USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 549 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 10 SER OG : rot 180:sc= 0.0127 USER MOD Set 1.2: A 12 GLN : amide:sc= -5.31! C(o=-5.3!,f=-8.5!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 56:sc= 0.0826 USER MOD Single : A 5 GLN : amide:sc= -0.425 K(o=-0.43,f=-1.2) USER MOD Single : A 7 SER OG : rot 180:sc= 0.285 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.84! K(o=-2.8!,f=-1.3) USER MOD Single : A 16 ASN : amide:sc=-0.00812 X(o=-0.0081,f=-0.27) USER MOD Single : A 22 SER OG : rot 180:sc= -0.0147 USER MOD Single : A 26 THR OG1 : rot -23:sc= 0.294 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00481 USER MOD Single : A 51 THR OG1 : rot -37:sc= 0.65 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0115 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.822 K(o=-0.82,f=0) USER MOD Single : A 72 SER OG : rot 170:sc= -3.18! USER MOD Single : A 83 THR OG1 : rot 180:sc=-0.00765 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.538 6.143 -0.598 1.00 5.63 N ATOM 2 CA GLY A 1 -16.679 6.281 -1.795 1.00 4.92 C ATOM 3 C GLY A 1 -15.647 5.179 -1.882 1.00 4.01 C ATOM 4 O GLY A 1 -14.519 5.333 -1.403 1.00 4.29 O ATOM 0 H1 GLY A 1 -18.231 6.918 -0.577 1.00 5.63 H new ATOM 0 H2 GLY A 1 -18.038 5.232 -0.633 1.00 5.63 H new ATOM 0 H3 GLY A 1 -16.949 6.182 0.258 1.00 5.63 H new ATOM 0 HA2 GLY A 1 -17.300 6.267 -2.691 1.00 4.92 H new ATOM 0 HA3 GLY A 1 -16.176 7.248 -1.771 1.00 4.92 H new ATOM 10 N SER A 2 -16.029 4.065 -2.491 1.00 3.39 N ATOM 11 CA SER A 2 -15.143 2.921 -2.614 1.00 2.92 C ATOM 12 C SER A 2 -14.154 3.110 -3.765 1.00 2.13 C ATOM 13 O SER A 2 -14.273 2.475 -4.817 1.00 2.36 O ATOM 14 CB SER A 2 -15.969 1.645 -2.807 1.00 3.61 C ATOM 15 OG SER A 2 -16.936 1.811 -3.831 1.00 4.28 O ATOM 0 H SER A 2 -16.950 3.931 -2.908 1.00 3.39 H new ATOM 0 HA SER A 2 -14.562 2.830 -1.696 1.00 2.92 H new ATOM 0 HB2 SER A 2 -15.308 0.815 -3.058 1.00 3.61 H new ATOM 0 HB3 SER A 2 -16.466 1.385 -1.872 1.00 3.61 H new ATOM 0 HG SER A 2 -16.491 2.085 -4.660 1.00 4.28 H new ATOM 21 N TRP A 3 -13.195 4.008 -3.555 1.00 1.93 N ATOM 22 CA TRP A 3 -12.106 4.226 -4.500 1.00 1.69 C ATOM 23 C TRP A 3 -11.101 5.221 -3.936 1.00 1.84 C ATOM 24 O TRP A 3 -9.965 4.863 -3.633 1.00 2.71 O ATOM 25 CB TRP A 3 -12.620 4.733 -5.856 1.00 2.33 C ATOM 26 CG TRP A 3 -11.516 4.986 -6.843 1.00 2.76 C ATOM 27 CD1 TRP A 3 -10.904 6.178 -7.111 1.00 3.47 C ATOM 28 CD2 TRP A 3 -10.888 4.017 -7.684 1.00 3.17 C ATOM 29 NE1 TRP A 3 -9.933 6.006 -8.068 1.00 4.11 N ATOM 30 CE2 TRP A 3 -9.906 4.687 -8.435 1.00 3.90 C ATOM 31 CE3 TRP A 3 -11.064 2.648 -7.871 1.00 3.49 C ATOM 32 CZ2 TRP A 3 -9.100 4.028 -9.361 1.00 4.62 C ATOM 33 CZ3 TRP A 3 -10.265 1.993 -8.790 1.00 4.30 C ATOM 34 CH2 TRP A 3 -9.294 2.684 -9.523 1.00 4.74 C ATOM 0 H TRP A 3 -13.152 4.603 -2.727 1.00 1.93 H new ATOM 0 HA TRP A 3 -11.620 3.263 -4.657 1.00 1.69 H new ATOM 0 HB2 TRP A 3 -13.312 4.002 -6.273 1.00 2.33 H new ATOM 0 HB3 TRP A 3 -13.183 5.654 -5.704 1.00 2.33 H new ATOM 0 HD1 TRP A 3 -11.148 7.118 -6.639 1.00 3.47 H new ATOM 0 HE1 TRP A 3 -9.332 6.740 -8.443 1.00 4.11 H new ATOM 0 HE3 TRP A 3 -11.811 2.108 -7.308 1.00 3.49 H new ATOM 0 HZ2 TRP A 3 -8.350 4.559 -9.929 1.00 4.62 H new ATOM 0 HZ3 TRP A 3 -10.392 0.932 -8.944 1.00 4.30 H new ATOM 0 HH2 TRP A 3 -8.684 2.144 -10.232 1.00 4.74 H new ATOM 45 N GLY A 4 -11.528 6.467 -3.787 1.00 1.61 N ATOM 46 CA GLY A 4 -10.604 7.513 -3.403 1.00 2.03 C ATOM 47 C GLY A 4 -10.992 8.235 -2.131 1.00 1.82 C ATOM 48 O GLY A 4 -10.125 8.797 -1.458 1.00 1.87 O ATOM 0 H GLY A 4 -12.492 6.771 -3.924 1.00 1.61 H new ATOM 0 HA2 GLY A 4 -9.612 7.080 -3.275 1.00 2.03 H new ATOM 0 HA3 GLY A 4 -10.533 8.238 -4.214 1.00 2.03 H new ATOM 52 N GLN A 5 -12.281 8.231 -1.790 1.00 1.92 N ATOM 53 CA GLN A 5 -12.753 8.961 -0.619 1.00 1.96 C ATOM 54 C GLN A 5 -12.085 8.451 0.651 1.00 1.53 C ATOM 55 O GLN A 5 -12.395 7.366 1.148 1.00 1.64 O ATOM 56 CB GLN A 5 -14.272 8.874 -0.495 1.00 2.55 C ATOM 57 CG GLN A 5 -15.011 9.652 -1.572 1.00 3.13 C ATOM 58 CD GLN A 5 -14.606 11.115 -1.618 1.00 3.34 C ATOM 59 OE1 GLN A 5 -14.234 11.705 -0.605 1.00 3.26 O ATOM 60 NE2 GLN A 5 -14.670 11.707 -2.797 1.00 4.17 N ATOM 0 H GLN A 5 -13.009 7.735 -2.304 1.00 1.92 H new ATOM 0 HA GLN A 5 -12.480 10.008 -0.751 1.00 1.96 H new ATOM 0 HB2 GLN A 5 -14.574 7.828 -0.541 1.00 2.55 H new ATOM 0 HB3 GLN A 5 -14.571 9.249 0.484 1.00 2.55 H new ATOM 0 HG2 GLN A 5 -14.818 9.195 -2.542 1.00 3.13 H new ATOM 0 HG3 GLN A 5 -16.084 9.581 -1.394 1.00 3.13 H new ATOM 0 HE21 GLN A 5 -14.984 11.183 -3.614 1.00 4.17 H new ATOM 0 HE22 GLN A 5 -14.406 12.688 -2.890 1.00 4.17 H new ATOM 69 N CYS A 6 -11.195 9.284 1.168 1.00 1.29 N ATOM 70 CA CYS A 6 -10.304 8.950 2.273 1.00 0.94 C ATOM 71 C CYS A 6 -9.219 10.007 2.325 1.00 0.96 C ATOM 72 O CYS A 6 -8.817 10.474 3.393 1.00 1.88 O ATOM 73 CB CYS A 6 -9.662 7.571 2.070 1.00 0.81 C ATOM 74 SG CYS A 6 -8.228 7.238 3.142 1.00 0.61 S ATOM 0 H CYS A 6 -11.068 10.236 0.823 1.00 1.29 H new ATOM 0 HA CYS A 6 -10.872 8.920 3.203 1.00 0.94 H new ATOM 0 HB2 CYS A 6 -10.416 6.804 2.246 1.00 0.81 H new ATOM 0 HB3 CYS A 6 -9.350 7.479 1.030 1.00 0.81 H new ATOM 79 N SER A 7 -8.771 10.388 1.139 1.00 0.91 N ATOM 80 CA SER A 7 -7.762 11.410 0.970 1.00 0.99 C ATOM 81 C SER A 7 -7.716 11.813 -0.504 1.00 1.25 C ATOM 82 O SER A 7 -8.667 11.557 -1.249 1.00 1.82 O ATOM 83 CB SER A 7 -6.395 10.892 1.441 1.00 1.55 C ATOM 84 OG SER A 7 -5.439 11.936 1.507 1.00 2.40 O ATOM 0 H SER A 7 -9.104 9.990 0.261 1.00 0.91 H new ATOM 0 HA SER A 7 -8.011 12.282 1.574 1.00 0.99 H new ATOM 0 HB2 SER A 7 -6.498 10.429 2.422 1.00 1.55 H new ATOM 0 HB3 SER A 7 -6.043 10.118 0.759 1.00 1.55 H new ATOM 0 HG SER A 7 -4.580 11.575 1.811 1.00 2.40 H new ATOM 90 N THR A 8 -6.626 12.423 -0.928 1.00 1.48 N ATOM 91 CA THR A 8 -6.473 12.837 -2.313 1.00 2.09 C ATOM 92 C THR A 8 -6.003 11.661 -3.180 1.00 1.70 C ATOM 93 O THR A 8 -5.993 11.740 -4.410 1.00 2.23 O ATOM 94 CB THR A 8 -5.469 14.002 -2.410 1.00 2.93 C ATOM 95 OG1 THR A 8 -5.741 14.954 -1.370 1.00 3.15 O ATOM 96 CG2 THR A 8 -5.557 14.699 -3.761 1.00 3.75 C ATOM 0 H THR A 8 -5.829 12.645 -0.331 1.00 1.48 H new ATOM 0 HA THR A 8 -7.442 13.172 -2.682 1.00 2.09 H new ATOM 0 HB THR A 8 -4.464 13.594 -2.298 1.00 2.93 H new ATOM 0 HG1 THR A 8 -5.102 15.695 -1.429 1.00 3.15 H new ATOM 0 HG21 THR A 8 -4.836 15.516 -3.797 1.00 3.75 H new ATOM 0 HG22 THR A 8 -5.336 13.985 -4.554 1.00 3.75 H new ATOM 0 HG23 THR A 8 -6.562 15.096 -3.901 1.00 3.75 H new ATOM 104 N GLY A 9 -5.654 10.558 -2.528 1.00 0.97 N ATOM 105 CA GLY A 9 -5.102 9.421 -3.235 1.00 0.72 C ATOM 106 C GLY A 9 -6.131 8.349 -3.545 1.00 0.71 C ATOM 107 O GLY A 9 -7.185 8.626 -4.125 1.00 1.12 O ATOM 0 H GLY A 9 -5.744 10.432 -1.520 1.00 0.97 H new ATOM 0 HA2 GLY A 9 -4.653 9.765 -4.167 1.00 0.72 H new ATOM 0 HA3 GLY A 9 -4.301 8.984 -2.638 1.00 0.72 H new ATOM 111 N SER A 10 -5.830 7.127 -3.129 1.00 0.38 N ATOM 112 CA SER A 10 -6.631 5.962 -3.470 1.00 0.39 C ATOM 113 C SER A 10 -6.679 4.997 -2.286 1.00 0.28 C ATOM 114 O SER A 10 -5.807 5.032 -1.421 1.00 0.29 O ATOM 115 CB SER A 10 -6.035 5.271 -4.705 1.00 0.52 C ATOM 116 OG SER A 10 -6.841 4.188 -5.142 1.00 0.96 O ATOM 0 H SER A 10 -5.021 6.916 -2.544 1.00 0.38 H new ATOM 0 HA SER A 10 -7.649 6.277 -3.700 1.00 0.39 H new ATOM 0 HB2 SER A 10 -5.931 5.996 -5.512 1.00 0.52 H new ATOM 0 HB3 SER A 10 -5.034 4.908 -4.471 1.00 0.52 H new ATOM 0 HG SER A 10 -6.432 3.773 -5.930 1.00 0.96 H new ATOM 122 N ILE A 11 -7.732 4.196 -2.206 1.00 0.32 N ATOM 123 CA ILE A 11 -7.832 3.174 -1.172 1.00 0.27 C ATOM 124 C ILE A 11 -7.540 1.799 -1.747 1.00 0.20 C ATOM 125 O ILE A 11 -7.970 1.466 -2.852 1.00 0.26 O ATOM 126 CB ILE A 11 -9.222 3.150 -0.519 1.00 0.39 C ATOM 127 CG1 ILE A 11 -9.555 4.519 0.035 1.00 0.50 C ATOM 128 CG2 ILE A 11 -9.285 2.109 0.592 1.00 0.40 C ATOM 129 CD1 ILE A 11 -10.891 4.554 0.725 1.00 0.96 C ATOM 0 H ILE A 11 -8.528 4.233 -2.843 1.00 0.32 H new ATOM 0 HA ILE A 11 -7.093 3.426 -0.411 1.00 0.27 H new ATOM 0 HB ILE A 11 -9.954 2.881 -1.281 1.00 0.39 H new ATOM 0 HG12 ILE A 11 -8.779 4.821 0.738 1.00 0.50 H new ATOM 0 HG13 ILE A 11 -9.550 5.246 -0.777 1.00 0.50 H new ATOM 0 HG21 ILE A 11 -10.280 2.112 1.038 1.00 0.40 H new ATOM 0 HG22 ILE A 11 -9.076 1.122 0.178 1.00 0.40 H new ATOM 0 HG23 ILE A 11 -8.544 2.347 1.356 1.00 0.40 H new ATOM 0 HD11 ILE A 11 -11.079 5.559 1.103 1.00 0.96 H new ATOM 0 HD12 ILE A 11 -11.673 4.280 0.017 1.00 0.96 H new ATOM 0 HD13 ILE A 11 -10.890 3.848 1.556 1.00 0.96 H new ATOM 141 N GLN A 12 -6.825 0.997 -0.983 1.00 0.13 N ATOM 142 CA GLN A 12 -6.460 -0.350 -1.410 1.00 0.10 C ATOM 143 C GLN A 12 -6.317 -1.296 -0.228 1.00 0.11 C ATOM 144 O GLN A 12 -6.231 -0.878 0.923 1.00 0.17 O ATOM 145 CB GLN A 12 -5.171 -0.384 -2.254 1.00 0.12 C ATOM 146 CG GLN A 12 -4.148 0.701 -1.946 1.00 0.22 C ATOM 147 CD GLN A 12 -4.417 2.006 -2.674 1.00 0.39 C ATOM 148 OE1 GLN A 12 -4.131 3.075 -2.154 1.00 0.91 O ATOM 149 NE2 GLN A 12 -4.936 1.930 -3.895 1.00 0.35 N ATOM 0 H GLN A 12 -6.481 1.252 -0.057 1.00 0.13 H new ATOM 0 HA GLN A 12 -7.282 -0.687 -2.041 1.00 0.10 H new ATOM 0 HB2 GLN A 12 -4.695 -1.355 -2.117 1.00 0.12 H new ATOM 0 HB3 GLN A 12 -5.446 -0.309 -3.306 1.00 0.12 H new ATOM 0 HG2 GLN A 12 -4.139 0.888 -0.872 1.00 0.22 H new ATOM 0 HG3 GLN A 12 -3.155 0.341 -2.215 1.00 0.22 H new ATOM 0 HE21 GLN A 12 -5.162 1.020 -4.297 1.00 0.35 H new ATOM 0 HE22 GLN A 12 -5.108 2.781 -4.430 1.00 0.35 H new ATOM 158 N CYS A 13 -6.323 -2.580 -0.533 1.00 0.12 N ATOM 159 CA CYS A 13 -6.156 -3.617 0.466 1.00 0.16 C ATOM 160 C CYS A 13 -4.871 -4.373 0.180 1.00 0.13 C ATOM 161 O CYS A 13 -4.794 -5.161 -0.767 1.00 0.15 O ATOM 162 CB CYS A 13 -7.367 -4.559 0.478 1.00 0.25 C ATOM 163 SG CYS A 13 -7.113 -6.101 1.423 1.00 0.34 S ATOM 0 H CYS A 13 -6.444 -2.933 -1.482 1.00 0.12 H new ATOM 0 HA CYS A 13 -6.090 -3.166 1.456 1.00 0.16 H new ATOM 0 HB2 CYS A 13 -8.222 -4.027 0.896 1.00 0.25 H new ATOM 0 HB3 CYS A 13 -7.623 -4.815 -0.550 1.00 0.25 H new ATOM 168 N CYS A 14 -3.861 -4.100 0.987 1.00 0.12 N ATOM 169 CA CYS A 14 -2.527 -4.625 0.762 1.00 0.12 C ATOM 170 C CYS A 14 -2.374 -6.007 1.353 1.00 0.15 C ATOM 171 O CYS A 14 -2.865 -6.289 2.444 1.00 0.19 O ATOM 172 CB CYS A 14 -1.476 -3.703 1.377 1.00 0.14 C ATOM 173 SG CYS A 14 -1.310 -2.082 0.558 1.00 0.13 S ATOM 0 H CYS A 14 -3.943 -3.510 1.815 1.00 0.12 H new ATOM 0 HA CYS A 14 -2.379 -4.683 -0.316 1.00 0.12 H new ATOM 0 HB2 CYS A 14 -1.724 -3.541 2.426 1.00 0.14 H new ATOM 0 HB3 CYS A 14 -0.510 -4.208 1.352 1.00 0.14 H new ATOM 178 N GLN A 15 -1.689 -6.860 0.612 1.00 0.15 N ATOM 179 CA GLN A 15 -1.363 -8.190 1.070 1.00 0.16 C ATOM 180 C GLN A 15 -0.222 -8.104 2.083 1.00 0.18 C ATOM 181 O GLN A 15 -0.133 -8.909 3.012 1.00 0.23 O ATOM 182 CB GLN A 15 -1.025 -9.085 -0.149 1.00 0.17 C ATOM 183 CG GLN A 15 0.431 -9.526 -0.286 1.00 0.23 C ATOM 184 CD GLN A 15 0.830 -10.592 0.721 1.00 0.31 C ATOM 185 OE1 GLN A 15 1.988 -10.670 1.133 1.00 0.38 O ATOM 186 NE2 GLN A 15 -0.130 -11.415 1.126 1.00 0.33 N ATOM 0 H GLN A 15 -1.345 -6.646 -0.324 1.00 0.15 H new ATOM 0 HA GLN A 15 -2.212 -8.649 1.577 1.00 0.16 H new ATOM 0 HB2 GLN A 15 -1.649 -9.977 -0.101 1.00 0.17 H new ATOM 0 HB3 GLN A 15 -1.306 -8.548 -1.055 1.00 0.17 H new ATOM 0 HG2 GLN A 15 0.595 -9.907 -1.294 1.00 0.23 H new ATOM 0 HG3 GLN A 15 1.080 -8.659 -0.164 1.00 0.23 H new ATOM 0 HE21 GLN A 15 -1.076 -11.315 0.759 1.00 0.33 H new ATOM 0 HE22 GLN A 15 0.079 -12.147 1.804 1.00 0.33 H new ATOM 195 N ASN A 16 0.631 -7.101 1.909 1.00 0.17 N ATOM 196 CA ASN A 16 1.749 -6.875 2.815 1.00 0.21 C ATOM 197 C ASN A 16 1.876 -5.402 3.149 1.00 0.21 C ATOM 198 O ASN A 16 2.225 -4.600 2.293 1.00 0.40 O ATOM 199 CB ASN A 16 3.057 -7.319 2.182 1.00 0.29 C ATOM 200 CG ASN A 16 3.940 -8.084 3.139 1.00 0.62 C ATOM 201 OD1 ASN A 16 3.941 -7.837 4.345 1.00 1.03 O ATOM 202 ND2 ASN A 16 4.688 -9.029 2.602 1.00 0.75 N ATOM 0 H ASN A 16 0.568 -6.429 1.144 1.00 0.17 H new ATOM 0 HA ASN A 16 1.554 -7.454 3.718 1.00 0.21 H new ATOM 0 HB2 ASN A 16 2.842 -7.943 1.315 1.00 0.29 H new ATOM 0 HB3 ASN A 16 3.595 -6.444 1.819 1.00 0.29 H new ATOM 0 HD21 ASN A 16 5.301 -9.591 3.192 1.00 0.75 H new ATOM 0 HD22 ASN A 16 4.653 -9.197 1.597 1.00 0.75 H new ATOM 209 N VAL A 17 1.601 -5.046 4.382 1.00 0.16 N ATOM 210 CA VAL A 17 1.791 -3.676 4.829 1.00 0.13 C ATOM 211 C VAL A 17 3.070 -3.575 5.641 1.00 0.14 C ATOM 212 O VAL A 17 3.139 -4.049 6.777 1.00 0.18 O ATOM 213 CB VAL A 17 0.597 -3.162 5.658 1.00 0.14 C ATOM 214 CG1 VAL A 17 0.857 -1.749 6.163 1.00 0.17 C ATOM 215 CG2 VAL A 17 -0.672 -3.204 4.828 1.00 0.14 C ATOM 0 H VAL A 17 1.245 -5.681 5.096 1.00 0.16 H new ATOM 0 HA VAL A 17 1.864 -3.047 3.942 1.00 0.13 H new ATOM 0 HB VAL A 17 0.472 -3.813 6.523 1.00 0.14 H new ATOM 0 HG11 VAL A 17 0.001 -1.407 6.745 1.00 0.17 H new ATOM 0 HG12 VAL A 17 1.748 -1.745 6.791 1.00 0.17 H new ATOM 0 HG13 VAL A 17 1.008 -1.082 5.315 1.00 0.17 H new ATOM 0 HG21 VAL A 17 -1.509 -2.839 5.424 1.00 0.14 H new ATOM 0 HG22 VAL A 17 -0.551 -2.574 3.947 1.00 0.14 H new ATOM 0 HG23 VAL A 17 -0.869 -4.230 4.516 1.00 0.14 H new ATOM 225 N VAL A 18 4.087 -2.984 5.041 1.00 0.12 N ATOM 226 CA VAL A 18 5.383 -2.854 5.682 1.00 0.13 C ATOM 227 C VAL A 18 5.930 -1.445 5.500 1.00 0.12 C ATOM 228 O VAL A 18 5.729 -0.823 4.458 1.00 0.12 O ATOM 229 CB VAL A 18 6.403 -3.868 5.110 1.00 0.13 C ATOM 230 CG1 VAL A 18 6.059 -5.286 5.538 1.00 0.18 C ATOM 231 CG2 VAL A 18 6.465 -3.773 3.593 1.00 0.13 C ATOM 0 H VAL A 18 4.040 -2.584 4.104 1.00 0.12 H new ATOM 0 HA VAL A 18 5.240 -3.060 6.743 1.00 0.13 H new ATOM 0 HB VAL A 18 7.385 -3.618 5.512 1.00 0.13 H new ATOM 0 HG11 VAL A 18 6.791 -5.979 5.123 1.00 0.18 H new ATOM 0 HG12 VAL A 18 6.074 -5.351 6.626 1.00 0.18 H new ATOM 0 HG13 VAL A 18 5.066 -5.546 5.172 1.00 0.18 H new ATOM 0 HG21 VAL A 18 7.188 -4.494 3.213 1.00 0.13 H new ATOM 0 HG22 VAL A 18 5.482 -3.989 3.174 1.00 0.13 H new ATOM 0 HG23 VAL A 18 6.769 -2.767 3.304 1.00 0.13 H new ATOM 241 N PRO A 19 6.590 -0.906 6.531 1.00 0.14 N ATOM 242 CA PRO A 19 7.298 0.367 6.425 1.00 0.15 C ATOM 243 C PRO A 19 8.376 0.309 5.349 1.00 0.12 C ATOM 244 O PRO A 19 9.093 -0.683 5.232 1.00 0.10 O ATOM 245 CB PRO A 19 7.916 0.561 7.813 1.00 0.17 C ATOM 246 CG PRO A 19 7.123 -0.317 8.719 1.00 0.19 C ATOM 247 CD PRO A 19 6.675 -1.479 7.883 1.00 0.17 C ATOM 0 HA PRO A 19 6.641 1.189 6.139 1.00 0.15 H new ATOM 0 HB2 PRO A 19 8.970 0.282 7.817 1.00 0.17 H new ATOM 0 HB3 PRO A 19 7.861 1.603 8.127 1.00 0.17 H new ATOM 0 HG2 PRO A 19 7.726 -0.653 9.563 1.00 0.19 H new ATOM 0 HG3 PRO A 19 6.268 0.219 9.132 1.00 0.19 H new ATOM 0 HD2 PRO A 19 7.386 -2.304 7.927 1.00 0.17 H new ATOM 0 HD3 PRO A 19 5.713 -1.868 8.217 1.00 0.17 H new ATOM 255 N GLY A 20 8.472 1.368 4.557 1.00 0.14 N ATOM 256 CA GLY A 20 9.422 1.401 3.462 1.00 0.13 C ATOM 257 C GLY A 20 10.860 1.348 3.935 1.00 0.14 C ATOM 258 O GLY A 20 11.743 0.907 3.204 1.00 0.18 O ATOM 0 H GLY A 20 7.905 2.210 4.654 1.00 0.14 H new ATOM 0 HA2 GLY A 20 9.232 0.560 2.796 1.00 0.13 H new ATOM 0 HA3 GLY A 20 9.268 2.310 2.880 1.00 0.13 H new ATOM 262 N ASP A 21 11.096 1.796 5.159 1.00 0.17 N ATOM 263 CA ASP A 21 12.426 1.737 5.755 1.00 0.21 C ATOM 264 C ASP A 21 12.523 0.550 6.712 1.00 0.19 C ATOM 265 O ASP A 21 13.518 0.366 7.413 1.00 0.23 O ATOM 266 CB ASP A 21 12.740 3.046 6.476 1.00 0.31 C ATOM 267 CG ASP A 21 14.129 3.089 7.080 1.00 1.23 C ATOM 268 OD1 ASP A 21 14.249 3.258 8.314 1.00 1.22 O ATOM 269 OD2 ASP A 21 15.109 2.938 6.318 1.00 2.27 O ATOM 0 H ASP A 21 10.383 2.206 5.762 1.00 0.17 H new ATOM 0 HA ASP A 21 13.163 1.599 4.964 1.00 0.21 H new ATOM 0 HB2 ASP A 21 12.633 3.873 5.774 1.00 0.31 H new ATOM 0 HB3 ASP A 21 12.005 3.201 7.266 1.00 0.31 H new ATOM 274 N SER A 22 11.481 -0.264 6.729 1.00 0.16 N ATOM 275 CA SER A 22 11.497 -1.496 7.494 1.00 0.17 C ATOM 276 C SER A 22 12.471 -2.467 6.861 1.00 0.16 C ATOM 277 O SER A 22 12.739 -2.379 5.665 1.00 0.14 O ATOM 278 CB SER A 22 10.100 -2.123 7.548 1.00 0.18 C ATOM 279 OG SER A 22 10.131 -3.433 8.087 1.00 0.24 O ATOM 0 H SER A 22 10.613 -0.092 6.221 1.00 0.16 H new ATOM 0 HA SER A 22 11.810 -1.271 8.514 1.00 0.17 H new ATOM 0 HB2 SER A 22 9.444 -1.497 8.153 1.00 0.18 H new ATOM 0 HB3 SER A 22 9.676 -2.153 6.544 1.00 0.18 H new ATOM 0 HG SER A 22 9.223 -3.800 8.107 1.00 0.24 H new ATOM 285 N ASP A 23 12.995 -3.386 7.647 1.00 0.20 N ATOM 286 CA ASP A 23 13.897 -4.400 7.124 1.00 0.22 C ATOM 287 C ASP A 23 13.245 -5.111 5.952 1.00 0.20 C ATOM 288 O ASP A 23 13.871 -5.332 4.913 1.00 0.22 O ATOM 289 CB ASP A 23 14.254 -5.413 8.209 1.00 0.29 C ATOM 290 CG ASP A 23 15.170 -4.839 9.268 1.00 0.59 C ATOM 291 OD1 ASP A 23 14.666 -4.206 10.218 1.00 1.06 O ATOM 292 OD2 ASP A 23 16.401 -5.019 9.158 1.00 0.61 O ATOM 0 H ASP A 23 12.814 -3.454 8.649 1.00 0.20 H new ATOM 0 HA ASP A 23 14.813 -3.912 6.789 1.00 0.22 H new ATOM 0 HB2 ASP A 23 13.339 -5.770 8.681 1.00 0.29 H new ATOM 0 HB3 ASP A 23 14.734 -6.277 7.749 1.00 0.29 H new ATOM 297 N LEU A 24 11.970 -5.428 6.120 1.00 0.20 N ATOM 298 CA LEU A 24 11.196 -6.068 5.072 1.00 0.21 C ATOM 299 C LEU A 24 10.892 -5.096 3.946 1.00 0.17 C ATOM 300 O LEU A 24 11.265 -5.335 2.804 1.00 0.18 O ATOM 301 CB LEU A 24 9.895 -6.632 5.634 1.00 0.26 C ATOM 302 CG LEU A 24 9.900 -8.136 5.888 1.00 0.35 C ATOM 303 CD1 LEU A 24 10.095 -8.887 4.576 1.00 1.03 C ATOM 304 CD2 LEU A 24 10.984 -8.508 6.889 1.00 1.11 C ATOM 0 H LEU A 24 11.449 -5.250 6.978 1.00 0.20 H new ATOM 0 HA LEU A 24 11.794 -6.886 4.671 1.00 0.21 H new ATOM 0 HB2 LEU A 24 9.670 -6.122 6.570 1.00 0.26 H new ATOM 0 HB3 LEU A 24 9.086 -6.399 4.941 1.00 0.26 H new ATOM 0 HG LEU A 24 8.938 -8.422 6.313 1.00 0.35 H new ATOM 0 HD11 LEU A 24 10.097 -9.960 4.768 1.00 1.03 H new ATOM 0 HD12 LEU A 24 9.282 -8.642 3.892 1.00 1.03 H new ATOM 0 HD13 LEU A 24 11.045 -8.597 4.128 1.00 1.03 H new ATOM 0 HD21 LEU A 24 10.971 -9.585 7.056 1.00 1.11 H new ATOM 0 HD22 LEU A 24 11.958 -8.214 6.497 1.00 1.11 H new ATOM 0 HD23 LEU A 24 10.801 -7.992 7.832 1.00 1.11 H new ATOM 316 N GLY A 25 10.236 -3.991 4.288 1.00 0.14 N ATOM 317 CA GLY A 25 9.828 -3.016 3.288 1.00 0.12 C ATOM 318 C GLY A 25 10.974 -2.547 2.419 1.00 0.12 C ATOM 319 O GLY A 25 10.832 -2.422 1.203 1.00 0.16 O ATOM 0 H GLY A 25 9.978 -3.751 5.245 1.00 0.14 H new ATOM 0 HA2 GLY A 25 9.055 -3.453 2.656 1.00 0.12 H new ATOM 0 HA3 GLY A 25 9.382 -2.156 3.788 1.00 0.12 H new ATOM 323 N THR A 26 12.121 -2.325 3.038 1.00 0.13 N ATOM 324 CA THR A 26 13.298 -1.865 2.326 1.00 0.16 C ATOM 325 C THR A 26 13.808 -2.951 1.386 1.00 0.20 C ATOM 326 O THR A 26 14.196 -2.671 0.257 1.00 0.24 O ATOM 327 CB THR A 26 14.407 -1.434 3.309 1.00 0.18 C ATOM 328 OG1 THR A 26 13.949 -0.328 4.097 1.00 0.20 O ATOM 329 CG2 THR A 26 15.677 -1.027 2.584 1.00 0.23 C ATOM 0 H THR A 26 12.261 -2.458 4.040 1.00 0.13 H new ATOM 0 HA THR A 26 13.018 -0.994 1.733 1.00 0.16 H new ATOM 0 HB THR A 26 14.634 -2.290 3.945 1.00 0.18 H new ATOM 0 HG1 THR A 26 13.234 0.141 3.618 1.00 0.20 H new ATOM 0 HG21 THR A 26 16.432 -0.731 3.312 1.00 0.23 H new ATOM 0 HG22 THR A 26 16.047 -1.869 1.999 1.00 0.23 H new ATOM 0 HG23 THR A 26 15.464 -0.189 1.920 1.00 0.23 H new ATOM 337 N LEU A 27 13.760 -4.194 1.846 1.00 0.21 N ATOM 338 CA LEU A 27 14.185 -5.324 1.035 1.00 0.28 C ATOM 339 C LEU A 27 13.209 -5.514 -0.122 1.00 0.29 C ATOM 340 O LEU A 27 13.605 -5.840 -1.243 1.00 0.34 O ATOM 341 CB LEU A 27 14.262 -6.594 1.905 1.00 0.33 C ATOM 342 CG LEU A 27 15.056 -7.780 1.330 1.00 0.57 C ATOM 343 CD1 LEU A 27 14.273 -8.499 0.243 1.00 1.01 C ATOM 344 CD2 LEU A 27 16.401 -7.316 0.793 1.00 1.00 C ATOM 0 H LEU A 27 13.430 -4.444 2.778 1.00 0.21 H new ATOM 0 HA LEU A 27 15.177 -5.131 0.626 1.00 0.28 H new ATOM 0 HB2 LEU A 27 14.703 -6.323 2.864 1.00 0.33 H new ATOM 0 HB3 LEU A 27 13.245 -6.931 2.106 1.00 0.33 H new ATOM 0 HG LEU A 27 15.228 -8.486 2.143 1.00 0.57 H new ATOM 0 HD11 LEU A 27 14.863 -9.331 -0.141 1.00 1.01 H new ATOM 0 HD12 LEU A 27 13.339 -8.878 0.658 1.00 1.01 H new ATOM 0 HD13 LEU A 27 14.055 -7.804 -0.568 1.00 1.01 H new ATOM 0 HD21 LEU A 27 16.946 -8.170 0.391 1.00 1.00 H new ATOM 0 HD22 LEU A 27 16.244 -6.581 0.003 1.00 1.00 H new ATOM 0 HD23 LEU A 27 16.978 -6.864 1.599 1.00 1.00 H new ATOM 356 N LEU A 28 11.933 -5.271 0.154 1.00 0.27 N ATOM 357 CA LEU A 28 10.890 -5.461 -0.839 1.00 0.31 C ATOM 358 C LEU A 28 11.035 -4.442 -1.962 1.00 0.32 C ATOM 359 O LEU A 28 11.007 -4.795 -3.139 1.00 0.37 O ATOM 360 CB LEU A 28 9.495 -5.349 -0.208 1.00 0.31 C ATOM 361 CG LEU A 28 9.203 -6.301 0.961 1.00 0.31 C ATOM 362 CD1 LEU A 28 7.708 -6.398 1.211 1.00 0.34 C ATOM 363 CD2 LEU A 28 9.795 -7.674 0.704 1.00 0.37 C ATOM 0 H LEU A 28 11.598 -4.942 1.060 1.00 0.27 H new ATOM 0 HA LEU A 28 11.000 -6.465 -1.250 1.00 0.31 H new ATOM 0 HB2 LEU A 28 9.358 -4.325 0.141 1.00 0.31 H new ATOM 0 HB3 LEU A 28 8.752 -5.523 -0.986 1.00 0.31 H new ATOM 0 HG LEU A 28 9.675 -5.894 1.855 1.00 0.31 H new ATOM 0 HD11 LEU A 28 7.522 -7.077 2.043 1.00 0.34 H new ATOM 0 HD12 LEU A 28 7.315 -5.411 1.453 1.00 0.34 H new ATOM 0 HD13 LEU A 28 7.213 -6.776 0.316 1.00 0.34 H new ATOM 0 HD21 LEU A 28 9.574 -8.329 1.547 1.00 0.37 H new ATOM 0 HD22 LEU A 28 9.362 -8.093 -0.204 1.00 0.37 H new ATOM 0 HD23 LEU A 28 10.875 -7.588 0.585 1.00 0.37 H new ATOM 375 N LEU A 29 11.216 -3.180 -1.599 1.00 0.30 N ATOM 376 CA LEU A 29 11.334 -2.129 -2.597 1.00 0.32 C ATOM 377 C LEU A 29 12.714 -2.122 -3.233 1.00 0.36 C ATOM 378 O LEU A 29 12.885 -1.617 -4.337 1.00 0.41 O ATOM 379 CB LEU A 29 10.988 -0.757 -1.998 1.00 0.30 C ATOM 380 CG LEU A 29 11.841 -0.261 -0.819 1.00 0.29 C ATOM 381 CD1 LEU A 29 13.222 0.204 -1.265 1.00 0.31 C ATOM 382 CD2 LEU A 29 11.125 0.872 -0.117 1.00 0.31 C ATOM 0 H LEU A 29 11.284 -2.862 -0.632 1.00 0.30 H new ATOM 0 HA LEU A 29 10.612 -2.339 -3.386 1.00 0.32 H new ATOM 0 HB2 LEU A 29 11.053 -0.016 -2.795 1.00 0.30 H new ATOM 0 HB3 LEU A 29 9.948 -0.785 -1.672 1.00 0.30 H new ATOM 0 HG LEU A 29 11.981 -1.099 -0.136 1.00 0.29 H new ATOM 0 HD11 LEU A 29 13.788 0.545 -0.399 1.00 0.31 H new ATOM 0 HD12 LEU A 29 13.749 -0.624 -1.740 1.00 0.31 H new ATOM 0 HD13 LEU A 29 13.118 1.023 -1.976 1.00 0.31 H new ATOM 0 HD21 LEU A 29 11.731 1.223 0.719 1.00 0.31 H new ATOM 0 HD22 LEU A 29 10.965 1.691 -0.818 1.00 0.31 H new ATOM 0 HD23 LEU A 29 10.163 0.519 0.255 1.00 0.31 H new ATOM 394 N ASP A 30 13.695 -2.675 -2.537 1.00 0.34 N ATOM 395 CA ASP A 30 15.036 -2.811 -3.094 1.00 0.39 C ATOM 396 C ASP A 30 15.016 -3.835 -4.212 1.00 0.43 C ATOM 397 O ASP A 30 15.757 -3.734 -5.186 1.00 0.49 O ATOM 398 CB ASP A 30 16.033 -3.240 -2.021 1.00 0.41 C ATOM 399 CG ASP A 30 17.462 -3.214 -2.518 1.00 0.54 C ATOM 400 OD1 ASP A 30 18.019 -4.297 -2.800 1.00 0.66 O ATOM 401 OD2 ASP A 30 18.032 -2.112 -2.641 1.00 0.63 O ATOM 0 H ASP A 30 13.591 -3.036 -1.589 1.00 0.34 H new ATOM 0 HA ASP A 30 15.349 -1.843 -3.484 1.00 0.39 H new ATOM 0 HB2 ASP A 30 15.939 -2.581 -1.158 1.00 0.41 H new ATOM 0 HB3 ASP A 30 15.787 -4.246 -1.682 1.00 0.41 H new ATOM 406 N GLU A 31 14.131 -4.808 -4.058 1.00 0.43 N ATOM 407 CA GLU A 31 13.914 -5.831 -5.054 1.00 0.49 C ATOM 408 C GLU A 31 13.227 -5.217 -6.264 1.00 0.51 C ATOM 409 O GLU A 31 13.325 -5.710 -7.387 1.00 0.62 O ATOM 410 CB GLU A 31 13.030 -6.917 -4.450 1.00 0.52 C ATOM 411 CG GLU A 31 13.132 -8.239 -5.163 1.00 0.97 C ATOM 412 CD GLU A 31 12.223 -9.296 -4.570 1.00 1.46 C ATOM 413 OE1 GLU A 31 10.999 -9.239 -4.810 1.00 1.76 O ATOM 414 OE2 GLU A 31 12.726 -10.193 -3.862 1.00 2.07 O ATOM 0 H GLU A 31 13.542 -4.905 -3.231 1.00 0.43 H new ATOM 0 HA GLU A 31 14.865 -6.263 -5.367 1.00 0.49 H new ATOM 0 HB2 GLU A 31 13.302 -7.056 -3.404 1.00 0.52 H new ATOM 0 HB3 GLU A 31 11.993 -6.582 -4.468 1.00 0.52 H new ATOM 0 HG2 GLU A 31 12.882 -8.100 -6.215 1.00 0.97 H new ATOM 0 HG3 GLU A 31 14.163 -8.589 -5.124 1.00 0.97 H new ATOM 421 N LEU A 32 12.539 -4.119 -6.007 1.00 0.52 N ATOM 422 CA LEU A 32 11.745 -3.437 -7.009 1.00 0.58 C ATOM 423 C LEU A 32 12.493 -2.246 -7.609 1.00 0.61 C ATOM 424 O LEU A 32 12.109 -1.723 -8.654 1.00 0.71 O ATOM 425 CB LEU A 32 10.439 -2.976 -6.365 1.00 0.56 C ATOM 426 CG LEU A 32 9.468 -4.094 -5.986 1.00 0.57 C ATOM 427 CD1 LEU A 32 8.226 -3.517 -5.327 1.00 0.57 C ATOM 428 CD2 LEU A 32 9.090 -4.917 -7.209 1.00 0.64 C ATOM 0 H LEU A 32 12.516 -3.674 -5.090 1.00 0.52 H new ATOM 0 HA LEU A 32 11.539 -4.128 -7.826 1.00 0.58 H new ATOM 0 HB2 LEU A 32 10.677 -2.404 -5.468 1.00 0.56 H new ATOM 0 HB3 LEU A 32 9.935 -2.296 -7.052 1.00 0.56 H new ATOM 0 HG LEU A 32 9.965 -4.752 -5.273 1.00 0.57 H new ATOM 0 HD11 LEU A 32 7.545 -4.326 -5.063 1.00 0.57 H new ATOM 0 HD12 LEU A 32 8.511 -2.974 -4.426 1.00 0.57 H new ATOM 0 HD13 LEU A 32 7.730 -2.836 -6.019 1.00 0.57 H new ATOM 0 HD21 LEU A 32 8.398 -5.707 -6.916 1.00 0.64 H new ATOM 0 HD22 LEU A 32 8.613 -4.273 -7.948 1.00 0.64 H new ATOM 0 HD23 LEU A 32 9.987 -5.362 -7.640 1.00 0.64 H new ATOM 440 N GLY A 33 13.558 -1.826 -6.936 1.00 0.57 N ATOM 441 CA GLY A 33 14.351 -0.706 -7.406 1.00 0.62 C ATOM 442 C GLY A 33 13.699 0.633 -7.120 1.00 0.63 C ATOM 443 O GLY A 33 13.874 1.588 -7.876 1.00 0.75 O ATOM 0 H GLY A 33 13.888 -2.245 -6.067 1.00 0.57 H new ATOM 0 HA2 GLY A 33 15.332 -0.736 -6.932 1.00 0.62 H new ATOM 0 HA3 GLY A 33 14.512 -0.805 -8.479 1.00 0.62 H new ATOM 447 N ILE A 34 12.947 0.709 -6.030 1.00 0.54 N ATOM 448 CA ILE A 34 12.237 1.935 -5.677 1.00 0.58 C ATOM 449 C ILE A 34 13.051 2.766 -4.691 1.00 0.65 C ATOM 450 O ILE A 34 13.685 2.225 -3.787 1.00 0.68 O ATOM 451 CB ILE A 34 10.862 1.631 -5.044 1.00 0.51 C ATOM 452 CG1 ILE A 34 10.094 0.616 -5.894 1.00 0.55 C ATOM 453 CG2 ILE A 34 10.052 2.911 -4.889 1.00 0.58 C ATOM 454 CD1 ILE A 34 8.790 0.174 -5.273 1.00 0.56 C ATOM 0 H ILE A 34 12.812 -0.061 -5.375 1.00 0.54 H new ATOM 0 HA ILE A 34 12.090 2.493 -6.602 1.00 0.58 H new ATOM 0 HB ILE A 34 11.026 1.202 -4.055 1.00 0.51 H new ATOM 0 HG12 ILE A 34 9.892 1.052 -6.872 1.00 0.55 H new ATOM 0 HG13 ILE A 34 10.724 -0.258 -6.059 1.00 0.55 H new ATOM 0 HG21 ILE A 34 9.086 2.678 -4.441 1.00 0.58 H new ATOM 0 HG22 ILE A 34 10.591 3.607 -4.247 1.00 0.58 H new ATOM 0 HG23 ILE A 34 9.898 3.365 -5.868 1.00 0.58 H new ATOM 0 HD11 ILE A 34 8.300 -0.545 -5.929 1.00 0.56 H new ATOM 0 HD12 ILE A 34 8.986 -0.292 -4.307 1.00 0.56 H new ATOM 0 HD13 ILE A 34 8.142 1.039 -5.133 1.00 0.56 H new ATOM 466 N VAL A 35 13.033 4.079 -4.872 1.00 0.77 N ATOM 467 CA VAL A 35 13.699 4.985 -3.951 1.00 0.89 C ATOM 468 C VAL A 35 12.704 6.017 -3.436 1.00 0.74 C ATOM 469 O VAL A 35 12.365 6.972 -4.134 1.00 0.90 O ATOM 470 CB VAL A 35 14.890 5.710 -4.610 1.00 1.24 C ATOM 471 CG1 VAL A 35 15.629 6.559 -3.587 1.00 1.84 C ATOM 472 CG2 VAL A 35 15.835 4.711 -5.265 1.00 1.87 C ATOM 0 H VAL A 35 12.563 4.540 -5.651 1.00 0.77 H new ATOM 0 HA VAL A 35 14.086 4.387 -3.126 1.00 0.89 H new ATOM 0 HB VAL A 35 14.502 6.369 -5.387 1.00 1.24 H new ATOM 0 HG11 VAL A 35 16.466 7.063 -4.069 1.00 1.84 H new ATOM 0 HG12 VAL A 35 14.949 7.302 -3.171 1.00 1.84 H new ATOM 0 HG13 VAL A 35 16.003 5.921 -2.786 1.00 1.84 H new ATOM 0 HG21 VAL A 35 16.668 5.244 -5.724 1.00 1.87 H new ATOM 0 HG22 VAL A 35 16.216 4.023 -4.511 1.00 1.87 H new ATOM 0 HG23 VAL A 35 15.298 4.150 -6.030 1.00 1.87 H new ATOM 482 N LEU A 36 12.222 5.806 -2.220 1.00 0.70 N ATOM 483 CA LEU A 36 11.226 6.682 -1.630 1.00 0.66 C ATOM 484 C LEU A 36 11.840 8.002 -1.183 1.00 0.68 C ATOM 485 O LEU A 36 12.902 8.028 -0.558 1.00 0.84 O ATOM 486 CB LEU A 36 10.586 5.992 -0.433 1.00 0.86 C ATOM 487 CG LEU A 36 9.931 4.652 -0.736 1.00 1.90 C ATOM 488 CD1 LEU A 36 9.677 3.902 0.554 1.00 2.62 C ATOM 489 CD2 LEU A 36 8.636 4.858 -1.501 1.00 2.76 C ATOM 0 H LEU A 36 12.508 5.031 -1.622 1.00 0.70 H new ATOM 0 HA LEU A 36 10.473 6.896 -2.388 1.00 0.66 H new ATOM 0 HB2 LEU A 36 11.349 5.842 0.331 1.00 0.86 H new ATOM 0 HB3 LEU A 36 9.835 6.658 -0.008 1.00 0.86 H new ATOM 0 HG LEU A 36 10.602 4.060 -1.358 1.00 1.90 H new ATOM 0 HD11 LEU A 36 9.208 2.944 0.331 1.00 2.62 H new ATOM 0 HD12 LEU A 36 10.623 3.732 1.069 1.00 2.62 H new ATOM 0 HD13 LEU A 36 9.017 4.489 1.192 1.00 2.62 H new ATOM 0 HD21 LEU A 36 8.179 3.891 -1.710 1.00 2.76 H new ATOM 0 HD22 LEU A 36 7.952 5.460 -0.903 1.00 2.76 H new ATOM 0 HD23 LEU A 36 8.846 5.371 -2.440 1.00 2.76 H new ATOM 501 N GLU A 37 11.155 9.090 -1.510 1.00 0.72 N ATOM 502 CA GLU A 37 11.537 10.417 -1.056 1.00 0.84 C ATOM 503 C GLU A 37 11.274 10.532 0.441 1.00 0.76 C ATOM 504 O GLU A 37 11.927 11.294 1.152 1.00 0.88 O ATOM 505 CB GLU A 37 10.737 11.471 -1.823 1.00 1.02 C ATOM 506 CG GLU A 37 11.163 12.901 -1.545 1.00 1.42 C ATOM 507 CD GLU A 37 12.607 13.163 -1.917 1.00 2.06 C ATOM 508 OE1 GLU A 37 12.943 13.089 -3.118 1.00 2.65 O ATOM 509 OE2 GLU A 37 13.410 13.465 -1.010 1.00 2.58 O ATOM 0 H GLU A 37 10.321 9.076 -2.096 1.00 0.72 H new ATOM 0 HA GLU A 37 12.598 10.581 -1.242 1.00 0.84 H new ATOM 0 HB2 GLU A 37 10.832 11.277 -2.891 1.00 1.02 H new ATOM 0 HB3 GLU A 37 9.682 11.363 -1.572 1.00 1.02 H new ATOM 0 HG2 GLU A 37 10.519 13.582 -2.101 1.00 1.42 H new ATOM 0 HG3 GLU A 37 11.019 13.119 -0.487 1.00 1.42 H new ATOM 516 N ASP A 38 10.307 9.752 0.907 1.00 0.61 N ATOM 517 CA ASP A 38 9.982 9.671 2.314 1.00 0.54 C ATOM 518 C ASP A 38 9.976 8.210 2.720 1.00 0.41 C ATOM 519 O ASP A 38 8.954 7.538 2.615 1.00 0.39 O ATOM 520 CB ASP A 38 8.610 10.291 2.604 1.00 0.60 C ATOM 521 CG ASP A 38 8.530 11.757 2.237 1.00 1.20 C ATOM 522 OD1 ASP A 38 9.077 12.593 2.986 1.00 1.20 O ATOM 523 OD2 ASP A 38 7.922 12.084 1.195 1.00 2.29 O ATOM 0 H ASP A 38 9.728 9.158 0.313 1.00 0.61 H new ATOM 0 HA ASP A 38 10.727 10.227 2.884 1.00 0.54 H new ATOM 0 HB2 ASP A 38 7.846 9.743 2.052 1.00 0.60 H new ATOM 0 HB3 ASP A 38 8.383 10.175 3.664 1.00 0.60 H new ATOM 528 N PRO A 39 11.121 7.684 3.173 1.00 0.41 N ATOM 529 CA PRO A 39 11.247 6.269 3.534 1.00 0.40 C ATOM 530 C PRO A 39 10.484 5.924 4.809 1.00 0.32 C ATOM 531 O PRO A 39 10.589 4.822 5.329 1.00 0.35 O ATOM 532 CB PRO A 39 12.752 6.089 3.741 1.00 0.57 C ATOM 533 CG PRO A 39 13.243 7.442 4.122 1.00 0.64 C ATOM 534 CD PRO A 39 12.384 8.420 3.370 1.00 0.57 C ATOM 0 HA PRO A 39 10.828 5.614 2.770 1.00 0.40 H new ATOM 0 HB2 PRO A 39 12.960 5.357 4.522 1.00 0.57 H new ATOM 0 HB3 PRO A 39 13.237 5.732 2.832 1.00 0.57 H new ATOM 0 HG2 PRO A 39 13.162 7.598 5.198 1.00 0.64 H new ATOM 0 HG3 PRO A 39 14.294 7.564 3.860 1.00 0.64 H new ATOM 0 HD2 PRO A 39 12.230 9.338 3.937 1.00 0.57 H new ATOM 0 HD3 PRO A 39 12.836 8.704 2.420 1.00 0.57 H new ATOM 542 N THR A 40 9.701 6.871 5.295 1.00 0.30 N ATOM 543 CA THR A 40 8.941 6.682 6.519 1.00 0.31 C ATOM 544 C THR A 40 7.489 6.332 6.212 1.00 0.28 C ATOM 545 O THR A 40 6.645 6.275 7.108 1.00 0.48 O ATOM 546 CB THR A 40 8.993 7.946 7.391 1.00 0.42 C ATOM 547 OG1 THR A 40 8.737 9.101 6.580 1.00 0.51 O ATOM 548 CG2 THR A 40 10.349 8.083 8.067 1.00 0.49 C ATOM 0 H THR A 40 9.574 7.784 4.858 1.00 0.30 H new ATOM 0 HA THR A 40 9.394 5.854 7.064 1.00 0.31 H new ATOM 0 HB THR A 40 8.230 7.864 8.165 1.00 0.42 H new ATOM 0 HG1 THR A 40 8.769 9.906 7.138 1.00 0.51 H new ATOM 0 HG21 THR A 40 10.361 8.985 8.679 1.00 0.49 H new ATOM 0 HG22 THR A 40 10.530 7.214 8.699 1.00 0.49 H new ATOM 0 HG23 THR A 40 11.129 8.149 7.308 1.00 0.49 H new ATOM 556 N VAL A 41 7.203 6.100 4.942 1.00 0.20 N ATOM 557 CA VAL A 41 5.858 5.756 4.523 1.00 0.17 C ATOM 558 C VAL A 41 5.662 4.246 4.504 1.00 0.14 C ATOM 559 O VAL A 41 6.622 3.480 4.390 1.00 0.15 O ATOM 560 CB VAL A 41 5.526 6.328 3.129 1.00 0.20 C ATOM 561 CG1 VAL A 41 5.670 7.839 3.124 1.00 0.24 C ATOM 562 CG2 VAL A 41 6.397 5.702 2.049 1.00 0.23 C ATOM 0 H VAL A 41 7.885 6.144 4.185 1.00 0.20 H new ATOM 0 HA VAL A 41 5.180 6.202 5.251 1.00 0.17 H new ATOM 0 HB VAL A 41 4.489 6.077 2.905 1.00 0.20 H new ATOM 0 HG11 VAL A 41 5.432 8.224 2.132 1.00 0.24 H new ATOM 0 HG12 VAL A 41 4.987 8.272 3.855 1.00 0.24 H new ATOM 0 HG13 VAL A 41 6.695 8.108 3.381 1.00 0.24 H new ATOM 0 HG21 VAL A 41 6.137 6.127 1.080 1.00 0.23 H new ATOM 0 HG22 VAL A 41 7.446 5.905 2.265 1.00 0.23 H new ATOM 0 HG23 VAL A 41 6.233 4.625 2.028 1.00 0.23 H new ATOM 572 N LEU A 42 4.414 3.829 4.632 1.00 0.14 N ATOM 573 CA LEU A 42 4.063 2.423 4.568 1.00 0.14 C ATOM 574 C LEU A 42 3.840 2.013 3.127 1.00 0.12 C ATOM 575 O LEU A 42 3.071 2.652 2.403 1.00 0.15 O ATOM 576 CB LEU A 42 2.796 2.142 5.386 1.00 0.16 C ATOM 577 CG LEU A 42 2.925 2.363 6.895 1.00 0.17 C ATOM 578 CD1 LEU A 42 1.585 2.147 7.581 1.00 0.20 C ATOM 579 CD2 LEU A 42 3.975 1.436 7.482 1.00 0.22 C ATOM 0 H LEU A 42 3.621 4.452 4.782 1.00 0.14 H new ATOM 0 HA LEU A 42 4.885 1.844 4.988 1.00 0.14 H new ATOM 0 HB2 LEU A 42 1.994 2.777 5.010 1.00 0.16 H new ATOM 0 HB3 LEU A 42 2.493 1.109 5.212 1.00 0.16 H new ATOM 0 HG LEU A 42 3.240 3.393 7.065 1.00 0.17 H new ATOM 0 HD11 LEU A 42 1.695 2.308 8.653 1.00 0.20 H new ATOM 0 HD12 LEU A 42 0.854 2.850 7.181 1.00 0.20 H new ATOM 0 HD13 LEU A 42 1.244 1.128 7.400 1.00 0.20 H new ATOM 0 HD21 LEU A 42 4.053 1.608 8.556 1.00 0.22 H new ATOM 0 HD22 LEU A 42 3.689 0.400 7.300 1.00 0.22 H new ATOM 0 HD23 LEU A 42 4.939 1.634 7.012 1.00 0.22 H new ATOM 591 N ILE A 43 4.523 0.964 2.709 1.00 0.11 N ATOM 592 CA ILE A 43 4.336 0.427 1.379 1.00 0.10 C ATOM 593 C ILE A 43 3.570 -0.883 1.448 1.00 0.11 C ATOM 594 O ILE A 43 3.763 -1.685 2.367 1.00 0.15 O ATOM 595 CB ILE A 43 5.666 0.220 0.618 1.00 0.11 C ATOM 596 CG1 ILE A 43 6.703 -0.484 1.492 1.00 0.11 C ATOM 597 CG2 ILE A 43 6.202 1.556 0.120 1.00 0.13 C ATOM 598 CD1 ILE A 43 7.927 -0.932 0.725 1.00 0.14 C ATOM 0 H ILE A 43 5.213 0.468 3.274 1.00 0.11 H new ATOM 0 HA ILE A 43 3.762 1.166 0.820 1.00 0.10 H new ATOM 0 HB ILE A 43 5.467 -0.421 -0.241 1.00 0.11 H new ATOM 0 HG12 ILE A 43 7.011 0.189 2.292 1.00 0.11 H new ATOM 0 HG13 ILE A 43 6.241 -1.351 1.964 1.00 0.11 H new ATOM 0 HG21 ILE A 43 7.139 1.396 -0.414 1.00 0.13 H new ATOM 0 HG22 ILE A 43 5.475 2.012 -0.552 1.00 0.13 H new ATOM 0 HG23 ILE A 43 6.377 2.217 0.969 1.00 0.13 H new ATOM 0 HD11 ILE A 43 8.622 -1.424 1.405 1.00 0.14 H new ATOM 0 HD12 ILE A 43 7.630 -1.630 -0.058 1.00 0.14 H new ATOM 0 HD13 ILE A 43 8.412 -0.066 0.275 1.00 0.14 H new ATOM 610 N GLY A 44 2.689 -1.089 0.488 1.00 0.13 N ATOM 611 CA GLY A 44 1.826 -2.242 0.522 1.00 0.16 C ATOM 612 C GLY A 44 2.033 -3.181 -0.642 1.00 0.17 C ATOM 613 O GLY A 44 1.665 -2.868 -1.768 1.00 0.31 O ATOM 0 H GLY A 44 2.556 -0.476 -0.316 1.00 0.13 H new ATOM 0 HA2 GLY A 44 1.994 -2.785 1.452 1.00 0.16 H new ATOM 0 HA3 GLY A 44 0.788 -1.909 0.531 1.00 0.16 H new ATOM 617 N ASP A 45 2.617 -4.336 -0.374 1.00 0.18 N ATOM 618 CA ASP A 45 2.756 -5.369 -1.391 1.00 0.20 C ATOM 619 C ASP A 45 1.407 -6.018 -1.613 1.00 0.20 C ATOM 620 O ASP A 45 0.620 -6.135 -0.676 1.00 0.29 O ATOM 621 CB ASP A 45 3.748 -6.451 -0.962 1.00 0.32 C ATOM 622 CG ASP A 45 4.255 -7.281 -2.127 1.00 0.30 C ATOM 623 OD1 ASP A 45 5.283 -6.905 -2.728 1.00 0.42 O ATOM 624 OD2 ASP A 45 3.624 -8.305 -2.458 1.00 0.57 O ATOM 0 H ASP A 45 3.003 -4.584 0.537 1.00 0.18 H new ATOM 0 HA ASP A 45 3.127 -4.901 -2.303 1.00 0.20 H new ATOM 0 HB2 ASP A 45 4.595 -5.983 -0.460 1.00 0.32 H new ATOM 0 HB3 ASP A 45 3.270 -7.108 -0.235 1.00 0.32 H new ATOM 629 N GLY A 46 1.134 -6.423 -2.837 1.00 0.18 N ATOM 630 CA GLY A 46 -0.097 -7.140 -3.113 1.00 0.21 C ATOM 631 C GLY A 46 -1.335 -6.326 -2.786 1.00 0.18 C ATOM 632 O GLY A 46 -2.256 -6.820 -2.137 1.00 0.18 O ATOM 0 H GLY A 46 1.737 -6.272 -3.646 1.00 0.18 H new ATOM 0 HA2 GLY A 46 -0.120 -7.422 -4.166 1.00 0.21 H new ATOM 0 HA3 GLY A 46 -0.112 -8.064 -2.535 1.00 0.21 H new ATOM 636 N CYS A 47 -1.359 -5.082 -3.226 1.00 0.17 N ATOM 637 CA CYS A 47 -2.406 -4.164 -2.824 1.00 0.15 C ATOM 638 C CYS A 47 -3.359 -3.872 -3.965 1.00 0.19 C ATOM 639 O CYS A 47 -2.992 -3.236 -4.954 1.00 0.25 O ATOM 640 CB CYS A 47 -1.797 -2.865 -2.328 1.00 0.15 C ATOM 641 SG CYS A 47 -2.684 -2.116 -0.929 1.00 0.12 S ATOM 0 H CYS A 47 -0.666 -4.685 -3.861 1.00 0.17 H new ATOM 0 HA CYS A 47 -2.970 -4.638 -2.021 1.00 0.15 H new ATOM 0 HB2 CYS A 47 -0.764 -3.050 -2.032 1.00 0.15 H new ATOM 0 HB3 CYS A 47 -1.770 -2.151 -3.151 1.00 0.15 H new ATOM 646 N ASP A 48 -4.578 -4.351 -3.826 1.00 0.19 N ATOM 647 CA ASP A 48 -5.620 -4.082 -4.803 1.00 0.24 C ATOM 648 C ASP A 48 -6.560 -2.999 -4.308 1.00 0.21 C ATOM 649 O ASP A 48 -6.970 -2.993 -3.145 1.00 0.19 O ATOM 650 CB ASP A 48 -6.389 -5.354 -5.153 1.00 0.30 C ATOM 651 CG ASP A 48 -7.682 -5.099 -5.906 1.00 1.50 C ATOM 652 OD1 ASP A 48 -7.645 -5.026 -7.153 1.00 2.21 O ATOM 653 OD2 ASP A 48 -8.746 -4.999 -5.267 1.00 2.02 O ATOM 0 H ASP A 48 -4.875 -4.932 -3.042 1.00 0.19 H new ATOM 0 HA ASP A 48 -5.139 -3.722 -5.713 1.00 0.24 H new ATOM 0 HB2 ASP A 48 -5.750 -6.000 -5.755 1.00 0.30 H new ATOM 0 HB3 ASP A 48 -6.615 -5.896 -4.234 1.00 0.30 H new ATOM 658 N PRO A 49 -6.888 -2.062 -5.199 1.00 0.26 N ATOM 659 CA PRO A 49 -7.778 -0.932 -4.912 1.00 0.28 C ATOM 660 C PRO A 49 -9.126 -1.385 -4.365 1.00 0.31 C ATOM 661 O PRO A 49 -9.831 -2.168 -5.005 1.00 0.37 O ATOM 662 CB PRO A 49 -7.969 -0.268 -6.277 1.00 0.35 C ATOM 663 CG PRO A 49 -6.805 -0.702 -7.099 1.00 0.44 C ATOM 664 CD PRO A 49 -6.406 -2.056 -6.585 1.00 0.34 C ATOM 0 HA PRO A 49 -7.358 -0.272 -4.153 1.00 0.28 H new ATOM 0 HB2 PRO A 49 -8.909 -0.576 -6.735 1.00 0.35 H new ATOM 0 HB3 PRO A 49 -8.000 0.818 -6.184 1.00 0.35 H new ATOM 0 HG2 PRO A 49 -7.071 -0.750 -8.155 1.00 0.44 H new ATOM 0 HG3 PRO A 49 -5.981 0.006 -7.010 1.00 0.44 H new ATOM 0 HD2 PRO A 49 -6.861 -2.856 -7.170 1.00 0.34 H new ATOM 0 HD3 PRO A 49 -5.327 -2.200 -6.634 1.00 0.34 H new ATOM 672 N ILE A 50 -9.492 -0.892 -3.188 1.00 0.30 N ATOM 673 CA ILE A 50 -10.760 -1.269 -2.590 1.00 0.36 C ATOM 674 C ILE A 50 -11.877 -0.466 -3.229 1.00 0.43 C ATOM 675 O ILE A 50 -12.244 0.612 -2.763 1.00 0.46 O ATOM 676 CB ILE A 50 -10.788 -1.061 -1.061 1.00 0.36 C ATOM 677 CG1 ILE A 50 -9.613 -1.775 -0.402 1.00 0.29 C ATOM 678 CG2 ILE A 50 -12.093 -1.584 -0.483 1.00 0.44 C ATOM 679 CD1 ILE A 50 -9.588 -1.634 1.103 1.00 0.31 C ATOM 0 H ILE A 50 -8.935 -0.239 -2.637 1.00 0.30 H new ATOM 0 HA ILE A 50 -10.897 -2.335 -2.772 1.00 0.36 H new ATOM 0 HB ILE A 50 -10.709 0.007 -0.860 1.00 0.36 H new ATOM 0 HG12 ILE A 50 -9.651 -2.834 -0.659 1.00 0.29 H new ATOM 0 HG13 ILE A 50 -8.683 -1.381 -0.811 1.00 0.29 H new ATOM 0 HG21 ILE A 50 -12.100 -1.431 0.596 1.00 0.44 H new ATOM 0 HG22 ILE A 50 -12.930 -1.048 -0.931 1.00 0.44 H new ATOM 0 HG23 ILE A 50 -12.186 -2.648 -0.699 1.00 0.44 H new ATOM 0 HD11 ILE A 50 -8.726 -2.167 1.504 1.00 0.31 H new ATOM 0 HD12 ILE A 50 -9.519 -0.579 1.369 1.00 0.31 H new ATOM 0 HD13 ILE A 50 -10.502 -2.054 1.523 1.00 0.31 H new ATOM 691 N THR A 51 -12.401 -1.003 -4.309 1.00 0.54 N ATOM 692 CA THR A 51 -13.467 -0.359 -5.042 1.00 0.64 C ATOM 693 C THR A 51 -14.765 -1.137 -4.844 1.00 0.79 C ATOM 694 O THR A 51 -15.746 -0.964 -5.565 1.00 0.88 O ATOM 695 CB THR A 51 -13.102 -0.234 -6.542 1.00 0.66 C ATOM 696 OG1 THR A 51 -14.118 0.481 -7.256 1.00 0.78 O ATOM 697 CG2 THR A 51 -12.883 -1.600 -7.175 1.00 0.70 C ATOM 0 H THR A 51 -12.101 -1.895 -4.702 1.00 0.54 H new ATOM 0 HA THR A 51 -13.609 0.652 -4.659 1.00 0.64 H new ATOM 0 HB THR A 51 -12.168 0.325 -6.605 1.00 0.66 H new ATOM 0 HG1 THR A 51 -14.998 0.247 -6.895 1.00 0.78 H new ATOM 0 HG21 THR A 51 -12.629 -1.477 -8.228 1.00 0.70 H new ATOM 0 HG22 THR A 51 -12.069 -2.112 -6.662 1.00 0.70 H new ATOM 0 HG23 THR A 51 -13.795 -2.191 -7.089 1.00 0.70 H new ATOM 705 N VAL A 52 -14.750 -1.989 -3.834 1.00 0.88 N ATOM 706 CA VAL A 52 -15.896 -2.788 -3.470 1.00 1.10 C ATOM 707 C VAL A 52 -16.132 -2.679 -1.966 1.00 1.38 C ATOM 708 O VAL A 52 -15.184 -2.549 -1.189 1.00 1.44 O ATOM 709 CB VAL A 52 -15.681 -4.266 -3.874 1.00 1.13 C ATOM 710 CG1 VAL A 52 -14.425 -4.836 -3.227 1.00 1.17 C ATOM 711 CG2 VAL A 52 -16.893 -5.102 -3.514 1.00 1.44 C ATOM 0 H VAL A 52 -13.934 -2.143 -3.242 1.00 0.88 H new ATOM 0 HA VAL A 52 -16.772 -2.416 -4.001 1.00 1.10 H new ATOM 0 HB VAL A 52 -15.547 -4.301 -4.955 1.00 1.13 H new ATOM 0 HG11 VAL A 52 -14.300 -5.876 -3.529 1.00 1.17 H new ATOM 0 HG12 VAL A 52 -13.557 -4.259 -3.546 1.00 1.17 H new ATOM 0 HG13 VAL A 52 -14.518 -4.782 -2.142 1.00 1.17 H new ATOM 0 HG21 VAL A 52 -16.721 -6.138 -3.807 1.00 1.44 H new ATOM 0 HG22 VAL A 52 -17.063 -5.052 -2.438 1.00 1.44 H new ATOM 0 HG23 VAL A 52 -17.768 -4.718 -4.038 1.00 1.44 H new ATOM 721 N ALA A 53 -17.392 -2.683 -1.565 1.00 1.71 N ATOM 722 CA ALA A 53 -17.742 -2.615 -0.157 1.00 2.11 C ATOM 723 C ALA A 53 -18.255 -3.965 0.320 1.00 2.05 C ATOM 724 O ALA A 53 -17.713 -4.543 1.266 1.00 2.54 O ATOM 725 CB ALA A 53 -18.782 -1.530 0.076 1.00 2.94 C ATOM 0 H ALA A 53 -18.191 -2.733 -2.197 1.00 1.71 H new ATOM 0 HA ALA A 53 -16.851 -2.362 0.417 1.00 2.11 H new ATOM 0 HB1 ALA A 53 -19.035 -1.490 1.135 1.00 2.94 H new ATOM 0 HB2 ALA A 53 -18.379 -0.567 -0.237 1.00 2.94 H new ATOM 0 HB3 ALA A 53 -19.678 -1.754 -0.503 1.00 2.94 H new ATOM 731 N GLY A 54 -19.293 -4.461 -0.349 1.00 2.23 N ATOM 732 CA GLY A 54 -19.865 -5.750 -0.011 1.00 2.81 C ATOM 733 C GLY A 54 -20.237 -5.848 1.452 1.00 2.91 C ATOM 734 O GLY A 54 -20.973 -5.007 1.974 1.00 3.50 O ATOM 0 H GLY A 54 -19.751 -3.986 -1.127 1.00 2.23 H new ATOM 0 HA2 GLY A 54 -20.752 -5.923 -0.621 1.00 2.81 H new ATOM 0 HA3 GLY A 54 -19.151 -6.537 -0.256 1.00 2.81 H new ATOM 738 N SER A 55 -19.713 -6.860 2.116 1.00 2.88 N ATOM 739 CA SER A 55 -19.943 -7.040 3.537 1.00 3.27 C ATOM 740 C SER A 55 -18.604 -7.082 4.273 1.00 2.84 C ATOM 741 O SER A 55 -18.244 -6.143 4.981 1.00 3.08 O ATOM 742 CB SER A 55 -20.751 -8.319 3.779 1.00 4.15 C ATOM 743 OG SER A 55 -21.137 -8.446 5.138 1.00 4.90 O ATOM 0 H SER A 55 -19.122 -7.574 1.691 1.00 2.88 H new ATOM 0 HA SER A 55 -20.520 -6.200 3.924 1.00 3.27 H new ATOM 0 HB2 SER A 55 -21.639 -8.313 3.147 1.00 4.15 H new ATOM 0 HB3 SER A 55 -20.158 -9.185 3.487 1.00 4.15 H new ATOM 0 HG SER A 55 -21.652 -9.271 5.256 1.00 4.90 H new ATOM 749 N SER A 56 -17.862 -8.162 4.077 1.00 2.68 N ATOM 750 CA SER A 56 -16.535 -8.305 4.656 1.00 2.71 C ATOM 751 C SER A 56 -15.554 -8.732 3.573 1.00 2.12 C ATOM 752 O SER A 56 -14.517 -9.338 3.845 1.00 2.50 O ATOM 753 CB SER A 56 -16.554 -9.328 5.793 1.00 3.33 C ATOM 754 OG SER A 56 -17.508 -8.978 6.782 1.00 4.06 O ATOM 0 H SER A 56 -18.161 -8.959 3.515 1.00 2.68 H new ATOM 0 HA SER A 56 -16.219 -7.347 5.068 1.00 2.71 H new ATOM 0 HB2 SER A 56 -16.786 -10.315 5.394 1.00 3.33 H new ATOM 0 HB3 SER A 56 -15.564 -9.392 6.245 1.00 3.33 H new ATOM 0 HG SER A 56 -17.500 -9.649 7.496 1.00 4.06 H new ATOM 760 N ASP A 57 -15.909 -8.427 2.336 1.00 1.64 N ATOM 761 CA ASP A 57 -15.122 -8.831 1.179 1.00 1.50 C ATOM 762 C ASP A 57 -14.436 -7.635 0.533 1.00 1.07 C ATOM 763 O ASP A 57 -14.069 -7.676 -0.641 1.00 1.44 O ATOM 764 CB ASP A 57 -16.024 -9.531 0.160 1.00 2.15 C ATOM 765 CG ASP A 57 -17.228 -8.693 -0.225 1.00 2.62 C ATOM 766 OD1 ASP A 57 -18.146 -8.542 0.616 1.00 3.12 O ATOM 767 OD2 ASP A 57 -17.277 -8.203 -1.371 1.00 3.13 O ATOM 0 H ASP A 57 -16.747 -7.894 2.104 1.00 1.64 H new ATOM 0 HA ASP A 57 -14.348 -9.521 1.516 1.00 1.50 H new ATOM 0 HB2 ASP A 57 -15.445 -9.761 -0.734 1.00 2.15 H new ATOM 0 HB3 ASP A 57 -16.364 -10.481 0.573 1.00 2.15 H new ATOM 772 N ALA A 58 -14.248 -6.576 1.307 1.00 0.67 N ATOM 773 CA ALA A 58 -13.602 -5.372 0.801 1.00 0.66 C ATOM 774 C ALA A 58 -12.091 -5.484 0.921 1.00 0.60 C ATOM 775 O ALA A 58 -11.341 -4.781 0.247 1.00 0.83 O ATOM 776 CB ALA A 58 -14.106 -4.143 1.541 1.00 0.99 C ATOM 0 H ALA A 58 -14.532 -6.525 2.285 1.00 0.67 H new ATOM 0 HA ALA A 58 -13.855 -5.266 -0.254 1.00 0.66 H new ATOM 0 HB1 ALA A 58 -13.612 -3.254 1.149 1.00 0.99 H new ATOM 0 HB2 ALA A 58 -15.183 -4.051 1.402 1.00 0.99 H new ATOM 0 HB3 ALA A 58 -13.885 -4.242 2.604 1.00 0.99 H new ATOM 782 N CYS A 59 -11.657 -6.382 1.782 1.00 0.45 N ATOM 783 CA CYS A 59 -10.240 -6.602 2.003 1.00 0.54 C ATOM 784 C CYS A 59 -9.997 -7.995 2.571 1.00 0.55 C ATOM 785 O CYS A 59 -10.728 -8.451 3.450 1.00 0.74 O ATOM 786 CB CYS A 59 -9.684 -5.542 2.950 1.00 0.73 C ATOM 787 SG CYS A 59 -7.896 -5.698 3.252 1.00 0.74 S ATOM 0 H CYS A 59 -12.268 -6.975 2.344 1.00 0.45 H new ATOM 0 HA CYS A 59 -9.724 -6.525 1.046 1.00 0.54 H new ATOM 0 HB2 CYS A 59 -9.889 -4.554 2.537 1.00 0.73 H new ATOM 0 HB3 CYS A 59 -10.211 -5.605 3.902 1.00 0.73 H new ATOM 792 N SER A 60 -8.974 -8.663 2.062 1.00 0.64 N ATOM 793 CA SER A 60 -8.653 -10.014 2.490 1.00 0.86 C ATOM 794 C SER A 60 -7.398 -10.049 3.367 1.00 0.71 C ATOM 795 O SER A 60 -7.204 -10.986 4.146 1.00 1.05 O ATOM 796 CB SER A 60 -8.481 -10.906 1.261 1.00 1.24 C ATOM 797 OG SER A 60 -7.797 -10.214 0.226 1.00 2.14 O ATOM 0 H SER A 60 -8.349 -8.288 1.348 1.00 0.64 H new ATOM 0 HA SER A 60 -9.476 -10.388 3.099 1.00 0.86 H new ATOM 0 HB2 SER A 60 -7.926 -11.804 1.533 1.00 1.24 H new ATOM 0 HB3 SER A 60 -9.458 -11.231 0.903 1.00 1.24 H new ATOM 0 HG SER A 60 -7.696 -10.803 -0.550 1.00 2.14 H new ATOM 803 N ALA A 61 -6.552 -9.028 3.252 1.00 0.38 N ATOM 804 CA ALA A 61 -5.326 -8.977 4.037 1.00 0.32 C ATOM 805 C ALA A 61 -5.326 -7.773 4.983 1.00 0.32 C ATOM 806 O ALA A 61 -5.675 -7.907 6.156 1.00 0.54 O ATOM 807 CB ALA A 61 -4.096 -8.977 3.132 1.00 0.38 C ATOM 0 H ALA A 61 -6.693 -8.233 2.629 1.00 0.38 H new ATOM 0 HA ALA A 61 -5.283 -9.876 4.652 1.00 0.32 H new ATOM 0 HB1 ALA A 61 -3.194 -8.938 3.743 1.00 0.38 H new ATOM 0 HB2 ALA A 61 -4.087 -9.885 2.530 1.00 0.38 H new ATOM 0 HB3 ALA A 61 -4.127 -8.107 2.476 1.00 0.38 H new ATOM 813 N THR A 62 -4.958 -6.599 4.481 1.00 0.22 N ATOM 814 CA THR A 62 -4.908 -5.400 5.315 1.00 0.19 C ATOM 815 C THR A 62 -5.436 -4.175 4.563 1.00 0.18 C ATOM 816 O THR A 62 -5.013 -3.896 3.441 1.00 0.20 O ATOM 817 CB THR A 62 -3.468 -5.120 5.783 1.00 0.22 C ATOM 818 OG1 THR A 62 -2.877 -6.325 6.288 1.00 0.29 O ATOM 819 CG2 THR A 62 -3.449 -4.051 6.865 1.00 0.24 C ATOM 0 H THR A 62 -4.691 -6.451 3.508 1.00 0.22 H new ATOM 0 HA THR A 62 -5.544 -5.584 6.181 1.00 0.19 H new ATOM 0 HB THR A 62 -2.894 -4.761 4.929 1.00 0.22 H new ATOM 0 HG1 THR A 62 -1.961 -6.141 6.583 1.00 0.29 H new ATOM 0 HG21 THR A 62 -2.421 -3.870 7.180 1.00 0.24 H new ATOM 0 HG22 THR A 62 -3.876 -3.128 6.472 1.00 0.24 H new ATOM 0 HG23 THR A 62 -4.036 -4.388 7.719 1.00 0.24 H new ATOM 827 N ALA A 63 -6.351 -3.444 5.190 1.00 0.19 N ATOM 828 CA ALA A 63 -6.971 -2.286 4.558 1.00 0.20 C ATOM 829 C ALA A 63 -6.128 -1.038 4.773 1.00 0.17 C ATOM 830 O ALA A 63 -5.757 -0.709 5.903 1.00 0.19 O ATOM 831 CB ALA A 63 -8.378 -2.072 5.097 1.00 0.25 C ATOM 0 H ALA A 63 -6.680 -3.633 6.137 1.00 0.19 H new ATOM 0 HA ALA A 63 -7.034 -2.478 3.487 1.00 0.20 H new ATOM 0 HB1 ALA A 63 -8.825 -1.203 4.613 1.00 0.25 H new ATOM 0 HB2 ALA A 63 -8.985 -2.954 4.891 1.00 0.25 H new ATOM 0 HB3 ALA A 63 -8.334 -1.905 6.173 1.00 0.25 H new ATOM 837 N VAL A 64 -5.827 -0.345 3.685 1.00 0.14 N ATOM 838 CA VAL A 64 -4.993 0.843 3.740 1.00 0.13 C ATOM 839 C VAL A 64 -5.465 1.906 2.753 1.00 0.14 C ATOM 840 O VAL A 64 -6.370 1.681 1.950 1.00 0.21 O ATOM 841 CB VAL A 64 -3.519 0.514 3.448 1.00 0.15 C ATOM 842 CG1 VAL A 64 -2.846 -0.132 4.654 1.00 0.14 C ATOM 843 CG2 VAL A 64 -3.425 -0.391 2.236 1.00 0.19 C ATOM 0 H VAL A 64 -6.151 -0.588 2.749 1.00 0.14 H new ATOM 0 HA VAL A 64 -5.080 1.231 4.755 1.00 0.13 H new ATOM 0 HB VAL A 64 -2.994 1.446 3.239 1.00 0.15 H new ATOM 0 HG11 VAL A 64 -1.805 -0.352 4.415 1.00 0.14 H new ATOM 0 HG12 VAL A 64 -2.887 0.551 5.503 1.00 0.14 H new ATOM 0 HG13 VAL A 64 -3.364 -1.057 4.907 1.00 0.14 H new ATOM 0 HG21 VAL A 64 -2.379 -0.621 2.034 1.00 0.19 H new ATOM 0 HG22 VAL A 64 -3.969 -1.316 2.429 1.00 0.19 H new ATOM 0 HG23 VAL A 64 -3.860 0.112 1.372 1.00 0.19 H new ATOM 853 N CYS A 65 -4.840 3.062 2.827 1.00 0.17 N ATOM 854 CA CYS A 65 -5.196 4.194 1.996 1.00 0.17 C ATOM 855 C CYS A 65 -3.924 4.915 1.561 1.00 0.13 C ATOM 856 O CYS A 65 -3.265 5.555 2.380 1.00 0.14 O ATOM 857 CB CYS A 65 -6.097 5.127 2.804 1.00 0.23 C ATOM 858 SG CYS A 65 -6.829 6.505 1.865 1.00 0.39 S ATOM 0 H CYS A 65 -4.068 3.244 3.468 1.00 0.17 H new ATOM 0 HA CYS A 65 -5.730 3.865 1.105 1.00 0.17 H new ATOM 0 HB2 CYS A 65 -6.903 4.538 3.242 1.00 0.23 H new ATOM 0 HB3 CYS A 65 -5.518 5.539 3.631 1.00 0.23 H new ATOM 863 N CYS A 66 -3.560 4.782 0.291 1.00 0.12 N ATOM 864 CA CYS A 66 -2.304 5.337 -0.204 1.00 0.13 C ATOM 865 C CYS A 66 -2.473 6.729 -0.795 1.00 0.16 C ATOM 866 O CYS A 66 -3.438 7.016 -1.510 1.00 0.23 O ATOM 867 CB CYS A 66 -1.669 4.402 -1.234 1.00 0.19 C ATOM 868 SG CYS A 66 -0.482 3.217 -0.527 1.00 0.65 S ATOM 0 H CYS A 66 -4.114 4.296 -0.414 1.00 0.12 H new ATOM 0 HA CYS A 66 -1.642 5.429 0.657 1.00 0.13 H new ATOM 0 HB2 CYS A 66 -2.459 3.849 -1.743 1.00 0.19 H new ATOM 0 HB3 CYS A 66 -1.161 5.002 -1.990 1.00 0.19 H new ATOM 873 N SER A 67 -1.516 7.589 -0.472 1.00 0.24 N ATOM 874 CA SER A 67 -1.487 8.954 -0.967 1.00 0.29 C ATOM 875 C SER A 67 -0.803 9.019 -2.330 1.00 0.32 C ATOM 876 O SER A 67 -1.030 9.946 -3.110 1.00 0.41 O ATOM 877 CB SER A 67 -0.764 9.846 0.048 1.00 0.35 C ATOM 878 OG SER A 67 -0.628 11.178 -0.417 1.00 1.15 O ATOM 0 H SER A 67 -0.736 7.356 0.143 1.00 0.24 H new ATOM 0 HA SER A 67 -2.509 9.312 -1.092 1.00 0.29 H new ATOM 0 HB2 SER A 67 -1.315 9.845 0.989 1.00 0.35 H new ATOM 0 HB3 SER A 67 0.223 9.432 0.256 1.00 0.35 H new ATOM 0 HG SER A 67 -0.164 11.715 0.259 1.00 1.15 H new ATOM 884 N ASP A 68 0.021 8.025 -2.617 1.00 0.30 N ATOM 885 CA ASP A 68 0.720 7.962 -3.894 1.00 0.37 C ATOM 886 C ASP A 68 0.059 6.958 -4.822 1.00 0.44 C ATOM 887 O ASP A 68 -0.310 5.858 -4.408 1.00 0.57 O ATOM 888 CB ASP A 68 2.197 7.598 -3.706 1.00 0.43 C ATOM 889 CG ASP A 68 3.081 8.811 -3.505 1.00 1.03 C ATOM 890 OD1 ASP A 68 3.546 9.385 -4.513 1.00 1.60 O ATOM 891 OD2 ASP A 68 3.331 9.194 -2.343 1.00 1.52 O ATOM 0 H ASP A 68 0.224 7.250 -1.985 1.00 0.30 H new ATOM 0 HA ASP A 68 0.664 8.953 -4.344 1.00 0.37 H new ATOM 0 HB2 ASP A 68 2.296 6.936 -2.846 1.00 0.43 H new ATOM 0 HB3 ASP A 68 2.543 7.043 -4.578 1.00 0.43 H new ATOM 896 N ASN A 69 -0.085 7.345 -6.079 1.00 0.53 N ATOM 897 CA ASN A 69 -0.710 6.492 -7.081 1.00 0.63 C ATOM 898 C ASN A 69 0.356 5.820 -7.931 1.00 0.59 C ATOM 899 O ASN A 69 0.055 4.989 -8.790 1.00 0.64 O ATOM 900 CB ASN A 69 -1.646 7.315 -7.971 1.00 0.84 C ATOM 901 CG ASN A 69 -2.761 7.980 -7.189 1.00 1.67 C ATOM 902 OD1 ASN A 69 -2.602 9.089 -6.679 1.00 2.35 O ATOM 903 ND2 ASN A 69 -3.902 7.318 -7.100 1.00 2.49 N ATOM 0 H ASN A 69 0.224 8.250 -6.433 1.00 0.53 H new ATOM 0 HA ASN A 69 -1.294 5.726 -6.572 1.00 0.63 H new ATOM 0 HB2 ASN A 69 -1.068 8.078 -8.492 1.00 0.84 H new ATOM 0 HB3 ASN A 69 -2.079 6.667 -8.733 1.00 0.84 H new ATOM 0 HD21 ASN A 69 -4.689 7.725 -6.595 1.00 2.49 H new ATOM 0 HD22 ASN A 69 -3.995 6.401 -7.536 1.00 2.49 H new ATOM 910 N ASN A 70 1.606 6.190 -7.680 1.00 0.59 N ATOM 911 CA ASN A 70 2.742 5.637 -8.407 1.00 0.64 C ATOM 912 C ASN A 70 3.047 4.221 -7.925 1.00 0.55 C ATOM 913 O ASN A 70 3.824 4.020 -6.991 1.00 0.86 O ATOM 914 CB ASN A 70 3.971 6.534 -8.225 1.00 0.83 C ATOM 915 CG ASN A 70 5.176 6.059 -9.018 1.00 1.50 C ATOM 916 OD1 ASN A 70 6.317 6.216 -8.582 1.00 2.24 O ATOM 917 ND2 ASN A 70 4.938 5.498 -10.194 1.00 2.27 N ATOM 0 H ASN A 70 1.860 6.878 -6.971 1.00 0.59 H new ATOM 0 HA ASN A 70 2.489 5.595 -9.466 1.00 0.64 H new ATOM 0 HB2 ASN A 70 3.720 7.550 -8.529 1.00 0.83 H new ATOM 0 HB3 ASN A 70 4.232 6.573 -7.167 1.00 0.83 H new ATOM 0 HD21 ASN A 70 5.714 5.178 -10.773 1.00 2.27 H new ATOM 0 HD22 ASN A 70 3.978 5.386 -10.520 1.00 2.27 H new ATOM 924 N VAL A 71 2.429 3.242 -8.566 1.00 0.41 N ATOM 925 CA VAL A 71 2.577 1.856 -8.176 1.00 0.38 C ATOM 926 C VAL A 71 3.462 1.096 -9.158 1.00 0.33 C ATOM 927 O VAL A 71 3.607 1.489 -10.317 1.00 0.38 O ATOM 928 CB VAL A 71 1.202 1.171 -8.095 1.00 0.52 C ATOM 929 CG1 VAL A 71 0.350 1.812 -7.011 1.00 1.10 C ATOM 930 CG2 VAL A 71 0.487 1.222 -9.439 1.00 1.03 C ATOM 0 H VAL A 71 1.814 3.388 -9.367 1.00 0.41 H new ATOM 0 HA VAL A 71 3.051 1.840 -7.195 1.00 0.38 H new ATOM 0 HB VAL A 71 1.360 0.124 -7.837 1.00 0.52 H new ATOM 0 HG11 VAL A 71 -0.619 1.315 -6.968 1.00 1.10 H new ATOM 0 HG12 VAL A 71 0.851 1.713 -6.048 1.00 1.10 H new ATOM 0 HG13 VAL A 71 0.206 2.868 -7.238 1.00 1.10 H new ATOM 0 HG21 VAL A 71 -0.482 0.731 -9.354 1.00 1.03 H new ATOM 0 HG22 VAL A 71 0.343 2.261 -9.735 1.00 1.03 H new ATOM 0 HG23 VAL A 71 1.088 0.711 -10.191 1.00 1.03 H new ATOM 940 N SER A 72 4.054 0.008 -8.682 1.00 0.32 N ATOM 941 CA SER A 72 4.916 -0.832 -9.505 1.00 0.37 C ATOM 942 C SER A 72 4.089 -1.858 -10.271 1.00 0.42 C ATOM 943 O SER A 72 4.610 -2.613 -11.089 1.00 0.55 O ATOM 944 CB SER A 72 5.928 -1.550 -8.617 1.00 0.45 C ATOM 945 OG SER A 72 5.262 -2.376 -7.679 1.00 1.41 O ATOM 0 H SER A 72 3.951 -0.316 -7.720 1.00 0.32 H new ATOM 0 HA SER A 72 5.440 -0.200 -10.222 1.00 0.37 H new ATOM 0 HB2 SER A 72 6.597 -2.152 -9.231 1.00 0.45 H new ATOM 0 HB3 SER A 72 6.546 -0.820 -8.094 1.00 0.45 H new ATOM 0 HG SER A 72 5.915 -2.950 -7.227 1.00 1.41 H new ATOM 951 N GLY A 73 2.795 -1.872 -9.993 1.00 0.39 N ATOM 952 CA GLY A 73 1.904 -2.816 -10.631 1.00 0.48 C ATOM 953 C GLY A 73 1.080 -3.592 -9.636 1.00 0.41 C ATOM 954 O GLY A 73 -0.069 -3.934 -9.914 1.00 0.48 O ATOM 0 H GLY A 73 2.343 -1.241 -9.331 1.00 0.39 H new ATOM 0 HA2 GLY A 73 1.240 -2.282 -11.311 1.00 0.48 H new ATOM 0 HA3 GLY A 73 2.487 -3.510 -11.235 1.00 0.48 H new ATOM 958 N VAL A 74 1.641 -3.853 -8.461 1.00 0.31 N ATOM 959 CA VAL A 74 0.902 -4.580 -7.442 1.00 0.28 C ATOM 960 C VAL A 74 1.072 -3.961 -6.059 1.00 0.22 C ATOM 961 O VAL A 74 0.361 -4.325 -5.128 1.00 0.34 O ATOM 962 CB VAL A 74 1.309 -6.068 -7.380 1.00 0.37 C ATOM 963 CG1 VAL A 74 1.262 -6.701 -8.765 1.00 0.49 C ATOM 964 CG2 VAL A 74 2.680 -6.234 -6.749 1.00 0.38 C ATOM 0 H VAL A 74 2.587 -3.578 -8.195 1.00 0.31 H new ATOM 0 HA VAL A 74 -0.146 -4.512 -7.734 1.00 0.28 H new ATOM 0 HB VAL A 74 0.589 -6.588 -6.748 1.00 0.37 H new ATOM 0 HG11 VAL A 74 1.553 -7.749 -8.696 1.00 0.49 H new ATOM 0 HG12 VAL A 74 0.250 -6.631 -9.163 1.00 0.49 H new ATOM 0 HG13 VAL A 74 1.950 -6.177 -9.428 1.00 0.49 H new ATOM 0 HG21 VAL A 74 2.941 -7.292 -6.718 1.00 0.38 H new ATOM 0 HG22 VAL A 74 3.420 -5.695 -7.340 1.00 0.38 H new ATOM 0 HG23 VAL A 74 2.665 -5.835 -5.735 1.00 0.38 H new ATOM 974 N ILE A 75 2.013 -3.037 -5.911 1.00 0.18 N ATOM 975 CA ILE A 75 2.249 -2.434 -4.606 1.00 0.17 C ATOM 976 C ILE A 75 1.447 -1.161 -4.417 1.00 0.16 C ATOM 977 O ILE A 75 0.683 -0.746 -5.286 1.00 0.20 O ATOM 978 CB ILE A 75 3.725 -2.083 -4.362 1.00 0.19 C ATOM 979 CG1 ILE A 75 4.175 -0.978 -5.309 1.00 0.20 C ATOM 980 CG2 ILE A 75 4.594 -3.304 -4.525 1.00 0.24 C ATOM 981 CD1 ILE A 75 5.458 -0.300 -4.886 1.00 0.30 C ATOM 0 H ILE A 75 2.614 -2.695 -6.661 1.00 0.18 H new ATOM 0 HA ILE A 75 1.935 -3.196 -3.893 1.00 0.17 H new ATOM 0 HB ILE A 75 3.827 -1.723 -3.338 1.00 0.19 H new ATOM 0 HG12 ILE A 75 4.308 -1.398 -6.306 1.00 0.20 H new ATOM 0 HG13 ILE A 75 3.386 -0.230 -5.381 1.00 0.20 H new ATOM 0 HG21 ILE A 75 5.636 -3.036 -4.348 1.00 0.24 H new ATOM 0 HG22 ILE A 75 4.289 -4.066 -3.808 1.00 0.24 H new ATOM 0 HG23 ILE A 75 4.487 -3.695 -5.537 1.00 0.24 H new ATOM 0 HD11 ILE A 75 5.715 0.475 -5.608 1.00 0.30 H new ATOM 0 HD12 ILE A 75 5.324 0.151 -3.903 1.00 0.30 H new ATOM 0 HD13 ILE A 75 6.261 -1.036 -4.842 1.00 0.30 H new ATOM 993 N ALA A 76 1.658 -0.560 -3.263 1.00 0.15 N ATOM 994 CA ALA A 76 1.068 0.719 -2.915 1.00 0.16 C ATOM 995 C ALA A 76 2.075 1.536 -2.108 1.00 0.14 C ATOM 996 O ALA A 76 2.806 0.981 -1.288 1.00 0.15 O ATOM 997 CB ALA A 76 -0.210 0.498 -2.124 1.00 0.18 C ATOM 0 H ALA A 76 2.251 -0.950 -2.531 1.00 0.15 H new ATOM 0 HA ALA A 76 0.816 1.270 -3.821 1.00 0.16 H new ATOM 0 HB1 ALA A 76 -0.649 1.462 -1.865 1.00 0.18 H new ATOM 0 HB2 ALA A 76 -0.917 -0.073 -2.727 1.00 0.18 H new ATOM 0 HB3 ALA A 76 0.017 -0.054 -1.212 1.00 0.18 H new ATOM 1003 N ILE A 77 2.136 2.841 -2.348 1.00 0.15 N ATOM 1004 CA ILE A 77 3.109 3.694 -1.673 1.00 0.16 C ATOM 1005 C ILE A 77 2.423 4.807 -0.883 1.00 0.16 C ATOM 1006 O ILE A 77 1.571 5.523 -1.410 1.00 0.21 O ATOM 1007 CB ILE A 77 4.096 4.316 -2.684 1.00 0.19 C ATOM 1008 CG1 ILE A 77 4.862 3.210 -3.416 1.00 0.21 C ATOM 1009 CG2 ILE A 77 5.060 5.265 -1.983 1.00 0.24 C ATOM 1010 CD1 ILE A 77 5.834 3.726 -4.450 1.00 0.26 C ATOM 0 H ILE A 77 1.526 3.331 -3.002 1.00 0.15 H new ATOM 0 HA ILE A 77 3.661 3.061 -0.978 1.00 0.16 H new ATOM 0 HB ILE A 77 3.529 4.892 -3.415 1.00 0.19 H new ATOM 0 HG12 ILE A 77 5.406 2.612 -2.685 1.00 0.21 H new ATOM 0 HG13 ILE A 77 4.147 2.546 -3.902 1.00 0.21 H new ATOM 0 HG21 ILE A 77 5.746 5.692 -2.714 1.00 0.24 H new ATOM 0 HG22 ILE A 77 4.498 6.066 -1.503 1.00 0.24 H new ATOM 0 HG23 ILE A 77 5.627 4.717 -1.230 1.00 0.24 H new ATOM 0 HD11 ILE A 77 6.339 2.885 -4.926 1.00 0.26 H new ATOM 0 HD12 ILE A 77 5.294 4.299 -5.203 1.00 0.26 H new ATOM 0 HD13 ILE A 77 6.572 4.367 -3.968 1.00 0.26 H new ATOM 1022 N GLY A 78 2.798 4.941 0.385 1.00 0.16 N ATOM 1023 CA GLY A 78 2.242 5.991 1.217 1.00 0.17 C ATOM 1024 C GLY A 78 0.870 5.630 1.734 1.00 0.15 C ATOM 1025 O GLY A 78 -0.071 6.411 1.618 1.00 0.17 O ATOM 0 H GLY A 78 3.478 4.340 0.851 1.00 0.16 H new ATOM 0 HA2 GLY A 78 2.909 6.180 2.058 1.00 0.17 H new ATOM 0 HA3 GLY A 78 2.182 6.916 0.643 1.00 0.17 H new ATOM 1029 N CYS A 79 0.762 4.442 2.304 1.00 0.13 N ATOM 1030 CA CYS A 79 -0.513 3.925 2.759 1.00 0.13 C ATOM 1031 C CYS A 79 -0.708 4.097 4.255 1.00 0.13 C ATOM 1032 O CYS A 79 0.189 3.824 5.050 1.00 0.18 O ATOM 1033 CB CYS A 79 -0.632 2.452 2.387 1.00 0.15 C ATOM 1034 SG CYS A 79 -1.542 2.160 0.839 1.00 0.65 S ATOM 0 H CYS A 79 1.550 3.814 2.463 1.00 0.13 H new ATOM 0 HA CYS A 79 -1.294 4.501 2.263 1.00 0.13 H new ATOM 0 HB2 CYS A 79 0.368 2.027 2.296 1.00 0.15 H new ATOM 0 HB3 CYS A 79 -1.131 1.921 3.197 1.00 0.15 H new ATOM 1039 N LEU A 80 -1.882 4.579 4.625 1.00 0.14 N ATOM 1040 CA LEU A 80 -2.288 4.621 6.016 1.00 0.15 C ATOM 1041 C LEU A 80 -3.321 3.536 6.280 1.00 0.15 C ATOM 1042 O LEU A 80 -4.251 3.363 5.497 1.00 0.15 O ATOM 1043 CB LEU A 80 -2.873 5.983 6.372 1.00 0.19 C ATOM 1044 CG LEU A 80 -1.923 7.168 6.194 1.00 0.23 C ATOM 1045 CD1 LEU A 80 -2.629 8.471 6.535 1.00 0.29 C ATOM 1046 CD2 LEU A 80 -0.687 6.991 7.062 1.00 0.26 C ATOM 0 H LEU A 80 -2.575 4.949 3.974 1.00 0.14 H new ATOM 0 HA LEU A 80 -1.408 4.451 6.637 1.00 0.15 H new ATOM 0 HB2 LEU A 80 -3.758 6.152 5.758 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -3.205 5.957 7.410 1.00 0.19 H new ATOM 0 HG LEU A 80 -1.611 7.207 5.150 1.00 0.23 H new ATOM 0 HD11 LEU A 80 -1.939 9.304 6.403 1.00 0.29 H new ATOM 0 HD12 LEU A 80 -3.487 8.603 5.876 1.00 0.29 H new ATOM 0 HD13 LEU A 80 -2.968 8.441 7.571 1.00 0.29 H new ATOM 0 HD21 LEU A 80 -0.021 7.842 6.924 1.00 0.26 H new ATOM 0 HD22 LEU A 80 -0.984 6.928 8.109 1.00 0.26 H new ATOM 0 HD23 LEU A 80 -0.170 6.075 6.776 1.00 0.26 H new ATOM 1058 N PRO A 81 -3.160 2.783 7.372 1.00 0.15 N ATOM 1059 CA PRO A 81 -4.078 1.698 7.731 1.00 0.17 C ATOM 1060 C PRO A 81 -5.484 2.212 8.025 1.00 0.21 C ATOM 1061 O PRO A 81 -5.669 3.109 8.852 1.00 0.25 O ATOM 1062 CB PRO A 81 -3.455 1.088 8.992 1.00 0.21 C ATOM 1063 CG PRO A 81 -2.051 1.589 9.026 1.00 0.20 C ATOM 1064 CD PRO A 81 -2.071 2.927 8.347 1.00 0.17 C ATOM 0 HA PRO A 81 -4.195 0.981 6.918 1.00 0.17 H new ATOM 0 HB2 PRO A 81 -4.001 1.391 9.885 1.00 0.21 H new ATOM 0 HB3 PRO A 81 -3.482 -0.001 8.956 1.00 0.21 H new ATOM 0 HG2 PRO A 81 -1.693 1.678 10.052 1.00 0.20 H new ATOM 0 HG3 PRO A 81 -1.379 0.901 8.513 1.00 0.20 H new ATOM 0 HD2 PRO A 81 -2.264 3.735 9.052 1.00 0.17 H new ATOM 0 HD3 PRO A 81 -1.120 3.148 7.862 1.00 0.17 H new ATOM 1072 N VAL A 82 -6.467 1.650 7.337 1.00 0.23 N ATOM 1073 CA VAL A 82 -7.845 2.056 7.484 1.00 0.30 C ATOM 1074 C VAL A 82 -8.713 0.875 7.882 1.00 0.39 C ATOM 1075 O VAL A 82 -8.309 -0.278 7.754 1.00 0.42 O ATOM 1076 CB VAL A 82 -8.404 2.676 6.190 1.00 0.25 C ATOM 1077 CG1 VAL A 82 -7.820 4.059 5.956 1.00 0.33 C ATOM 1078 CG2 VAL A 82 -8.140 1.784 4.992 1.00 0.20 C ATOM 0 H VAL A 82 -6.325 0.899 6.662 1.00 0.23 H new ATOM 0 HA VAL A 82 -7.868 2.813 8.268 1.00 0.30 H new ATOM 0 HB VAL A 82 -9.483 2.770 6.311 1.00 0.25 H new ATOM 0 HG11 VAL A 82 -8.230 4.476 5.036 1.00 0.33 H new ATOM 0 HG12 VAL A 82 -8.075 4.708 6.794 1.00 0.33 H new ATOM 0 HG13 VAL A 82 -6.736 3.986 5.870 1.00 0.33 H new ATOM 0 HG21 VAL A 82 -8.547 2.250 4.095 1.00 0.20 H new ATOM 0 HG22 VAL A 82 -7.066 1.644 4.873 1.00 0.20 H new ATOM 0 HG23 VAL A 82 -8.617 0.816 5.147 1.00 0.20 H new ATOM 1088 N THR A 83 -9.882 1.171 8.406 1.00 0.53 N ATOM 1089 CA THR A 83 -10.843 0.143 8.754 1.00 0.70 C ATOM 1090 C THR A 83 -12.261 0.646 8.522 1.00 1.46 C ATOM 1091 O THR A 83 -12.613 1.744 8.956 1.00 2.07 O ATOM 1092 CB THR A 83 -10.693 -0.296 10.221 1.00 1.31 C ATOM 1093 OG1 THR A 83 -9.323 -0.628 10.489 1.00 1.98 O ATOM 1094 CG2 THR A 83 -11.578 -1.499 10.526 1.00 1.65 C ATOM 0 H THR A 83 -10.193 2.122 8.602 1.00 0.53 H new ATOM 0 HA THR A 83 -10.648 -0.717 8.114 1.00 0.70 H new ATOM 0 HB THR A 83 -11.004 0.531 10.859 1.00 1.31 H new ATOM 0 HG1 THR A 83 -9.231 -0.906 11.424 1.00 1.98 H new ATOM 0 HG21 THR A 83 -11.452 -1.788 11.569 1.00 1.65 H new ATOM 0 HG22 THR A 83 -12.621 -1.239 10.345 1.00 1.65 H new ATOM 0 HG23 THR A 83 -11.295 -2.332 9.882 1.00 1.65 H new ATOM 1102 N LEU A 84 -13.050 -0.167 7.834 1.00 1.87 N ATOM 1103 CA LEU A 84 -14.440 0.143 7.529 1.00 2.80 C ATOM 1104 C LEU A 84 -14.565 1.441 6.735 1.00 3.45 C ATOM 1105 O LEU A 84 -14.341 1.407 5.508 1.00 3.87 O ATOM 1106 CB LEU A 84 -15.253 0.219 8.818 1.00 3.22 C ATOM 1107 CG LEU A 84 -15.375 -1.103 9.564 1.00 3.13 C ATOM 1108 CD1 LEU A 84 -16.065 -0.900 10.902 1.00 3.79 C ATOM 1109 CD2 LEU A 84 -16.124 -2.124 8.726 1.00 3.37 C ATOM 1110 OXT LEU A 84 -14.893 2.487 7.336 1.00 3.91 O ATOM 0 H LEU A 84 -12.741 -1.068 7.469 1.00 1.87 H new ATOM 0 HA LEU A 84 -14.836 -0.659 6.906 1.00 2.80 H new ATOM 0 HB2 LEU A 84 -14.795 0.954 9.479 1.00 3.22 H new ATOM 0 HB3 LEU A 84 -16.253 0.582 8.582 1.00 3.22 H new ATOM 0 HG LEU A 84 -14.371 -1.484 9.750 1.00 3.13 H new ATOM 0 HD11 LEU A 84 -16.143 -1.856 11.420 1.00 3.79 H new ATOM 0 HD12 LEU A 84 -15.485 -0.205 11.509 1.00 3.79 H new ATOM 0 HD13 LEU A 84 -17.063 -0.494 10.739 1.00 3.79 H new ATOM 0 HD21 LEU A 84 -16.200 -3.061 9.277 1.00 3.37 H new ATOM 0 HD22 LEU A 84 -17.124 -1.750 8.505 1.00 3.37 H new ATOM 0 HD23 LEU A 84 -15.586 -2.294 7.793 1.00 3.37 H new TER 1122 LEU A 84