USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 555 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 51 MET CE :methyl -117:sc= -1.32 (180deg=-0.372) USER MOD Set 1.2: A 75 LYS NZ :NH3+ -169:sc= -1 (180deg=-0.94) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 8 GLN : amide:sc= 0.0805 K(o=0.08,f=-2.3) USER MOD Single : A 13 LYS NZ :NH3+ -106:sc= 0.127! (180deg=-1.48!) USER MOD Single : A 17 SER OG : rot -16:sc= 0.828 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.03 USER MOD Single : A 30 LYS NZ :NH3+ -160:sc= -0.0281 (180deg=-0.503) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.563! USER MOD Single : A 36 MET CE :methyl -118:sc= -0.0216 (180deg=-1) USER MOD Single : A 38 SER OG : rot -34:sc= 1.14 USER MOD Single : A 41 GLN : amide:sc= -0.135 K(o=-0.13,f=-0.94) USER MOD Single : A 42 ASN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.589 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 53 ASN : amide:sc= -0.0656 K(o=-0.066,f=-1.1!) USER MOD Single : A 60 ASN : amide:sc= 0.305! C(o=0.31!,f=-7.2!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -135:sc= -0.718 (180deg=-3.5) USER MOD Single : A 72 MET CE :methyl -172:sc= -1.18 (180deg=-1.2) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 10.152 13.531 -8.089 1.00 1.13 N ATOM 14 CA ASP A 2 9.904 12.315 -7.267 1.00 1.00 C ATOM 15 C ASP A 2 9.824 11.096 -8.182 1.00 0.80 C ATOM 16 O ASP A 2 8.749 10.595 -8.448 1.00 0.77 O ATOM 17 CB ASP A 2 8.585 12.454 -6.519 1.00 1.04 C ATOM 18 CG ASP A 2 8.717 13.516 -5.426 1.00 1.66 C ATOM 19 OD1 ASP A 2 9.837 13.800 -5.034 1.00 2.26 O ATOM 20 OD2 ASP A 2 7.695 14.027 -4.998 1.00 2.21 O ATOM 0 HA ASP A 2 10.718 12.196 -6.552 1.00 1.00 H new ATOM 0 HB2 ASP A 2 7.791 12.730 -7.213 1.00 1.04 H new ATOM 0 HB3 ASP A 2 8.305 11.498 -6.077 1.00 1.04 H new ATOM 25 N GLN A 3 10.936 10.528 -8.553 1.00 0.74 N ATOM 26 CA GLN A 3 10.917 9.233 -9.322 1.00 0.58 C ATOM 27 C GLN A 3 11.253 8.163 -8.294 1.00 0.38 C ATOM 28 O GLN A 3 12.285 8.234 -7.656 1.00 0.32 O ATOM 29 CB GLN A 3 11.944 9.215 -10.469 1.00 0.57 C ATOM 30 CG GLN A 3 11.462 10.154 -11.571 1.00 0.81 C ATOM 31 CD GLN A 3 12.469 10.162 -12.725 1.00 0.78 C ATOM 32 OE1 GLN A 3 13.632 9.868 -12.534 1.00 0.99 O ATOM 33 NE2 GLN A 3 12.068 10.490 -13.924 1.00 1.84 N ATOM 0 H GLN A 3 11.866 10.899 -8.360 1.00 0.74 H new ATOM 0 HA GLN A 3 9.948 9.077 -9.797 1.00 0.58 H new ATOM 0 HB2 GLN A 3 12.922 9.530 -10.105 1.00 0.57 H new ATOM 0 HB3 GLN A 3 12.059 8.203 -10.858 1.00 0.57 H new ATOM 0 HG2 GLN A 3 10.484 9.834 -11.932 1.00 0.81 H new ATOM 0 HG3 GLN A 3 11.341 11.162 -11.175 1.00 0.81 H new ATOM 0 HE21 GLN A 3 11.092 10.737 -14.085 1.00 1.84 H new ATOM 0 HE22 GLN A 3 12.731 10.499 -14.699 1.00 1.84 H new ATOM 42 N LEU A 4 10.431 7.172 -8.099 1.00 0.32 N ATOM 43 CA LEU A 4 10.806 6.151 -7.081 1.00 0.20 C ATOM 44 C LEU A 4 12.110 5.497 -7.539 1.00 0.26 C ATOM 45 O LEU A 4 12.259 5.124 -8.686 1.00 0.35 O ATOM 46 CB LEU A 4 9.703 5.101 -6.924 1.00 0.29 C ATOM 47 CG LEU A 4 8.398 5.771 -6.477 1.00 0.17 C ATOM 48 CD1 LEU A 4 7.266 4.739 -6.510 1.00 0.21 C ATOM 49 CD2 LEU A 4 8.547 6.330 -5.050 1.00 0.02 C ATOM 0 H LEU A 4 9.544 7.025 -8.581 1.00 0.32 H new ATOM 0 HA LEU A 4 10.938 6.624 -6.108 1.00 0.20 H new ATOM 0 HB2 LEU A 4 9.549 4.580 -7.869 1.00 0.29 H new ATOM 0 HB3 LEU A 4 10.005 4.351 -6.193 1.00 0.29 H new ATOM 0 HG LEU A 4 8.168 6.594 -7.153 1.00 0.17 H new ATOM 0 HD11 LEU A 4 6.335 5.210 -6.193 1.00 0.21 H new ATOM 0 HD12 LEU A 4 7.152 4.356 -7.524 1.00 0.21 H new ATOM 0 HD13 LEU A 4 7.504 3.916 -5.836 1.00 0.21 H new ATOM 0 HD21 LEU A 4 7.613 6.803 -4.745 1.00 0.02 H new ATOM 0 HD22 LEU A 4 8.783 5.517 -4.364 1.00 0.02 H new ATOM 0 HD23 LEU A 4 9.350 7.067 -5.030 1.00 0.02 H new ATOM 61 N THR A 5 13.060 5.358 -6.654 1.00 0.23 N ATOM 62 CA THR A 5 14.359 4.736 -7.032 1.00 0.31 C ATOM 63 C THR A 5 14.257 3.213 -6.944 1.00 0.37 C ATOM 64 O THR A 5 13.355 2.674 -6.334 1.00 0.39 O ATOM 65 CB THR A 5 15.448 5.221 -6.073 1.00 0.29 C ATOM 66 OG1 THR A 5 15.217 4.670 -4.784 1.00 0.29 O ATOM 67 CG2 THR A 5 15.418 6.747 -5.992 1.00 0.22 C ATOM 0 H THR A 5 12.990 5.651 -5.679 1.00 0.23 H new ATOM 0 HA THR A 5 14.607 5.021 -8.055 1.00 0.31 H new ATOM 0 HB THR A 5 16.424 4.900 -6.437 1.00 0.29 H new ATOM 0 HG1 THR A 5 15.914 4.977 -4.167 1.00 0.29 H new ATOM 0 HG21 THR A 5 16.194 7.090 -5.308 1.00 0.22 H new ATOM 0 HG22 THR A 5 15.594 7.167 -6.982 1.00 0.22 H new ATOM 0 HG23 THR A 5 14.444 7.073 -5.628 1.00 0.22 H new ATOM 75 N GLU A 6 15.172 2.518 -7.561 1.00 0.42 N ATOM 76 CA GLU A 6 15.129 1.028 -7.530 1.00 0.49 C ATOM 77 C GLU A 6 15.170 0.513 -6.085 1.00 0.49 C ATOM 78 O GLU A 6 14.482 -0.426 -5.738 1.00 0.53 O ATOM 79 CB GLU A 6 16.333 0.473 -8.295 1.00 0.55 C ATOM 80 CG GLU A 6 16.167 0.759 -9.790 1.00 1.15 C ATOM 81 CD GLU A 6 17.370 0.202 -10.555 1.00 1.06 C ATOM 82 OE1 GLU A 6 18.340 -0.165 -9.911 1.00 0.89 O ATOM 83 OE2 GLU A 6 17.300 0.148 -11.772 1.00 2.08 O ATOM 0 H GLU A 6 15.949 2.918 -8.087 1.00 0.42 H new ATOM 0 HA GLU A 6 14.200 0.696 -7.994 1.00 0.49 H new ATOM 0 HB2 GLU A 6 17.252 0.929 -7.927 1.00 0.55 H new ATOM 0 HB3 GLU A 6 16.420 -0.600 -8.127 1.00 0.55 H new ATOM 0 HG2 GLU A 6 15.247 0.305 -10.158 1.00 1.15 H new ATOM 0 HG3 GLU A 6 16.081 1.833 -9.958 1.00 1.15 H new ATOM 90 N GLU A 7 15.961 1.114 -5.239 1.00 0.47 N ATOM 91 CA GLU A 7 16.030 0.648 -3.822 1.00 0.49 C ATOM 92 C GLU A 7 14.694 0.913 -3.125 1.00 0.46 C ATOM 93 O GLU A 7 14.196 0.084 -2.389 1.00 0.56 O ATOM 94 CB GLU A 7 17.141 1.408 -3.093 1.00 0.46 C ATOM 95 CG GLU A 7 18.485 1.113 -3.763 1.00 0.60 C ATOM 96 CD GLU A 7 19.599 1.870 -3.038 1.00 1.95 C ATOM 97 OE1 GLU A 7 19.288 2.828 -2.350 1.00 2.18 O ATOM 98 OE2 GLU A 7 20.746 1.480 -3.185 1.00 3.20 O ATOM 0 H GLU A 7 16.562 1.906 -5.466 1.00 0.47 H new ATOM 0 HA GLU A 7 16.241 -0.421 -3.803 1.00 0.49 H new ATOM 0 HB2 GLU A 7 16.939 2.479 -3.115 1.00 0.46 H new ATOM 0 HB3 GLU A 7 17.172 1.111 -2.045 1.00 0.46 H new ATOM 0 HG2 GLU A 7 18.686 0.042 -3.741 1.00 0.60 H new ATOM 0 HG3 GLU A 7 18.453 1.410 -4.811 1.00 0.60 H new ATOM 105 N GLN A 8 14.098 2.055 -3.352 1.00 0.33 N ATOM 106 CA GLN A 8 12.793 2.340 -2.697 1.00 0.30 C ATOM 107 C GLN A 8 11.773 1.320 -3.202 1.00 0.29 C ATOM 108 O GLN A 8 10.943 0.837 -2.457 1.00 0.28 O ATOM 109 CB GLN A 8 12.324 3.762 -3.030 1.00 0.30 C ATOM 110 CG GLN A 8 13.224 4.776 -2.320 1.00 0.29 C ATOM 111 CD GLN A 8 12.789 6.195 -2.689 1.00 0.34 C ATOM 112 OE1 GLN A 8 12.188 6.410 -3.724 1.00 0.59 O ATOM 113 NE2 GLN A 8 13.069 7.181 -1.881 1.00 0.97 N ATOM 0 H GLN A 8 14.456 2.794 -3.957 1.00 0.33 H new ATOM 0 HA GLN A 8 12.898 2.265 -1.615 1.00 0.30 H new ATOM 0 HB2 GLN A 8 12.355 3.924 -4.107 1.00 0.30 H new ATOM 0 HB3 GLN A 8 11.289 3.897 -2.717 1.00 0.30 H new ATOM 0 HG2 GLN A 8 13.166 4.636 -1.241 1.00 0.29 H new ATOM 0 HG3 GLN A 8 14.264 4.618 -2.606 1.00 0.29 H new ATOM 0 HE21 GLN A 8 13.573 7.001 -1.013 1.00 0.97 H new ATOM 0 HE22 GLN A 8 12.784 8.131 -2.118 1.00 0.97 H new ATOM 122 N ILE A 9 11.828 0.986 -4.466 1.00 0.30 N ATOM 123 CA ILE A 9 10.858 -0.001 -5.004 1.00 0.29 C ATOM 124 C ILE A 9 11.105 -1.361 -4.352 1.00 0.26 C ATOM 125 O ILE A 9 10.181 -2.059 -3.984 1.00 0.25 O ATOM 126 CB ILE A 9 11.004 -0.123 -6.528 1.00 0.29 C ATOM 127 CG1 ILE A 9 10.582 1.196 -7.183 1.00 0.36 C ATOM 128 CG2 ILE A 9 10.112 -1.262 -7.043 1.00 0.29 C ATOM 129 CD1 ILE A 9 11.006 1.197 -8.654 1.00 0.36 C ATOM 0 H ILE A 9 12.499 1.353 -5.141 1.00 0.30 H new ATOM 0 HA ILE A 9 9.847 0.337 -4.778 1.00 0.29 H new ATOM 0 HB ILE A 9 12.042 -0.340 -6.778 1.00 0.29 H new ATOM 0 HG12 ILE A 9 9.502 1.323 -7.105 1.00 0.36 H new ATOM 0 HG13 ILE A 9 11.041 2.036 -6.661 1.00 0.36 H new ATOM 0 HG21 ILE A 9 10.218 -1.346 -8.125 1.00 0.29 H new ATOM 0 HG22 ILE A 9 10.412 -2.199 -6.575 1.00 0.29 H new ATOM 0 HG23 ILE A 9 9.072 -1.050 -6.795 1.00 0.29 H new ATOM 0 HD11 ILE A 9 10.705 2.136 -9.119 1.00 0.36 H new ATOM 0 HD12 ILE A 9 12.089 1.090 -8.721 1.00 0.36 H new ATOM 0 HD13 ILE A 9 10.526 0.366 -9.171 1.00 0.36 H new ATOM 141 N ALA A 10 12.339 -1.750 -4.216 1.00 0.25 N ATOM 142 CA ALA A 10 12.636 -3.067 -3.601 1.00 0.22 C ATOM 143 C ALA A 10 12.125 -3.109 -2.148 1.00 0.20 C ATOM 144 O ALA A 10 11.441 -4.033 -1.758 1.00 0.30 O ATOM 145 CB ALA A 10 14.160 -3.309 -3.650 1.00 0.25 C ATOM 0 H ALA A 10 13.155 -1.211 -4.505 1.00 0.25 H new ATOM 0 HA ALA A 10 12.127 -3.854 -4.157 1.00 0.22 H new ATOM 0 HB1 ALA A 10 14.390 -4.275 -3.200 1.00 0.25 H new ATOM 0 HB2 ALA A 10 14.496 -3.302 -4.687 1.00 0.25 H new ATOM 0 HB3 ALA A 10 14.672 -2.521 -3.098 1.00 0.25 H new ATOM 151 N GLU A 11 12.448 -2.128 -1.340 1.00 0.16 N ATOM 152 CA GLU A 11 11.977 -2.149 0.075 1.00 0.16 C ATOM 153 C GLU A 11 10.447 -2.252 0.085 1.00 0.12 C ATOM 154 O GLU A 11 9.871 -2.974 0.876 1.00 0.12 O ATOM 155 CB GLU A 11 12.453 -0.855 0.776 1.00 0.23 C ATOM 156 CG GLU A 11 13.048 -1.183 2.148 1.00 0.85 C ATOM 157 CD GLU A 11 13.495 0.107 2.838 1.00 1.20 C ATOM 158 OE1 GLU A 11 13.579 1.119 2.161 1.00 1.92 O ATOM 159 OE2 GLU A 11 13.748 0.062 4.031 1.00 1.54 O ATOM 0 H GLU A 11 13.014 -1.320 -1.599 1.00 0.16 H new ATOM 0 HA GLU A 11 12.386 -3.006 0.610 1.00 0.16 H new ATOM 0 HB2 GLU A 11 13.198 -0.352 0.160 1.00 0.23 H new ATOM 0 HB3 GLU A 11 11.616 -0.166 0.890 1.00 0.23 H new ATOM 0 HG2 GLU A 11 12.309 -1.698 2.762 1.00 0.85 H new ATOM 0 HG3 GLU A 11 13.896 -1.859 2.035 1.00 0.85 H new ATOM 166 N PHE A 12 9.782 -1.551 -0.794 1.00 0.11 N ATOM 167 CA PHE A 12 8.296 -1.639 -0.825 1.00 0.07 C ATOM 168 C PHE A 12 7.890 -3.058 -1.215 1.00 0.04 C ATOM 169 O PHE A 12 6.948 -3.609 -0.680 1.00 0.06 O ATOM 170 CB PHE A 12 7.704 -0.649 -1.836 1.00 0.04 C ATOM 171 CG PHE A 12 8.156 0.786 -1.588 1.00 0.13 C ATOM 172 CD1 PHE A 12 8.446 1.267 -0.295 1.00 2.03 C ATOM 173 CD2 PHE A 12 8.261 1.654 -2.684 1.00 2.23 C ATOM 174 CE1 PHE A 12 8.836 2.600 -0.115 1.00 1.99 C ATOM 175 CE2 PHE A 12 8.654 2.983 -2.499 1.00 2.27 C ATOM 176 CZ PHE A 12 8.940 3.457 -1.216 1.00 0.30 C ATOM 0 H PHE A 12 10.200 -0.928 -1.485 1.00 0.11 H new ATOM 0 HA PHE A 12 7.913 -1.390 0.165 1.00 0.07 H new ATOM 0 HB2 PHE A 12 7.994 -0.948 -2.843 1.00 0.04 H new ATOM 0 HB3 PHE A 12 6.616 -0.696 -1.790 1.00 0.04 H new ATOM 0 HD1 PHE A 12 8.367 0.608 0.557 1.00 2.03 H new ATOM 0 HD2 PHE A 12 8.037 1.294 -3.677 1.00 2.23 H new ATOM 0 HE1 PHE A 12 9.057 2.967 0.876 1.00 1.99 H new ATOM 0 HE2 PHE A 12 8.737 3.644 -3.349 1.00 2.27 H new ATOM 0 HZ PHE A 12 9.241 4.484 -1.074 1.00 0.30 H new ATOM 186 N LYS A 13 8.573 -3.654 -2.145 1.00 0.04 N ATOM 187 CA LYS A 13 8.214 -5.032 -2.577 1.00 0.04 C ATOM 188 C LYS A 13 8.385 -6.034 -1.433 1.00 0.06 C ATOM 189 O LYS A 13 7.543 -6.883 -1.213 1.00 0.10 O ATOM 190 CB LYS A 13 9.152 -5.423 -3.732 1.00 0.06 C ATOM 191 CG LYS A 13 8.521 -6.538 -4.587 1.00 0.14 C ATOM 192 CD LYS A 13 7.560 -5.936 -5.623 1.00 0.04 C ATOM 193 CE LYS A 13 7.254 -6.969 -6.710 1.00 0.14 C ATOM 194 NZ LYS A 13 6.002 -6.582 -7.420 1.00 0.79 N ATOM 0 H LYS A 13 9.371 -3.244 -2.630 1.00 0.04 H new ATOM 0 HA LYS A 13 7.170 -5.051 -2.888 1.00 0.04 H new ATOM 0 HB2 LYS A 13 9.355 -4.551 -4.354 1.00 0.06 H new ATOM 0 HB3 LYS A 13 10.109 -5.760 -3.333 1.00 0.06 H new ATOM 0 HG2 LYS A 13 9.303 -7.105 -5.092 1.00 0.14 H new ATOM 0 HG3 LYS A 13 7.984 -7.237 -3.946 1.00 0.14 H new ATOM 0 HD2 LYS A 13 6.636 -5.623 -5.136 1.00 0.04 H new ATOM 0 HD3 LYS A 13 8.003 -5.046 -6.069 1.00 0.04 H new ATOM 0 HE2 LYS A 13 8.083 -7.027 -7.416 1.00 0.14 H new ATOM 0 HE3 LYS A 13 7.143 -7.958 -6.266 1.00 0.14 H new ATOM 0 HZ1 LYS A 13 5.227 -7.210 -7.125 1.00 0.79 H new ATOM 0 HZ2 LYS A 13 5.759 -5.599 -7.184 1.00 0.79 H new ATOM 0 HZ3 LYS A 13 6.145 -6.666 -8.447 1.00 0.79 H new ATOM 208 N GLU A 14 9.465 -5.955 -0.710 1.00 0.06 N ATOM 209 CA GLU A 14 9.673 -6.920 0.404 1.00 0.09 C ATOM 210 C GLU A 14 8.543 -6.759 1.415 1.00 0.10 C ATOM 211 O GLU A 14 7.978 -7.723 1.900 1.00 0.18 O ATOM 212 CB GLU A 14 11.002 -6.629 1.101 1.00 0.11 C ATOM 213 CG GLU A 14 12.136 -6.746 0.090 1.00 0.26 C ATOM 214 CD GLU A 14 13.471 -6.457 0.778 1.00 0.79 C ATOM 215 OE1 GLU A 14 13.451 -5.836 1.828 1.00 2.01 O ATOM 216 OE2 GLU A 14 14.490 -6.857 0.241 1.00 0.55 O ATOM 0 H GLU A 14 10.209 -5.269 -0.840 1.00 0.06 H new ATOM 0 HA GLU A 14 9.685 -7.935 0.006 1.00 0.09 H new ATOM 0 HB2 GLU A 14 10.987 -5.629 1.534 1.00 0.11 H new ATOM 0 HB3 GLU A 14 11.157 -7.330 1.921 1.00 0.11 H new ATOM 0 HG2 GLU A 14 12.148 -7.746 -0.343 1.00 0.26 H new ATOM 0 HG3 GLU A 14 11.979 -6.045 -0.730 1.00 0.26 H new ATOM 223 N ALA A 15 8.208 -5.542 1.738 1.00 0.03 N ATOM 224 CA ALA A 15 7.117 -5.313 2.726 1.00 0.08 C ATOM 225 C ALA A 15 5.797 -5.810 2.137 1.00 0.11 C ATOM 226 O ALA A 15 4.992 -6.411 2.817 1.00 0.16 O ATOM 227 CB ALA A 15 7.027 -3.823 3.079 1.00 0.10 C ATOM 0 H ALA A 15 8.640 -4.698 1.362 1.00 0.03 H new ATOM 0 HA ALA A 15 7.329 -5.864 3.642 1.00 0.08 H new ATOM 0 HB1 ALA A 15 6.226 -3.668 3.802 1.00 0.10 H new ATOM 0 HB2 ALA A 15 7.973 -3.493 3.509 1.00 0.10 H new ATOM 0 HB3 ALA A 15 6.818 -3.247 2.177 1.00 0.10 H new ATOM 233 N PHE A 16 5.566 -5.560 0.877 1.00 0.07 N ATOM 234 CA PHE A 16 4.302 -6.007 0.233 1.00 0.08 C ATOM 235 C PHE A 16 4.247 -7.529 0.236 1.00 0.09 C ATOM 236 O PHE A 16 3.207 -8.125 0.434 1.00 0.14 O ATOM 237 CB PHE A 16 4.283 -5.486 -1.206 1.00 0.09 C ATOM 238 CG PHE A 16 2.915 -5.660 -1.823 1.00 0.07 C ATOM 239 CD1 PHE A 16 2.599 -6.843 -2.503 1.00 0.11 C ATOM 240 CD2 PHE A 16 1.973 -4.626 -1.738 1.00 0.05 C ATOM 241 CE1 PHE A 16 1.341 -6.991 -3.101 1.00 0.11 C ATOM 242 CE2 PHE A 16 0.713 -4.777 -2.330 1.00 0.04 C ATOM 243 CZ PHE A 16 0.399 -5.958 -3.013 1.00 0.07 C ATOM 0 H PHE A 16 6.207 -5.060 0.261 1.00 0.07 H new ATOM 0 HA PHE A 16 3.440 -5.621 0.777 1.00 0.08 H new ATOM 0 HB2 PHE A 16 4.561 -4.432 -1.219 1.00 0.09 H new ATOM 0 HB3 PHE A 16 5.025 -6.019 -1.800 1.00 0.09 H new ATOM 0 HD1 PHE A 16 3.325 -7.640 -2.566 1.00 0.11 H new ATOM 0 HD2 PHE A 16 2.219 -3.713 -1.216 1.00 0.05 H new ATOM 0 HE1 PHE A 16 1.098 -7.901 -3.630 1.00 0.11 H new ATOM 0 HE2 PHE A 16 -0.016 -3.983 -2.260 1.00 0.04 H new ATOM 0 HZ PHE A 16 -0.571 -6.073 -3.473 1.00 0.07 H new ATOM 253 N SER A 17 5.352 -8.163 -0.024 1.00 0.20 N ATOM 254 CA SER A 17 5.367 -9.644 -0.085 1.00 0.22 C ATOM 255 C SER A 17 5.024 -10.300 1.258 1.00 0.20 C ATOM 256 O SER A 17 4.438 -11.363 1.318 1.00 0.21 O ATOM 257 CB SER A 17 6.758 -10.107 -0.517 1.00 0.32 C ATOM 258 OG SER A 17 7.717 -9.659 0.432 1.00 1.06 O ATOM 0 H SER A 17 6.251 -7.714 -0.198 1.00 0.20 H new ATOM 0 HA SER A 17 4.603 -9.947 -0.801 1.00 0.22 H new ATOM 0 HB2 SER A 17 6.785 -11.194 -0.593 1.00 0.32 H new ATOM 0 HB3 SER A 17 6.995 -9.712 -1.505 1.00 0.32 H new ATOM 0 HG SER A 17 7.324 -8.953 0.986 1.00 1.06 H new ATOM 264 N LEU A 18 5.407 -9.660 2.340 1.00 0.23 N ATOM 265 CA LEU A 18 5.142 -10.204 3.709 1.00 0.23 C ATOM 266 C LEU A 18 3.637 -10.416 3.923 1.00 0.18 C ATOM 267 O LEU A 18 3.239 -11.284 4.675 1.00 0.20 O ATOM 268 CB LEU A 18 5.643 -9.183 4.761 1.00 0.26 C ATOM 269 CG LEU A 18 7.128 -9.390 5.097 1.00 0.18 C ATOM 270 CD1 LEU A 18 7.630 -8.195 5.920 1.00 0.27 C ATOM 271 CD2 LEU A 18 7.309 -10.671 5.931 1.00 0.12 C ATOM 0 H LEU A 18 5.901 -8.768 2.329 1.00 0.23 H new ATOM 0 HA LEU A 18 5.660 -11.158 3.813 1.00 0.23 H new ATOM 0 HB2 LEU A 18 5.493 -8.171 4.385 1.00 0.26 H new ATOM 0 HB3 LEU A 18 5.048 -9.277 5.670 1.00 0.26 H new ATOM 0 HG LEU A 18 7.692 -9.477 4.168 1.00 0.18 H new ATOM 0 HD11 LEU A 18 8.683 -8.336 6.161 1.00 0.27 H new ATOM 0 HD12 LEU A 18 7.510 -7.279 5.342 1.00 0.27 H new ATOM 0 HD13 LEU A 18 7.053 -8.120 6.842 1.00 0.27 H new ATOM 0 HD21 LEU A 18 8.365 -10.808 6.163 1.00 0.12 H new ATOM 0 HD22 LEU A 18 6.742 -10.585 6.858 1.00 0.12 H new ATOM 0 HD23 LEU A 18 6.948 -11.529 5.363 1.00 0.12 H new ATOM 283 N PHE A 19 2.800 -9.620 3.304 1.00 0.15 N ATOM 284 CA PHE A 19 1.323 -9.766 3.516 1.00 0.11 C ATOM 285 C PHE A 19 0.682 -10.481 2.328 1.00 0.07 C ATOM 286 O PHE A 19 -0.524 -10.561 2.209 1.00 0.07 O ATOM 287 CB PHE A 19 0.721 -8.387 3.752 1.00 0.10 C ATOM 288 CG PHE A 19 1.351 -7.844 5.009 1.00 0.06 C ATOM 289 CD1 PHE A 19 2.631 -7.284 4.953 1.00 0.07 C ATOM 290 CD2 PHE A 19 0.678 -7.933 6.231 1.00 0.08 C ATOM 291 CE1 PHE A 19 3.242 -6.812 6.119 1.00 0.04 C ATOM 292 CE2 PHE A 19 1.286 -7.454 7.399 1.00 0.08 C ATOM 293 CZ PHE A 19 2.570 -6.896 7.342 1.00 0.02 C ATOM 0 H PHE A 19 3.073 -8.876 2.662 1.00 0.15 H new ATOM 0 HA PHE A 19 1.127 -10.381 4.395 1.00 0.11 H new ATOM 0 HB2 PHE A 19 0.919 -7.729 2.906 1.00 0.10 H new ATOM 0 HB3 PHE A 19 -0.362 -8.451 3.859 1.00 0.10 H new ATOM 0 HD1 PHE A 19 3.149 -7.216 4.008 1.00 0.07 H new ATOM 0 HD2 PHE A 19 -0.309 -8.370 6.275 1.00 0.08 H new ATOM 0 HE1 PHE A 19 4.232 -6.383 6.075 1.00 0.04 H new ATOM 0 HE2 PHE A 19 0.765 -7.515 8.343 1.00 0.08 H new ATOM 0 HZ PHE A 19 3.041 -6.531 8.243 1.00 0.02 H new ATOM 303 N ASP A 20 1.491 -11.071 1.492 1.00 0.06 N ATOM 304 CA ASP A 20 0.960 -11.873 0.353 1.00 0.05 C ATOM 305 C ASP A 20 1.048 -13.331 0.799 1.00 0.06 C ATOM 306 O ASP A 20 2.038 -14.002 0.584 1.00 0.09 O ATOM 307 CB ASP A 20 1.827 -11.652 -0.889 1.00 0.09 C ATOM 308 CG ASP A 20 1.271 -12.476 -2.052 1.00 0.13 C ATOM 309 OD1 ASP A 20 0.283 -13.161 -1.848 1.00 1.13 O ATOM 310 OD2 ASP A 20 1.842 -12.406 -3.128 1.00 0.91 O ATOM 0 H ASP A 20 2.509 -11.031 1.550 1.00 0.06 H new ATOM 0 HA ASP A 20 -0.061 -11.589 0.098 1.00 0.05 H new ATOM 0 HB2 ASP A 20 1.841 -10.594 -1.152 1.00 0.09 H new ATOM 0 HB3 ASP A 20 2.857 -11.943 -0.683 1.00 0.09 H new ATOM 315 N LYS A 21 0.051 -13.795 1.498 1.00 0.05 N ATOM 316 CA LYS A 21 0.094 -15.175 2.058 1.00 0.08 C ATOM 317 C LYS A 21 -0.072 -16.255 1.002 1.00 0.01 C ATOM 318 O LYS A 21 0.377 -17.367 1.199 1.00 0.02 O ATOM 319 CB LYS A 21 -1.015 -15.328 3.103 1.00 0.15 C ATOM 320 CG LYS A 21 -0.879 -14.243 4.180 1.00 0.16 C ATOM 321 CD LYS A 21 0.357 -14.506 5.053 1.00 0.20 C ATOM 322 CE LYS A 21 0.235 -13.726 6.365 1.00 0.35 C ATOM 323 NZ LYS A 21 1.392 -14.051 7.246 1.00 2.14 N ATOM 0 H LYS A 21 -0.800 -13.273 1.707 1.00 0.05 H new ATOM 0 HA LYS A 21 1.080 -15.307 2.502 1.00 0.08 H new ATOM 0 HB2 LYS A 21 -1.991 -15.254 2.623 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -0.959 -16.315 3.561 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -0.798 -13.263 3.710 1.00 0.16 H new ATOM 0 HG3 LYS A 21 -1.774 -14.225 4.802 1.00 0.16 H new ATOM 0 HD2 LYS A 21 0.449 -15.572 5.259 1.00 0.20 H new ATOM 0 HD3 LYS A 21 1.260 -14.205 4.522 1.00 0.20 H new ATOM 0 HE2 LYS A 21 0.208 -12.655 6.163 1.00 0.35 H new ATOM 0 HE3 LYS A 21 -0.699 -13.980 6.866 1.00 0.35 H new ATOM 0 HZ1 LYS A 21 1.309 -13.521 8.137 1.00 2.14 H new ATOM 0 HZ2 LYS A 21 1.398 -15.071 7.449 1.00 2.14 H new ATOM 0 HZ3 LYS A 21 2.277 -13.788 6.768 1.00 2.14 H new ATOM 337 N ASP A 22 -0.743 -15.994 -0.082 1.00 0.05 N ATOM 338 CA ASP A 22 -0.961 -17.083 -1.088 1.00 0.12 C ATOM 339 C ASP A 22 0.047 -16.977 -2.230 1.00 0.17 C ATOM 340 O ASP A 22 0.024 -17.780 -3.141 1.00 0.24 O ATOM 341 CB ASP A 22 -2.374 -16.956 -1.660 1.00 0.17 C ATOM 342 CG ASP A 22 -3.397 -17.331 -0.586 1.00 0.26 C ATOM 343 OD1 ASP A 22 -3.016 -18.003 0.359 1.00 0.81 O ATOM 344 OD2 ASP A 22 -4.544 -16.941 -0.727 1.00 0.97 O ATOM 0 H ASP A 22 -1.148 -15.088 -0.319 1.00 0.05 H new ATOM 0 HA ASP A 22 -0.832 -18.046 -0.594 1.00 0.12 H new ATOM 0 HB2 ASP A 22 -2.548 -15.936 -2.003 1.00 0.17 H new ATOM 0 HB3 ASP A 22 -2.486 -17.607 -2.527 1.00 0.17 H new ATOM 349 N GLY A 23 0.932 -16.018 -2.222 1.00 0.16 N ATOM 350 CA GLY A 23 1.909 -15.920 -3.341 1.00 0.24 C ATOM 351 C GLY A 23 1.176 -15.488 -4.612 1.00 0.27 C ATOM 352 O GLY A 23 1.522 -15.890 -5.705 1.00 0.34 O ATOM 0 H GLY A 23 1.020 -15.306 -1.497 1.00 0.16 H new ATOM 0 HA2 GLY A 23 2.691 -15.201 -3.095 1.00 0.24 H new ATOM 0 HA3 GLY A 23 2.398 -16.881 -3.498 1.00 0.24 H new ATOM 356 N ASP A 24 0.165 -14.663 -4.475 1.00 0.23 N ATOM 357 CA ASP A 24 -0.600 -14.190 -5.673 1.00 0.28 C ATOM 358 C ASP A 24 -0.159 -12.772 -6.060 1.00 0.25 C ATOM 359 O ASP A 24 -0.569 -12.240 -7.073 1.00 0.30 O ATOM 360 CB ASP A 24 -2.101 -14.211 -5.377 1.00 0.31 C ATOM 361 CG ASP A 24 -2.880 -13.957 -6.670 1.00 0.54 C ATOM 362 OD1 ASP A 24 -2.301 -14.126 -7.730 1.00 0.49 O ATOM 363 OD2 ASP A 24 -4.043 -13.597 -6.577 1.00 1.66 O ATOM 0 H ASP A 24 -0.164 -14.296 -3.582 1.00 0.23 H new ATOM 0 HA ASP A 24 -0.394 -14.860 -6.508 1.00 0.28 H new ATOM 0 HB2 ASP A 24 -2.385 -15.174 -4.952 1.00 0.31 H new ATOM 0 HB3 ASP A 24 -2.347 -13.450 -4.636 1.00 0.31 H new ATOM 368 N GLY A 25 0.694 -12.165 -5.276 1.00 0.17 N ATOM 369 CA GLY A 25 1.180 -10.797 -5.616 1.00 0.13 C ATOM 370 C GLY A 25 0.146 -9.733 -5.230 1.00 0.11 C ATOM 371 O GLY A 25 0.210 -8.611 -5.693 1.00 0.09 O ATOM 0 H GLY A 25 1.074 -12.559 -4.415 1.00 0.17 H new ATOM 0 HA2 GLY A 25 2.119 -10.602 -5.097 1.00 0.13 H new ATOM 0 HA3 GLY A 25 1.388 -10.736 -6.684 1.00 0.13 H new ATOM 375 N THR A 26 -0.815 -10.070 -4.395 1.00 0.12 N ATOM 376 CA THR A 26 -1.859 -9.068 -3.994 1.00 0.10 C ATOM 377 C THR A 26 -2.076 -9.091 -2.482 1.00 0.09 C ATOM 378 O THR A 26 -1.818 -10.071 -1.811 1.00 0.09 O ATOM 379 CB THR A 26 -3.184 -9.387 -4.691 1.00 0.13 C ATOM 380 OG1 THR A 26 -3.623 -10.680 -4.300 1.00 0.16 O ATOM 381 CG2 THR A 26 -2.990 -9.349 -6.207 1.00 0.13 C ATOM 0 H THR A 26 -0.920 -10.994 -3.975 1.00 0.12 H new ATOM 0 HA THR A 26 -1.512 -8.078 -4.291 1.00 0.10 H new ATOM 0 HB THR A 26 -3.931 -8.647 -4.406 1.00 0.13 H new ATOM 0 HG1 THR A 26 -4.472 -10.885 -4.744 1.00 0.16 H new ATOM 0 HG21 THR A 26 -3.935 -9.576 -6.701 1.00 0.13 H new ATOM 0 HG22 THR A 26 -2.654 -8.356 -6.506 1.00 0.13 H new ATOM 0 HG23 THR A 26 -2.242 -10.087 -6.497 1.00 0.13 H new ATOM 389 N ILE A 27 -2.577 -8.006 -1.956 1.00 0.08 N ATOM 390 CA ILE A 27 -2.859 -7.914 -0.493 1.00 0.06 C ATOM 391 C ILE A 27 -4.263 -7.339 -0.331 1.00 0.08 C ATOM 392 O ILE A 27 -4.766 -6.667 -1.209 1.00 0.11 O ATOM 393 CB ILE A 27 -1.834 -6.998 0.198 1.00 0.06 C ATOM 394 CG1 ILE A 27 -1.898 -5.580 -0.392 1.00 0.06 C ATOM 395 CG2 ILE A 27 -0.426 -7.574 0.009 1.00 0.07 C ATOM 396 CD1 ILE A 27 -0.901 -4.672 0.333 1.00 0.07 C ATOM 0 H ILE A 27 -2.807 -7.166 -2.486 1.00 0.08 H new ATOM 0 HA ILE A 27 -2.789 -8.900 -0.033 1.00 0.06 H new ATOM 0 HB ILE A 27 -2.068 -6.944 1.261 1.00 0.06 H new ATOM 0 HG12 ILE A 27 -1.670 -5.609 -1.457 1.00 0.06 H new ATOM 0 HG13 ILE A 27 -2.907 -5.180 -0.293 1.00 0.06 H new ATOM 0 HG21 ILE A 27 0.301 -6.926 0.498 1.00 0.07 H new ATOM 0 HG22 ILE A 27 -0.378 -8.570 0.449 1.00 0.07 H new ATOM 0 HG23 ILE A 27 -0.198 -7.636 -1.055 1.00 0.07 H new ATOM 0 HD11 ILE A 27 -0.950 -3.668 -0.089 1.00 0.07 H new ATOM 0 HD12 ILE A 27 -1.149 -4.633 1.394 1.00 0.07 H new ATOM 0 HD13 ILE A 27 0.107 -5.068 0.211 1.00 0.07 H new ATOM 408 N THR A 28 -4.912 -7.598 0.764 1.00 0.08 N ATOM 409 CA THR A 28 -6.289 -7.061 0.943 1.00 0.09 C ATOM 410 C THR A 28 -6.238 -5.622 1.455 1.00 0.06 C ATOM 411 O THR A 28 -5.237 -5.163 1.966 1.00 0.02 O ATOM 412 CB THR A 28 -7.044 -7.904 1.967 1.00 0.11 C ATOM 413 OG1 THR A 28 -6.701 -7.464 3.276 1.00 0.09 O ATOM 414 CG2 THR A 28 -6.675 -9.381 1.806 1.00 0.12 C ATOM 0 H THR A 28 -4.554 -8.155 1.540 1.00 0.08 H new ATOM 0 HA THR A 28 -6.794 -7.092 -0.022 1.00 0.09 H new ATOM 0 HB THR A 28 -8.117 -7.791 1.809 1.00 0.11 H new ATOM 0 HG1 THR A 28 -7.184 -8.001 3.939 1.00 0.09 H new ATOM 0 HG21 THR A 28 -7.219 -9.974 2.541 1.00 0.12 H new ATOM 0 HG22 THR A 28 -6.940 -9.715 0.803 1.00 0.12 H new ATOM 0 HG23 THR A 28 -5.603 -9.507 1.959 1.00 0.12 H new ATOM 422 N THR A 29 -7.328 -4.918 1.332 1.00 0.08 N ATOM 423 CA THR A 29 -7.392 -3.513 1.816 1.00 0.06 C ATOM 424 C THR A 29 -7.208 -3.459 3.339 1.00 0.07 C ATOM 425 O THR A 29 -6.641 -2.526 3.871 1.00 0.06 O ATOM 426 CB THR A 29 -8.761 -2.933 1.446 1.00 0.07 C ATOM 427 OG1 THR A 29 -9.767 -3.901 1.708 1.00 0.08 O ATOM 428 CG2 THR A 29 -8.778 -2.565 -0.039 1.00 0.07 C ATOM 0 H THR A 29 -8.190 -5.263 0.910 1.00 0.08 H new ATOM 0 HA THR A 29 -6.594 -2.933 1.352 1.00 0.06 H new ATOM 0 HB THR A 29 -8.951 -2.039 2.040 1.00 0.07 H new ATOM 0 HG1 THR A 29 -10.644 -3.533 1.474 1.00 0.08 H new ATOM 0 HG21 THR A 29 -9.752 -2.153 -0.301 1.00 0.07 H new ATOM 0 HG22 THR A 29 -8.005 -1.823 -0.239 1.00 0.07 H new ATOM 0 HG23 THR A 29 -8.589 -3.457 -0.637 1.00 0.07 H new ATOM 436 N LYS A 30 -7.701 -4.439 4.044 1.00 0.10 N ATOM 437 CA LYS A 30 -7.581 -4.438 5.532 1.00 0.13 C ATOM 438 C LYS A 30 -6.115 -4.557 5.967 1.00 0.11 C ATOM 439 O LYS A 30 -5.773 -4.224 7.084 1.00 0.14 O ATOM 440 CB LYS A 30 -8.369 -5.624 6.092 1.00 0.17 C ATOM 441 CG LYS A 30 -9.865 -5.399 5.865 1.00 0.26 C ATOM 442 CD LYS A 30 -10.649 -6.585 6.429 1.00 0.39 C ATOM 443 CE LYS A 30 -12.146 -6.367 6.201 1.00 1.87 C ATOM 444 NZ LYS A 30 -12.597 -5.172 6.968 1.00 3.55 N ATOM 0 H LYS A 30 -8.185 -5.247 3.652 1.00 0.10 H new ATOM 0 HA LYS A 30 -7.978 -3.498 5.915 1.00 0.13 H new ATOM 0 HB2 LYS A 30 -8.052 -6.547 5.606 1.00 0.17 H new ATOM 0 HB3 LYS A 30 -8.166 -5.739 7.157 1.00 0.17 H new ATOM 0 HG2 LYS A 30 -10.183 -4.476 6.349 1.00 0.26 H new ATOM 0 HG3 LYS A 30 -10.070 -5.287 4.800 1.00 0.26 H new ATOM 0 HD2 LYS A 30 -10.328 -7.508 5.946 1.00 0.39 H new ATOM 0 HD3 LYS A 30 -10.445 -6.695 7.494 1.00 0.39 H new ATOM 0 HE2 LYS A 30 -12.346 -6.227 5.139 1.00 1.87 H new ATOM 0 HE3 LYS A 30 -12.705 -7.248 6.518 1.00 1.87 H new ATOM 0 HZ1 LYS A 30 -13.628 -5.211 7.097 1.00 3.55 H new ATOM 0 HZ2 LYS A 30 -12.132 -5.161 7.898 1.00 3.55 H new ATOM 0 HZ3 LYS A 30 -12.346 -4.309 6.445 1.00 3.55 H new ATOM 458 N GLU A 31 -5.247 -5.063 5.121 1.00 0.07 N ATOM 459 CA GLU A 31 -3.813 -5.235 5.536 1.00 0.08 C ATOM 460 C GLU A 31 -2.977 -4.058 5.019 1.00 0.08 C ATOM 461 O GLU A 31 -1.790 -3.978 5.264 1.00 0.17 O ATOM 462 CB GLU A 31 -3.262 -6.533 4.942 1.00 0.07 C ATOM 463 CG GLU A 31 -4.063 -7.726 5.471 1.00 0.10 C ATOM 464 CD GLU A 31 -3.730 -8.974 4.648 1.00 0.08 C ATOM 465 OE1 GLU A 31 -3.252 -8.817 3.536 1.00 0.25 O ATOM 466 OE2 GLU A 31 -3.959 -10.065 5.144 1.00 0.22 O ATOM 0 H GLU A 31 -5.465 -5.362 4.170 1.00 0.07 H new ATOM 0 HA GLU A 31 -3.760 -5.272 6.624 1.00 0.08 H new ATOM 0 HB2 GLU A 31 -3.319 -6.499 3.854 1.00 0.07 H new ATOM 0 HB3 GLU A 31 -2.210 -6.645 5.203 1.00 0.07 H new ATOM 0 HG2 GLU A 31 -3.828 -7.897 6.521 1.00 0.10 H new ATOM 0 HG3 GLU A 31 -5.131 -7.514 5.413 1.00 0.10 H new ATOM 473 N LEU A 32 -3.579 -3.149 4.304 1.00 0.08 N ATOM 474 CA LEU A 32 -2.803 -1.989 3.777 1.00 0.06 C ATOM 475 C LEU A 32 -2.205 -1.189 4.943 1.00 0.07 C ATOM 476 O LEU A 32 -1.024 -0.905 4.970 1.00 0.06 O ATOM 477 CB LEU A 32 -3.736 -1.102 2.938 1.00 0.05 C ATOM 478 CG LEU A 32 -3.055 0.226 2.588 1.00 0.03 C ATOM 479 CD1 LEU A 32 -1.697 -0.044 1.939 1.00 0.03 C ATOM 480 CD2 LEU A 32 -3.941 1.000 1.609 1.00 0.02 C ATOM 0 H LEU A 32 -4.570 -3.157 4.062 1.00 0.08 H new ATOM 0 HA LEU A 32 -1.986 -2.344 3.149 1.00 0.06 H new ATOM 0 HB2 LEU A 32 -4.016 -1.624 2.023 1.00 0.05 H new ATOM 0 HB3 LEU A 32 -4.656 -0.910 3.490 1.00 0.05 H new ATOM 0 HG LEU A 32 -2.908 0.810 3.497 1.00 0.03 H new ATOM 0 HD11 LEU A 32 -1.217 0.903 1.692 1.00 0.03 H new ATOM 0 HD12 LEU A 32 -1.067 -0.600 2.633 1.00 0.03 H new ATOM 0 HD13 LEU A 32 -1.838 -0.627 1.029 1.00 0.03 H new ATOM 0 HD21 LEU A 32 -3.463 1.946 1.355 1.00 0.02 H new ATOM 0 HD22 LEU A 32 -4.083 0.411 0.703 1.00 0.02 H new ATOM 0 HD23 LEU A 32 -4.909 1.195 2.070 1.00 0.02 H new ATOM 492 N GLY A 33 -3.008 -0.823 5.905 1.00 0.07 N ATOM 493 CA GLY A 33 -2.483 -0.042 7.062 1.00 0.08 C ATOM 494 C GLY A 33 -1.296 -0.771 7.708 1.00 0.07 C ATOM 495 O GLY A 33 -0.284 -0.170 8.007 1.00 0.08 O ATOM 0 H GLY A 33 -4.006 -1.031 5.940 1.00 0.07 H new ATOM 0 HA2 GLY A 33 -2.172 0.948 6.729 1.00 0.08 H new ATOM 0 HA3 GLY A 33 -3.273 0.103 7.799 1.00 0.08 H new ATOM 499 N THR A 34 -1.412 -2.053 7.946 1.00 0.07 N ATOM 500 CA THR A 34 -0.282 -2.790 8.595 1.00 0.07 C ATOM 501 C THR A 34 0.968 -2.713 7.710 1.00 0.06 C ATOM 502 O THR A 34 2.062 -2.498 8.193 1.00 0.06 O ATOM 503 CB THR A 34 -0.667 -4.254 8.820 1.00 0.09 C ATOM 504 OG1 THR A 34 -1.869 -4.315 9.576 1.00 0.14 O ATOM 505 CG2 THR A 34 0.453 -4.964 9.583 1.00 0.07 C ATOM 0 H THR A 34 -2.231 -2.618 7.722 1.00 0.07 H new ATOM 0 HA THR A 34 -0.069 -2.328 9.559 1.00 0.07 H new ATOM 0 HB THR A 34 -0.817 -4.744 7.858 1.00 0.09 H new ATOM 0 HG1 THR A 34 -2.118 -5.252 9.720 1.00 0.14 H new ATOM 0 HG21 THR A 34 0.179 -6.007 9.744 1.00 0.07 H new ATOM 0 HG22 THR A 34 1.375 -4.916 9.004 1.00 0.07 H new ATOM 0 HG23 THR A 34 0.603 -4.476 10.546 1.00 0.07 H new ATOM 513 N VAL A 35 0.822 -2.863 6.417 1.00 0.06 N ATOM 514 CA VAL A 35 2.017 -2.765 5.526 1.00 0.07 C ATOM 515 C VAL A 35 2.601 -1.357 5.692 1.00 0.05 C ATOM 516 O VAL A 35 3.797 -1.170 5.796 1.00 0.10 O ATOM 517 CB VAL A 35 1.605 -2.982 4.064 1.00 0.11 C ATOM 518 CG1 VAL A 35 2.778 -2.636 3.142 1.00 0.09 C ATOM 519 CG2 VAL A 35 1.200 -4.443 3.845 1.00 0.16 C ATOM 0 H VAL A 35 -0.063 -3.047 5.945 1.00 0.06 H new ATOM 0 HA VAL A 35 2.752 -3.525 5.791 1.00 0.07 H new ATOM 0 HB VAL A 35 0.757 -2.336 3.835 1.00 0.11 H new ATOM 0 HG11 VAL A 35 2.483 -2.791 2.104 1.00 0.09 H new ATOM 0 HG12 VAL A 35 3.060 -1.593 3.287 1.00 0.09 H new ATOM 0 HG13 VAL A 35 3.627 -3.277 3.377 1.00 0.09 H new ATOM 0 HG21 VAL A 35 0.909 -4.588 2.805 1.00 0.16 H new ATOM 0 HG22 VAL A 35 2.043 -5.093 4.080 1.00 0.16 H new ATOM 0 HG23 VAL A 35 0.360 -4.689 4.494 1.00 0.16 H new ATOM 529 N MET A 36 1.745 -0.368 5.728 1.00 0.09 N ATOM 530 CA MET A 36 2.215 1.038 5.898 1.00 0.06 C ATOM 531 C MET A 36 2.969 1.177 7.230 1.00 0.04 C ATOM 532 O MET A 36 4.046 1.736 7.292 1.00 0.08 O ATOM 533 CB MET A 36 1.011 1.990 5.880 1.00 0.05 C ATOM 534 CG MET A 36 0.526 2.203 4.440 1.00 0.14 C ATOM 535 SD MET A 36 -0.659 3.571 4.405 1.00 1.20 S ATOM 536 CE MET A 36 -0.542 3.930 2.635 1.00 0.40 C ATOM 0 H MET A 36 0.734 -0.476 5.646 1.00 0.09 H new ATOM 0 HA MET A 36 2.888 1.294 5.079 1.00 0.06 H new ATOM 0 HB2 MET A 36 0.204 1.579 6.486 1.00 0.05 H new ATOM 0 HB3 MET A 36 1.288 2.946 6.324 1.00 0.05 H new ATOM 0 HG2 MET A 36 1.371 2.422 3.788 1.00 0.14 H new ATOM 0 HG3 MET A 36 0.060 1.293 4.063 1.00 0.14 H new ATOM 0 HE1 MET A 36 -0.168 4.944 2.493 1.00 0.40 H new ATOM 0 HE2 MET A 36 0.141 3.223 2.165 1.00 0.40 H new ATOM 0 HE3 MET A 36 -1.528 3.840 2.180 1.00 0.40 H new ATOM 546 N ARG A 37 2.407 0.653 8.293 1.00 0.09 N ATOM 547 CA ARG A 37 3.077 0.726 9.628 1.00 0.12 C ATOM 548 C ARG A 37 4.434 0.023 9.552 1.00 0.08 C ATOM 549 O ARG A 37 5.417 0.492 10.090 1.00 0.09 O ATOM 550 CB ARG A 37 2.204 0.014 10.666 1.00 0.23 C ATOM 551 CG ARG A 37 0.981 0.879 10.982 1.00 0.27 C ATOM 552 CD ARG A 37 0.107 0.181 12.029 1.00 0.86 C ATOM 553 NE ARG A 37 -0.692 -0.895 11.378 1.00 0.40 N ATOM 554 CZ ARG A 37 -1.265 -1.812 12.109 1.00 0.76 C ATOM 555 NH1 ARG A 37 -1.139 -1.784 13.408 1.00 0.69 N ATOM 556 NH2 ARG A 37 -1.963 -2.758 11.542 1.00 1.54 N ATOM 0 H ARG A 37 1.506 0.175 8.292 1.00 0.09 H new ATOM 0 HA ARG A 37 3.218 1.769 9.912 1.00 0.12 H new ATOM 0 HB2 ARG A 37 1.888 -0.957 10.286 1.00 0.23 H new ATOM 0 HB3 ARG A 37 2.777 -0.170 11.575 1.00 0.23 H new ATOM 0 HG2 ARG A 37 1.299 1.853 11.352 1.00 0.27 H new ATOM 0 HG3 ARG A 37 0.405 1.056 10.074 1.00 0.27 H new ATOM 0 HD2 ARG A 37 0.732 -0.242 12.815 1.00 0.86 H new ATOM 0 HD3 ARG A 37 -0.557 0.904 12.503 1.00 0.86 H new ATOM 0 HE ARG A 37 -0.791 -0.915 10.363 1.00 0.40 H new ATOM 0 HH11 ARG A 37 -0.593 -1.046 13.852 1.00 0.69 H new ATOM 0 HH12 ARG A 37 -1.587 -2.501 13.979 1.00 0.69 H new ATOM 0 HH21 ARG A 37 -2.061 -2.781 10.527 1.00 1.54 H new ATOM 0 HH22 ARG A 37 -2.410 -3.474 12.114 1.00 1.54 H new ATOM 570 N SER A 38 4.506 -1.087 8.865 1.00 0.08 N ATOM 571 CA SER A 38 5.811 -1.795 8.737 1.00 0.10 C ATOM 572 C SER A 38 6.744 -0.944 7.864 1.00 0.10 C ATOM 573 O SER A 38 7.951 -1.059 7.948 1.00 0.13 O ATOM 574 CB SER A 38 5.606 -3.174 8.108 1.00 0.16 C ATOM 575 OG SER A 38 5.250 -3.018 6.740 1.00 0.13 O ATOM 0 H SER A 38 3.721 -1.531 8.389 1.00 0.08 H new ATOM 0 HA SER A 38 6.254 -1.936 9.723 1.00 0.10 H new ATOM 0 HB2 SER A 38 6.518 -3.765 8.193 1.00 0.16 H new ATOM 0 HB3 SER A 38 4.824 -3.716 8.640 1.00 0.16 H new ATOM 0 HG SER A 38 4.708 -2.209 6.633 1.00 0.13 H new ATOM 581 N LEU A 39 6.207 -0.098 7.021 1.00 0.10 N ATOM 582 CA LEU A 39 7.084 0.740 6.147 1.00 0.16 C ATOM 583 C LEU A 39 7.541 2.004 6.892 1.00 0.14 C ATOM 584 O LEU A 39 8.383 2.740 6.415 1.00 0.18 O ATOM 585 CB LEU A 39 6.317 1.143 4.884 1.00 0.22 C ATOM 586 CG LEU A 39 6.181 -0.066 3.946 1.00 0.26 C ATOM 587 CD1 LEU A 39 5.232 0.300 2.803 1.00 0.27 C ATOM 588 CD2 LEU A 39 7.559 -0.470 3.371 1.00 0.25 C ATOM 0 H LEU A 39 5.205 0.048 6.900 1.00 0.10 H new ATOM 0 HA LEU A 39 7.963 0.156 5.875 1.00 0.16 H new ATOM 0 HB2 LEU A 39 5.330 1.519 5.152 1.00 0.22 H new ATOM 0 HB3 LEU A 39 6.839 1.953 4.374 1.00 0.22 H new ATOM 0 HG LEU A 39 5.784 -0.912 4.508 1.00 0.26 H new ATOM 0 HD11 LEU A 39 5.128 -0.551 2.130 1.00 0.27 H new ATOM 0 HD12 LEU A 39 4.256 0.562 3.211 1.00 0.27 H new ATOM 0 HD13 LEU A 39 5.636 1.150 2.253 1.00 0.27 H new ATOM 0 HD21 LEU A 39 7.440 -1.328 2.709 1.00 0.25 H new ATOM 0 HD22 LEU A 39 7.978 0.365 2.810 1.00 0.25 H new ATOM 0 HD23 LEU A 39 8.231 -0.732 4.188 1.00 0.25 H new ATOM 600 N GLY A 40 7.017 2.253 8.070 1.00 0.09 N ATOM 601 CA GLY A 40 7.447 3.459 8.858 1.00 0.12 C ATOM 602 C GLY A 40 6.460 4.620 8.686 1.00 0.20 C ATOM 603 O GLY A 40 6.858 5.769 8.673 1.00 0.23 O ATOM 0 H GLY A 40 6.309 1.674 8.522 1.00 0.09 H new ATOM 0 HA2 GLY A 40 7.524 3.198 9.913 1.00 0.12 H new ATOM 0 HA3 GLY A 40 8.440 3.772 8.534 1.00 0.12 H new ATOM 607 N GLN A 41 5.185 4.345 8.569 1.00 0.21 N ATOM 608 CA GLN A 41 4.178 5.446 8.417 1.00 0.28 C ATOM 609 C GLN A 41 3.089 5.262 9.475 1.00 0.28 C ATOM 610 O GLN A 41 2.830 4.160 9.919 1.00 0.24 O ATOM 611 CB GLN A 41 3.544 5.365 7.026 1.00 0.29 C ATOM 612 CG GLN A 41 4.631 5.515 5.961 1.00 0.36 C ATOM 613 CD GLN A 41 5.154 6.952 5.964 1.00 0.90 C ATOM 614 OE1 GLN A 41 4.393 7.888 6.106 1.00 1.65 O ATOM 615 NE2 GLN A 41 6.432 7.168 5.814 1.00 1.77 N ATOM 0 H GLN A 41 4.794 3.403 8.572 1.00 0.21 H new ATOM 0 HA GLN A 41 4.663 6.414 8.540 1.00 0.28 H new ATOM 0 HB2 GLN A 41 3.029 4.412 6.904 1.00 0.29 H new ATOM 0 HB3 GLN A 41 2.795 6.149 6.910 1.00 0.29 H new ATOM 0 HG2 GLN A 41 5.447 4.820 6.158 1.00 0.36 H new ATOM 0 HG3 GLN A 41 4.230 5.265 4.979 1.00 0.36 H new ATOM 0 HE21 GLN A 41 7.071 6.382 5.695 1.00 1.77 H new ATOM 0 HE22 GLN A 41 6.792 8.123 5.816 1.00 1.77 H new ATOM 624 N ASN A 42 2.458 6.329 9.896 1.00 0.33 N ATOM 625 CA ASN A 42 1.389 6.249 10.940 1.00 0.33 C ATOM 626 C ASN A 42 0.151 6.994 10.429 1.00 0.35 C ATOM 627 O ASN A 42 -0.059 8.147 10.750 1.00 0.40 O ATOM 628 CB ASN A 42 1.889 6.930 12.216 1.00 0.39 C ATOM 629 CG ASN A 42 0.923 6.635 13.364 1.00 0.41 C ATOM 630 OD1 ASN A 42 0.417 7.541 13.996 1.00 1.24 O ATOM 631 ND2 ASN A 42 0.643 5.396 13.662 1.00 1.44 N ATOM 0 H ASN A 42 2.642 7.272 9.553 1.00 0.33 H new ATOM 0 HA ASN A 42 1.142 5.208 11.149 1.00 0.33 H new ATOM 0 HB2 ASN A 42 2.887 6.571 12.465 1.00 0.39 H new ATOM 0 HB3 ASN A 42 1.967 8.006 12.060 1.00 0.39 H new ATOM 0 HD21 ASN A 42 -0.001 5.188 14.425 1.00 1.44 H new ATOM 0 HD22 ASN A 42 1.068 4.635 13.131 1.00 1.44 H new ATOM 638 N PRO A 43 -0.649 6.353 9.617 1.00 0.32 N ATOM 639 CA PRO A 43 -1.870 6.975 9.027 1.00 0.34 C ATOM 640 C PRO A 43 -3.089 6.938 9.964 1.00 0.33 C ATOM 641 O PRO A 43 -3.233 6.034 10.762 1.00 0.34 O ATOM 642 CB PRO A 43 -2.112 6.104 7.786 1.00 0.33 C ATOM 643 CG PRO A 43 -1.644 4.742 8.184 1.00 0.28 C ATOM 644 CD PRO A 43 -0.484 4.955 9.166 1.00 0.27 C ATOM 0 HA PRO A 43 -1.731 8.036 8.820 1.00 0.34 H new ATOM 0 HB2 PRO A 43 -3.166 6.095 7.507 1.00 0.33 H new ATOM 0 HB3 PRO A 43 -1.558 6.478 6.925 1.00 0.33 H new ATOM 0 HG2 PRO A 43 -2.449 4.175 8.651 1.00 0.28 H new ATOM 0 HG3 PRO A 43 -1.317 4.173 7.313 1.00 0.28 H new ATOM 0 HD2 PRO A 43 -0.535 4.257 10.002 1.00 0.27 H new ATOM 0 HD3 PRO A 43 0.481 4.803 8.683 1.00 0.27 H new ATOM 652 N THR A 44 -3.981 7.896 9.865 1.00 0.33 N ATOM 653 CA THR A 44 -5.184 7.869 10.748 1.00 0.32 C ATOM 654 C THR A 44 -6.229 6.947 10.127 1.00 0.32 C ATOM 655 O THR A 44 -6.087 6.500 9.007 1.00 0.33 O ATOM 656 CB THR A 44 -5.782 9.267 10.903 1.00 0.31 C ATOM 657 OG1 THR A 44 -6.015 9.823 9.622 1.00 0.31 O ATOM 658 CG2 THR A 44 -4.818 10.159 11.687 1.00 0.38 C ATOM 0 H THR A 44 -3.927 8.684 9.219 1.00 0.33 H new ATOM 0 HA THR A 44 -4.887 7.508 11.733 1.00 0.32 H new ATOM 0 HB THR A 44 -6.725 9.200 11.446 1.00 0.31 H new ATOM 0 HG1 THR A 44 -6.400 10.719 9.719 1.00 0.31 H new ATOM 0 HG21 THR A 44 -5.249 11.154 11.795 1.00 0.38 H new ATOM 0 HG22 THR A 44 -4.646 9.729 12.674 1.00 0.38 H new ATOM 0 HG23 THR A 44 -3.871 10.230 11.152 1.00 0.38 H new ATOM 666 N GLU A 45 -7.271 6.642 10.847 1.00 0.32 N ATOM 667 CA GLU A 45 -8.309 5.730 10.297 1.00 0.32 C ATOM 668 C GLU A 45 -9.004 6.378 9.094 1.00 0.25 C ATOM 669 O GLU A 45 -9.219 5.743 8.081 1.00 0.23 O ATOM 670 CB GLU A 45 -9.336 5.424 11.383 1.00 0.35 C ATOM 671 CG GLU A 45 -8.731 4.462 12.406 1.00 0.51 C ATOM 672 CD GLU A 45 -8.569 3.079 11.773 1.00 0.44 C ATOM 673 OE1 GLU A 45 -9.243 2.816 10.791 1.00 1.56 O ATOM 674 OE2 GLU A 45 -7.772 2.306 12.281 1.00 1.20 O ATOM 0 H GLU A 45 -7.448 6.985 11.791 1.00 0.32 H new ATOM 0 HA GLU A 45 -7.835 4.805 9.968 1.00 0.32 H new ATOM 0 HB2 GLU A 45 -9.646 6.346 11.875 1.00 0.35 H new ATOM 0 HB3 GLU A 45 -10.229 4.984 10.939 1.00 0.35 H new ATOM 0 HG2 GLU A 45 -7.764 4.835 12.744 1.00 0.51 H new ATOM 0 HG3 GLU A 45 -9.373 4.398 13.285 1.00 0.51 H new ATOM 681 N ALA A 46 -9.362 7.629 9.189 1.00 0.22 N ATOM 682 CA ALA A 46 -10.045 8.292 8.039 1.00 0.16 C ATOM 683 C ALA A 46 -9.111 8.307 6.825 1.00 0.18 C ATOM 684 O ALA A 46 -9.539 8.101 5.707 1.00 0.17 O ATOM 685 CB ALA A 46 -10.423 9.727 8.424 1.00 0.12 C ATOM 0 H ALA A 46 -9.213 8.219 10.008 1.00 0.22 H new ATOM 0 HA ALA A 46 -10.950 7.739 7.787 1.00 0.16 H new ATOM 0 HB1 ALA A 46 -10.922 10.210 7.584 1.00 0.12 H new ATOM 0 HB2 ALA A 46 -11.095 9.709 9.282 1.00 0.12 H new ATOM 0 HB3 ALA A 46 -9.522 10.284 8.680 1.00 0.12 H new ATOM 691 N GLU A 47 -7.837 8.528 7.027 1.00 0.22 N ATOM 692 CA GLU A 47 -6.900 8.528 5.866 1.00 0.27 C ATOM 693 C GLU A 47 -6.837 7.113 5.302 1.00 0.29 C ATOM 694 O GLU A 47 -6.765 6.915 4.108 1.00 0.32 O ATOM 695 CB GLU A 47 -5.501 8.946 6.303 1.00 0.32 C ATOM 696 CG GLU A 47 -5.492 10.430 6.666 1.00 0.32 C ATOM 697 CD GLU A 47 -4.087 10.835 7.112 1.00 0.59 C ATOM 698 OE1 GLU A 47 -3.266 9.950 7.288 1.00 0.97 O ATOM 699 OE2 GLU A 47 -3.856 12.022 7.271 1.00 0.46 O ATOM 0 H GLU A 47 -7.410 8.707 7.936 1.00 0.22 H new ATOM 0 HA GLU A 47 -7.257 9.234 5.116 1.00 0.27 H new ATOM 0 HB2 GLU A 47 -5.185 8.351 7.160 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -4.788 8.754 5.502 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -5.799 11.028 5.808 1.00 0.32 H new ATOM 0 HG3 GLU A 47 -6.209 10.625 7.463 1.00 0.32 H new ATOM 706 N LEU A 48 -6.879 6.119 6.151 1.00 0.30 N ATOM 707 CA LEU A 48 -6.835 4.719 5.654 1.00 0.33 C ATOM 708 C LEU A 48 -8.113 4.428 4.870 1.00 0.29 C ATOM 709 O LEU A 48 -8.078 3.825 3.822 1.00 0.31 O ATOM 710 CB LEU A 48 -6.731 3.732 6.827 1.00 0.36 C ATOM 711 CG LEU A 48 -5.329 3.771 7.457 1.00 0.35 C ATOM 712 CD1 LEU A 48 -5.333 2.925 8.737 1.00 0.49 C ATOM 713 CD2 LEU A 48 -4.280 3.210 6.475 1.00 0.65 C ATOM 0 H LEU A 48 -6.942 6.220 7.164 1.00 0.30 H new ATOM 0 HA LEU A 48 -5.961 4.600 5.014 1.00 0.33 H new ATOM 0 HB2 LEU A 48 -7.479 3.977 7.581 1.00 0.36 H new ATOM 0 HB3 LEU A 48 -6.949 2.723 6.478 1.00 0.36 H new ATOM 0 HG LEU A 48 -5.071 4.804 7.690 1.00 0.35 H new ATOM 0 HD11 LEU A 48 -4.342 2.947 9.191 1.00 0.49 H new ATOM 0 HD12 LEU A 48 -6.062 3.330 9.438 1.00 0.49 H new ATOM 0 HD13 LEU A 48 -5.597 1.896 8.492 1.00 0.49 H new ATOM 0 HD21 LEU A 48 -3.293 3.245 6.937 1.00 0.65 H new ATOM 0 HD22 LEU A 48 -4.528 2.178 6.228 1.00 0.65 H new ATOM 0 HD23 LEU A 48 -4.276 3.810 5.565 1.00 0.65 H new ATOM 725 N GLN A 49 -9.242 4.837 5.369 1.00 0.24 N ATOM 726 CA GLN A 49 -10.506 4.547 4.641 1.00 0.18 C ATOM 727 C GLN A 49 -10.508 5.245 3.282 1.00 0.18 C ATOM 728 O GLN A 49 -11.005 4.722 2.305 1.00 0.16 O ATOM 729 CB GLN A 49 -11.709 5.024 5.465 1.00 0.15 C ATOM 730 CG GLN A 49 -11.949 4.075 6.642 1.00 0.17 C ATOM 731 CD GLN A 49 -13.245 4.466 7.355 1.00 1.05 C ATOM 732 OE1 GLN A 49 -13.718 5.576 7.212 1.00 1.40 O ATOM 733 NE2 GLN A 49 -13.842 3.597 8.123 1.00 2.25 N ATOM 0 H GLN A 49 -9.346 5.355 6.241 1.00 0.24 H new ATOM 0 HA GLN A 49 -10.578 3.470 4.488 1.00 0.18 H new ATOM 0 HB2 GLN A 49 -11.530 6.034 5.833 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -12.597 5.067 4.835 1.00 0.15 H new ATOM 0 HG2 GLN A 49 -12.013 3.046 6.287 1.00 0.17 H new ATOM 0 HG3 GLN A 49 -11.111 4.121 7.337 1.00 0.17 H new ATOM 0 HE21 GLN A 49 -13.445 2.665 8.243 1.00 2.25 H new ATOM 0 HE22 GLN A 49 -14.706 3.849 8.603 1.00 2.25 H new ATOM 742 N ASP A 50 -9.963 6.432 3.210 1.00 0.21 N ATOM 743 CA ASP A 50 -9.950 7.159 1.916 1.00 0.23 C ATOM 744 C ASP A 50 -9.017 6.418 0.962 1.00 0.26 C ATOM 745 O ASP A 50 -9.330 6.209 -0.192 1.00 0.27 O ATOM 746 CB ASP A 50 -9.465 8.595 2.124 1.00 0.25 C ATOM 747 CG ASP A 50 -10.530 9.387 2.884 1.00 0.95 C ATOM 748 OD1 ASP A 50 -11.677 8.972 2.863 1.00 1.54 O ATOM 749 OD2 ASP A 50 -10.181 10.397 3.473 1.00 1.73 O ATOM 0 H ASP A 50 -9.529 6.924 3.991 1.00 0.21 H new ATOM 0 HA ASP A 50 -10.956 7.199 1.497 1.00 0.23 H new ATOM 0 HB2 ASP A 50 -8.528 8.597 2.681 1.00 0.25 H new ATOM 0 HB3 ASP A 50 -9.264 9.066 1.162 1.00 0.25 H new ATOM 754 N MET A 51 -7.883 6.000 1.438 1.00 0.31 N ATOM 755 CA MET A 51 -6.950 5.256 0.556 1.00 0.34 C ATOM 756 C MET A 51 -7.642 3.980 0.096 1.00 0.30 C ATOM 757 O MET A 51 -7.425 3.502 -1.000 1.00 0.33 O ATOM 758 CB MET A 51 -5.683 4.907 1.333 1.00 0.40 C ATOM 759 CG MET A 51 -4.928 6.193 1.662 1.00 0.42 C ATOM 760 SD MET A 51 -3.616 5.832 2.853 1.00 0.53 S ATOM 761 CE MET A 51 -2.967 7.514 2.994 1.00 0.48 C ATOM 0 H MET A 51 -7.562 6.140 2.396 1.00 0.31 H new ATOM 0 HA MET A 51 -6.677 5.864 -0.306 1.00 0.34 H new ATOM 0 HB2 MET A 51 -5.939 4.376 2.250 1.00 0.40 H new ATOM 0 HB3 MET A 51 -5.052 4.241 0.744 1.00 0.40 H new ATOM 0 HG2 MET A 51 -4.502 6.620 0.754 1.00 0.42 H new ATOM 0 HG3 MET A 51 -5.613 6.935 2.073 1.00 0.42 H new ATOM 0 HE1 MET A 51 -1.937 7.538 2.638 1.00 0.48 H new ATOM 0 HE2 MET A 51 -3.574 8.190 2.392 1.00 0.48 H new ATOM 0 HE3 MET A 51 -2.998 7.830 4.037 1.00 0.48 H new ATOM 771 N ILE A 52 -8.461 3.412 0.936 1.00 0.24 N ATOM 772 CA ILE A 52 -9.152 2.152 0.565 1.00 0.20 C ATOM 773 C ILE A 52 -10.231 2.424 -0.484 1.00 0.14 C ATOM 774 O ILE A 52 -10.379 1.692 -1.443 1.00 0.14 O ATOM 775 CB ILE A 52 -9.777 1.526 1.819 1.00 0.20 C ATOM 776 CG1 ILE A 52 -8.663 1.045 2.762 1.00 0.28 C ATOM 777 CG2 ILE A 52 -10.656 0.335 1.423 1.00 0.19 C ATOM 778 CD1 ILE A 52 -9.214 0.812 4.175 1.00 0.34 C ATOM 0 H ILE A 52 -8.681 3.769 1.866 1.00 0.24 H new ATOM 0 HA ILE A 52 -8.427 1.459 0.138 1.00 0.20 H new ATOM 0 HB ILE A 52 -10.389 2.273 2.325 1.00 0.20 H new ATOM 0 HG12 ILE A 52 -8.228 0.122 2.379 1.00 0.28 H new ATOM 0 HG13 ILE A 52 -7.863 1.784 2.795 1.00 0.28 H new ATOM 0 HG21 ILE A 52 -11.097 -0.105 2.317 1.00 0.19 H new ATOM 0 HG22 ILE A 52 -11.449 0.674 0.757 1.00 0.19 H new ATOM 0 HG23 ILE A 52 -10.048 -0.412 0.913 1.00 0.19 H new ATOM 0 HD11 ILE A 52 -8.410 0.472 4.828 1.00 0.34 H new ATOM 0 HD12 ILE A 52 -9.627 1.743 4.563 1.00 0.34 H new ATOM 0 HD13 ILE A 52 -9.997 0.055 4.140 1.00 0.34 H new ATOM 790 N ASN A 53 -10.987 3.458 -0.306 1.00 0.12 N ATOM 791 CA ASN A 53 -12.058 3.778 -1.272 1.00 0.18 C ATOM 792 C ASN A 53 -11.471 4.168 -2.636 1.00 0.24 C ATOM 793 O ASN A 53 -12.119 4.011 -3.653 1.00 0.28 O ATOM 794 CB ASN A 53 -12.854 4.958 -0.698 1.00 0.27 C ATOM 795 CG ASN A 53 -13.833 4.458 0.370 1.00 0.69 C ATOM 796 OD1 ASN A 53 -14.407 3.396 0.236 1.00 1.12 O ATOM 797 ND2 ASN A 53 -14.048 5.186 1.433 1.00 1.92 N ATOM 0 H ASN A 53 -10.908 4.105 0.479 1.00 0.12 H new ATOM 0 HA ASN A 53 -12.695 2.906 -1.423 1.00 0.18 H new ATOM 0 HB2 ASN A 53 -12.173 5.691 -0.265 1.00 0.27 H new ATOM 0 HB3 ASN A 53 -13.399 5.462 -1.496 1.00 0.27 H new ATOM 0 HD21 ASN A 53 -14.698 4.863 2.150 1.00 1.92 H new ATOM 0 HD22 ASN A 53 -13.566 6.078 1.546 1.00 1.92 H new ATOM 804 N GLU A 54 -10.271 4.691 -2.685 1.00 0.26 N ATOM 805 CA GLU A 54 -9.696 5.098 -3.996 1.00 0.34 C ATOM 806 C GLU A 54 -9.176 3.866 -4.750 1.00 0.36 C ATOM 807 O GLU A 54 -9.429 3.700 -5.927 1.00 0.37 O ATOM 808 CB GLU A 54 -8.542 6.083 -3.754 1.00 0.39 C ATOM 809 CG GLU A 54 -9.091 7.500 -3.543 1.00 0.62 C ATOM 810 CD GLU A 54 -10.199 7.488 -2.487 1.00 0.57 C ATOM 811 OE1 GLU A 54 -11.235 6.898 -2.748 1.00 1.81 O ATOM 812 OE2 GLU A 54 -9.997 8.082 -1.441 1.00 0.90 O ATOM 0 H GLU A 54 -9.670 4.852 -1.876 1.00 0.26 H new ATOM 0 HA GLU A 54 -10.469 5.576 -4.597 1.00 0.34 H new ATOM 0 HB2 GLU A 54 -7.967 5.774 -2.881 1.00 0.39 H new ATOM 0 HB3 GLU A 54 -7.860 6.072 -4.604 1.00 0.39 H new ATOM 0 HG2 GLU A 54 -8.287 8.166 -3.229 1.00 0.62 H new ATOM 0 HG3 GLU A 54 -9.480 7.891 -4.483 1.00 0.62 H new ATOM 819 N VAL A 55 -8.419 3.029 -4.101 1.00 0.37 N ATOM 820 CA VAL A 55 -7.839 1.838 -4.790 1.00 0.40 C ATOM 821 C VAL A 55 -8.900 0.804 -5.124 1.00 0.32 C ATOM 822 O VAL A 55 -8.711 -0.002 -6.014 1.00 0.32 O ATOM 823 CB VAL A 55 -6.783 1.211 -3.888 1.00 0.40 C ATOM 824 CG1 VAL A 55 -6.095 0.064 -4.626 1.00 0.45 C ATOM 825 CG2 VAL A 55 -5.752 2.273 -3.508 1.00 0.54 C ATOM 0 H VAL A 55 -8.173 3.117 -3.115 1.00 0.37 H new ATOM 0 HA VAL A 55 -7.395 2.170 -5.729 1.00 0.40 H new ATOM 0 HB VAL A 55 -7.255 0.823 -2.985 1.00 0.40 H new ATOM 0 HG11 VAL A 55 -5.340 -0.384 -3.980 1.00 0.45 H new ATOM 0 HG12 VAL A 55 -6.834 -0.690 -4.896 1.00 0.45 H new ATOM 0 HG13 VAL A 55 -5.619 0.446 -5.529 1.00 0.45 H new ATOM 0 HG21 VAL A 55 -4.994 1.830 -2.862 1.00 0.54 H new ATOM 0 HG22 VAL A 55 -5.279 2.660 -4.410 1.00 0.54 H new ATOM 0 HG23 VAL A 55 -6.247 3.088 -2.980 1.00 0.54 H new ATOM 835 N ASP A 56 -9.999 0.806 -4.437 1.00 0.25 N ATOM 836 CA ASP A 56 -11.078 -0.202 -4.724 1.00 0.22 C ATOM 837 C ASP A 56 -12.288 0.502 -5.322 1.00 0.36 C ATOM 838 O ASP A 56 -13.413 0.325 -4.895 1.00 0.45 O ATOM 839 CB ASP A 56 -11.475 -0.917 -3.434 1.00 0.16 C ATOM 840 CG ASP A 56 -12.610 -1.885 -3.737 1.00 0.25 C ATOM 841 OD1 ASP A 56 -12.923 -2.036 -4.903 1.00 0.95 O ATOM 842 OD2 ASP A 56 -13.144 -2.459 -2.802 1.00 0.96 O ATOM 0 H ASP A 56 -10.209 1.460 -3.683 1.00 0.25 H new ATOM 0 HA ASP A 56 -10.704 -0.938 -5.436 1.00 0.22 H new ATOM 0 HB2 ASP A 56 -10.621 -1.455 -3.023 1.00 0.16 H new ATOM 0 HB3 ASP A 56 -11.788 -0.192 -2.682 1.00 0.16 H new ATOM 847 N ALA A 57 -12.048 1.319 -6.298 1.00 0.43 N ATOM 848 CA ALA A 57 -13.145 2.078 -6.942 1.00 0.56 C ATOM 849 C ALA A 57 -14.229 1.162 -7.514 1.00 0.50 C ATOM 850 O ALA A 57 -15.407 1.459 -7.480 1.00 0.63 O ATOM 851 CB ALA A 57 -12.561 2.915 -8.080 1.00 0.67 C ATOM 0 H ALA A 57 -11.121 1.497 -6.685 1.00 0.43 H new ATOM 0 HA ALA A 57 -13.607 2.706 -6.180 1.00 0.56 H new ATOM 0 HB1 ALA A 57 -13.359 3.479 -8.563 1.00 0.67 H new ATOM 0 HB2 ALA A 57 -11.819 3.606 -7.680 1.00 0.67 H new ATOM 0 HB3 ALA A 57 -12.088 2.258 -8.810 1.00 0.67 H new ATOM 857 N ASP A 58 -13.811 0.046 -8.051 1.00 0.31 N ATOM 858 CA ASP A 58 -14.783 -0.913 -8.647 1.00 0.25 C ATOM 859 C ASP A 58 -15.455 -1.741 -7.542 1.00 0.34 C ATOM 860 O ASP A 58 -16.545 -2.254 -7.698 1.00 0.43 O ATOM 861 CB ASP A 58 -14.054 -1.844 -9.618 1.00 0.13 C ATOM 862 CG ASP A 58 -15.078 -2.648 -10.421 1.00 0.28 C ATOM 863 OD1 ASP A 58 -15.848 -2.036 -11.143 1.00 1.11 O ATOM 864 OD2 ASP A 58 -15.075 -3.862 -10.301 1.00 1.04 O ATOM 0 H ASP A 58 -12.834 -0.242 -8.102 1.00 0.31 H new ATOM 0 HA ASP A 58 -15.549 -0.354 -9.185 1.00 0.25 H new ATOM 0 HB2 ASP A 58 -13.423 -1.263 -10.291 1.00 0.13 H new ATOM 0 HB3 ASP A 58 -13.397 -2.518 -9.068 1.00 0.13 H new ATOM 869 N GLY A 59 -14.824 -1.782 -6.390 1.00 0.39 N ATOM 870 CA GLY A 59 -15.451 -2.481 -5.212 1.00 0.59 C ATOM 871 C GLY A 59 -14.907 -3.899 -4.935 1.00 0.63 C ATOM 872 O GLY A 59 -15.648 -4.716 -4.427 1.00 0.80 O ATOM 0 H GLY A 59 -13.910 -1.366 -6.212 1.00 0.39 H new ATOM 0 HA2 GLY A 59 -15.301 -1.869 -4.322 1.00 0.59 H new ATOM 0 HA3 GLY A 59 -16.527 -2.546 -5.376 1.00 0.59 H new ATOM 876 N ASN A 60 -13.674 -4.246 -5.267 1.00 0.57 N ATOM 877 CA ASN A 60 -13.215 -5.668 -5.008 1.00 0.74 C ATOM 878 C ASN A 60 -12.383 -5.774 -3.717 1.00 0.74 C ATOM 879 O ASN A 60 -11.908 -6.836 -3.377 1.00 1.36 O ATOM 880 CB ASN A 60 -12.399 -6.179 -6.199 1.00 0.76 C ATOM 881 CG ASN A 60 -11.452 -5.078 -6.679 1.00 2.30 C ATOM 882 OD1 ASN A 60 -11.398 -4.011 -6.100 1.00 3.32 O ATOM 883 ND2 ASN A 60 -10.697 -5.292 -7.722 1.00 3.48 N ATOM 0 H ASN A 60 -12.982 -3.629 -5.693 1.00 0.57 H new ATOM 0 HA ASN A 60 -14.104 -6.286 -4.881 1.00 0.74 H new ATOM 0 HB2 ASN A 60 -11.830 -7.063 -5.911 1.00 0.76 H new ATOM 0 HB3 ASN A 60 -13.065 -6.479 -7.008 1.00 0.76 H new ATOM 0 HD21 ASN A 60 -10.062 -4.564 -8.050 1.00 3.48 H new ATOM 0 HD22 ASN A 60 -10.742 -6.187 -8.209 1.00 3.48 H new ATOM 890 N GLY A 61 -12.248 -4.717 -2.968 1.00 0.12 N ATOM 891 CA GLY A 61 -11.500 -4.790 -1.671 1.00 0.13 C ATOM 892 C GLY A 61 -10.131 -5.486 -1.793 1.00 0.17 C ATOM 893 O GLY A 61 -9.718 -6.174 -0.880 1.00 0.28 O ATOM 0 H GLY A 61 -12.624 -3.797 -3.195 1.00 0.12 H new ATOM 0 HA2 GLY A 61 -11.353 -3.780 -1.287 1.00 0.13 H new ATOM 0 HA3 GLY A 61 -12.107 -5.324 -0.940 1.00 0.13 H new ATOM 897 N THR A 62 -9.402 -5.311 -2.870 1.00 0.13 N ATOM 898 CA THR A 62 -8.048 -5.964 -2.975 1.00 0.15 C ATOM 899 C THR A 62 -7.055 -4.994 -3.632 1.00 0.13 C ATOM 900 O THR A 62 -7.424 -4.175 -4.450 1.00 0.13 O ATOM 901 CB THR A 62 -8.129 -7.249 -3.803 1.00 0.21 C ATOM 902 OG1 THR A 62 -8.725 -6.970 -5.062 1.00 0.26 O ATOM 903 CG2 THR A 62 -8.956 -8.299 -3.058 1.00 0.42 C ATOM 0 H THR A 62 -9.678 -4.751 -3.676 1.00 0.13 H new ATOM 0 HA THR A 62 -7.707 -6.216 -1.971 1.00 0.15 H new ATOM 0 HB THR A 62 -7.123 -7.637 -3.960 1.00 0.21 H new ATOM 0 HG1 THR A 62 -8.774 -7.794 -5.590 1.00 0.26 H new ATOM 0 HG21 THR A 62 -9.009 -9.210 -3.654 1.00 0.42 H new ATOM 0 HG22 THR A 62 -8.486 -8.519 -2.099 1.00 0.42 H new ATOM 0 HG23 THR A 62 -9.963 -7.917 -2.890 1.00 0.42 H new ATOM 911 N ILE A 63 -5.794 -5.076 -3.261 1.00 0.11 N ATOM 912 CA ILE A 63 -4.752 -4.157 -3.836 1.00 0.10 C ATOM 913 C ILE A 63 -3.608 -4.979 -4.424 1.00 0.10 C ATOM 914 O ILE A 63 -3.067 -5.858 -3.784 1.00 0.10 O ATOM 915 CB ILE A 63 -4.176 -3.273 -2.723 1.00 0.10 C ATOM 916 CG1 ILE A 63 -5.319 -2.587 -1.964 1.00 0.10 C ATOM 917 CG2 ILE A 63 -3.220 -2.219 -3.313 1.00 0.11 C ATOM 918 CD1 ILE A 63 -4.769 -1.895 -0.714 1.00 0.12 C ATOM 0 H ILE A 63 -5.440 -5.746 -2.579 1.00 0.11 H new ATOM 0 HA ILE A 63 -5.214 -3.544 -4.609 1.00 0.10 H new ATOM 0 HB ILE A 63 -3.612 -3.899 -2.031 1.00 0.10 H new ATOM 0 HG12 ILE A 63 -5.810 -1.858 -2.609 1.00 0.10 H new ATOM 0 HG13 ILE A 63 -6.073 -3.322 -1.682 1.00 0.10 H new ATOM 0 HG21 ILE A 63 -2.820 -1.600 -2.510 1.00 0.11 H new ATOM 0 HG22 ILE A 63 -2.400 -2.719 -3.828 1.00 0.11 H new ATOM 0 HG23 ILE A 63 -3.762 -1.591 -4.019 1.00 0.11 H new ATOM 0 HD11 ILE A 63 -5.585 -1.409 -0.178 1.00 0.12 H new ATOM 0 HD12 ILE A 63 -4.299 -2.635 -0.066 1.00 0.12 H new ATOM 0 HD13 ILE A 63 -4.031 -1.148 -1.007 1.00 0.12 H new ATOM 930 N ASP A 64 -3.215 -4.667 -5.635 1.00 0.09 N ATOM 931 CA ASP A 64 -2.076 -5.389 -6.278 1.00 0.09 C ATOM 932 C ASP A 64 -0.824 -4.514 -6.133 1.00 0.09 C ATOM 933 O ASP A 64 -0.907 -3.362 -5.753 1.00 0.11 O ATOM 934 CB ASP A 64 -2.390 -5.657 -7.757 1.00 0.11 C ATOM 935 CG ASP A 64 -2.593 -4.330 -8.492 1.00 0.16 C ATOM 936 OD1 ASP A 64 -2.310 -3.299 -7.906 1.00 0.11 O ATOM 937 OD2 ASP A 64 -3.027 -4.369 -9.632 1.00 0.37 O ATOM 0 H ASP A 64 -3.639 -3.938 -6.209 1.00 0.09 H new ATOM 0 HA ASP A 64 -1.911 -6.353 -5.797 1.00 0.09 H new ATOM 0 HB2 ASP A 64 -1.575 -6.216 -8.216 1.00 0.11 H new ATOM 0 HB3 ASP A 64 -3.286 -6.272 -7.843 1.00 0.11 H new ATOM 942 N PHE A 65 0.337 -5.061 -6.373 1.00 0.07 N ATOM 943 CA PHE A 65 1.593 -4.270 -6.183 1.00 0.07 C ATOM 944 C PHE A 65 1.609 -2.934 -6.966 1.00 0.10 C ATOM 945 O PHE A 65 1.901 -1.910 -6.381 1.00 0.12 O ATOM 946 CB PHE A 65 2.822 -5.124 -6.539 1.00 0.06 C ATOM 947 CG PHE A 65 4.101 -4.383 -6.182 1.00 0.05 C ATOM 948 CD1 PHE A 65 4.365 -4.008 -4.850 1.00 1.89 C ATOM 949 CD2 PHE A 65 5.032 -4.077 -7.186 1.00 1.80 C ATOM 950 CE1 PHE A 65 5.552 -3.334 -4.536 1.00 1.87 C ATOM 951 CE2 PHE A 65 6.215 -3.405 -6.866 1.00 1.81 C ATOM 952 CZ PHE A 65 6.476 -3.034 -5.543 1.00 0.04 C ATOM 0 H PHE A 65 0.473 -6.020 -6.692 1.00 0.07 H new ATOM 0 HA PHE A 65 1.630 -4.000 -5.128 1.00 0.07 H new ATOM 0 HB2 PHE A 65 2.782 -6.073 -6.003 1.00 0.06 H new ATOM 0 HB3 PHE A 65 2.814 -5.358 -7.603 1.00 0.06 H new ATOM 0 HD1 PHE A 65 3.653 -4.240 -4.072 1.00 1.89 H new ATOM 0 HD2 PHE A 65 4.834 -4.361 -8.209 1.00 1.80 H new ATOM 0 HE1 PHE A 65 5.754 -3.045 -3.515 1.00 1.87 H new ATOM 0 HE2 PHE A 65 6.929 -3.172 -7.642 1.00 1.81 H new ATOM 0 HZ PHE A 65 7.391 -2.516 -5.298 1.00 0.04 H new ATOM 962 N PRO A 66 1.330 -2.897 -8.256 1.00 0.13 N ATOM 963 CA PRO A 66 1.367 -1.603 -9.021 1.00 0.16 C ATOM 964 C PRO A 66 0.396 -0.558 -8.452 1.00 0.17 C ATOM 965 O PRO A 66 0.728 0.606 -8.350 1.00 0.22 O ATOM 966 CB PRO A 66 0.976 -2.008 -10.457 1.00 0.18 C ATOM 967 CG PRO A 66 0.275 -3.321 -10.309 1.00 0.16 C ATOM 968 CD PRO A 66 0.951 -4.022 -9.135 1.00 0.14 C ATOM 0 HA PRO A 66 2.346 -1.127 -8.965 1.00 0.16 H new ATOM 0 HB2 PRO A 66 0.326 -1.262 -10.915 1.00 0.18 H new ATOM 0 HB3 PRO A 66 1.855 -2.099 -11.095 1.00 0.18 H new ATOM 0 HG2 PRO A 66 -0.789 -3.177 -10.119 1.00 0.16 H new ATOM 0 HG3 PRO A 66 0.359 -3.914 -11.220 1.00 0.16 H new ATOM 0 HD2 PRO A 66 0.275 -4.716 -8.635 1.00 0.14 H new ATOM 0 HD3 PRO A 66 1.820 -4.597 -9.454 1.00 0.14 H new ATOM 976 N GLU A 67 -0.784 -0.954 -8.041 1.00 0.15 N ATOM 977 CA GLU A 67 -1.709 0.051 -7.447 1.00 0.16 C ATOM 978 C GLU A 67 -1.074 0.529 -6.138 1.00 0.15 C ATOM 979 O GLU A 67 -1.152 1.691 -5.791 1.00 0.17 O ATOM 980 CB GLU A 67 -3.092 -0.554 -7.182 1.00 0.18 C ATOM 981 CG GLU A 67 -3.783 -0.858 -8.513 1.00 0.26 C ATOM 982 CD GLU A 67 -5.056 -1.665 -8.250 1.00 0.34 C ATOM 983 OE1 GLU A 67 -5.160 -2.237 -7.178 1.00 0.17 O ATOM 984 OE2 GLU A 67 -5.905 -1.698 -9.126 1.00 0.60 O ATOM 0 H GLU A 67 -1.138 -1.909 -8.090 1.00 0.15 H new ATOM 0 HA GLU A 67 -1.855 0.882 -8.137 1.00 0.16 H new ATOM 0 HB2 GLU A 67 -2.994 -1.467 -6.595 1.00 0.18 H new ATOM 0 HB3 GLU A 67 -3.697 0.138 -6.596 1.00 0.18 H new ATOM 0 HG2 GLU A 67 -4.028 0.070 -9.029 1.00 0.26 H new ATOM 0 HG3 GLU A 67 -3.112 -1.418 -9.165 1.00 0.26 H new ATOM 991 N PHE A 68 -0.425 -0.348 -5.417 1.00 0.12 N ATOM 992 CA PHE A 68 0.233 0.071 -4.150 1.00 0.13 C ATOM 993 C PHE A 68 1.379 1.033 -4.466 1.00 0.13 C ATOM 994 O PHE A 68 1.613 1.996 -3.765 1.00 0.16 O ATOM 995 CB PHE A 68 0.761 -1.170 -3.409 1.00 0.11 C ATOM 996 CG PHE A 68 1.436 -0.755 -2.128 1.00 0.10 C ATOM 997 CD1 PHE A 68 0.692 -0.644 -0.950 1.00 0.09 C ATOM 998 CD2 PHE A 68 2.810 -0.482 -2.120 1.00 0.11 C ATOM 999 CE1 PHE A 68 1.324 -0.256 0.240 1.00 0.09 C ATOM 1000 CE2 PHE A 68 3.439 -0.097 -0.932 1.00 0.11 C ATOM 1001 CZ PHE A 68 2.696 0.017 0.247 1.00 0.10 C ATOM 0 H PHE A 68 -0.324 -1.335 -5.653 1.00 0.12 H new ATOM 0 HA PHE A 68 -0.488 0.580 -3.511 1.00 0.13 H new ATOM 0 HB2 PHE A 68 -0.061 -1.852 -3.192 1.00 0.11 H new ATOM 0 HB3 PHE A 68 1.465 -1.710 -4.042 1.00 0.11 H new ATOM 0 HD1 PHE A 68 -0.367 -0.857 -0.956 1.00 0.09 H new ATOM 0 HD2 PHE A 68 3.383 -0.569 -3.031 1.00 0.11 H new ATOM 0 HE1 PHE A 68 0.751 -0.168 1.151 1.00 0.09 H new ATOM 0 HE2 PHE A 68 4.499 0.112 -0.925 1.00 0.11 H new ATOM 0 HZ PHE A 68 3.182 0.316 1.164 1.00 0.10 H new ATOM 1011 N LEU A 69 2.103 0.763 -5.532 1.00 0.11 N ATOM 1012 CA LEU A 69 3.240 1.650 -5.899 1.00 0.12 C ATOM 1013 C LEU A 69 2.706 3.039 -6.285 1.00 0.15 C ATOM 1014 O LEU A 69 3.294 4.050 -5.956 1.00 0.17 O ATOM 1015 CB LEU A 69 4.052 1.056 -7.074 1.00 0.07 C ATOM 1016 CG LEU A 69 5.073 0.008 -6.586 1.00 0.15 C ATOM 1017 CD1 LEU A 69 5.840 -0.547 -7.804 1.00 0.17 C ATOM 1018 CD2 LEU A 69 6.072 0.631 -5.581 1.00 0.24 C ATOM 0 H LEU A 69 1.951 -0.030 -6.155 1.00 0.11 H new ATOM 0 HA LEU A 69 3.902 1.736 -5.037 1.00 0.12 H new ATOM 0 HB2 LEU A 69 3.372 0.596 -7.791 1.00 0.07 H new ATOM 0 HB3 LEU A 69 4.574 1.857 -7.598 1.00 0.07 H new ATOM 0 HG LEU A 69 4.539 -0.795 -6.078 1.00 0.15 H new ATOM 0 HD11 LEU A 69 6.565 -1.289 -7.470 1.00 0.17 H new ATOM 0 HD12 LEU A 69 5.137 -1.012 -8.496 1.00 0.17 H new ATOM 0 HD13 LEU A 69 6.360 0.267 -8.308 1.00 0.17 H new ATOM 0 HD21 LEU A 69 6.780 -0.130 -5.253 1.00 0.24 H new ATOM 0 HD22 LEU A 69 6.612 1.446 -6.063 1.00 0.24 H new ATOM 0 HD23 LEU A 69 5.528 1.016 -4.718 1.00 0.24 H new ATOM 1030 N THR A 70 1.601 3.100 -6.992 1.00 0.18 N ATOM 1031 CA THR A 70 1.055 4.426 -7.397 1.00 0.23 C ATOM 1032 C THR A 70 0.597 5.186 -6.147 1.00 0.26 C ATOM 1033 O THR A 70 0.780 6.382 -6.045 1.00 0.26 O ATOM 1034 CB THR A 70 -0.120 4.246 -8.374 1.00 0.22 C ATOM 1035 OG1 THR A 70 0.368 3.719 -9.600 1.00 0.23 O ATOM 1036 CG2 THR A 70 -0.786 5.600 -8.632 1.00 0.22 C ATOM 0 H THR A 70 1.060 2.292 -7.302 1.00 0.18 H new ATOM 0 HA THR A 70 1.833 4.997 -7.903 1.00 0.23 H new ATOM 0 HB THR A 70 -0.850 3.561 -7.943 1.00 0.22 H new ATOM 0 HG1 THR A 70 -0.377 3.601 -10.225 1.00 0.23 H new ATOM 0 HG21 THR A 70 -1.618 5.470 -9.324 1.00 0.22 H new ATOM 0 HG22 THR A 70 -1.157 6.008 -7.692 1.00 0.22 H new ATOM 0 HG23 THR A 70 -0.058 6.287 -9.064 1.00 0.22 H new ATOM 1044 N MET A 71 0.020 4.512 -5.181 1.00 0.37 N ATOM 1045 CA MET A 71 -0.416 5.223 -3.941 1.00 0.42 C ATOM 1046 C MET A 71 0.835 5.736 -3.225 1.00 0.36 C ATOM 1047 O MET A 71 0.858 6.830 -2.696 1.00 0.30 O ATOM 1048 CB MET A 71 -1.200 4.279 -3.008 1.00 0.58 C ATOM 1049 CG MET A 71 -2.598 3.949 -3.600 1.00 0.43 C ATOM 1050 SD MET A 71 -3.882 4.246 -2.354 1.00 0.51 S ATOM 1051 CE MET A 71 -3.353 2.989 -1.163 1.00 0.41 C ATOM 0 H MET A 71 -0.166 3.509 -5.198 1.00 0.37 H new ATOM 0 HA MET A 71 -1.075 6.049 -4.208 1.00 0.42 H new ATOM 0 HB2 MET A 71 -0.637 3.358 -2.860 1.00 0.58 H new ATOM 0 HB3 MET A 71 -1.316 4.743 -2.029 1.00 0.58 H new ATOM 0 HG2 MET A 71 -2.784 4.564 -4.480 1.00 0.43 H new ATOM 0 HG3 MET A 71 -2.628 2.909 -3.925 1.00 0.43 H new ATOM 0 HE1 MET A 71 -4.222 2.435 -0.809 1.00 0.41 H new ATOM 0 HE2 MET A 71 -2.656 2.302 -1.644 1.00 0.41 H new ATOM 0 HE3 MET A 71 -2.862 3.472 -0.318 1.00 0.41 H new ATOM 1061 N MET A 72 1.881 4.950 -3.211 1.00 0.39 N ATOM 1062 CA MET A 72 3.141 5.378 -2.537 1.00 0.37 C ATOM 1063 C MET A 72 3.707 6.621 -3.228 1.00 0.30 C ATOM 1064 O MET A 72 4.115 7.576 -2.598 1.00 0.29 O ATOM 1065 CB MET A 72 4.167 4.247 -2.612 1.00 0.44 C ATOM 1066 CG MET A 72 3.740 3.106 -1.689 1.00 0.52 C ATOM 1067 SD MET A 72 3.944 3.613 0.036 1.00 2.02 S ATOM 1068 CE MET A 72 5.678 3.128 0.214 1.00 0.71 C ATOM 0 H MET A 72 1.915 4.025 -3.640 1.00 0.39 H new ATOM 0 HA MET A 72 2.926 5.613 -1.495 1.00 0.37 H new ATOM 0 HB2 MET A 72 4.252 3.887 -3.637 1.00 0.44 H new ATOM 0 HB3 MET A 72 5.151 4.615 -2.321 1.00 0.44 H new ATOM 0 HG2 MET A 72 2.700 2.840 -1.880 1.00 0.52 H new ATOM 0 HG3 MET A 72 4.339 2.218 -1.891 1.00 0.52 H new ATOM 0 HE1 MET A 72 5.977 3.223 1.258 1.00 0.71 H new ATOM 0 HE2 MET A 72 5.801 2.093 -0.107 1.00 0.71 H new ATOM 0 HE3 MET A 72 6.302 3.775 -0.402 1.00 0.71 H new ATOM 1078 N ALA A 73 3.750 6.586 -4.532 1.00 0.27 N ATOM 1079 CA ALA A 73 4.308 7.730 -5.309 1.00 0.24 C ATOM 1080 C ALA A 73 3.490 9.005 -5.068 1.00 0.26 C ATOM 1081 O ALA A 73 4.027 10.091 -4.981 1.00 0.24 O ATOM 1082 CB ALA A 73 4.309 7.380 -6.808 1.00 0.24 C ATOM 0 H ALA A 73 3.419 5.805 -5.098 1.00 0.27 H new ATOM 0 HA ALA A 73 5.329 7.914 -4.976 1.00 0.24 H new ATOM 0 HB1 ALA A 73 4.717 8.216 -7.377 1.00 0.24 H new ATOM 0 HB2 ALA A 73 4.922 6.494 -6.974 1.00 0.24 H new ATOM 0 HB3 ALA A 73 3.289 7.182 -7.136 1.00 0.24 H new ATOM 1088 N ARG A 74 2.195 8.884 -4.969 1.00 0.33 N ATOM 1089 CA ARG A 74 1.346 10.086 -4.745 1.00 0.37 C ATOM 1090 C ARG A 74 1.591 10.631 -3.328 1.00 0.34 C ATOM 1091 O ARG A 74 1.559 11.821 -3.089 1.00 0.32 O ATOM 1092 CB ARG A 74 -0.132 9.696 -4.923 1.00 0.47 C ATOM 1093 CG ARG A 74 -0.543 9.846 -6.402 1.00 0.18 C ATOM 1094 CD ARG A 74 -0.783 11.333 -6.770 1.00 0.14 C ATOM 1095 NE ARG A 74 -2.044 11.466 -7.568 1.00 1.36 N ATOM 1096 CZ ARG A 74 -2.310 10.661 -8.565 1.00 1.63 C ATOM 1097 NH1 ARG A 74 -1.431 9.782 -8.962 1.00 2.86 N ATOM 1098 NH2 ARG A 74 -3.451 10.761 -9.187 1.00 1.33 N ATOM 0 H ARG A 74 1.688 8.002 -5.034 1.00 0.33 H new ATOM 0 HA ARG A 74 1.600 10.863 -5.466 1.00 0.37 H new ATOM 0 HB2 ARG A 74 -0.287 8.668 -4.596 1.00 0.47 H new ATOM 0 HB3 ARG A 74 -0.761 10.328 -4.296 1.00 0.47 H new ATOM 0 HG2 ARG A 74 0.236 9.431 -7.042 1.00 0.18 H new ATOM 0 HG3 ARG A 74 -1.450 9.271 -6.590 1.00 0.18 H new ATOM 0 HD2 ARG A 74 -0.852 11.934 -5.863 1.00 0.14 H new ATOM 0 HD3 ARG A 74 0.062 11.715 -7.343 1.00 0.14 H new ATOM 0 HE ARG A 74 -2.710 12.200 -7.329 1.00 1.36 H new ATOM 0 HH11 ARG A 74 -0.527 9.718 -8.494 1.00 2.86 H new ATOM 0 HH12 ARG A 74 -1.648 9.159 -9.740 1.00 2.86 H new ATOM 0 HH21 ARG A 74 -4.131 11.464 -8.896 1.00 1.33 H new ATOM 0 HH22 ARG A 74 -3.664 10.137 -9.965 1.00 1.33 H new ATOM 1112 N LYS A 75 1.820 9.748 -2.390 1.00 0.35 N ATOM 1113 CA LYS A 75 2.049 10.184 -0.980 1.00 0.35 C ATOM 1114 C LYS A 75 3.458 10.785 -0.830 1.00 0.28 C ATOM 1115 O LYS A 75 3.692 11.616 0.026 1.00 0.27 O ATOM 1116 CB LYS A 75 1.883 8.965 -0.041 1.00 0.39 C ATOM 1117 CG LYS A 75 0.540 9.031 0.706 1.00 0.47 C ATOM 1118 CD LYS A 75 0.650 9.993 1.894 1.00 1.35 C ATOM 1119 CE LYS A 75 -0.661 9.985 2.681 1.00 1.96 C ATOM 1120 NZ LYS A 75 -1.812 10.019 1.734 1.00 2.75 N ATOM 0 H LYS A 75 1.858 8.740 -2.541 1.00 0.35 H new ATOM 0 HA LYS A 75 1.321 10.950 -0.713 1.00 0.35 H new ATOM 0 HB2 LYS A 75 1.937 8.044 -0.621 1.00 0.39 H new ATOM 0 HB3 LYS A 75 2.703 8.939 0.677 1.00 0.39 H new ATOM 0 HG2 LYS A 75 -0.247 9.364 0.029 1.00 0.47 H new ATOM 0 HG3 LYS A 75 0.260 8.038 1.056 1.00 0.47 H new ATOM 0 HD2 LYS A 75 1.476 9.696 2.540 1.00 1.35 H new ATOM 0 HD3 LYS A 75 0.868 11.001 1.540 1.00 1.35 H new ATOM 0 HE2 LYS A 75 -0.717 9.093 3.305 1.00 1.96 H new ATOM 0 HE3 LYS A 75 -0.701 10.845 3.349 1.00 1.96 H new ATOM 0 HZ1 LYS A 75 -2.690 10.201 2.261 1.00 2.75 H new ATOM 0 HZ2 LYS A 75 -1.665 10.775 1.035 1.00 2.75 H new ATOM 0 HZ3 LYS A 75 -1.886 9.105 1.244 1.00 2.75 H new ATOM 1134 N MET A 76 4.390 10.387 -1.642 1.00 0.29 N ATOM 1135 CA MET A 76 5.763 10.959 -1.523 1.00 0.29 C ATOM 1136 C MET A 76 5.760 12.412 -2.001 1.00 0.70 C ATOM 1137 O MET A 76 5.740 12.619 -3.203 1.00 1.39 O ATOM 1138 CB MET A 76 6.727 10.137 -2.382 1.00 0.91 C ATOM 1139 CG MET A 76 6.917 8.750 -1.758 1.00 1.10 C ATOM 1140 SD MET A 76 8.095 8.861 -0.389 1.00 1.88 S ATOM 1141 CE MET A 76 9.593 8.560 -1.359 1.00 1.00 C ATOM 0 H MET A 76 4.267 9.694 -2.381 1.00 0.29 H new ATOM 0 HA MET A 76 6.082 10.927 -0.481 1.00 0.29 H new ATOM 0 HB2 MET A 76 6.336 10.041 -3.395 1.00 0.91 H new ATOM 0 HB3 MET A 76 7.687 10.647 -2.458 1.00 0.91 H new ATOM 0 HG2 MET A 76 5.962 8.367 -1.400 1.00 1.10 H new ATOM 0 HG3 MET A 76 7.281 8.048 -2.509 1.00 1.10 H new ATOM 0 HE1 MET A 76 10.463 8.584 -0.702 1.00 1.00 H new ATOM 0 HE2 MET A 76 9.527 7.583 -1.837 1.00 1.00 H new ATOM 0 HE3 MET A 76 9.693 9.332 -2.122 1.00 1.00 H new