7.992 1.00 1.11 C ATOM 515 O GLU A 35 -5.696 10.824 8.778 1.00 1.18 O ATOM 516 CB GLU A 35 -2.589 11.076 9.351 1.00 1.45 C ATOM 517 CG GLU A 35 -3.069 10.739 10.776 1.00 1.76 C ATOM 518 CD GLU A 35 -2.619 9.353 11.263 1.00 3.24 C ATOM 519 OE1 GLU A 35 -2.988 8.322 10.647 1.00 4.68 O ATOM 520 OE2 GLU A 35 -1.899 9.271 12.292 1.00 3.92 O ATOM 0 H GLU A 35 -1.966 11.140 6.875 1.00 1.03 H new ATOM 0 HA GLU A 35 -3.608 9.359 8.534 1.00 1.12 H new ATOM 0 HB2 GLU A 35 -1.538 10.801 9.261 1.00 1.45 H new ATOM 0 HB3 GLU A 35 -2.650 12.155 9.206 1.00 1.45 H new ATOM 0 HG2 GLU A 35 -2.695 11.496 11.465 1.00 1.76 H new ATOM 0 HG3 GLU A 35 -4.157 10.790 10.806 1.00 1.76 H new ATOM 527 N LEU A 36 -4.959 11.770 6.890 1.00 1.13 N ATOM 528 CA LEU A 36 -6.226 12.424 6.513 1.00 1.19 C ATOM 529 C LEU A 36 -7.133 11.542 5.632 1.00 1.11 C ATOM 530 O LEU A 36 -8.330 11.805 5.519 1.00 1.15 O ATOM 531 CB LEU A 36 -5.922 13.758 5.805 1.00 1.27 C ATOM 532 CG LEU A 36 -5.219 14.824 6.667 1.00 1.30 C ATOM 533 CD1 LEU A 36 -4.900 16.044 5.803 1.00 1.43 C ATOM 534 CD2 LEU A 36 -6.066 15.297 7.837 1.00 1.30 C ATOM 0 H LEU A 36 -4.214 11.937 6.214 1.00 1.13 H new ATOM 0 HA LEU A 36 -6.782 12.602 7.434 1.00 1.19 H new ATOM 0 HB2 LEU A 36 -5.300 13.553 4.934 1.00 1.27 H new ATOM 0 HB3 LEU A 36 -6.859 14.175 5.436 1.00 1.27 H new ATOM 0 HG LEU A 36 -4.318 14.357 7.064 1.00 1.30 H new ATOM 0 HD11 LEU A 36 -4.402 16.800 6.410 1.00 1.43 H new ATOM 0 HD12 LEU A 36 -4.245 15.748 4.983 1.00 1.43 H new ATOM 0 HD13 LEU A 36 -5.825 16.455 5.398 1.00 1.43 H new ATOM 0 HD21 LEU A 36 -5.515 16.047 8.405 1.00 1.30 H new ATOM 0 HD22 LEU A 36 -6.992 15.733 7.463 1.00 1.30 H new ATOM 0 HD23 LEU A 36 -6.299 14.451 8.483 1.00 1.30 H new ATOM 546 N VAL A 37 -6.596 10.480 5.026 1.00 1.05 N ATOM 547 CA VAL A 37 -7.398 9.441 4.355 1.00 0.99 C ATOM 548 C VAL A 37 -8.036 8.514 5.397 1.00 1.11 C ATOM 549 O VAL A 37 -7.456 8.268 6.460 1.00 1.63 O ATOM 550 CB VAL A 37 -6.569 8.685 3.294 1.00 0.87 C ATOM 551 CG1 VAL A 37 -5.373 7.928 3.879 1.00 0.82 C ATOM 552 CG2 VAL A 37 -7.409 7.703 2.472 1.00 1.05 C ATOM 0 H VAL A 37 -5.591 10.312 4.984 1.00 1.05 H new ATOM 0 HA VAL A 37 -8.211 9.917 3.808 1.00 0.99 H new ATOM 0 HB VAL A 37 -6.196 9.475 2.642 1.00 0.87 H new ATOM 0 HG11 VAL A 37 -4.836 7.420 3.077 1.00 0.82 H new ATOM 0 HG12 VAL A 37 -4.704 8.632 4.375 1.00 0.82 H new ATOM 0 HG13 VAL A 37 -5.726 7.192 4.602 1.00 0.82 H new ATOM 0 HG21 VAL A 37 -6.773 7.201 1.743 1.00 1.05 H new ATOM 0 HG22 VAL A 37 -7.855 6.962 3.135 1.00 1.05 H new ATOM 0 HG23 VAL A 37 -8.198 8.246 1.952 1.00 1.05 H new ATOM 562 N GLN A 38 -9.226 7.993 5.107 1.00 1.03 N ATOM 563 CA GLN A 38 -9.945 7.013 5.927 1.00 1.04 C ATOM 564 C GLN A 38 -10.246 5.727 5.147 1.00 1.03 C ATOM 565 O GLN A 38 -10.276 5.709 3.911 1.00 1.07 O ATOM 566 CB GLN A 38 -11.268 7.610 6.425 1.00 1.13 C ATOM 567 CG GLN A 38 -11.091 8.781 7.398 1.00 2.10 C ATOM 568 CD GLN A 38 -12.422 9.246 7.928 1.00 2.31 C ATOM 569 OE1 GLN A 38 -12.780 9.062 9.087 1.00 3.21 O ATOM 570 NE2 GLN A 38 -13.265 9.763 7.089 1.00 2.33 N ATOM 0 H GLN A 38 -9.738 8.250 4.263 1.00 1.03 H new ATOM 0 HA GLN A 38 -9.301 6.764 6.770 1.00 1.04 H new ATOM 0 HB2 GLN A 38 -11.849 7.947 5.567 1.00 1.13 H new ATOM 0 HB3 GLN A 38 -11.847 6.827 6.915 1.00 1.13 H new ATOM 0 HG2 GLN A 38 -10.451 8.477 8.227 1.00 2.10 H new ATOM 0 HG3 GLN A 38 -10.588 9.606 6.893 1.00 2.10 H new ATOM 0 HE21 GLN A 38 -12.987 9.924 6.121 1.00 2.33 H new ATOM 0 HE22 GLN A 38 -14.206 10.009 7.397 1.00 2.33 H new ATOM 579 N ARG A 39 -10.558 4.663 5.889 1.00 1.02 N ATOM 580 CA ARG A 39 -11.080 3.409 5.318 1.00 1.14 C ATOM 581 C ARG A 39 -12.531 3.606 4.863 1.00 1.46 C ATOM 582 O ARG A 39 -13.294 4.284 5.553 1.00 2.98 O ATOM 583 CB ARG A 39 -10.902 2.251 6.318 1.00 1.14 C ATOM 584 CG ARG A 39 -11.861 2.321 7.516 1.00 1.18 C ATOM 585 CD ARG A 39 -11.280 1.656 8.764 1.00 1.38 C ATOM 586 NE ARG A 39 -12.206 1.766 9.910 1.00 1.55 N ATOM 587 CZ ARG A 39 -12.153 2.620 10.920 1.00 3.08 C ATOM 588 NH1 ARG A 39 -11.286 3.582 11.008 1.00 5.00 N ATOM 589 NH2 ARG A 39 -13.002 2.555 11.899 1.00 3.06 N ATOM 0 H ARG A 39 -10.458 4.641 6.904 1.00 1.02 H new ATOM 0 HA ARG A 39 -10.509 3.136 4.431 1.00 1.14 H new ATOM 0 HB2 ARG A 39 -11.053 1.306 5.797 1.00 1.14 H new ATOM 0 HB3 ARG A 39 -9.875 2.253 6.684 1.00 1.14 H new ATOM 0 HG2 ARG A 39 -12.089 3.364 7.736 1.00 1.18 H new ATOM 0 HG3 ARG A 39 -12.802 1.837 7.254 1.00 1.18 H new ATOM 0 HD2 ARG A 39 -11.076 0.605 8.558 1.00 1.38 H new ATOM 0 HD3 ARG A 39 -10.328 2.122 9.017 1.00 1.38 H new ATOM 0 HE ARG A 39 -12.981 1.103 9.925 1.00 1.55 H new ATOM 0 HH11 ARG A 39 -10.593 3.713 10.271 1.00 5.00 H new ATOM 0 HH12 ARG A 39 -11.298 4.207 11.814 1.00 5.00 H new ATOM 0 HH21 ARG A 39 -13.726 1.837 11.899 1.00 3.06 H new ATOM 0 HH22 ARG A 39 -12.945 3.222 12.669 1.00 3.06 H new ATOM 603 N GLY A 40 -12.914 3.055 3.710 1.00 0.90 N ATOM 604 CA GLY A 40 -14.259 3.214 3.125 1.00 0.91 C ATOM 605 C GLY A 40 -14.303 3.812 1.705 1.00 0.96 C ATOM 606 O GLY A 40 -15.382 3.882 1.116 1.00 1.09 O ATOM 0 H GLY A 40 -12.294 2.476 3.143 1.00 0.90 H new ATOM 0 HA2 GLY A 40 -14.744 2.238 3.104 1.00 0.91 H new ATOM 0 HA3 GLY A 40 -14.850 3.849 3.785 1.00 0.91 H new ATOM 610 N ASP A 41 -13.167 4.210 1.120 1.00 1.07 N ATOM 611 CA ASP A 41 -13.067 4.784 -0.240 1.00 1.28 C ATOM 612 C ASP A 41 -12.181 3.943 -1.186 1.00 1.01 C ATOM 613 O ASP A 41 -11.730 2.850 -0.824 1.00 1.03 O ATOM 614 CB ASP A 41 -12.564 6.234 -0.144 1.00 1.68 C ATOM 615 CG ASP A 41 -13.577 7.178 0.493 1.00 2.04 C ATOM 616 OD1 ASP A 41 -14.765 7.193 0.098 1.00 3.42 O ATOM 617 OD2 ASP A 41 -13.179 7.987 1.354 1.00 1.90 O ATOM 0 H ASP A 41 -12.263 4.142 1.587 1.00 1.07 H new ATOM 0 HA ASP A 41 -14.063 4.771 -0.682 1.00 1.28 H new ATOM 0 HB2 ASP A 41 -11.642 6.255 0.437 1.00 1.68 H new ATOM 0 HB3 ASP A 41 -12.319 6.594 -1.143 1.00 1.68 H new ATOM 622 N ILE A 42 -11.939 4.445 -2.404 1.00 0.84 N ATOM 623 CA ILE A 42 -11.053 3.854 -3.421 1.00 0.63 C ATOM 624 C ILE A 42 -9.922 4.838 -3.767 1.00 0.47 C ATOM 625 O ILE A 42 -10.170 6.015 -4.043 1.00 0.51 O ATOM 626 CB ILE A 42 -11.853 3.409 -4.670 1.00 0.86 C ATOM 627 CG1 ILE A 42 -12.936 2.371 -4.284 1.00 1.09 C ATOM 628 CG2 ILE A 42 -10.908 2.827 -5.741 1.00 0.89 C ATOM 629 CD1 ILE A 42 -13.835 1.915 -5.441 1.00 1.80 C ATOM 0 H ILE A 42 -12.373 5.311 -2.723 1.00 0.84 H new ATOM 0 HA ILE A 42 -10.595 2.953 -3.013 1.00 0.63 H new ATOM 0 HB ILE A 42 -12.349 4.286 -5.087 1.00 0.86 H new ATOM 0 HG12 ILE A 42 -12.445 1.496 -3.858 1.00 1.09 H new ATOM 0 HG13 ILE A 42 -13.564 2.797 -3.501 1.00 1.09 H new ATOM 0 HG21 ILE A 42 -11.489 2.520 -6.611 1.00 0.89 H new ATOM 0 HG22 ILE A 42 -10.183 3.585 -6.038 1.00 0.89 H new ATOM 0 HG23 ILE A 42 -10.383 1.964 -5.332 1.00 0.89 H new ATOM 0 HD11 ILE A 42 -14.561 1.189 -5.074 1.00 1.80 H new ATOM 0 HD12 ILE A 42 -14.360 2.776 -5.855 1.00 1.80 H new ATOM 0 HD13 ILE A 42 -13.224 1.455 -6.217 1.00 1.80 H new ATOM 641 N ILE A 43 -8.678 4.350 -3.746 1.00 0.38 N ATOM 642 CA ILE A 43 -7.432 5.114 -3.891 1.00 0.40 C ATOM 643 C ILE A 43 -6.695 4.687 -5.171 1.00 0.46 C ATOM 644 O ILE A 43 -6.464 3.493 -5.378 1.00 0.63 O ATOM 645 CB ILE A 43 -6.531 4.860 -2.651 1.00 0.50 C ATOM 646 CG1 ILE A 43 -7.252 5.023 -1.290 1.00 0.60 C ATOM 647 CG2 ILE A 43 -5.251 5.715 -2.674 1.00 0.63 C ATOM 648 CD1 ILE A 43 -7.918 6.381 -1.048 1.00 0.71 C ATOM 0 H ILE A 43 -8.502 3.353 -3.620 1.00 0.38 H new ATOM 0 HA ILE A 43 -7.665 6.176 -3.962 1.00 0.40 H new ATOM 0 HB ILE A 43 -6.258 3.808 -2.735 1.00 0.50 H new ATOM 0 HG12 ILE A 43 -8.013 4.247 -1.208 1.00 0.60 H new ATOM 0 HG13 ILE A 43 -6.529 4.847 -0.494 1.00 0.60 H new ATOM 0 HG21 ILE A 43 -4.655 5.502 -1.787 1.00 0.63 H new ATOM 0 HG22 ILE A 43 -4.671 5.478 -3.566 1.00 0.63 H new ATOM 0 HG23 ILE A 43 -5.519 6.771 -2.685 1.00 0.63 H new ATOM 0 HD11 ILE A 43 -8.392 6.384 -0.066 1.00 0.71 H new ATOM 0 HD12 ILE A 43 -7.165 7.168 -1.090 1.00 0.71 H new ATOM 0 HD13 ILE A 43 -8.672 6.558 -1.815 1.00 0.71 H new ATOM 660 N LYS A 44 -6.292 5.639 -6.024 1.00 0.49 N ATOM 661 CA LYS A 44 -5.546 5.346 -7.268 1.00 0.55 C ATOM 662 C LYS A 44 -4.028 5.396 -7.070 1.00 0.57 C ATOM 663 O LYS A 44 -3.510 6.341 -6.472 1.00 0.73 O ATOM 664 CB LYS A 44 -6.013 6.247 -8.419 1.00 0.71 C ATOM 665 CG LYS A 44 -7.476 5.926 -8.755 1.00 2.15 C ATOM 666 CD LYS A 44 -7.946 6.510 -10.088 1.00 2.15 C ATOM 667 CE LYS A 44 -7.419 5.709 -11.284 1.00 1.46 C ATOM 668 NZ LYS A 44 -8.090 6.086 -12.548 1.00 1.83 N ATOM 0 H LYS A 44 -6.470 6.632 -5.877 1.00 0.49 H new ATOM 0 HA LYS A 44 -5.776 4.317 -7.545 1.00 0.55 H new ATOM 0 HB2 LYS A 44 -5.914 7.296 -8.138 1.00 0.71 H new ATOM 0 HB3 LYS A 44 -5.384 6.091 -9.296 1.00 0.71 H new ATOM 0 HG2 LYS A 44 -7.605 4.844 -8.778 1.00 2.15 H new ATOM 0 HG3 LYS A 44 -8.114 6.306 -7.957 1.00 2.15 H new ATOM 0 HD2 LYS A 44 -9.036 6.525 -10.113 1.00 2.15 H new ATOM 0 HD3 LYS A 44 -7.611 7.544 -10.169 1.00 2.15 H new ATOM 0 HE2 LYS A 44 -6.345 5.870 -11.382 1.00 1.46 H new ATOM 0 HE3 LYS A 44 -7.566 4.645 -11.100 1.00 1.46 H new ATOM 0 HZ1 LYS A 44 -7.702 5.519 -13.329 1.00 1.83 H new ATOM 0 HZ2 LYS A 44 -9.111 5.908 -12.465 1.00 1.83 H new ATOM 0 HZ3 LYS A 44 -7.929 7.095 -12.739 1.00 1.83 H new ATOM 682 N VAL A 45 -3.313 4.393 -7.591 1.00 0.53 N ATOM 683 CA VAL A 45 -1.841 4.260 -7.498 1.00 0.56 C ATOM 684 C VAL A 45 -1.182 4.335 -8.883 1.00 0.61 C ATOM 685 O VAL A 45 -1.647 3.680 -9.818 1.00 0.70 O ATOM 686 CB VAL A 45 -1.469 2.976 -6.720 1.00 0.55 C ATOM 687 CG1 VAL A 45 -1.819 1.669 -7.445 1.00 0.66 C ATOM 688 CG2 VAL A 45 0.022 2.922 -6.362 1.00 0.57 C ATOM 0 H VAL A 45 -3.747 3.626 -8.105 1.00 0.53 H new ATOM 0 HA VAL A 45 -1.445 5.105 -6.934 1.00 0.56 H new ATOM 0 HB VAL A 45 -2.080 3.045 -5.820 1.00 0.55 H new ATOM 0 HG11 VAL A 45 -1.524 0.820 -6.828 1.00 0.66 H new ATOM 0 HG12 VAL A 45 -2.893 1.630 -7.626 1.00 0.66 H new ATOM 0 HG13 VAL A 45 -1.289 1.628 -8.397 1.00 0.66 H new ATOM 0 HG21 VAL A 45 0.232 2.002 -5.817 1.00 0.57 H new ATOM 0 HG22 VAL A 45 0.617 2.947 -7.275 1.00 0.57 H new ATOM 0 HG23 VAL A 45 0.278 3.779 -5.739 1.00 0.57 H new ATOM 698 N VAL A 46 -0.109 5.123 -9.033 1.00 0.62 N ATOM 699 CA VAL A 46 0.548 5.406 -10.332 1.00 0.64 C ATOM 700 C VAL A 46 1.827 4.572 -10.558 1.00 0.66 C ATOM 701 O VAL A 46 2.393 4.052 -9.591 1.00 0.70 O ATOM 702 CB VAL A 46 0.812 6.921 -10.524 1.00 0.70 C ATOM 703 CG1 VAL A 46 -0.448 7.756 -10.258 1.00 0.87 C ATOM 704 CG2 VAL A 46 1.965 7.475 -9.681 1.00 0.75 C ATOM 0 H VAL A 46 0.340 5.593 -8.247 1.00 0.62 H new ATOM 0 HA VAL A 46 -0.158 5.093 -11.101 1.00 0.64 H new ATOM 0 HB VAL A 46 1.107 7.010 -11.570 1.00 0.70 H new ATOM 0 HG11 VAL A 46 -0.222 8.812 -10.403 1.00 0.87 H new ATOM 0 HG12 VAL A 46 -1.236 7.456 -10.948 1.00 0.87 H new ATOM 0 HG13 VAL A 46 -0.782 7.594 -9.233 1.00 0.87 H new ATOM 0 HG21 VAL A 46 2.080 8.541 -9.877 1.00 0.75 H new ATOM 0 HG22 VAL A 46 1.749 7.322 -8.624 1.00 0.75 H new ATOM 0 HG23 VAL A 46 2.888 6.957 -9.941 1.00 0.75 H new ATOM 714 N PRO A 47 2.331 4.441 -11.806 1.00 0.73 N ATOM 715 CA PRO A 47 3.621 3.801 -12.085 1.00 0.81 C ATOM 716 C PRO A 47 4.771 4.423 -11.280 1.00 0.82 C ATOM 717 O PRO A 47 4.833 5.641 -11.110 1.00 0.96 O ATOM 718 CB PRO A 47 3.848 3.939 -13.594 1.00 0.97 C ATOM 719 CG PRO A 47 2.432 4.071 -14.147 1.00 1.07 C ATOM 720 CD PRO A 47 1.719 4.866 -13.060 1.00 0.81 C ATOM 0 HA PRO A 47 3.601 2.754 -11.781 1.00 0.81 H new ATOM 0 HB2 PRO A 47 4.456 4.812 -13.832 1.00 0.97 H new ATOM 0 HB3 PRO A 47 4.362 3.070 -14.005 1.00 0.97 H new ATOM 0 HG2 PRO A 47 2.418 4.592 -15.104 1.00 1.07 H new ATOM 0 HG3 PRO A 47 1.968 3.098 -14.307 1.00 1.07 H new ATOM 0 HD2 PRO A 47 1.841 5.938 -13.213 1.00 0.81 H new ATOM 0 HD3 PRO A 47 0.648 4.663 -13.063 1.00 0.81 H new ATOM 728 N GLY A 48 5.666 3.597 -10.734 1.00 0.80 N ATOM 729 CA GLY A 48 6.756 4.050 -9.858 1.00 0.83 C ATOM 730 C GLY A 48 6.326 4.550 -8.466 1.00 0.83 C ATOM 731 O GLY A 48 7.193 4.827 -7.632 1.00 1.03 O ATOM 0 H GLY A 48 5.657 2.588 -10.886 1.00 0.80 H new ATOM 0 HA2 GLY A 48 7.459 3.227 -9.728 1.00 0.83 H new ATOM 0 HA3 GLY A 48 7.294 4.853 -10.363 1.00 0.83 H new ATOM 735 N GLY A 49 5.023 4.685 -8.195 1.00 0.73 N ATOM 736 CA GLY A 49 4.477 5.096 -6.901 1.00 0.74 C ATOM 737 C GLY A 49 4.485 3.980 -5.851 1.00 0.70 C ATOM 738 O GLY A 49 4.575 2.794 -6.179 1.00 0.94 O ATOM 0 H GLY A 49 4.300 4.506 -8.892 1.00 0.73 H new ATOM 0 HA2 GLY A 49 5.053 5.942 -6.525 1.00 0.74 H new ATOM 0 HA3 GLY A 49 3.454 5.444 -7.042 1.00 0.74 H new ATOM 742 N LYS A 50 4.383 4.364 -4.575 1.00 0.75 N ATOM 743 CA LYS A 50 4.336 3.445 -3.423 1.00 0.70 C ATOM 744 C LYS A 50 2.903 3.211 -2.928 1.00 0.69 C ATOM 745 O LYS A 50 2.039 4.085 -3.042 1.00 0.95 O ATOM 746 CB LYS A 50 5.240 3.980 -2.298 1.00 0.78 C ATOM 747 CG LYS A 50 6.731 4.007 -2.680 1.00 0.91 C ATOM 748 CD LYS A 50 7.541 4.809 -1.655 1.00 1.18 C ATOM 749 CE LYS A 50 9.030 4.795 -2.014 1.00 1.31 C ATOM 750 NZ LYS A 50 9.808 5.664 -1.099 1.00 1.96 N ATOM 0 H LYS A 50 4.329 5.346 -4.303 1.00 0.75 H new ATOM 0 HA LYS A 50 4.710 2.473 -3.746 1.00 0.70 H new ATOM 0 HB2 LYS A 50 4.921 4.988 -2.033 1.00 0.78 H new ATOM 0 HB3 LYS A 50 5.110 3.361 -1.411 1.00 0.78 H new ATOM 0 HG2 LYS A 50 7.115 2.988 -2.737 1.00 0.91 H new ATOM 0 HG3 LYS A 50 6.850 4.448 -3.670 1.00 0.91 H new ATOM 0 HD2 LYS A 50 7.179 5.837 -1.621 1.00 1.18 H new ATOM 0 HD3 LYS A 50 7.397 4.388 -0.660 1.00 1.18 H new ATOM 0 HE2 LYS A 50 9.410 3.775 -1.962 1.00 1.31 H new ATOM 0 HE3 LYS A 50 9.163 5.133 -3.042 1.00 1.31 H new ATOM 0 HZ1 LYS A 50 10.813 5.636 -1.365 1.00 1.96 H new ATOM 0 HZ2 LYS A 50 9.459 6.641 -1.168 1.00 1.96 H new ATOM 0 HZ3 LYS A 50 9.699 5.325 -0.122 1.00 1.96 H new ATOM 764 N PHE A 51 2.650 2.047 -2.332 1.00 0.62 N ATOM 765 CA PHE A 51 1.368 1.710 -1.696 1.00 0.62 C ATOM 766 C PHE A 51 1.282 2.319 -0.272 1.00 0.60 C ATOM 767 O PHE A 51 2.175 2.061 0.538 1.00 0.63 O ATOM 768 CB PHE A 51 1.185 0.181 -1.691 1.00 0.68 C ATOM 769 CG PHE A 51 0.787 -0.408 -3.039 1.00 0.59 C ATOM 770 CD1 PHE A 51 1.722 -0.510 -4.089 1.00 1.62 C ATOM 771 CD2 PHE A 51 -0.532 -0.854 -3.253 1.00 1.69 C ATOM 772 CE1 PHE A 51 1.347 -1.041 -5.335 1.00 1.51 C ATOM 773 CE2 PHE A 51 -0.908 -1.383 -4.501 1.00 1.78 C ATOM 774 CZ PHE A 51 0.028 -1.476 -5.544 1.00 0.60 C ATOM 0 H PHE A 51 3.338 1.296 -2.274 1.00 0.62 H new ATOM 0 HA PHE A 51 0.550 2.145 -2.269 1.00 0.62 H new ATOM 0 HB2 PHE A 51 2.116 -0.283 -1.365 1.00 0.68 H new ATOM 0 HB3 PHE A 51 0.424 -0.080 -0.955 1.00 0.68 H new ATOM 0 HD1 PHE A 51 2.737 -0.176 -3.934 1.00 1.62 H new ATOM 0 HD2 PHE A 51 -1.258 -0.790 -2.456 1.00 1.69 H new ATOM 0 HE1 PHE A 51 2.073 -1.115 -6.131 1.00 1.51 H new ATOM 0 HE2 PHE A 51 -1.922 -1.720 -4.658 1.00 1.78 H new ATOM 0 HZ PHE A 51 -0.265 -1.880 -6.502 1.00 0.60 H new ATOM 784 N PRO A 52 0.246 3.118 0.074 1.00 0.60 N ATOM 785 CA PRO A 52 0.208 3.882 1.333 1.00 0.57 C ATOM 786 C PRO A 52 -0.346 3.121 2.555 1.00 0.56 C ATOM 787 O PRO A 52 -0.072 3.518 3.686 1.00 0.58 O ATOM 788 CB PRO A 52 -0.655 5.108 1.010 1.00 0.64 C ATOM 789 CG PRO A 52 -1.645 4.583 -0.029 1.00 0.70 C ATOM 790 CD PRO A 52 -0.811 3.578 -0.821 1.00 0.65 C ATOM 0 HA PRO A 52 1.225 4.123 1.643 1.00 0.57 H new ATOM 0 HB2 PRO A 52 -1.165 5.485 1.896 1.00 0.64 H new ATOM 0 HB3 PRO A 52 -0.056 5.928 0.615 1.00 0.64 H new ATOM 0 HG2 PRO A 52 -2.509 4.111 0.439 1.00 0.70 H new ATOM 0 HG3 PRO A 52 -2.025 5.383 -0.665 1.00 0.70 H new ATOM 0 HD2 PRO A 52 -1.426 2.743 -1.156 1.00 0.65 H new ATOM 0 HD3 PRO A 52 -0.389 4.042 -1.713 1.00 0.65 H new ATOM 798 N VAL A 53 -1.116 2.050 2.339 1.00 0.59 N ATOM 799 CA VAL A 53 -1.753 1.169 3.345 1.00 0.67 C ATOM 800 C VAL A 53 -1.901 -0.243 2.747 1.00 0.71 C ATOM 801 O VAL A 53 -1.680 -0.416 1.546 1.00 0.71 O ATOM 802 CB VAL A 53 -3.126 1.694 3.830 1.00 0.76 C ATOM 803 CG1 VAL A 53 -2.992 2.935 4.722 1.00 0.76 C ATOM 804 CG2 VAL A 53 -4.077 2.018 2.677 1.00 0.85 C ATOM 0 H VAL A 53 -1.331 1.747 1.389 1.00 0.59 H new ATOM 0 HA VAL A 53 -1.108 1.149 4.224 1.00 0.67 H new ATOM 0 HB VAL A 53 -3.549 0.876 4.413 1.00 0.76 H new ATOM 0 HG11 VAL A 53 -3.982 3.265 5.037 1.00 0.76 H new ATOM 0 HG12 VAL A 53 -2.395 2.689 5.600 1.00 0.76 H new ATOM 0 HG13 VAL A 53 -2.503 3.733 4.164 1.00 0.76 H new ATOM 0 HG21 VAL A 53 -5.023 2.382 3.077 1.00 0.85 H new ATOM 0 HG22 VAL A 53 -3.632 2.785 2.043 1.00 0.85 H new ATOM 0 HG23 VAL A 53 -4.254 1.118 2.088 1.00 0.85 H new ATOM 814 N ASP A 54 -2.242 -1.258 3.550 1.00 0.82 N ATOM 815 CA ASP A 54 -2.582 -2.598 3.039 1.00 0.82 C ATOM 816 C ASP A 54 -4.083 -2.727 2.729 1.00 0.85 C ATOM 817 O ASP A 54 -4.914 -2.066 3.353 1.00 0.94 O ATOM 818 CB ASP A 54 -2.038 -3.716 3.944 1.00 0.87 C ATOM 819 CG ASP A 54 -2.711 -3.841 5.311 1.00 1.05 C ATOM 820 OD1 ASP A 54 -2.234 -3.181 6.256 1.00 2.19 O ATOM 821 OD2 ASP A 54 -3.620 -4.692 5.464 1.00 1.40 O ATOM 0 H ASP A 54 -2.291 -1.178 4.566 1.00 0.82 H new ATOM 0 HA ASP A 54 -2.072 -2.726 2.084 1.00 0.82 H new ATOM 0 HB2 ASP A 54 -2.140 -4.666 3.420 1.00 0.87 H new ATOM 0 HB3 ASP A 54 -0.972 -3.549 4.097 1.00 0.87 H new ATOM 826 N GLY A 55 -4.423 -3.535 1.722 1.00 0.82 N ATOM 827 CA GLY A 55 -5.802 -3.626 1.226 1.00 0.84 C ATOM 828 C GLY A 55 -5.976 -4.529 0.003 1.00 0.81 C ATOM 829 O GLY A 55 -5.247 -5.510 -0.177 1.00 1.01 O ATOM 0 H GLY A 55 -3.762 -4.138 1.232 1.00 0.82 H new ATOM 0 HA2 GLY A 55 -6.440 -3.995 2.029 1.00 0.84 H new ATOM 0 HA3 GLY A 55 -6.152 -2.625 0.976 1.00 0.84 H new ATOM 833 N ARG A 56 -6.959 -4.186 -0.841 1.00 0.74 N ATOM 834 CA ARG A 56 -7.380 -4.984 -2.011 1.00 0.72 C ATOM 835 C ARG A 56 -7.521 -4.148 -3.289 1.00 0.67 C ATOM 836 O ARG A 56 -7.929 -2.993 -3.240 1.00 0.76 O ATOM 837 CB ARG A 56 -8.663 -5.758 -1.646 1.00 0.85 C ATOM 838 CG ARG A 56 -8.752 -7.134 -2.327 1.00 1.12 C ATOM 839 CD ARG A 56 -10.005 -7.937 -1.937 1.00 1.15 C ATOM 840 NE ARG A 56 -10.173 -8.072 -0.476 1.00 2.67 N ATOM 841 CZ ARG A 56 -10.974 -7.384 0.316 1.00 3.56 C ATOM 842 NH1 ARG A 56 -11.828 -6.489 -0.088 1.00 3.98 N ATOM 843 NH2 ARG A 56 -10.926 -7.582 1.592 1.00 5.02 N ATOM 0 H ARG A 56 -7.498 -3.327 -0.731 1.00 0.74 H new ATOM 0 HA ARG A 56 -6.595 -5.701 -2.251 1.00 0.72 H new ATOM 0 HB2 ARG A 56 -8.705 -5.891 -0.565 1.00 0.85 H new ATOM 0 HB3 ARG A 56 -9.532 -5.163 -1.928 1.00 0.85 H new ATOM 0 HG2 ARG A 56 -8.742 -6.996 -3.408 1.00 1.12 H new ATOM 0 HG3 ARG A 56 -7.865 -7.714 -2.071 1.00 1.12 H new ATOM 0 HD2 ARG A 56 -10.886 -7.450 -2.355 1.00 1.15 H new ATOM 0 HD3 ARG A 56 -9.947 -8.930 -2.384 1.00 1.15 H new ATOM 0 HE ARG A 56 -9.600 -8.784 -0.024 1.00 2.67 H new ATOM 0 HH11 ARG A 56 -11.913 -6.277 -1.082 1.00 3.98 H new ATOM 0 HH12 ARG A 56 -12.413 -6.000 0.589 1.00 3.98 H new ATOM 0 HH21 ARG A 56 -10.274 -8.264 1.978 1.00 5.02 H new ATOM 0 HH22 ARG A 56 -11.540 -7.056 2.213 1.00 5.02 H new ATOM 857 N VAL A 57 -7.176 -4.739 -4.431 1.00 0.63 N ATOM 858 CA VAL A 57 -7.200 -4.150 -5.781 1.00 0.61 C ATOM 859 C VAL A 57 -8.374 -4.718 -6.571 1.00 0.63 C ATOM 860 O VAL A 57 -8.558 -5.935 -6.600 1.00 0.70 O ATOM 861 CB VAL A 57 -5.873 -4.439 -6.514 1.00 0.63 C ATOM 862 CG1 VAL A 57 -5.914 -4.107 -8.012 1.00 0.67 C ATOM 863 CG2 VAL A 57 -4.732 -3.626 -5.894 1.00 0.86 C ATOM 0 H VAL A 57 -6.850 -5.705 -4.446 1.00 0.63 H new ATOM 0 HA VAL A 57 -7.320 -3.070 -5.695 1.00 0.61 H new ATOM 0 HB VAL A 57 -5.710 -5.511 -6.403 1.00 0.63 H new ATOM 0 HG11 VAL A 57 -4.948 -4.335 -8.462 1.00 0.67 H new ATOM 0 HG12 VAL A 57 -6.689 -4.702 -8.495 1.00 0.67 H new ATOM 0 HG13 VAL A 57 -6.135 -3.048 -8.144 1.00 0.67 H new ATOM 0 HG21 VAL A 57 -3.803 -3.841 -6.422 1.00 0.86 H new ATOM 0 HG22 VAL A 57 -4.957 -2.563 -5.975 1.00 0.86 H new ATOM 0 HG23 VAL A 57 -4.623 -3.895 -4.843 1.00 0.86 H new ATOM 873 N ILE A 58 -9.150 -3.855 -7.236 1.00 0.62 N ATOM 874 CA ILE A 58 -10.364 -4.261 -7.975 1.00 0.70 C ATOM 875 C ILE A 58 -10.562 -3.525 -9.316 1.00 0.74 C ATOM 876 O ILE A 58 -11.679 -3.416 -9.813 1.00 0.86 O ATOM 877 CB ILE A 58 -11.604 -4.100 -7.056 1.00 0.73 C ATOM 878 CG1 ILE A 58 -11.608 -2.706 -6.391 1.00 0.62 C ATOM 879 CG2 ILE A 58 -11.648 -5.215 -5.997 1.00 0.84 C ATOM 880 CD1 ILE A 58 -12.963 -2.314 -5.799 1.00 0.72 C ATOM 0 H ILE A 58 -8.959 -2.854 -7.281 1.00 0.62 H new ATOM 0 HA ILE A 58 -10.234 -5.308 -8.248 1.00 0.70 H new ATOM 0 HB ILE A 58 -12.500 -4.186 -7.671 1.00 0.73 H new ATOM 0 HG12 ILE A 58 -10.857 -2.687 -5.601 1.00 0.62 H new ATOM 0 HG13 ILE A 58 -11.314 -1.960 -7.129 1.00 0.62 H new ATOM 0 HG21 ILE A 58 -12.526 -5.082 -5.364 1.00 0.84 H new ATOM 0 HG22 ILE A 58 -11.701 -6.185 -6.492 1.00 0.84 H new ATOM 0 HG23 ILE A 58 -10.748 -5.170 -5.383 1.00 0.84 H new ATOM 0 HD11 ILE A 58 -12.891 -1.324 -5.349 1.00 0.72 H new ATOM 0 HD12 ILE A 58 -13.715 -2.300 -6.588 1.00 0.72 H new ATOM 0 HD13 ILE A 58 -13.251 -3.039 -5.037 1.00 0.72 H new ATOM 892 N GLU A 59 -9.480 -3.129 -9.989 1.00 0.70 N ATOM 893 CA GLU A 59 -9.508 -2.639 -11.381 1.00 0.81 C ATOM 894 C GLU A 59 -8.079 -2.543 -11.934 1.00 0.75 C ATOM 895 O GLU A 59 -7.184 -2.074 -11.227 1.00 0.71 O ATOM 896 CB GLU A 59 -10.181 -1.251 -11.480 1.00 0.93 C ATOM 897 CG GLU A 59 -11.413 -1.195 -12.394 1.00 1.78 C ATOM 898 CD GLU A 59 -11.094 -1.450 -13.871 1.00 1.81 C ATOM 899 OE1 GLU A 59 -10.442 -0.602 -14.527 1.00 2.14 O ATOM 900 OE2 GLU A 59 -11.541 -2.494 -14.403 1.00 3.38 O ATOM 0 H GLU A 59 -8.544 -3.137 -9.583 1.00 0.70 H new ATOM 0 HA GLU A 59 -10.090 -3.350 -11.968 1.00 0.81 H new ATOM 0 HB2 GLU A 59 -10.474 -0.933 -10.479 1.00 0.93 H new ATOM 0 HB3 GLU A 59 -9.446 -0.532 -11.841 1.00 0.93 H new ATOM 0 HG2 GLU A 59 -12.140 -1.933 -12.055 1.00 1.78 H new ATOM 0 HG3 GLU A 59 -11.883 -0.217 -12.296 1.00 1.78 H new ATOM 907 N GLY A 60 -7.887 -2.917 -13.202 1.00 0.80 N ATOM 908 CA GLY A 60 -6.625 -2.773 -13.929 1.00 0.82 C ATOM 909 C GLY A 60 -5.671 -3.967 -13.797 1.00 0.82 C ATOM 910 O GLY A 60 -6.057 -5.068 -13.401 1.00 0.99 O ATOM 0 H GLY A 60 -8.625 -3.339 -13.765 1.00 0.80 H new ATOM 0 HA2 GLY A 60 -6.845 -2.616 -14.985 1.00 0.82 H new ATOM 0 HA3 GLY A 60 -6.116 -1.877 -13.573 1.00 0.82 H new ATOM 914 N HIS A 61 -4.417 -3.737 -14.181 1.00 0.73 N ATOM 915 CA HIS A 61 -3.346 -4.739 -14.230 1.00 0.70 C ATOM 916 C HIS A 61 -1.967 -4.100 -13.989 1.00 0.72 C ATOM 917 O HIS A 61 -1.594 -3.121 -14.645 1.00 1.13 O ATOM 918 CB HIS A 61 -3.421 -5.524 -15.552 1.00 0.79 C ATOM 919 CG HIS A 61 -3.381 -4.729 -16.837 1.00 0.98 C ATOM 920 ND1 HIS A 61 -4.471 -4.263 -17.542 1.00 1.87 N ATOM 921 CD2 HIS A 61 -2.280 -4.526 -17.628 1.00 1.55 C ATOM 922 CE1 HIS A 61 -4.036 -3.794 -18.724 1.00 1.87 C ATOM 923 NE2 HIS A 61 -2.707 -3.956 -18.834 1.00 1.67 N ATOM 0 H HIS A 61 -4.104 -2.813 -14.479 1.00 0.73 H new ATOM 0 HA HIS A 61 -3.489 -5.453 -13.418 1.00 0.70 H new ATOM 0 HB2 HIS A 61 -2.594 -6.234 -15.569 1.00 0.79 H new ATOM 0 HB3 HIS A 61 -4.342 -6.107 -15.545 1.00 0.79 H new ATOM 0 HD2 HIS A 61 -1.260 -4.764 -17.366 1.00 1.55 H new ATOM 0 HE1 HIS A 61 -4.667 -3.349 -19.480 1.00 1.87 H new ATOM 0 HE2 HIS A 61 -2.125 -3.713 -19.636 1.00 1.67 H new ATOM 931 N SER A 62 -1.235 -4.584 -12.978 1.00 0.64 N ATOM 932 CA SER A 62 0.131 -4.121 -12.688 1.00 0.65 C ATOM 933 C SER A 62 1.043 -5.194 -12.098 1.00 0.61 C ATOM 934 O SER A 62 0.587 -6.254 -11.675 1.00 0.68 O ATOM 935 CB SER A 62 0.098 -2.896 -11.774 1.00 0.74 C ATOM 936 OG SER A 62 1.179 -2.046 -12.081 1.00 1.10 O ATOM 0 H SER A 62 -1.570 -5.305 -12.339 1.00 0.64 H new ATOM 0 HA SER A 62 0.563 -3.856 -13.653 1.00 0.65 H new ATOM 0 HB2 SER A 62 -0.844 -2.362 -11.899 1.00 0.74 H new ATOM 0 HB3 SER A 62 0.152 -3.207 -10.731 1.00 0.74 H new ATOM 0 HG SER A 62 0.921 -1.115 -11.916 1.00 1.10 H new ATOM 942 N MET A 63 2.329 -4.862 -11.979 1.00 0.63 N ATOM 943 CA MET A 63 3.349 -5.667 -11.308 1.00 0.61 C ATOM 944 C MET A 63 3.975 -4.857 -10.162 1.00 0.59 C ATOM 945 O MET A 63 4.295 -3.677 -10.327 1.00 0.71 O ATOM 946 CB MET A 63 4.351 -6.160 -12.358 1.00 0.68 C ATOM 947 CG MET A 63 5.416 -7.084 -11.768 1.00 0.71 C ATOM 948 SD MET A 63 6.220 -8.139 -13.003 1.00 0.84 S ATOM 949 CE MET A 63 5.009 -9.487 -13.093 1.00 0.76 C ATOM 0 H MET A 63 2.702 -3.993 -12.361 1.00 0.63 H new ATOM 0 HA MET A 63 2.922 -6.554 -10.841 1.00 0.61 H new ATOM 0 HB2 MET A 63 3.815 -6.687 -13.147 1.00 0.68 H new ATOM 0 HB3 MET A 63 4.837 -5.302 -12.822 1.00 0.68 H new ATOM 0 HG2 MET A 63 6.174 -6.480 -11.269 1.00 0.71 H new ATOM 0 HG3 MET A 63 4.958 -7.714 -11.006 1.00 0.71 H new ATOM 0 HE1 MET A 63 5.347 -10.232 -13.813 1.00 0.76 H new ATOM 0 HE2 MET A 63 4.907 -9.950 -12.112 1.00 0.76 H new ATOM 0 HE3 MET A 63 4.045 -9.089 -13.409 1.00 0.76 H new ATOM 959 N VAL A 64 4.092 -5.490 -8.991 1.00 0.52 N ATOM 960 CA VAL A 64 4.434 -4.842 -7.713 1.00 0.51 C ATOM 961 C VAL A 64 5.669 -5.473 -7.062 1.00 0.53 C ATOM 962 O VAL A 64 5.791 -6.695 -6.979 1.00 0.63 O ATOM 963 CB VAL A 64 3.215 -4.865 -6.766 1.00 0.53 C ATOM 964 CG1 VAL A 64 3.505 -4.211 -5.412 1.00 0.58 C ATOM 965 CG2 VAL A 64 2.021 -4.119 -7.386 1.00 0.52 C ATOM 0 H VAL A 64 3.948 -6.496 -8.899 1.00 0.52 H new ATOM 0 HA VAL A 64 4.693 -3.803 -7.918 1.00 0.51 H new ATOM 0 HB VAL A 64 2.984 -5.920 -6.615 1.00 0.53 H new ATOM 0 HG11 VAL A 64 2.613 -4.256 -4.788 1.00 0.58 H new ATOM 0 HG12 VAL A 64 4.320 -4.741 -4.919 1.00 0.58 H new ATOM 0 HG13 VAL A 64 3.789 -3.170 -5.564 1.00 0.58 H new ATOM 0 HG21 VAL A 64 1.176 -4.150 -6.699 1.00 0.52 H new ATOM 0 HG22 VAL A 64 2.298 -3.082 -7.574 1.00 0.52 H new ATOM 0 HG23 VAL A 64 1.742 -4.596 -8.326 1.00 0.52 H new ATOM 975 N ASP A 65 6.576 -4.625 -6.581 1.00 0.53 N ATOM 976 CA ASP A 65 7.835 -4.978 -5.928 1.00 0.62 C ATOM 977 C ASP A 65 7.665 -5.000 -4.395 1.00 0.64 C ATOM 978 O ASP A 65 7.426 -3.964 -3.767 1.00 0.71 O ATOM 979 CB ASP A 65 8.907 -3.975 -6.399 1.00 0.75 C ATOM 980 CG ASP A 65 10.333 -4.331 -5.973 1.00 0.92 C ATOM 981 OD1 ASP A 65 10.533 -4.919 -4.885 1.00 1.37 O ATOM 982 OD2 ASP A 65 11.277 -4.035 -6.748 1.00 2.16 O ATOM 0 H ASP A 65 6.444 -3.615 -6.640 1.00 0.53 H new ATOM 0 HA ASP A 65 8.152 -5.984 -6.205 1.00 0.62 H new ATOM 0 HB2 ASP A 65 8.871 -3.907 -7.486 1.00 0.75 H new ATOM 0 HB3 ASP A 65 8.660 -2.987 -6.010 1.00 0.75 H new ATOM 987 N GLU A 66 7.783 -6.192 -3.804 1.00 0.70 N ATOM 988 CA GLU A 66 7.595 -6.460 -2.367 1.00 0.79 C ATOM 989 C GLU A 66 8.899 -6.921 -1.661 1.00 0.98 C ATOM 990 O GLU A 66 8.845 -7.578 -0.615 1.00 1.05 O ATOM 991 CB GLU A 66 6.459 -7.492 -2.160 1.00 0.91 C ATOM 992 CG GLU A 66 5.144 -7.265 -2.935 1.00 1.04 C ATOM 993 CD GLU A 66 3.995 -8.211 -2.513 1.00 1.00 C ATOM 994 OE1 GLU A 66 4.216 -9.214 -1.791 1.00 1.90 O ATOM 995 OE2 GLU A 66 2.827 -7.929 -2.884 1.00 2.22 O ATOM 0 H GLU A 66 8.021 -7.033 -4.330 1.00 0.70 H new ATOM 0 HA GLU A 66 7.313 -5.516 -1.900 1.00 0.79 H new ATOM 0 HB2 GLU A 66 6.844 -8.475 -2.430 1.00 0.91 H new ATOM 0 HB3 GLU A 66 6.222 -7.524 -1.097 1.00 0.91 H new ATOM 0 HG2 GLU A 66 4.823 -6.233 -2.792 1.00 1.04 H new ATOM 0 HG3 GLU A 66 5.335 -7.394 -4.000 1.00 1.04 H new ATOM 1002 N SER A 67 10.080 -6.599 -2.217 1.00 1.18 N ATOM 1003 CA SER A 67 11.383 -7.181 -1.827 1.00 1.40 C ATOM 1004 C SER A 67 11.822 -7.058 -0.362 1.00 1.33 C ATOM 1005 O SER A 67 12.648 -7.864 0.077 1.00 1.56 O ATOM 1006 CB SER A 67 12.498 -6.638 -2.730 1.00 1.65 C ATOM 1007 OG SER A 67 12.943 -5.347 -2.325 1.00 2.03 O ATOM 0 H SER A 67 10.161 -5.912 -2.967 1.00 1.18 H new ATOM 0 HA SER A 67 11.212 -8.249 -1.959 1.00 1.40 H new ATOM 0 HB2 SER A 67 13.340 -7.330 -2.719 1.00 1.65 H new ATOM 0 HB3 SER A 67 12.139 -6.590 -3.758 1.00 1.65 H new ATOM 0 HG SER A 67 13.654 -5.042 -2.927 1.00 2.03 H new ATOM 1013 N LEU A 68 11.306 -6.087 0.396 1.00 1.14 N ATOM 1014 CA LEU A 68 11.589 -5.876 1.824 1.00 1.13 C ATOM 1015 C LEU A 68 10.407 -6.325 2.704 1.00 1.13 C ATOM 1016 O LEU A 68 10.611 -6.812 3.816 1.00 1.21 O ATOM 1017 CB LEU A 68 11.952 -4.383 1.974 1.00 1.18 C ATOM 1018 CG LEU A 68 12.491 -3.844 3.315 1.00 1.18 C ATOM 1019 CD1 LEU A 68 11.417 -3.641 4.383 1.00 1.30 C ATOM 1020 CD2 LEU A 68 13.618 -4.693 3.899 1.00 0.99 C ATOM 0 H LEU A 68 10.654 -5.398 0.020 1.00 1.14 H new ATOM 0 HA LEU A 68 12.422 -6.488 2.171 1.00 1.13 H new ATOM 0 HB2 LEU A 68 12.696 -4.154 1.211 1.00 1.18 H new ATOM 0 HB3 LEU A 68 11.059 -3.808 1.731 1.00 1.18 H new ATOM 0 HG LEU A 68 12.889 -2.865 3.047 1.00 1.18 H new ATOM 0 HD11 LEU A 68 11.878 -3.260 5.295 1.00 1.30 H new ATOM 0 HD12 LEU A 68 10.678 -2.925 4.024 1.00 1.30 H new ATOM 0 HD13 LEU A 68 10.929 -4.592 4.593 1.00 1.30 H new ATOM 0 HD21 LEU A 68 13.950 -4.258 4.841 1.00 0.99 H new ATOM 0 HD22 LEU A 68 13.257 -5.706 4.075 1.00 0.99 H new ATOM 0 HD23 LEU A 68 14.452 -4.722 3.198 1.00 0.99 H new ATOM 1032 N ILE A 69 9.176 -6.216 2.188 1.00 1.08 N ATOM 1033 CA ILE A 69 7.936 -6.527 2.916 1.00 1.08 C ATOM 1034 C ILE A 69 7.750 -8.045 3.059 1.00 1.14 C ATOM 1035 O ILE A 69 7.861 -8.594 4.159 1.00 1.30 O ATOM 1036 CB ILE A 69 6.703 -5.867 2.245 1.00 1.09 C ATOM 1037 CG1 ILE A 69 6.882 -4.375 1.876 1.00 1.10 C ATOM 1038 CG2 ILE A 69 5.477 -6.066 3.156 1.00 1.11 C ATOM 1039 CD1 ILE A 69 6.939 -3.417 3.065 1.00 1.03 C ATOM 0 H ILE A 69 9.009 -5.902 1.232 1.00 1.08 H new ATOM 0 HA ILE A 69 8.024 -6.105 3.917 1.00 1.08 H new ATOM 0 HB ILE A 69 6.563 -6.367 1.286 1.00 1.09 H new ATOM 0 HG12 ILE A 69 7.800 -4.267 1.298 1.00 1.10 H new ATOM 0 HG13 ILE A 69 6.059 -4.076 1.227 1.00 1.10 H new ATOM 0 HG21 ILE A 69 4.603 -5.606 2.695 1.00 1.11 H new ATOM 0 HG22 ILE A 69 5.296 -7.132 3.294 1.00 1.11 H new ATOM 0 HG23 ILE A 69 5.664 -5.601 4.124 1.00 1.11 H new ATOM 0 HD11 ILE A 69 7.066 -2.396 2.704 1.00 1.03 H new ATOM 0 HD12 ILE A 69 6.012 -3.488 3.634 1.00 1.03 H new ATOM 0 HD13 ILE A 69 7.780 -3.682 3.706 1.00 1.03 H new ATOM 1051 N THR A 70 7.522 -8.737 1.939 1.00 1.09 N ATOM 1052 CA THR A 70 7.329 -10.198 1.860 1.00 1.17 C ATOM 1053 C THR A 70 8.605 -10.931 1.432 1.00 1.35 C ATOM 1054 O THR A 70 8.645 -12.161 1.421 1.00 1.52 O ATOM 1055 CB THR A 70 6.165 -10.549 0.918 1.00 1.03 C ATOM 1056 OG1 THR A 70 6.434 -10.022 -0.356 1.00 1.19 O ATOM 1057 CG2 THR A 70 4.834 -9.963 1.390 1.00 1.21 C ATOM 0 H THR A 70 7.464 -8.284 1.027 1.00 1.09 H new ATOM 0 HA THR A 70 7.081 -10.538 2.866 1.00 1.17 H new ATOM 0 HB THR A 70 6.079 -11.636 0.902 1.00 1.03 H new ATOM 0 HG1 THR A 70 5.592 -9.780 -0.795 1.00 1.19 H new ATOM 0 HG21 THR A 70 4.046 -10.240 0.690 1.00 1.21 H new ATOM 0 HG22 THR A 70 4.595 -10.354 2.379 1.00 1.21 H new ATOM 0 HG23 THR A 70 4.911 -8.877 1.438 1.00 1.21 H new ATOM 1065 N GLY A 71 9.664 -10.186 1.096 1.00 1.37 N ATOM 1066 CA GLY A 71 10.991 -10.717 0.770 1.00 1.55 C ATOM 1067 C GLY A 71 11.177 -11.123 -0.694 1.00 1.75 C ATOM 1068 O GLY A 71 12.238 -11.629 -1.064 1.00 2.09 O ATOM 0 H GLY A 71 9.620 -9.168 1.042 1.00 1.37 H new ATOM 0 HA2 GLY A 71 11.740 -9.966 1.022 1.00 1.55 H new ATOM 0 HA3 GLY A 71 11.185 -11.585 1.401 1.00 1.55 H new ATOM 1072 N GLU A 72 10.162 -10.909 -1.533 1.00 1.62 N ATOM 1073 CA GLU A 72 10.129 -11.363 -2.925 1.00 1.72 C ATOM 1074 C GLU A 72 11.052 -10.530 -3.832 1.00 2.11 C ATOM 1075 O GLU A 72 10.760 -9.374 -4.146 1.00 3.61 O ATOM 1076 CB GLU A 72 8.675 -11.354 -3.428 1.00 1.38 C ATOM 1077 CG GLU A 72 7.758 -12.345 -2.689 1.00 1.12 C ATOM 1078 CD GLU A 72 8.214 -13.803 -2.835 1.00 1.56 C ATOM 1079 OE1 GLU A 72 8.573 -14.230 -3.957 1.00 2.54 O ATOM 1080 OE2 GLU A 72 8.244 -14.556 -1.831 1.00 2.18 O ATOM 0 H GLU A 72 9.320 -10.403 -1.257 1.00 1.62 H new ATOM 0 HA GLU A 72 10.513 -12.382 -2.966 1.00 1.72 H new ATOM 0 HB2 GLU A 72 8.269 -10.348 -3.321 1.00 1.38 H new ATOM 0 HB3 GLU A 72 8.667 -11.589 -4.492 1.00 1.38 H new ATOM 0 HG2 GLU A 72 7.726 -12.084 -1.631 1.00 1.12 H new ATOM 0 HG3 GLU A 72 6.742 -12.247 -3.072 1.00 1.12 H new ATOM 1087 N ALA A 73 12.168 -11.123 -4.270 1.00 1.56 N ATOM 1088 CA ALA A 73 13.145 -10.495 -5.164 1.00 1.69 C ATOM 1089 C ALA A 73 12.701 -10.502 -6.640 1.00 1.56 C ATOM 1090 O ALA A 73 13.237 -9.747 -7.457 1.00 2.12 O ATOM 1091 CB ALA A 73 14.488 -11.209 -4.977 1.00 2.05 C ATOM 0 H ALA A 73 12.422 -12.075 -4.006 1.00 1.56 H new ATOM 0 HA ALA A 73 13.237 -9.442 -4.900 1.00 1.69 H new ATOM 0 HB1 ALA A 73 15.234 -10.759 -5.633 1.00 2.05 H new ATOM 0 HB2 ALA A 73 14.811 -11.112 -3.940 1.00 2.05 H new ATOM 0 HB3 ALA A 73 14.376 -12.265 -5.225 1.00 2.05 H new ATOM 1097 N MET A 74 11.712 -11.337 -6.972 1.00 1.20 N ATOM 1098 CA MET A 74 11.000 -11.348 -8.243 1.00 1.09 C ATOM 1099 C MET A 74 9.563 -10.841 -7.991 1.00 0.82 C ATOM 1100 O MET A 74 8.853 -11.426 -7.163 1.00 1.01 O ATOM 1101 CB MET A 74 11.054 -12.760 -8.847 1.00 1.29 C ATOM 1102 CG MET A 74 10.653 -12.718 -10.318 1.00 2.72 C ATOM 1103 SD MET A 74 10.907 -14.245 -11.275 1.00 3.30 S ATOM 1104 CE MET A 74 9.654 -15.314 -10.522 1.00 3.40 C ATOM 0 H MET A 74 11.374 -12.054 -6.330 1.00 1.20 H new ATOM 0 HA MET A 74 11.462 -10.685 -8.974 1.00 1.09 H new ATOM 0 HB2 MET A 74 12.060 -13.168 -8.748 1.00 1.29 H new ATOM 0 HB3 MET A 74 10.386 -13.424 -8.299 1.00 1.29 H new ATOM 0 HG2 MET A 74 9.598 -12.451 -10.376 1.00 2.72 H new ATOM 0 HG3 MET A 74 11.212 -11.916 -10.801 1.00 2.72 H new ATOM 0 HE1 MET A 74 9.678 -16.294 -10.998 1.00 3.40 H new ATOM 0 HE2 MET A 74 9.861 -15.423 -9.457 1.00 3.40 H new ATOM 0 HE3 MET A 74 8.668 -14.869 -10.657 1.00 3.40 H new ATOM 1114 N PRO A 75 9.127 -9.751 -8.651 1.00 0.78 N ATOM 1115 CA PRO A 75 7.886 -9.048 -8.323 1.00 0.80 C ATOM 1116 C PRO A 75 6.607 -9.841 -8.641 1.00 0.71 C ATOM 1117 O PRO A 75 6.620 -10.849 -9.356 1.00 0.74 O ATOM 1118 CB PRO A 75 7.968 -7.716 -9.074 1.00 1.23 C ATOM 1119 CG PRO A 75 8.836 -8.051 -10.283 1.00 1.50 C ATOM 1120 CD PRO A 75 9.837 -9.044 -9.704 1.00 1.15 C ATOM 0 HA PRO A 75 7.804 -8.901 -7.246 1.00 0.80 H new ATOM 0 HB2 PRO A 75 6.982 -7.360 -9.372 1.00 1.23 H new ATOM 0 HB3 PRO A 75 8.416 -6.935 -8.460 1.00 1.23 H new ATOM 0 HG2 PRO A 75 8.252 -8.488 -11.093 1.00 1.50 H new ATOM 0 HG3 PRO A 75 9.329 -7.166 -10.687 1.00 1.50 H new ATOM 0 HD2 PRO A 75 10.191 -9.735 -10.470 1.00 1.15 H new ATOM 0 HD3 PRO A 75 10.713 -8.531 -9.309 1.00 1.15 H new ATOM 1128 N VAL A 76 5.486 -9.369 -8.090 1.00 0.70 N ATOM 1129 CA VAL A 76 4.186 -10.061 -8.067 1.00 0.67 C ATOM 1130 C VAL A 76 3.168 -9.347 -8.960 1.00 0.62 C ATOM 1131 O VAL A 76 2.969 -8.137 -8.831 1.00 0.62 O ATOM 1132 CB VAL A 76 3.661 -10.173 -6.616 1.00 0.73 C ATOM 1133 CG1 VAL A 76 2.397 -11.038 -6.535 1.00 0.76 C ATOM 1134 CG2 VAL A 76 4.702 -10.786 -5.666 1.00 0.80 C ATOM 0 H VAL A 76 5.453 -8.460 -7.629 1.00 0.70 H new ATOM 0 HA VAL A 76 4.328 -11.067 -8.462 1.00 0.67 H new ATOM 0 HB VAL A 76 3.440 -9.151 -6.310 1.00 0.73 H new ATOM 0 HG11 VAL A 76 2.059 -11.092 -5.500 1.00 0.76 H new ATOM 0 HG12 VAL A 76 1.613 -10.595 -7.150 1.00 0.76 H new ATOM 0 HG13 VAL A 76 2.619 -12.042 -6.897 1.00 0.76 H new ATOM 0 HG21 VAL A 76 4.287 -10.844 -4.660 1.00 0.80 H new ATOM 0 HG22 VAL A 76 4.963 -11.787 -6.009 1.00 0.80 H new ATOM 0 HG23 VAL A 76 5.596 -10.162 -5.654 1.00 0.80 H new ATOM 1144 N ALA A 77 2.483 -10.086 -9.835 1.00 0.61 N ATOM 1145 CA ALA A 77 1.399 -9.548 -10.660 1.00 0.62 C ATOM 1146 C ALA A 77 0.093 -9.389 -9.852 1.00 0.59 C ATOM 1147 O ALA A 77 -0.287 -10.268 -9.074 1.00 0.63 O ATOM 1148 CB ALA A 77 1.205 -10.453 -11.882 1.00 0.70 C ATOM 0 H ALA A 77 2.665 -11.077 -9.992 1.00 0.61 H new ATOM 0 HA ALA A 77 1.671 -8.548 -10.999 1.00 0.62 H new ATOM 0 HB1 ALA A 77 0.399 -10.060 -12.502 1.00 0.70 H new ATOM 0 HB2 ALA A 77 2.127 -10.484 -12.462 1.00 0.70 H new ATOM 0 HB3 ALA A 77 0.950 -11.460 -11.552 1.00 0.70 H new ATOM 1154 N LYS A 78 -0.605 -8.263 -10.048 1.00 0.60 N ATOM 1155 CA LYS A 78 -1.887 -7.919 -9.404 1.00 0.64 C ATOM 1156 C LYS A 78 -2.968 -7.661 -10.466 1.00 0.74 C ATOM 1157 O LYS A 78 -2.679 -7.149 -11.552 1.00 0.85 O ATOM 1158 CB LYS A 78 -1.725 -6.712 -8.456 1.00 0.69 C ATOM 1159 CG LYS A 78 -0.565 -6.783 -7.439 1.00 0.61 C ATOM 1160 CD LYS A 78 -0.685 -7.861 -6.346 1.00 0.61 C ATOM 1161 CE LYS A 78 0.553 -7.812 -5.433 1.00 0.59 C ATOM 1162 NZ LYS A 78 0.408 -8.652 -4.219 1.00 0.72 N ATOM 0 H LYS A 78 -0.282 -7.535 -10.685 1.00 0.60 H new ATOM 0 HA LYS A 78 -2.207 -8.766 -8.797 1.00 0.64 H new ATOM 0 HB2 LYS A 78 -1.591 -5.817 -9.064 1.00 0.69 H new ATOM 0 HB3 LYS A 78 -2.656 -6.586 -7.903 1.00 0.69 H new ATOM 0 HG2 LYS A 78 0.362 -6.953 -7.987 1.00 0.61 H new ATOM 0 HG3 LYS A 78 -0.475 -5.811 -6.954 1.00 0.61 H new ATOM 0 HD2 LYS A 78 -1.589 -7.699 -5.759 1.00 0.61 H new ATOM 0 HD3 LYS A 78 -0.774 -8.847 -6.802 1.00 0.61 H new ATOM 0 HE2 LYS A 78 1.426 -8.143 -5.995 1.00 0.59 H new ATOM 0 HE3 LYS A 78 0.738 -6.780 -5.135 1.00 0.59 H new ATOM 0 HZ1 LYS A 78 1.217 -8.489 -3.586 1.00 0.72 H new ATOM 0 HZ2 LYS A 78 -0.473 -8.401 -3.727 1.00 0.72 H new ATOM 0 HZ3 LYS A 78 0.379 -9.655 -4.492 1.00 0.72 H new ATOM 1176 N LYS A 79 -4.217 -7.999 -10.139 1.00 0.75 N ATOM 1177 CA LYS A 79 -5.405 -8.031 -11.021 1.00 0.82 C ATOM 1178 C LYS A 79 -6.668 -7.626 -10.231 1.00 0.80 C ATOM 1179 O LYS A 79 -6.568 -7.519 -9.006 1.00 0.78 O ATOM 1180 CB LYS A 79 -5.509 -9.459 -11.610 1.00 0.95 C ATOM 1181 CG LYS A 79 -5.810 -10.561 -10.577 1.00 2.37 C ATOM 1182 CD LYS A 79 -5.894 -11.955 -11.218 1.00 2.49 C ATOM 1183 CE LYS A 79 -7.133 -12.102 -12.109 1.00 2.53 C ATOM 1184 NZ LYS A 79 -7.242 -13.469 -12.661 1.00 2.80 N ATOM 0 H LYS A 79 -4.450 -8.279 -9.186 1.00 0.75 H new ATOM 0 HA LYS A 79 -5.312 -7.315 -11.837 1.00 0.82 H new ATOM 0 HB2 LYS A 79 -6.291 -9.468 -12.369 1.00 0.95 H new ATOM 0 HB3 LYS A 79 -4.573 -9.698 -12.114 1.00 0.95 H new ATOM 0 HG2 LYS A 79 -5.033 -10.561 -9.813 1.00 2.37 H new ATOM 0 HG3 LYS A 79 -6.751 -10.337 -10.075 1.00 2.37 H new ATOM 0 HD2 LYS A 79 -4.997 -12.136 -11.811 1.00 2.49 H new ATOM 0 HD3 LYS A 79 -5.918 -12.713 -10.435 1.00 2.49 H new ATOM 0 HE2 LYS A 79 -8.028 -11.869 -11.532 1.00 2.53 H new ATOM 0 HE3 LYS A 79 -7.083 -11.381 -12.925 1.00 2.53 H new ATOM 0 HZ1 LYS A 79 -8.090 -13.535 -13.259 1.00 2.80 H new ATOM 0 HZ2 LYS A 79 -6.399 -13.681 -13.231 1.00 2.80 H new ATOM 0 HZ3 LYS A 79 -7.314 -14.154 -11.881 1.00 2.80 H new ATOM 1198 N PRO A 80 -7.854 -7.415 -10.839 1.00 0.82 N ATOM 1199 CA PRO A 80 -9.092 -7.252 -10.076 1.00 0.84 C ATOM 1200 C PRO A 80 -9.373 -8.475 -9.187 1.00 0.86 C ATOM 1201 O PRO A 80 -9.386 -9.615 -9.658 1.00 1.00 O ATOM 1202 CB PRO A 80 -10.203 -7.014 -11.108 1.00 0.93 C ATOM 1203 CG PRO A 80 -9.637 -7.638 -12.383 1.00 1.02 C ATOM 1204 CD PRO A 80 -8.152 -7.307 -12.258 1.00 0.87 C ATOM 0 HA PRO A 80 -9.024 -6.410 -9.387 1.00 0.84 H new ATOM 0 HB2 PRO A 80 -11.138 -7.488 -10.809 1.00 0.93 H new ATOM 0 HB3 PRO A 80 -10.411 -5.952 -11.238 1.00 0.93 H new ATOM 0 HG2 PRO A 80 -9.814 -8.713 -12.426 1.00 1.02 H new ATOM 0 HG3 PRO A 80 -10.078 -7.206 -13.281 1.00 1.02 H new ATOM 0 HD2 PRO A 80 -7.544 -7.999 -12.841 1.00 0.87 H new ATOM 0 HD3 PRO A 80 -7.940 -6.305 -12.630 1.00 0.87 H new ATOM 1212 N GLY A 81 -9.594 -8.222 -7.896 1.00 0.82 N ATOM 1213 CA GLY A 81 -9.694 -9.245 -6.856 1.00 0.86 C ATOM 1214 C GLY A 81 -8.338 -9.714 -6.313 1.00 0.79 C ATOM 1215 O GLY A 81 -8.200 -10.897 -6.002 1.00 0.90 O ATOM 0 H GLY A 81 -9.711 -7.275 -7.536 1.00 0.82 H new ATOM 0 HA2 GLY A 81 -10.289 -8.853 -6.031 1.00 0.86 H new ATOM 0 HA3 GLY A 81 -10.231 -10.105 -7.256 1.00 0.86 H new ATOM 1219 N SER A 82 -7.333 -8.833 -6.200 1.00 0.71 N ATOM 1220 CA SER A 82 -5.975 -9.167 -5.708 1.00 0.61 C ATOM 1221 C SER A 82 -5.612 -8.393 -4.432 1.00 0.60 C ATOM 1222 O SER A 82 -6.155 -7.316 -4.193 1.00 0.69 O ATOM 1223 CB SER A 82 -4.961 -8.893 -6.820 1.00 0.56 C ATOM 1224 OG SER A 82 -3.652 -9.297 -6.480 1.00 1.55 O ATOM 0 H SER A 82 -7.436 -7.850 -6.451 1.00 0.71 H new ATOM 0 HA SER A 82 -5.955 -10.224 -5.443 1.00 0.61 H new ATOM 0 HB2 SER A 82 -5.273 -9.413 -7.726 1.00 0.56 H new ATOM 0 HB3 SER A 82 -4.959 -7.827 -7.049 1.00 0.56 H new ATOM 0 HG SER A 82 -3.281 -9.845 -7.202 1.00 1.55 H new ATOM 1230 N THR A 83 -4.707 -8.906 -3.593 1.00 0.63 N ATOM 1231 CA THR A 83 -4.362 -8.332 -2.275 1.00 0.73 C ATOM 1232 C THR A 83 -2.984 -7.657 -2.270 1.00 0.66 C ATOM 1233 O THR A 83 -2.058 -8.111 -2.946 1.00 0.63 O ATOM 1234 CB THR A 83 -4.444 -9.414 -1.186 1.00 0.88 C ATOM 1235 OG1 THR A 83 -3.727 -10.571 -1.563 1.00 0.89 O ATOM 1236 CG2 THR A 83 -5.894 -9.853 -0.955 1.00 1.02 C ATOM 0 H THR A 83 -4.178 -9.751 -3.810 1.00 0.63 H new ATOM 0 HA THR A 83 -5.093 -7.552 -2.060 1.00 0.73 H new ATOM 0 HB THR A 83 -4.022 -8.974 -0.283 1.00 0.88 H new ATOM 0 HG1 THR A 83 -3.794 -11.243 -0.853 1.00 0.89 H new ATOM 0 HG21 THR A 83 -5.923 -10.619 -0.180 1.00 1.02 H new ATOM 0 HG22 THR A 83 -6.488 -8.995 -0.640 1.00 1.02 H new ATOM 0 HG23 THR A 83 -6.303 -10.258 -1.881 1.00 1.02 H new ATOM 1244 N VAL A 84 -2.839 -6.553 -1.528 1.00 0.66 N ATOM 1245 CA VAL A 84 -1.634 -5.694 -1.542 1.00 0.55 C ATOM 1246 C VAL A 84 -1.211 -5.208 -0.149 1.00 0.55 C ATOM 1247 O VAL A 84 -2.044 -5.085 0.753 1.00 0.64 O ATOM 1248 CB VAL A 84 -1.807 -4.488 -2.494 1.00 0.60 C ATOM 1249 CG1 VAL A 84 -1.884 -4.942 -3.957 1.00 0.70 C ATOM 1250 CG2 VAL A 84 -3.047 -3.637 -2.175 1.00 0.73 C ATOM 0 H VAL A 84 -3.562 -6.221 -0.890 1.00 0.66 H new ATOM 0 HA VAL A 84 -0.831 -6.331 -1.914 1.00 0.55 H new ATOM 0 HB VAL A 84 -0.924 -3.868 -2.339 1.00 0.60 H new ATOM 0 HG11 VAL A 84 -2.006 -4.072 -4.602 1.00 0.70 H new ATOM 0 HG12 VAL A 84 -0.966 -5.466 -4.224 1.00 0.70 H new ATOM 0 HG13 VAL A 84 -2.735 -5.611 -4.086 1.00 0.70 H new ATOM 0 HG21 VAL A 84 -3.110 -2.808 -2.879 1.00 0.73 H new ATOM 0 HG22 VAL A 84 -3.942 -4.253 -2.259 1.00 0.73 H new ATOM 0 HG23 VAL A 84 -2.969 -3.246 -1.160 1.00 0.73 H new ATOM 1260 N ILE A 85 0.082 -4.913 0.027 1.00 0.55 N ATOM 1261 CA ILE A 85 0.671 -4.397 1.281 1.00 0.60 C ATOM 1262 C ILE A 85 1.307 -3.008 1.147 1.00 0.58 C ATOM 1263 O ILE A 85 1.913 -2.658 0.129 1.00 0.87 O ATOM 1264 CB ILE A 85 1.661 -5.384 1.962 1.00 0.67 C ATOM 1265 CG1 ILE A 85 2.445 -6.333 1.031 1.00 0.90 C ATOM 1266 CG2 ILE A 85 0.923 -6.241 2.992 1.00 0.89 C ATOM 1267 CD1 ILE A 85 3.360 -5.576 0.076 1.00 0.73 C ATOM 0 H ILE A 85 0.772 -5.028 -0.716 1.00 0.55 H new ATOM 0 HA ILE A 85 -0.192 -4.294 1.939 1.00 0.60 H new ATOM 0 HB ILE A 85 2.405 -4.726 2.410 1.00 0.67 H new ATOM 0 HG12 ILE A 85 3.039 -7.020 1.633 1.00 0.90 H new ATOM 0 HG13 ILE A 85 1.743 -6.937 0.457 1.00 0.90 H new ATOM 0 HG21 ILE A 85 1.625 -6.929 3.463 1.00 0.89 H new ATOM 0 HG22 ILE A 85 0.481 -5.597 3.752 1.00 0.89 H new ATOM 0 HG23 ILE A 85 0.136 -6.809 2.496 1.00 0.89 H new ATOM 0 HD11 ILE A 85 3.891 -6.286 -0.559 1.00 0.73 H new ATOM 0 HD12 ILE A 85 2.764 -4.908 -0.546 1.00 0.73 H new ATOM 0 HD13 ILE A 85 4.081 -4.992 0.649 1.00 0.73 H new ATOM 1279 N ALA A 86 1.202 -2.240 2.234 1.00 0.51 N ATOM 1280 CA ALA A 86 1.821 -0.930 2.401 1.00 0.57 C ATOM 1281 C ALA A 86 3.347 -0.978 2.195 1.00 0.52 C ATOM 1282 O ALA A 86 4.008 -1.939 2.580 1.00 0.52 O ATOM 1283 CB ALA A 86 1.487 -0.422 3.808 1.00 0.76 C ATOM 0 H ALA A 86 0.663 -2.527 3.051 1.00 0.51 H new ATOM 0 HA ALA A 86 1.427 -0.253 1.643 1.00 0.57 H new ATOM 0 HB1 ALA A 86 1.940 0.558 3.958 1.00 0.76 H new ATOM 0 HB2 ALA A 86 0.406 -0.343 3.919 1.00 0.76 H new ATOM 0 HB3 ALA A 86 1.878 -1.119 4.549 1.00 0.76 H new ATOM 1289 N GLY A 87 3.903 0.077 1.601 1.00 0.52 N ATOM 1290 CA GLY A 87 5.341 0.240 1.375 1.00 0.54 C ATOM 1291 C GLY A 87 5.920 -0.521 0.175 1.00 0.55 C ATOM 1292 O GLY A 87 7.092 -0.327 -0.144 1.00 0.68 O ATOM 0 H GLY A 87 3.353 0.863 1.254 1.00 0.52 H new ATOM 0 HA2 GLY A 87 5.551 1.301 1.243 1.00 0.54 H new ATOM 0 HA3 GLY A 87 5.869 -0.080 2.273 1.00 0.54 H new ATOM 1296 N SER A 88 5.121 -1.333 -0.527 1.00 0.49 N ATOM 1297 CA SER A 88 5.522 -1.926 -1.814 1.00 0.50 C ATOM 1298 C SER A 88 5.499 -0.891 -2.950 1.00 0.47 C ATOM 1299 O SER A 88 4.862 0.161 -2.822 1.00 0.50 O ATOM 1300 CB SER A 88 4.673 -3.160 -2.138 1.00 0.54 C ATOM 1301 OG SER A 88 3.287 -2.882 -2.238 1.00 1.40 O ATOM 0 H SER A 88 4.184 -1.598 -0.224 1.00 0.49 H new ATOM 0 HA SER A 88 6.556 -2.259 -1.720 1.00 0.50 H new ATOM 0 HB2 SER A 88 5.018 -3.592 -3.078 1.00 0.54 H new ATOM 0 HB3 SER A 88 4.830 -3.912 -1.365 1.00 0.54 H new ATOM 0 HG SER A 88 2.896 -2.841 -1.340 1.00 1.40 H new ATOM 1307 N ILE A 89 6.222 -1.161 -4.044 1.00 0.46 N ATOM 1308 CA ILE A 89 6.425 -0.218 -5.165 1.00 0.47 C ATOM 1309 C ILE A 89 5.753 -0.720 -6.452 1.00 0.46 C ATOM 1310 O ILE A 89 5.829 -1.902 -6.777 1.00 0.49 O ATOM 1311 CB ILE A 89 7.925 0.081 -5.453 1.00 0.56 C ATOM 1312 CG1 ILE A 89 8.959 -0.359 -4.389 1.00 0.59 C ATOM 1313 CG2 ILE A 89 8.095 1.576 -5.786 1.00 0.80 C ATOM 1314 CD1 ILE A 89 8.946 0.431 -3.078 1.00 0.77 C ATOM 0 H ILE A 89 6.693 -2.055 -4.183 1.00 0.46 H new ATOM 0 HA ILE A 89 5.956 0.713 -4.846 1.00 0.47 H new ATOM 0 HB ILE A 89 8.165 -0.558 -6.303 1.00 0.56 H new ATOM 0 HG12 ILE A 89 8.789 -1.411 -4.159 1.00 0.59 H new ATOM 0 HG13 ILE A 89 9.955 -0.285 -4.826 1.00 0.59 H new ATOM 0 HG21 ILE A 89 9.145 1.787 -5.988 1.00 0.80 H new ATOM 0 HG22 ILE A 89 7.500 1.823 -6.665 1.00 0.80 H new ATOM 0 HG23 ILE A 89 7.760 2.177 -4.941 1.00 0.80 H new ATOM 0 HD11 ILE A 89 9.710 0.037 -2.408 1.00 0.77 H new ATOM 0 HD12 ILE A 89 9.151 1.482 -3.284 1.00 0.77 H new ATOM 0 HD13 ILE A 89 7.967 0.338 -2.607 1.00 0.77 H new ATOM 1326 N ASN A 90 5.142 0.171 -7.230 1.00 0.52 N ATOM 1327 CA ASN A 90 4.588 -0.125 -8.557 1.00 0.65 C ATOM 1328 C ASN A 90 5.683 -0.097 -9.646 1.00 0.87 C ATOM 1329 O ASN A 90 6.536 0.796 -9.634 1.00 1.09 O ATOM 1330 CB ASN A 90 3.470 0.908 -8.803 1.00 0.98 C ATOM 1331 CG ASN A 90 2.679 0.719 -10.088 1.00 1.28 C ATOM 1332 OD1 ASN A 90 3.197 0.421 -11.154 1.00 2.68 O ATOM 1333 ND2 ASN A 90 1.384 0.919 -10.031 1.00 0.42 N ATOM 0 H ASN A 90 5.013 1.144 -6.952 1.00 0.52 H new ATOM 0 HA ASN A 90 4.178 -1.134 -8.602 1.00 0.65 H new ATOM 0 HB2 ASN A 90 2.777 0.876 -7.962 1.00 0.98 H new ATOM 0 HB3 ASN A 90 3.914 1.903 -8.813 1.00 0.98 H new ATOM 0 HD21 ASN A 90 0.816 0.826 -10.873 1.00 0.42 H new ATOM 0 HD22 ASN A 90 0.945 1.168 -9.145 1.00 0.42 H new ATOM 1340 N GLN A 91 5.659 -1.033 -10.606 1.00 0.98 N ATOM 1341 CA GLN A 91 6.488 -0.954 -11.816 1.00 1.18 C ATOM 1342 C GLN A 91 5.830 -1.544 -13.083 1.00 1.70 C ATOM 1343 O GLN A 91 6.374 -2.450 -13.721 1.00 3.22 O ATOM 1344 CB GLN A 91 7.893 -1.533 -11.564 1.00 1.71 C ATOM 1345 CG GLN A 91 8.884 -0.928 -12.575 1.00 2.00 C ATOM 1346 CD GLN A 91 9.433 0.417 -12.105 1.00 2.37 C ATOM 1347 OE1 GLN A 91 10.390 0.493 -11.340 1.00 3.18 O ATOM 1348 NE2 GLN A 91 8.819 1.519 -12.471 1.00 2.60 N ATOM 0 H GLN A 91 5.067 -1.862 -10.565 1.00 0.98 H new ATOM 0 HA GLN A 91 6.590 0.109 -12.035 1.00 1.18 H new ATOM 0 HB2 GLN A 91 8.213 -1.310 -10.546 1.00 1.71 H new ATOM 0 HB3 GLN A 91 7.874 -2.618 -11.662 1.00 1.71 H new ATOM 0 HG2 GLN A 91 9.710 -1.622 -12.732 1.00 2.00 H new ATOM 0 HG3 GLN A 91 8.388 -0.801 -13.537 1.00 2.00 H new ATOM 0 HE21 GLN A 91 8.022 1.472 -13.106 1.00 2.60 H new ATOM 0 HE22 GLN A 91 9.139 2.422 -12.120 1.00 2.60 H new ATOM 1357 N ASN A 92 4.650 -1.044 -13.455 1.00 1.10 N ATOM 1358 CA ASN A 92 4.042 -1.318 -14.769 1.00 1.47 C ATOM 1359 C ASN A 92 2.961 -0.302 -15.195 1.00 1.25 C ATOM 1360 O ASN A 92 3.070 0.327 -16.247 1.00 2.28 O ATOM 1361 CB ASN A 92 3.458 -2.745 -14.818 1.00 2.35 C ATOM 1362 CG ASN A 92 2.885 -3.022 -16.195 1.00 2.84 C ATOM 1363 OD1 ASN A 92 3.609 -3.070 -17.178 1.00 3.40 O ATOM 1364 ND2 ASN A 92 1.584 -3.138 -16.320 1.00 2.93 N ATOM 0 H ASN A 92 4.086 -0.438 -12.859 1.00 1.10 H new ATOM 0 HA ASN A 92 4.858 -1.219 -15.484 1.00 1.47 H new ATOM 0 HB2 ASN A 92 4.235 -3.473 -14.585 1.00 2.35 H new ATOM 0 HB3 ASN A 92 2.680 -2.855 -14.062 1.00 2.35 H new ATOM 0 HD21 ASN A 92 1.170 -3.269 -17.243 1.00 2.93 H new ATOM 0 HD22 ASN A 92 0.987 -3.097 -15.494 1.00 2.93 H new ATOM 1371 N GLY A 93 1.904 -0.174 -14.393 1.00 1.08 N ATOM 1372 CA GLY A 93 0.669 0.546 -14.743 1.00 1.32 C ATOM 1373 C GLY A 93 -0.214 0.867 -13.534 1.00 1.25 C ATOM 1374 O GLY A 93 0.036 0.369 -12.432 1.00 1.99 O ATOM 0 H GLY A 93 1.877 -0.577 -13.456 1.00 1.08 H new ATOM 0 HA2 GLY A 93 0.931 1.475 -15.249 1.00 1.32 H new ATOM 0 HA3 GLY A 93 0.097 -0.053 -15.452 1.00 1.32 H new ATOM 1378 N SER A 94 -1.235 1.705 -13.708 1.00 0.85 N ATOM 1379 CA SER A 94 -2.070 2.200 -12.602 1.00 0.92 C ATOM 1380 C SER A 94 -3.208 1.245 -12.209 1.00 0.85 C ATOM 1381 O SER A 94 -3.735 0.502 -13.044 1.00 1.18 O ATOM 1382 CB SER A 94 -2.573 3.621 -12.895 1.00 1.35 C ATOM 1383 OG SER A 94 -3.388 3.655 -14.050 1.00 1.79 O ATOM 0 H SER A 94 -1.512 2.064 -14.622 1.00 0.85 H new ATOM 0 HA SER A 94 -1.428 2.242 -11.722 1.00 0.92 H new ATOM 0 HB2 SER A 94 -3.137 3.992 -12.039 1.00 1.35 H new ATOM 0 HB3 SER A 94 -1.722 4.289 -13.029 1.00 1.35 H new ATOM 0 HG SER A 94 -3.693 4.573 -14.208 1.00 1.79 H new ATOM 1389 N LEU A 95 -3.572 1.238 -10.922 1.00 0.68 N ATOM 1390 CA LEU A 95 -4.597 0.366 -10.315 1.00 0.62 C ATOM 1391 C LEU A 95 -5.490 1.141 -9.330 1.00 0.62 C ATOM 1392 O LEU A 95 -5.099 2.188 -8.803 1.00 0.66 O ATOM 1393 CB LEU A 95 -3.896 -0.771 -9.543 1.00 0.59 C ATOM 1394 CG LEU A 95 -3.155 -1.840 -10.349 1.00 0.89 C ATOM 1395 CD1 LEU A 95 -2.363 -2.730 -9.387 1.00 0.84 C ATOM 1396 CD2 LEU A 95 -4.106 -2.714 -11.144 1.00 1.29 C ATOM 0 H LEU A 95 -3.145 1.866 -10.241 1.00 0.68 H new ATOM 0 HA LEU A 95 -5.222 -0.027 -11.117 1.00 0.62 H new ATOM 0 HB2 LEU A 95 -3.182 -0.317 -8.856 1.00 0.59 H new ATOM 0 HB3 LEU A 95 -4.648 -1.274 -8.935 1.00 0.59 H new ATOM 0 HG LEU A 95 -2.495 -1.330 -11.050 1.00 0.89 H new ATOM 0 HD11 LEU A 95 -1.832 -3.495 -9.953 1.00 0.84 H new ATOM 0 HD12 LEU A 95 -1.645 -2.122 -8.836 1.00 0.84 H new ATOM 0 HD13 LEU A 95 -3.048 -3.207 -8.686 1.00 0.84 H new ATOM 0 HD21 LEU A 95 -3.537 -3.458 -11.701 1.00 1.29 H new ATOM 0 HD22 LEU A 95 -4.793 -3.217 -10.463 1.00 1.29 H new ATOM 0 HD23 LEU A 95 -4.673 -2.096 -11.840 1.00 1.29 H new ATOM 1408 N LEU A 96 -6.662 0.572 -9.026 1.00 0.62 N ATOM 1409 CA LEU A 96 -7.615 1.082 -8.032 1.00 0.62 C ATOM 1410 C LEU A 96 -7.629 0.175 -6.790 1.00 0.56 C ATOM 1411 O LEU A 96 -7.959 -1.012 -6.891 1.00 0.63 O ATOM 1412 CB LEU A 96 -9.024 1.164 -8.653 1.00 0.89 C ATOM 1413 CG LEU A 96 -9.289 2.346 -9.605 1.00 1.16 C ATOM 1414 CD1 LEU A 96 -8.425 2.341 -10.868 1.00 2.04 C ATOM 1415 CD2 LEU A 96 -10.748 2.341 -10.050 1.00 2.03 C ATOM 0 H LEU A 96 -6.984 -0.283 -9.479 1.00 0.62 H new ATOM 0 HA LEU A 96 -7.305 2.081 -7.725 1.00 0.62 H new ATOM 0 HB2 LEU A 96 -9.211 0.239 -9.198 1.00 0.89 H new ATOM 0 HB3 LEU A 96 -9.752 1.209 -7.843 1.00 0.89 H new ATOM 0 HG LEU A 96 -9.036 3.237 -9.030 1.00 1.16 H new ATOM 0 HD11 LEU A 96 -8.674 3.206 -11.483 1.00 2.04 H new ATOM 0 HD12 LEU A 96 -7.372 2.386 -10.589 1.00 2.04 H new ATOM 0 HD13 LEU A 96 -8.612 1.428 -11.433 1.00 2.04 H new ATOM 0 HD21 LEU A 96 -10.926 3.180 -10.723 1.00 2.03 H new ATOM 0 HD22 LEU A 96 -10.967 1.407 -10.568 1.00 2.03 H new ATOM 0 HD23 LEU A 96 -11.395 2.432 -9.177 1.00 2.03 H new ATOM 1427 N ILE A 97 -7.294 0.738 -5.624 1.00 0.50 N ATOM 1428 CA ILE A 97 -7.236 0.040 -4.328 1.00 0.50 C ATOM 1429 C ILE A 97 -8.420 0.465 -3.444 1.00 0.42 C ATOM 1430 O ILE A 97 -8.520 1.636 -3.083 1.00 0.44 O ATOM 1431 CB ILE A 97 -5.897 0.361 -3.621 1.00 0.59 C ATOM 1432 CG1 ILE A 97 -4.654 0.047 -4.488 1.00 0.79 C ATOM 1433 CG2 ILE A 97 -5.781 -0.396 -2.282 1.00 0.87 C ATOM 1434 CD1 ILE A 97 -3.462 0.930 -4.111 1.00 2.12 C ATOM 0 H ILE A 97 -7.047 1.725 -5.550 1.00 0.50 H new ATOM 0 HA ILE A 97 -7.298 -1.035 -4.499 1.00 0.50 H new ATOM 0 HB ILE A 97 -5.913 1.436 -3.443 1.00 0.59 H new ATOM 0 HG12 ILE A 97 -4.382 -1.002 -4.368 1.00 0.79 H new ATOM 0 HG13 ILE A 97 -4.898 0.195 -5.540 1.00 0.79 H new ATOM 0 HG21 ILE A 97 -4.831 -0.152 -1.807 1.00 0.87 H new ATOM 0 HG22 ILE A 97 -6.601 -0.103 -1.626 1.00 0.87 H new ATOM 0 HG23 ILE A 97 -5.830 -1.469 -2.465 1.00 0.87 H new ATOM 0 HD11 ILE A 97 -2.609 0.679 -4.742 1.00 2.12 H new ATOM 0 HD12 ILE A 97 -3.725 1.978 -4.256 1.00 2.12 H new ATOM 0 HD13 ILE A 97 -3.202 0.763 -3.066 1.00 2.12 H new ATOM 1446 N CYS A 98 -9.292 -0.456 -3.029 1.00 0.42 N ATOM 1447 CA CYS A 98 -10.318 -0.164 -2.020 1.00 0.47 C ATOM 1448 C CYS A 98 -9.705 -0.211 -0.607 1.00 0.59 C ATOM 1449 O CYS A 98 -9.194 -1.248 -0.174 1.00 0.66 O ATOM 1450 CB CYS A 98 -11.535 -1.090 -2.200 1.00 0.53 C ATOM 1451 SG CYS A 98 -11.068 -2.841 -2.125 1.00 1.49 S ATOM 0 H CYS A 98 -9.310 -1.415 -3.376 1.00 0.42 H new ATOM 0 HA CYS A 98 -10.692 0.851 -2.158 1.00 0.47 H new ATOM 0 HB2 CYS A 98 -12.271 -0.877 -1.425 1.00 0.53 H new ATOM 0 HB3 CYS A 98 -12.011 -0.882 -3.158 1.00 0.53 H new ATOM 0 HG CYS A 98 -9.815 -2.970 -2.448 1.00 1.49 H new ATOM 1457 N ALA A 99 -9.712 0.919 0.108 1.00 0.68 N ATOM 1458 CA ALA A 99 -9.016 1.062 1.386 1.00 0.76 C ATOM 1459 C ALA A 99 -9.850 0.557 2.576 1.00 0.81 C ATOM 1460 O ALA A 99 -10.943 1.057 2.859 1.00 0.93 O ATOM 1461 CB ALA A 99 -8.588 2.524 1.562 1.00 0.82 C ATOM 0 H ALA A 99 -10.204 1.763 -0.187 1.00 0.68 H new ATOM 0 HA ALA A 99 -8.129 0.429 1.369 1.00 0.76 H new ATOM 0 HB1 ALA A 99 -8.068 2.639 2.513 1.00 0.82 H new ATOM 0 HB2 ALA A 99 -7.922 2.809 0.748 1.00 0.82 H new ATOM 0 HB3 ALA A 99 -9.469 3.165 1.551 1.00 0.82 H new ATOM 1467 N THR A 100 -9.296 -0.409 3.306 1.00 0.82 N ATOM 1468 CA THR A 100 -9.925 -1.081 4.459 1.00 0.90 C ATOM 1469 C THR A 100 -9.201 -0.827 5.781 1.00 0.93 C ATOM 1470 O THR A 100 -9.747 -1.149 6.833 1.00 1.07 O ATOM 1471 CB THR A 100 -9.958 -2.596 4.205 1.00 1.07 C ATOM 1472 OG1 THR A 100 -8.655 -3.023 3.873 1.00 2.13 O ATOM 1473 CG2 THR A 100 -10.869 -2.977 3.040 1.00 1.63 C ATOM 0 H THR A 100 -8.360 -0.764 3.109 1.00 0.82 H new ATOM 0 HA THR A 100 -10.928 -0.665 4.553 1.00 0.90 H new ATOM 0 HB THR A 100 -10.337 -3.068 5.111 1.00 1.07 H new ATOM 0 HG1 THR A 100 -8.126 -3.126 4.691 1.00 2.13 H new ATOM 0 HG21 THR A 100 -10.854 -4.059 2.905 1.00 1.63 H new ATOM 0 HG22 THR A 100 -11.887 -2.652 3.253 1.00 1.63 H new ATOM 0 HG23 THR A 100 -10.516 -2.493 2.129 1.00 1.63 H new ATOM 1481 N HIS A 101 -8.010 -0.223 5.741 1.00 0.84 N ATOM 1482 CA HIS A 101 -7.137 0.009 6.890 1.00 0.82 C ATOM 1483 C HIS A 101 -6.509 1.409 6.845 1.00 0.80 C ATOM 1484 O HIS A 101 -6.183 1.915 5.770 1.00 0.80 O ATOM 1485 CB HIS A 101 -6.011 -1.043 6.892 1.00 0.92 C ATOM 1486 CG HIS A 101 -6.476 -2.441 7.204 1.00 1.05 C ATOM 1487 ND1 HIS A 101 -7.057 -3.339 6.337 1.00 1.37 N ATOM 1488 CD2 HIS A 101 -6.389 -3.059 8.418 1.00 1.53 C ATOM 1489 CE1 HIS A 101 -7.339 -4.461 7.020 1.00 1.52 C ATOM 1490 NE2 HIS A 101 -6.948 -4.337 8.302 1.00 1.61 N ATOM 0 H HIS A 101 -7.614 0.131 4.871 1.00 0.84 H new ATOM 0 HA HIS A 101 -7.740 -0.069 7.795 1.00 0.82 H new ATOM 0 HB2 HIS A 101 -5.526 -1.042 5.916 1.00 0.92 H new ATOM 0 HB3 HIS A 101 -5.257 -0.751 7.623 1.00 0.92 H new ATOM 0 HD2 HIS A 101 -5.962 -2.635 9.315 1.00 1.53 H new ATOM 0 HE1 HIS A 101 -7.812 -5.337 6.601 1.00 1.52 H new ATOM 0 HE2 HIS A 101 -7.040 -5.034 9.041 1.00 1.61 H new ATOM 1498 N VAL A 102 -6.308 2.007 8.019 1.00 0.85 N ATOM 1499 CA VAL A 102 -5.492 3.222 8.235 1.00 0.91 C ATOM 1500 C VAL A 102 -4.114 2.840 8.780 1.00 0.96 C ATOM 1501 O VAL A 102 -3.948 1.733 9.291 1.00 0.98 O ATOM 1502 CB VAL A 102 -6.223 4.262 9.096 1.00 1.01 C ATOM 1503 CG1 VAL A 102 -7.341 4.901 8.267 1.00 1.78 C ATOM 1504 CG2 VAL A 102 -6.826 3.668 10.372 1.00 1.31 C ATOM 0 H VAL A 102 -6.720 1.653 8.883 1.00 0.85 H new ATOM 0 HA VAL A 102 -5.334 3.712 7.274 1.00 0.91 H new ATOM 0 HB VAL A 102 -5.484 5.002 9.403 1.00 1.01 H new ATOM 0 HG11 VAL A 102 -7.865 5.641 8.872 1.00 1.78 H new ATOM 0 HG12 VAL A 102 -6.912 5.387 7.391 1.00 1.78 H new ATOM 0 HG13 VAL A 102 -8.043 4.131 7.948 1.00 1.78 H new ATOM 0 HG21 VAL A 102 -7.329 4.453 10.937 1.00 1.31 H new ATOM 0 HG22 VAL A 102 -7.546 2.893 10.108 1.00 1.31 H new ATOM 0 HG23 VAL A 102 -6.033 3.234 10.981 1.00 1.31 H new ATOM 1514 N GLY A 103 -3.107 3.719 8.679 1.00 1.09 N ATOM 1515 CA GLY A 103 -1.694 3.367 8.895 1.00 1.20 C ATOM 1516 C GLY A 103 -1.358 2.663 10.211 1.00 1.25 C ATOM 1517 O GLY A 103 -0.563 1.721 10.205 1.00 1.28 O ATOM 0 H GLY A 103 -3.250 4.701 8.444 1.00 1.09 H new ATOM 0 HA2 GLY A 103 -1.373 2.726 8.074 1.00 1.20 H new ATOM 0 HA3 GLY A 103 -1.102 4.281 8.836 1.00 1.20 H new ATOM 1521 N ALA A 104 -1.977 3.057 11.322 1.00 1.33 N ATOM 1522 CA ALA A 104 -1.788 2.410 12.624 1.00 1.43 C ATOM 1523 C ALA A 104 -2.431 1.008 12.710 1.00 1.26 C ATOM 1524 O ALA A 104 -1.864 0.094 13.316 1.00 1.27 O ATOM 1525 CB ALA A 104 -2.328 3.360 13.697 1.00 1.73 C ATOM 0 H ALA A 104 -2.630 3.840 11.347 1.00 1.33 H new ATOM 0 HA ALA A 104 -0.725 2.228 12.780 1.00 1.43 H new ATOM 0 HB1 ALA A 104 -2.202 2.907 14.681 1.00 1.73 H new ATOM 0 HB2 ALA A 104 -1.780 4.302 13.658 1.00 1.73 H new ATOM 0 HB3 ALA A 104 -3.386 3.548 13.517 1.00 1.73 H new ATOM 1531 N ASP A 105 -3.593 0.805 12.079 1.00 1.22 N ATOM 1532 CA ASP A 105 -4.262 -0.499 11.956 1.00 1.22 C ATOM 1533 C ASP A 105 -3.621 -1.447 10.921 1.00 1.06 C ATOM 1534 O ASP A 105 -3.988 -2.622 10.860 1.00 1.20 O ATOM 1535 CB ASP A 105 -5.764 -0.300 11.701 1.00 1.44 C ATOM 1536 CG ASP A 105 -6.580 -1.587 11.900 1.00 1.67 C ATOM 1537 OD1 ASP A 105 -6.332 -2.329 12.888 1.00 2.33 O ATOM 1538 OD2 ASP A 105 -7.491 -1.868 11.086 1.00 2.21 O ATOM 0 H ASP A 105 -4.109 1.561 11.628 1.00 1.22 H new ATOM 0 HA ASP A 105 -4.126 -1.008 12.910 1.00 1.22 H new ATOM 0 HB2 ASP A 105 -6.142 0.471 12.372 1.00 1.44 H new ATOM 0 HB3 ASP A 105 -5.910 0.063 10.684 1.00 1.44 H new ATOM 1543 N THR A 106 -2.666 -0.976 10.108 1.00 0.92 N ATOM 1544 CA THR A 106 -2.036 -1.799 9.058 1.00 0.92 C ATOM 1545 C THR A 106 -1.356 -3.053 9.605 1.00 1.04 C ATOM 1546 O THR A 106 -0.840 -3.084 10.730 1.00 1.12 O ATOM 1547 CB THR A 106 -0.989 -1.051 8.209 1.00 0.92 C ATOM 1548 OG1 THR A 106 0.065 -0.562 9.002 1.00 1.65 O ATOM 1549 CG2 THR A 106 -1.571 0.061 7.349 1.00 1.25 C ATOM 0 H THR A 106 -2.308 -0.022 10.156 1.00 0.92 H new ATOM 0 HA THR A 106 -2.883 -2.069 8.427 1.00 0.92 H new ATOM 0 HB THR A 106 -0.596 -1.797 7.518 1.00 0.92 H new ATOM 0 HG1 THR A 106 -0.264 0.165 9.571 1.00 1.65 H new ATOM 0 HG21 THR A 106 -0.772 0.539 6.782 1.00 1.25 H new ATOM 0 HG22 THR A 106 -2.304 -0.358 6.660 1.00 1.25 H new ATOM 0 HG23 THR A 106 -2.054 0.800 7.988 1.00 1.25 H new ATOM 1557 N THR A 107 -1.282 -4.075 8.755 1.00 1.17 N ATOM 1558 CA THR A 107 -0.494 -5.294 8.978 1.00 1.30 C ATOM 1559 C THR A 107 0.985 -4.945 9.219 1.00 1.24 C ATOM 1560 O THR A 107 1.616 -5.462 10.139 1.00 1.28 O ATOM 1561 CB THR A 107 -0.706 -6.235 7.774 1.00 1.54 C ATOM 1562 OG1 THR A 107 -0.427 -7.575 8.098 1.00 1.84 O ATOM 1563 CG2 THR A 107 0.087 -5.879 6.519 1.00 1.89 C ATOM 0 H THR A 107 -1.781 -4.082 7.866 1.00 1.17 H new ATOM 0 HA THR A 107 -0.827 -5.812 9.877 1.00 1.30 H new ATOM 0 HB THR A 107 -1.762 -6.100 7.541 1.00 1.54 H new ATOM 0 HG1 THR A 107 -0.575 -8.139 7.311 1.00 1.84 H new ATOM 0 HG21 THR A 107 -0.133 -6.601 5.733 1.00 1.89 H new ATOM 0 HG22 THR A 107 -0.192 -4.880 6.183 1.00 1.89 H new ATOM 0 HG23 THR A 107 1.153 -5.901 6.744 1.00 1.89 H new ATOM 1571 N LEU A 108 1.506 -3.958 8.477 1.00 1.19 N ATOM 1572 CA LEU A 108 2.879 -3.455 8.555 1.00 1.17 C ATOM 1573 C LEU A 108 3.203 -2.848 9.932 1.00 1.07 C ATOM 1574 O LEU A 108 4.255 -3.133 10.503 1.00 1.06 O ATOM 1575 CB LEU A 108 3.042 -2.406 7.437 1.00 1.25 C ATOM 1576 CG LEU A 108 4.508 -2.126 7.066 1.00 0.75 C ATOM 1577 CD1 LEU A 108 5.042 -3.194 6.114 1.00 1.47 C ATOM 1578 CD2 LEU A 108 4.616 -0.781 6.359 1.00 0.79 C ATOM 0 H LEU A 108 0.953 -3.467 7.774 1.00 1.19 H new ATOM 0 HA LEU A 108 3.580 -4.280 8.424 1.00 1.17 H new ATOM 0 HB2 LEU A 108 2.510 -2.748 6.549 1.00 1.25 H new ATOM 0 HB3 LEU A 108 2.571 -1.475 7.752 1.00 1.25 H new ATOM 0 HG LEU A 108 5.089 -2.128 7.988 1.00 0.75 H new ATOM 0 HD11 LEU A 108 6.080 -2.974 5.866 1.00 1.47 H new ATOM 0 HD12 LEU A 108 4.982 -4.171 6.593 1.00 1.47 H new ATOM 0 HD13 LEU A 108 4.445 -3.200 5.202 1.00 1.47 H new ATOM 0 HD21 LEU A 108 5.657 -0.589 6.099 1.00 0.79 H new ATOM 0 HD22 LEU A 108 4.013 -0.798 5.451 1.00 0.79 H new ATOM 0 HD23 LEU A 108 4.256 0.007 7.020 1.00 0.79 H new ATOM 1590 N SER A 109 2.275 -2.056 10.485 1.00 1.04 N ATOM 1591 CA SER A 109 2.403 -1.472 11.825 1.00 1.01 C ATOM 1592 C SER A 109 2.347 -2.540 12.919 1.00 0.94 C ATOM 1593 O SER A 109 3.083 -2.444 13.900 1.00 0.94 O ATOM 1594 CB SER A 109 1.320 -0.407 12.042 1.00 1.11 C ATOM 1595 OG SER A 109 1.443 0.212 13.311 1.00 2.14 O ATOM 0 H SER A 109 1.408 -1.801 10.011 1.00 1.04 H new ATOM 0 HA SER A 109 3.382 -0.998 11.892 1.00 1.01 H new ATOM 0 HB2 SER A 109 1.390 0.349 11.260 1.00 1.11 H new ATOM 0 HB3 SER A 109 0.335 -0.866 11.954 1.00 1.11 H new ATOM 0 HG SER A 109 0.552 0.364 13.689 1.00 2.14 H new ATOM 1601 N GLN A 110 1.546 -3.596 12.736 1.00 0.99 N ATOM 1602 CA GLN A 110 1.444 -4.689 13.704 1.00 1.00 C ATOM 1603 C GLN A 110 2.722 -5.541 13.737 1.00 1.03 C ATOM 1604 O GLN A 110 3.215 -5.843 14.821 1.00 1.03 O ATOM 1605 CB GLN A 110 0.194 -5.529 13.388 1.00 1.14 C ATOM 1606 CG GLN A 110 -0.170 -6.537 14.483 1.00 1.24 C ATOM 1607 CD GLN A 110 -0.676 -5.823 15.720 1.00 1.35 C ATOM 1608 OE1 GLN A 110 -0.048 -5.795 16.774 1.00 1.42 O ATOM 1609 NE2 GLN A 110 -1.809 -5.168 15.624 1.00 1.57 N ATOM 0 H GLN A 110 0.953 -3.715 11.915 1.00 0.99 H new ATOM 0 HA GLN A 110 1.338 -4.270 14.705 1.00 1.00 H new ATOM 0 HB2 GLN A 110 -0.651 -4.859 13.229 1.00 1.14 H new ATOM 0 HB3 GLN A 110 0.356 -6.066 12.453 1.00 1.14 H new ATOM 0 HG2 GLN A 110 -0.933 -7.222 14.114 1.00 1.24 H new ATOM 0 HG3 GLN A 110 0.703 -7.139 14.736 1.00 1.24 H new ATOM 0 HE21 GLN A 110 -2.336 -5.187 14.751 1.00 1.57 H new ATOM 0 HE22 GLN A 110 -2.162 -4.640 16.422 1.00 1.57 H new ATOM 1618 N ILE A 111 3.301 -5.880 12.578 1.00 1.12 N ATOM 1619 CA ILE A 111 4.507 -6.726 12.470 1.00 1.23 C ATOM 1620 C ILE A 111 5.663 -6.175 13.322 1.00 1.18 C ATOM 1621 O ILE A 111 6.196 -6.894 14.169 1.00 1.25 O ATOM 1622 CB ILE A 111 4.894 -6.916 10.981 1.00 1.39 C ATOM 1623 CG1 ILE A 111 3.869 -7.848 10.291 1.00 1.53 C ATOM 1624 CG2 ILE A 111 6.310 -7.503 10.817 1.00 1.53 C ATOM 1625 CD1 ILE A 111 3.878 -7.753 8.757 1.00 1.73 C ATOM 0 H ILE A 111 2.943 -5.572 11.674 1.00 1.12 H new ATOM 0 HA ILE A 111 4.282 -7.712 12.877 1.00 1.23 H new ATOM 0 HB ILE A 111 4.886 -5.931 10.514 1.00 1.39 H new ATOM 0 HG12 ILE A 111 4.074 -8.878 10.583 1.00 1.53 H new ATOM 0 HG13 ILE A 111 2.870 -7.607 10.655 1.00 1.53 H new ATOM 0 HG21 ILE A 111 6.536 -7.618 9.757 1.00 1.53 H new ATOM 0 HG22 ILE A 111 7.037 -6.831 11.272 1.00 1.53 H new ATOM 0 HG23 ILE A 111 6.359 -8.476 11.306 1.00 1.53 H new ATOM 0 HD11 ILE A 111 3.134 -8.435 8.346 1.00 1.73 H new ATOM 0 HD12 ILE A 111 3.642 -6.733 8.454 1.00 1.73 H new ATOM 0 HD13 ILE A 111 4.865 -8.024 8.381 1.00 1.73 H new ATOM 1637 N VAL A 112 6.014 -4.891 13.189 1.00 1.12 N ATOM 1638 CA VAL A 112 7.108 -4.305 13.992 1.00 1.17 C ATOM 1639 C VAL A 112 6.783 -4.237 15.492 1.00 1.19 C ATOM 1640 O VAL A 112 7.676 -4.429 16.315 1.00 1.41 O ATOM 1641 CB VAL A 112 7.550 -2.927 13.461 1.00 1.18 C ATOM 1642 CG1 VAL A 112 8.088 -3.038 12.030 1.00 1.24 C ATOM 1643 CG2 VAL A 112 6.438 -1.869 13.480 1.00 1.13 C ATOM 0 H VAL A 112 5.567 -4.240 12.543 1.00 1.12 H new ATOM 0 HA VAL A 112 7.949 -4.990 13.880 1.00 1.17 H new ATOM 0 HB VAL A 112 8.333 -2.598 14.145 1.00 1.18 H new ATOM 0 HG11 VAL A 112 8.393 -2.052 11.679 1.00 1.24 H new ATOM 0 HG12 VAL A 112 8.946 -3.710 12.015 1.00 1.24 H new ATOM 0 HG13 VAL A 112 7.308 -3.430 11.377 1.00 1.24 H new ATOM 0 HG21 VAL A 112 6.825 -0.927 13.092 1.00 1.13 H new ATOM 0 HG22 VAL A 112 5.607 -2.203 12.859 1.00 1.13 H new ATOM 0 HG23 VAL A 112 6.091 -1.725 14.503 1.00 1.13 H new