USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 440 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 37 SER OG : rot -172:sc= 1 USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= 0.0021 USER MOD Set 1.3: A 52 TYR OH : rot 15:sc= -1.03 USER MOD Single : A 8 CYS SG : rot 173:sc= -8.14! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -130:sc= -0.129 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 126:sc= 0.479! USER MOD Single : A 36 GLN : amide:sc= -0.0125 X(o=-0.013,f=-0.39) USER MOD Single : A 45 SER OG : rot 140:sc= -1.93! USER MOD Single : A 46 LYS NZ :NH3+ -142:sc= -0.0251 (180deg=-0.314) USER MOD Single : A 50 THR OG1 : rot 65:sc= -7.2! USER MOD Single : A 57 CYS SG : rot 110:sc= -0.0352 USER MOD Single : A 60 THR OG1 : rot 78:sc= 0.129 USER MOD Single : A 65 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.00784) USER MOD Single : A 66 GLN : amide:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 70 CYS SG : rot 40:sc= 0.0127 USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 59.822 -3.117 11.536 1.00 0.00 N ATOM 56 CA TRP A 5 60.677 -2.987 10.323 1.00 0.00 C ATOM 57 C TRP A 5 61.146 -4.375 9.874 1.00 0.00 C ATOM 58 O TRP A 5 61.740 -5.114 10.633 1.00 0.00 O ATOM 59 CB TRP A 5 61.897 -2.123 10.652 1.00 0.00 C ATOM 60 CG TRP A 5 61.452 -0.783 11.152 1.00 0.00 C ATOM 61 CD1 TRP A 5 61.097 -0.503 12.428 1.00 0.00 C ATOM 62 CD2 TRP A 5 61.319 0.463 10.411 1.00 0.00 C ATOM 63 NE1 TRP A 5 60.750 0.834 12.514 1.00 0.00 N ATOM 64 CE2 TRP A 5 60.872 1.472 11.296 1.00 0.00 C ATOM 65 CE3 TRP A 5 61.540 0.809 9.069 1.00 0.00 C ATOM 66 CZ2 TRP A 5 60.653 2.779 10.863 1.00 0.00 C ATOM 67 CZ3 TRP A 5 61.320 2.125 8.628 1.00 0.00 C ATOM 68 CH2 TRP A 5 60.878 3.108 9.524 1.00 0.00 C ATOM 0 HA TRP A 5 60.102 -2.521 9.523 1.00 0.00 H new ATOM 0 HB2 TRP A 5 62.511 -2.617 11.405 1.00 0.00 H new ATOM 0 HB3 TRP A 5 62.518 -2.002 9.764 1.00 0.00 H new ATOM 0 HD1 TRP A 5 61.086 -1.208 13.246 1.00 0.00 H new ATOM 0 HE1 TRP A 5 60.442 1.292 13.372 1.00 0.00 H new ATOM 0 HE3 TRP A 5 61.881 0.059 8.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 60.312 3.532 11.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 61.492 2.380 7.593 1.00 0.00 H new ATOM 0 HH2 TRP A 5 60.712 4.118 9.180 1.00 0.00 H new ATOM 79 N LEU A 6 60.886 -4.733 8.645 1.00 0.00 N ATOM 80 CA LEU A 6 61.320 -6.072 8.152 1.00 0.00 C ATOM 81 C LEU A 6 62.452 -5.901 7.137 1.00 0.00 C ATOM 82 O LEU A 6 62.516 -4.919 6.424 1.00 0.00 O ATOM 83 CB LEU A 6 60.138 -6.779 7.484 1.00 0.00 C ATOM 84 CG LEU A 6 59.294 -5.757 6.722 1.00 0.00 C ATOM 85 CD1 LEU A 6 58.694 -6.417 5.479 1.00 0.00 C ATOM 86 CD2 LEU A 6 58.166 -5.256 7.625 1.00 0.00 C ATOM 0 H LEU A 6 60.393 -4.157 7.962 1.00 0.00 H new ATOM 0 HA LEU A 6 61.673 -6.670 8.992 1.00 0.00 H new ATOM 0 HB2 LEU A 6 60.500 -7.548 6.802 1.00 0.00 H new ATOM 0 HB3 LEU A 6 59.529 -7.281 8.236 1.00 0.00 H new ATOM 0 HG LEU A 6 59.922 -4.918 6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 6 58.092 -5.689 4.935 1.00 0.00 H new ATOM 0 HD12 LEU A 6 59.496 -6.778 4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 6 58.065 -7.255 5.780 1.00 0.00 H new ATOM 0 HD21 LEU A 6 57.563 -4.527 7.084 1.00 0.00 H new ATOM 0 HD22 LEU A 6 57.539 -6.096 7.924 1.00 0.00 H new ATOM 0 HD23 LEU A 6 58.591 -4.787 8.512 1.00 0.00 H new ATOM 98 N ASP A 7 63.348 -6.848 7.066 1.00 0.00 N ATOM 99 CA ASP A 7 64.475 -6.735 6.098 1.00 0.00 C ATOM 100 C ASP A 7 63.931 -6.333 4.726 1.00 0.00 C ATOM 101 O ASP A 7 62.832 -6.693 4.353 1.00 0.00 O ATOM 102 CB ASP A 7 65.196 -8.081 5.988 1.00 0.00 C ATOM 103 CG ASP A 7 66.705 -7.866 6.123 1.00 0.00 C ATOM 104 OD1 ASP A 7 67.093 -6.806 6.585 1.00 0.00 O ATOM 105 OD2 ASP A 7 67.447 -8.764 5.761 1.00 0.00 O ATOM 0 H ASP A 7 63.348 -7.694 7.636 1.00 0.00 H new ATOM 0 HA ASP A 7 65.177 -5.977 6.447 1.00 0.00 H new ATOM 0 HB2 ASP A 7 64.844 -8.759 6.766 1.00 0.00 H new ATOM 0 HB3 ASP A 7 64.969 -8.550 5.030 1.00 0.00 H new ATOM 110 N CYS A 8 64.691 -5.584 3.975 1.00 0.00 N ATOM 111 CA CYS A 8 64.219 -5.151 2.630 1.00 0.00 C ATOM 112 C CYS A 8 64.633 -6.185 1.576 1.00 0.00 C ATOM 113 O CYS A 8 65.808 -6.365 1.324 1.00 0.00 O ATOM 114 CB CYS A 8 64.859 -3.809 2.287 1.00 0.00 C ATOM 115 SG CYS A 8 63.868 -2.469 2.987 1.00 0.00 S ATOM 0 H CYS A 8 65.620 -5.253 4.236 1.00 0.00 H new ATOM 0 HA CYS A 8 63.133 -5.059 2.640 1.00 0.00 H new ATOM 0 HB2 CYS A 8 65.875 -3.768 2.681 1.00 0.00 H new ATOM 0 HB3 CYS A 8 64.931 -3.695 1.205 1.00 0.00 H new ATOM 0 HG CYS A 8 64.494 -1.340 2.833 1.00 0.00 H new ATOM 121 N PRO A 9 63.659 -6.832 0.985 1.00 0.00 N ATOM 122 CA PRO A 9 63.903 -7.847 -0.052 1.00 0.00 C ATOM 123 C PRO A 9 64.199 -7.175 -1.397 1.00 0.00 C ATOM 124 O PRO A 9 65.049 -7.612 -2.147 1.00 0.00 O ATOM 125 CB PRO A 9 62.587 -8.627 -0.109 1.00 0.00 C ATOM 126 CG PRO A 9 61.498 -7.687 0.462 1.00 0.00 C ATOM 127 CD PRO A 9 62.230 -6.617 1.294 1.00 0.00 C ATOM 0 HA PRO A 9 64.760 -8.484 0.165 1.00 0.00 H new ATOM 0 HB2 PRO A 9 62.352 -8.918 -1.133 1.00 0.00 H new ATOM 0 HB3 PRO A 9 62.654 -9.545 0.475 1.00 0.00 H new ATOM 0 HG2 PRO A 9 60.924 -7.226 -0.342 1.00 0.00 H new ATOM 0 HG3 PRO A 9 60.792 -8.242 1.080 1.00 0.00 H new ATOM 0 HD2 PRO A 9 61.910 -5.612 1.020 1.00 0.00 H new ATOM 0 HD3 PRO A 9 62.031 -6.735 2.359 1.00 0.00 H new ATOM 135 N ALA A 10 63.502 -6.114 -1.708 1.00 0.00 N ATOM 136 CA ALA A 10 63.744 -5.419 -3.003 1.00 0.00 C ATOM 137 C ALA A 10 65.160 -4.838 -3.017 1.00 0.00 C ATOM 138 O ALA A 10 65.888 -4.980 -3.979 1.00 0.00 O ATOM 139 CB ALA A 10 62.725 -4.291 -3.177 1.00 0.00 C ATOM 0 H ALA A 10 62.777 -5.700 -1.121 1.00 0.00 H new ATOM 0 HA ALA A 10 63.638 -6.132 -3.821 1.00 0.00 H new ATOM 0 HB1 ALA A 10 62.903 -3.783 -4.125 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.717 -4.707 -3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 10 62.828 -3.578 -2.359 1.00 0.00 H new ATOM 145 N LEU A 11 65.559 -4.183 -1.959 1.00 0.00 N ATOM 146 CA LEU A 11 66.929 -3.596 -1.922 1.00 0.00 C ATOM 147 C LEU A 11 67.913 -4.614 -1.341 1.00 0.00 C ATOM 148 O LEU A 11 68.972 -4.847 -1.887 1.00 0.00 O ATOM 149 CB LEU A 11 66.929 -2.335 -1.049 1.00 0.00 C ATOM 150 CG LEU A 11 65.946 -1.295 -1.605 1.00 0.00 C ATOM 151 CD1 LEU A 11 66.381 0.099 -1.148 1.00 0.00 C ATOM 152 CD2 LEU A 11 65.936 -1.338 -3.137 1.00 0.00 C ATOM 0 H LEU A 11 64.997 -4.030 -1.122 1.00 0.00 H new ATOM 0 HA LEU A 11 67.232 -3.336 -2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 11 66.654 -2.594 -0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 11 67.933 -1.912 -1.012 1.00 0.00 H new ATOM 0 HG LEU A 11 64.945 -1.519 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 11 65.687 0.843 -1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 11 66.382 0.141 -0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 11 67.384 0.307 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 11 65.235 -0.595 -3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 11 66.935 -1.120 -3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 11 65.631 -2.330 -3.471 1.00 0.00 H new ATOM 164 N GLY A 12 67.575 -5.221 -0.236 1.00 0.00 N ATOM 165 CA GLY A 12 68.499 -6.221 0.373 1.00 0.00 C ATOM 166 C GLY A 12 68.700 -5.905 1.860 1.00 0.00 C ATOM 167 O GLY A 12 67.843 -5.316 2.488 1.00 0.00 O ATOM 0 H GLY A 12 66.703 -5.069 0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 12 68.090 -7.225 0.257 1.00 0.00 H new ATOM 0 HA3 GLY A 12 69.458 -6.206 -0.144 1.00 0.00 H new ATOM 171 N PRO A 13 69.835 -6.310 2.376 1.00 0.00 N ATOM 172 CA PRO A 13 70.191 -6.091 3.789 1.00 0.00 C ATOM 173 C PRO A 13 70.637 -4.645 4.011 1.00 0.00 C ATOM 174 O PRO A 13 71.073 -3.971 3.098 1.00 0.00 O ATOM 175 CB PRO A 13 71.348 -7.065 4.024 1.00 0.00 C ATOM 176 CG PRO A 13 71.954 -7.368 2.633 1.00 0.00 C ATOM 177 CD PRO A 13 70.868 -7.023 1.596 1.00 0.00 C ATOM 0 HA PRO A 13 69.358 -6.257 4.472 1.00 0.00 H new ATOM 0 HB2 PRO A 13 72.095 -6.628 4.686 1.00 0.00 H new ATOM 0 HB3 PRO A 13 70.995 -7.979 4.501 1.00 0.00 H new ATOM 0 HG2 PRO A 13 72.853 -6.775 2.464 1.00 0.00 H new ATOM 0 HG3 PRO A 13 72.244 -8.416 2.556 1.00 0.00 H new ATOM 0 HD2 PRO A 13 71.265 -6.398 0.796 1.00 0.00 H new ATOM 0 HD3 PRO A 13 70.465 -7.921 1.128 1.00 0.00 H new ATOM 185 N GLY A 14 70.521 -4.159 5.216 1.00 0.00 N ATOM 186 CA GLY A 14 70.928 -2.753 5.497 1.00 0.00 C ATOM 187 C GLY A 14 69.737 -1.825 5.251 1.00 0.00 C ATOM 188 O GLY A 14 69.631 -0.765 5.833 1.00 0.00 O ATOM 0 H GLY A 14 70.162 -4.675 6.019 1.00 0.00 H new ATOM 0 HA2 GLY A 14 71.270 -2.660 6.528 1.00 0.00 H new ATOM 0 HA3 GLY A 14 71.764 -2.469 4.857 1.00 0.00 H new ATOM 192 N TRP A 15 68.836 -2.222 4.393 1.00 0.00 N ATOM 193 CA TRP A 15 67.647 -1.373 4.106 1.00 0.00 C ATOM 194 C TRP A 15 66.440 -1.936 4.865 1.00 0.00 C ATOM 195 O TRP A 15 66.186 -3.125 4.852 1.00 0.00 O ATOM 196 CB TRP A 15 67.373 -1.385 2.600 1.00 0.00 C ATOM 197 CG TRP A 15 66.660 -0.133 2.215 1.00 0.00 C ATOM 198 CD1 TRP A 15 65.464 -0.080 1.586 1.00 0.00 C ATOM 199 CD2 TRP A 15 67.077 1.245 2.421 1.00 0.00 C ATOM 200 NE1 TRP A 15 65.119 1.245 1.396 1.00 0.00 N ATOM 201 CE2 TRP A 15 66.082 2.099 1.894 1.00 0.00 C ATOM 202 CE3 TRP A 15 68.211 1.831 3.009 1.00 0.00 C ATOM 203 CZ2 TRP A 15 66.207 3.485 1.949 1.00 0.00 C ATOM 204 CZ3 TRP A 15 68.341 3.228 3.065 1.00 0.00 C ATOM 205 CH2 TRP A 15 67.340 4.053 2.536 1.00 0.00 C ATOM 0 H TRP A 15 68.874 -3.101 3.877 1.00 0.00 H new ATOM 0 HA TRP A 15 67.829 -0.347 4.427 1.00 0.00 H new ATOM 0 HB2 TRP A 15 68.310 -1.466 2.050 1.00 0.00 H new ATOM 0 HB3 TRP A 15 66.772 -2.255 2.336 1.00 0.00 H new ATOM 0 HD1 TRP A 15 64.875 -0.933 1.282 1.00 0.00 H new ATOM 0 HE1 TRP A 15 64.259 1.554 0.943 1.00 0.00 H new ATOM 0 HE3 TRP A 15 68.987 1.203 3.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 65.432 4.117 1.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 69.217 3.669 3.518 1.00 0.00 H new ATOM 0 HH2 TRP A 15 67.444 5.127 2.582 1.00 0.00 H new ATOM 216 N LYS A 16 65.701 -1.093 5.538 1.00 0.00 N ATOM 217 CA LYS A 16 64.523 -1.585 6.310 1.00 0.00 C ATOM 218 C LYS A 16 63.228 -1.198 5.595 1.00 0.00 C ATOM 219 O LYS A 16 63.017 -0.054 5.242 1.00 0.00 O ATOM 220 CB LYS A 16 64.533 -0.957 7.705 1.00 0.00 C ATOM 221 CG LYS A 16 65.227 -1.903 8.687 1.00 0.00 C ATOM 222 CD LYS A 16 66.703 -2.034 8.309 1.00 0.00 C ATOM 223 CE LYS A 16 67.460 -2.731 9.441 1.00 0.00 C ATOM 224 NZ LYS A 16 68.866 -2.980 9.016 1.00 0.00 N ATOM 0 H LYS A 16 65.862 -0.087 5.586 1.00 0.00 H new ATOM 0 HA LYS A 16 64.579 -2.671 6.390 1.00 0.00 H new ATOM 0 HB2 LYS A 16 65.051 0.002 7.680 1.00 0.00 H new ATOM 0 HB3 LYS A 16 63.513 -0.760 8.034 1.00 0.00 H new ATOM 0 HG2 LYS A 16 65.133 -1.522 9.704 1.00 0.00 H new ATOM 0 HG3 LYS A 16 64.747 -2.881 8.667 1.00 0.00 H new ATOM 0 HD2 LYS A 16 66.804 -2.604 7.385 1.00 0.00 H new ATOM 0 HD3 LYS A 16 67.131 -1.049 8.124 1.00 0.00 H new ATOM 0 HE2 LYS A 16 67.444 -2.113 10.339 1.00 0.00 H new ATOM 0 HE3 LYS A 16 66.973 -3.673 9.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 69.382 -3.454 9.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 68.871 -3.586 8.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 69.328 -2.074 8.796 1.00 0.00 H new ATOM 238 N ARG A 17 62.354 -2.146 5.387 1.00 0.00 N ATOM 239 CA ARG A 17 61.068 -1.837 4.704 1.00 0.00 C ATOM 240 C ARG A 17 59.942 -1.825 5.739 1.00 0.00 C ATOM 241 O ARG A 17 59.606 -2.840 6.317 1.00 0.00 O ATOM 242 CB ARG A 17 60.778 -2.902 3.644 1.00 0.00 C ATOM 243 CG ARG A 17 60.652 -2.231 2.277 1.00 0.00 C ATOM 244 CD ARG A 17 60.822 -3.274 1.171 1.00 0.00 C ATOM 245 NE ARG A 17 59.808 -3.037 0.107 1.00 0.00 N ATOM 246 CZ ARG A 17 58.546 -3.315 0.322 1.00 0.00 C ATOM 247 NH1 ARG A 17 58.206 -4.118 1.294 1.00 0.00 N ATOM 248 NH2 ARG A 17 57.625 -2.786 -0.437 1.00 0.00 N ATOM 0 H ARG A 17 62.477 -3.121 5.661 1.00 0.00 H new ATOM 0 HA ARG A 17 61.135 -0.862 4.222 1.00 0.00 H new ATOM 0 HB2 ARG A 17 61.578 -3.642 3.627 1.00 0.00 H new ATOM 0 HB3 ARG A 17 59.858 -3.433 3.888 1.00 0.00 H new ATOM 0 HG2 ARG A 17 59.679 -1.747 2.187 1.00 0.00 H new ATOM 0 HG3 ARG A 17 61.406 -1.451 2.173 1.00 0.00 H new ATOM 0 HD2 ARG A 17 61.826 -3.215 0.751 1.00 0.00 H new ATOM 0 HD3 ARG A 17 60.707 -4.277 1.581 1.00 0.00 H new ATOM 0 HE ARG A 17 60.097 -2.656 -0.794 1.00 0.00 H new ATOM 0 HH11 ARG A 17 58.924 -4.531 1.889 1.00 0.00 H new ATOM 0 HH12 ARG A 17 57.222 -4.332 1.458 1.00 0.00 H new ATOM 0 HH21 ARG A 17 57.889 -2.157 -1.196 1.00 0.00 H new ATOM 0 HH22 ARG A 17 56.642 -3.001 -0.271 1.00 0.00 H new ATOM 262 N ARG A 18 59.362 -0.684 5.980 1.00 0.00 N ATOM 263 CA ARG A 18 58.262 -0.604 6.982 1.00 0.00 C ATOM 264 C ARG A 18 56.912 -0.594 6.262 1.00 0.00 C ATOM 265 O ARG A 18 56.770 -0.028 5.196 1.00 0.00 O ATOM 266 CB ARG A 18 58.414 0.682 7.797 1.00 0.00 C ATOM 267 CG ARG A 18 57.751 0.505 9.165 1.00 0.00 C ATOM 268 CD ARG A 18 56.759 1.645 9.399 1.00 0.00 C ATOM 269 NE ARG A 18 57.036 2.285 10.715 1.00 0.00 N ATOM 270 CZ ARG A 18 56.388 3.363 11.065 1.00 0.00 C ATOM 271 NH1 ARG A 18 55.770 4.075 10.162 1.00 0.00 N ATOM 272 NH2 ARG A 18 56.357 3.729 12.318 1.00 0.00 N ATOM 0 H ARG A 18 59.601 0.198 5.527 1.00 0.00 H new ATOM 0 HA ARG A 18 58.311 -1.467 7.646 1.00 0.00 H new ATOM 0 HB2 ARG A 18 59.470 0.923 7.922 1.00 0.00 H new ATOM 0 HB3 ARG A 18 57.957 1.517 7.266 1.00 0.00 H new ATOM 0 HG2 ARG A 18 57.236 -0.455 9.211 1.00 0.00 H new ATOM 0 HG3 ARG A 18 58.507 0.499 9.950 1.00 0.00 H new ATOM 0 HD2 ARG A 18 56.841 2.382 8.600 1.00 0.00 H new ATOM 0 HD3 ARG A 18 55.738 1.263 9.376 1.00 0.00 H new ATOM 0 HE ARG A 18 57.732 1.881 11.342 1.00 0.00 H new ATOM 0 HH11 ARG A 18 55.793 3.789 9.183 1.00 0.00 H new ATOM 0 HH12 ARG A 18 55.264 4.917 10.435 1.00 0.00 H new ATOM 0 HH21 ARG A 18 56.839 3.173 13.024 1.00 0.00 H new ATOM 0 HH22 ARG A 18 55.851 4.571 12.591 1.00 0.00 H new ATOM 286 N GLU A 19 55.919 -1.211 6.840 1.00 0.00 N ATOM 287 CA GLU A 19 54.577 -1.231 6.193 1.00 0.00 C ATOM 288 C GLU A 19 53.517 -0.825 7.220 1.00 0.00 C ATOM 289 O GLU A 19 53.481 -1.335 8.322 1.00 0.00 O ATOM 290 CB GLU A 19 54.276 -2.641 5.678 1.00 0.00 C ATOM 291 CG GLU A 19 54.037 -3.577 6.864 1.00 0.00 C ATOM 292 CD GLU A 19 54.389 -5.011 6.465 1.00 0.00 C ATOM 293 OE1 GLU A 19 55.466 -5.209 5.928 1.00 0.00 O ATOM 294 OE2 GLU A 19 53.576 -5.888 6.706 1.00 0.00 O ATOM 0 H GLU A 19 55.979 -1.702 7.732 1.00 0.00 H new ATOM 0 HA GLU A 19 54.564 -0.532 5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 19 53.398 -2.624 5.032 1.00 0.00 H new ATOM 0 HB3 GLU A 19 55.108 -3.005 5.076 1.00 0.00 H new ATOM 0 HG2 GLU A 19 54.644 -3.266 7.714 1.00 0.00 H new ATOM 0 HG3 GLU A 19 52.995 -3.522 7.180 1.00 0.00 H new ATOM 301 N VAL A 20 52.655 0.090 6.870 1.00 0.00 N ATOM 302 CA VAL A 20 51.603 0.526 7.832 1.00 0.00 C ATOM 303 C VAL A 20 50.272 0.685 7.096 1.00 0.00 C ATOM 304 O VAL A 20 50.229 0.796 5.889 1.00 0.00 O ATOM 305 CB VAL A 20 52.005 1.863 8.455 1.00 0.00 C ATOM 306 CG1 VAL A 20 51.075 2.182 9.626 1.00 0.00 C ATOM 307 CG2 VAL A 20 53.446 1.774 8.960 1.00 0.00 C ATOM 0 H VAL A 20 52.633 0.554 5.962 1.00 0.00 H new ATOM 0 HA VAL A 20 51.496 -0.223 8.617 1.00 0.00 H new ATOM 0 HB VAL A 20 51.928 2.651 7.706 1.00 0.00 H new ATOM 0 HG11 VAL A 20 51.362 3.135 10.070 1.00 0.00 H new ATOM 0 HG12 VAL A 20 50.047 2.243 9.268 1.00 0.00 H new ATOM 0 HG13 VAL A 20 51.152 1.395 10.376 1.00 0.00 H new ATOM 0 HG21 VAL A 20 53.735 2.726 9.405 1.00 0.00 H new ATOM 0 HG22 VAL A 20 53.521 0.986 9.709 1.00 0.00 H new ATOM 0 HG23 VAL A 20 54.110 1.546 8.126 1.00 0.00 H new ATOM 478 N ASP A 32 50.985 1.546 3.716 1.00 0.00 N ATOM 479 CA ASP A 32 52.046 2.442 3.174 1.00 0.00 C ATOM 480 C ASP A 32 53.394 1.721 3.240 1.00 0.00 C ATOM 481 O ASP A 32 53.515 0.670 3.838 1.00 0.00 O ATOM 482 CB ASP A 32 52.110 3.723 4.008 1.00 0.00 C ATOM 483 CG ASP A 32 51.120 4.747 3.448 1.00 0.00 C ATOM 484 OD1 ASP A 32 49.945 4.637 3.758 1.00 0.00 O ATOM 485 OD2 ASP A 32 51.554 5.624 2.719 1.00 0.00 O ATOM 0 HA ASP A 32 51.817 2.697 2.139 1.00 0.00 H new ATOM 0 HB2 ASP A 32 51.873 3.504 5.049 1.00 0.00 H new ATOM 0 HB3 ASP A 32 53.121 4.131 3.990 1.00 0.00 H new ATOM 490 N THR A 33 54.408 2.270 2.630 1.00 0.00 N ATOM 491 CA THR A 33 55.740 1.602 2.663 1.00 0.00 C ATOM 492 C THR A 33 56.837 2.643 2.893 1.00 0.00 C ATOM 493 O THR A 33 57.147 3.437 2.029 1.00 0.00 O ATOM 494 CB THR A 33 55.986 0.888 1.330 1.00 0.00 C ATOM 495 OG1 THR A 33 54.788 0.250 0.910 1.00 0.00 O ATOM 496 CG2 THR A 33 57.089 -0.157 1.503 1.00 0.00 C ATOM 0 H THR A 33 54.373 3.148 2.112 1.00 0.00 H new ATOM 0 HA THR A 33 55.757 0.876 3.476 1.00 0.00 H new ATOM 0 HB THR A 33 56.294 1.616 0.579 1.00 0.00 H new ATOM 0 HG1 THR A 33 54.979 -0.682 0.675 1.00 0.00 H new ATOM 0 HG21 THR A 33 57.262 -0.664 0.554 1.00 0.00 H new ATOM 0 HG22 THR A 33 58.007 0.333 1.826 1.00 0.00 H new ATOM 0 HG23 THR A 33 56.784 -0.887 2.253 1.00 0.00 H new ATOM 504 N TYR A 34 57.434 2.635 4.053 1.00 0.00 N ATOM 505 CA TYR A 34 58.520 3.613 4.342 1.00 0.00 C ATOM 506 C TYR A 34 59.855 2.866 4.389 1.00 0.00 C ATOM 507 O TYR A 34 59.893 1.663 4.560 1.00 0.00 O ATOM 508 CB TYR A 34 58.258 4.286 5.692 1.00 0.00 C ATOM 509 CG TYR A 34 56.849 4.832 5.724 1.00 0.00 C ATOM 510 CD1 TYR A 34 56.197 5.163 4.530 1.00 0.00 C ATOM 511 CD2 TYR A 34 56.194 5.006 6.950 1.00 0.00 C ATOM 512 CE1 TYR A 34 54.891 5.668 4.561 1.00 0.00 C ATOM 513 CE2 TYR A 34 54.888 5.511 6.981 1.00 0.00 C ATOM 514 CZ TYR A 34 54.237 5.842 5.787 1.00 0.00 C ATOM 515 OH TYR A 34 52.950 6.339 5.817 1.00 0.00 O ATOM 0 H TYR A 34 57.216 1.992 4.814 1.00 0.00 H new ATOM 0 HA TYR A 34 58.550 4.376 3.564 1.00 0.00 H new ATOM 0 HB2 TYR A 34 58.399 3.568 6.500 1.00 0.00 H new ATOM 0 HB3 TYR A 34 58.974 5.092 5.853 1.00 0.00 H new ATOM 0 HD1 TYR A 34 56.701 5.029 3.585 1.00 0.00 H new ATOM 0 HD2 TYR A 34 56.696 4.751 7.871 1.00 0.00 H new ATOM 0 HE1 TYR A 34 54.388 5.923 3.640 1.00 0.00 H new ATOM 0 HE2 TYR A 34 54.383 5.645 7.926 1.00 0.00 H new ATOM 0 HH TYR A 34 52.643 6.396 6.746 1.00 0.00 H new ATOM 525 N TYR A 35 60.950 3.559 4.237 1.00 0.00 N ATOM 526 CA TYR A 35 62.270 2.867 4.273 1.00 0.00 C ATOM 527 C TYR A 35 63.222 3.617 5.205 1.00 0.00 C ATOM 528 O TYR A 35 63.188 4.827 5.305 1.00 0.00 O ATOM 529 CB TYR A 35 62.862 2.820 2.862 1.00 0.00 C ATOM 530 CG TYR A 35 61.884 2.146 1.930 1.00 0.00 C ATOM 531 CD1 TYR A 35 60.722 2.817 1.536 1.00 0.00 C ATOM 532 CD2 TYR A 35 62.138 0.851 1.461 1.00 0.00 C ATOM 533 CE1 TYR A 35 59.812 2.194 0.672 1.00 0.00 C ATOM 534 CE2 TYR A 35 61.228 0.229 0.597 1.00 0.00 C ATOM 535 CZ TYR A 35 60.065 0.901 0.203 1.00 0.00 C ATOM 536 OH TYR A 35 59.169 0.288 -0.648 1.00 0.00 O ATOM 0 H TYR A 35 60.989 4.568 4.090 1.00 0.00 H new ATOM 0 HA TYR A 35 62.134 1.851 4.643 1.00 0.00 H new ATOM 0 HB2 TYR A 35 63.078 3.830 2.512 1.00 0.00 H new ATOM 0 HB3 TYR A 35 63.807 2.277 2.870 1.00 0.00 H new ATOM 0 HD1 TYR A 35 60.526 3.816 1.898 1.00 0.00 H new ATOM 0 HD2 TYR A 35 63.035 0.332 1.765 1.00 0.00 H new ATOM 0 HE1 TYR A 35 58.915 2.712 0.368 1.00 0.00 H new ATOM 0 HE2 TYR A 35 61.424 -0.769 0.235 1.00 0.00 H new ATOM 0 HH TYR A 35 59.636 -0.008 -1.457 1.00 0.00 H new ATOM 546 N GLN A 36 64.075 2.904 5.889 1.00 0.00 N ATOM 547 CA GLN A 36 65.034 3.570 6.816 1.00 0.00 C ATOM 548 C GLN A 36 66.435 2.999 6.588 1.00 0.00 C ATOM 549 O GLN A 36 66.629 1.800 6.558 1.00 0.00 O ATOM 550 CB GLN A 36 64.607 3.314 8.264 1.00 0.00 C ATOM 551 CG GLN A 36 65.678 3.849 9.217 1.00 0.00 C ATOM 552 CD GLN A 36 65.065 4.909 10.136 1.00 0.00 C ATOM 553 OE1 GLN A 36 64.378 5.801 9.679 1.00 0.00 O ATOM 554 NE2 GLN A 36 65.287 4.849 11.421 1.00 0.00 N ATOM 0 H GLN A 36 64.149 1.888 5.846 1.00 0.00 H new ATOM 0 HA GLN A 36 65.041 4.643 6.626 1.00 0.00 H new ATOM 0 HB2 GLN A 36 63.652 3.801 8.464 1.00 0.00 H new ATOM 0 HB3 GLN A 36 64.461 2.246 8.427 1.00 0.00 H new ATOM 0 HG2 GLN A 36 66.091 3.033 9.811 1.00 0.00 H new ATOM 0 HG3 GLN A 36 66.503 4.279 8.649 1.00 0.00 H new ATOM 0 HE21 GLN A 36 65.864 4.100 11.804 1.00 0.00 H new ATOM 0 HE22 GLN A 36 64.884 5.551 12.042 1.00 0.00 H new ATOM 563 N SER A 37 67.413 3.847 6.426 1.00 0.00 N ATOM 564 CA SER A 37 68.800 3.350 6.199 1.00 0.00 C ATOM 565 C SER A 37 69.345 2.751 7.500 1.00 0.00 C ATOM 566 O SER A 37 68.739 2.886 8.545 1.00 0.00 O ATOM 567 CB SER A 37 69.690 4.511 5.752 1.00 0.00 C ATOM 568 OG SER A 37 70.498 4.937 6.842 1.00 0.00 O ATOM 0 H SER A 37 67.312 4.862 6.441 1.00 0.00 H new ATOM 0 HA SER A 37 68.792 2.583 5.424 1.00 0.00 H new ATOM 0 HB2 SER A 37 70.320 4.200 4.918 1.00 0.00 H new ATOM 0 HB3 SER A 37 69.076 5.338 5.396 1.00 0.00 H new ATOM 0 HG SER A 37 70.979 5.754 6.593 1.00 0.00 H new ATOM 574 N PRO A 38 70.477 2.103 7.393 1.00 0.00 N ATOM 575 CA PRO A 38 71.138 1.466 8.544 1.00 0.00 C ATOM 576 C PRO A 38 71.867 2.514 9.390 1.00 0.00 C ATOM 577 O PRO A 38 72.566 2.190 10.330 1.00 0.00 O ATOM 578 CB PRO A 38 72.134 0.500 7.896 1.00 0.00 C ATOM 579 CG PRO A 38 72.393 1.035 6.467 1.00 0.00 C ATOM 580 CD PRO A 38 71.202 1.947 6.116 1.00 0.00 C ATOM 0 HA PRO A 38 70.441 0.966 9.216 1.00 0.00 H new ATOM 0 HB2 PRO A 38 73.061 0.456 8.468 1.00 0.00 H new ATOM 0 HB3 PRO A 38 71.730 -0.512 7.865 1.00 0.00 H new ATOM 0 HG2 PRO A 38 73.331 1.589 6.425 1.00 0.00 H new ATOM 0 HG3 PRO A 38 72.475 0.214 5.755 1.00 0.00 H new ATOM 0 HD2 PRO A 38 71.538 2.909 5.728 1.00 0.00 H new ATOM 0 HD3 PRO A 38 70.569 1.498 5.351 1.00 0.00 H new ATOM 588 N THR A 39 71.713 3.768 9.061 1.00 0.00 N ATOM 589 CA THR A 39 72.400 4.833 9.845 1.00 0.00 C ATOM 590 C THR A 39 71.353 5.671 10.582 1.00 0.00 C ATOM 591 O THR A 39 71.640 6.307 11.576 1.00 0.00 O ATOM 592 CB THR A 39 73.197 5.742 8.901 1.00 0.00 C ATOM 593 OG1 THR A 39 72.318 6.697 8.318 1.00 0.00 O ATOM 594 CG2 THR A 39 73.862 4.908 7.800 1.00 0.00 C ATOM 0 H THR A 39 71.142 4.100 8.284 1.00 0.00 H new ATOM 0 HA THR A 39 73.079 4.371 10.561 1.00 0.00 H new ATOM 0 HB THR A 39 73.974 6.256 9.467 1.00 0.00 H new ATOM 0 HG1 THR A 39 72.823 7.281 7.715 1.00 0.00 H new ATOM 0 HG21 THR A 39 74.425 5.564 7.136 1.00 0.00 H new ATOM 0 HG22 THR A 39 74.538 4.182 8.252 1.00 0.00 H new ATOM 0 HG23 THR A 39 73.096 4.384 7.228 1.00 0.00 H new ATOM 602 N GLY A 40 70.140 5.675 10.099 1.00 0.00 N ATOM 603 CA GLY A 40 69.072 6.471 10.767 1.00 0.00 C ATOM 604 C GLY A 40 68.419 7.417 9.755 1.00 0.00 C ATOM 605 O GLY A 40 67.844 8.424 10.118 1.00 0.00 O ATOM 0 H GLY A 40 69.843 5.161 9.270 1.00 0.00 H new ATOM 0 HA2 GLY A 40 68.321 5.805 11.192 1.00 0.00 H new ATOM 0 HA3 GLY A 40 69.495 7.043 11.593 1.00 0.00 H new ATOM 609 N ASP A 41 68.498 7.103 8.490 1.00 0.00 N ATOM 610 CA ASP A 41 67.873 7.987 7.465 1.00 0.00 C ATOM 611 C ASP A 41 66.414 7.573 7.271 1.00 0.00 C ATOM 612 O ASP A 41 66.097 6.403 7.192 1.00 0.00 O ATOM 613 CB ASP A 41 68.626 7.849 6.139 1.00 0.00 C ATOM 614 CG ASP A 41 68.629 9.195 5.411 1.00 0.00 C ATOM 615 OD1 ASP A 41 69.022 10.175 6.021 1.00 0.00 O ATOM 616 OD2 ASP A 41 68.239 9.222 4.256 1.00 0.00 O ATOM 0 H ASP A 41 68.967 6.275 8.123 1.00 0.00 H new ATOM 0 HA ASP A 41 67.920 9.024 7.797 1.00 0.00 H new ATOM 0 HB2 ASP A 41 69.649 7.520 6.322 1.00 0.00 H new ATOM 0 HB3 ASP A 41 68.153 7.088 5.518 1.00 0.00 H new ATOM 621 N ARG A 42 65.522 8.521 7.200 1.00 0.00 N ATOM 622 CA ARG A 42 64.085 8.173 7.021 1.00 0.00 C ATOM 623 C ARG A 42 63.571 8.751 5.700 1.00 0.00 C ATOM 624 O ARG A 42 63.259 9.922 5.600 1.00 0.00 O ATOM 625 CB ARG A 42 63.280 8.750 8.186 1.00 0.00 C ATOM 626 CG ARG A 42 63.732 10.187 8.458 1.00 0.00 C ATOM 627 CD ARG A 42 64.654 10.209 9.680 1.00 0.00 C ATOM 628 NE ARG A 42 65.764 11.176 9.449 1.00 0.00 N ATOM 629 CZ ARG A 42 65.716 12.368 9.981 1.00 0.00 C ATOM 630 NH1 ARG A 42 65.146 13.349 9.335 1.00 0.00 N ATOM 631 NH2 ARG A 42 66.237 12.580 11.159 1.00 0.00 N ATOM 0 H ARG A 42 65.725 9.519 7.258 1.00 0.00 H new ATOM 0 HA ARG A 42 63.972 7.089 7.000 1.00 0.00 H new ATOM 0 HB2 ARG A 42 62.216 8.731 7.951 1.00 0.00 H new ATOM 0 HB3 ARG A 42 63.421 8.138 9.077 1.00 0.00 H new ATOM 0 HG2 ARG A 42 64.254 10.586 7.588 1.00 0.00 H new ATOM 0 HG3 ARG A 42 62.866 10.826 8.631 1.00 0.00 H new ATOM 0 HD2 ARG A 42 64.090 10.492 10.569 1.00 0.00 H new ATOM 0 HD3 ARG A 42 65.057 9.213 9.862 1.00 0.00 H new ATOM 0 HE ARG A 42 66.563 10.907 8.874 1.00 0.00 H new ATOM 0 HH11 ARG A 42 64.738 13.185 8.415 1.00 0.00 H new ATOM 0 HH12 ARG A 42 65.109 14.280 9.751 1.00 0.00 H new ATOM 0 HH21 ARG A 42 66.682 11.814 11.665 1.00 0.00 H new ATOM 0 HH22 ARG A 42 66.199 13.511 11.573 1.00 0.00 H new ATOM 645 N ILE A 43 63.475 7.933 4.688 1.00 0.00 N ATOM 646 CA ILE A 43 62.975 8.421 3.370 1.00 0.00 C ATOM 647 C ILE A 43 61.625 7.770 3.074 1.00 0.00 C ATOM 648 O ILE A 43 61.324 6.697 3.558 1.00 0.00 O ATOM 649 CB ILE A 43 63.972 8.044 2.276 1.00 0.00 C ATOM 650 CG1 ILE A 43 65.351 8.601 2.637 1.00 0.00 C ATOM 651 CG2 ILE A 43 63.513 8.641 0.946 1.00 0.00 C ATOM 652 CD1 ILE A 43 66.387 7.475 2.596 1.00 0.00 C ATOM 0 H ILE A 43 63.722 6.944 4.717 1.00 0.00 H new ATOM 0 HA ILE A 43 62.862 9.505 3.399 1.00 0.00 H new ATOM 0 HB ILE A 43 64.028 6.959 2.187 1.00 0.00 H new ATOM 0 HG12 ILE A 43 65.629 9.390 1.939 1.00 0.00 H new ATOM 0 HG13 ILE A 43 65.325 9.049 3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 43 64.223 8.374 0.163 1.00 0.00 H new ATOM 0 HG22 ILE A 43 62.528 8.249 0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 43 63.461 9.726 1.033 1.00 0.00 H new ATOM 0 HD11 ILE A 43 67.368 7.874 2.853 1.00 0.00 H new ATOM 0 HD12 ILE A 43 66.111 6.700 3.312 1.00 0.00 H new ATOM 0 HD13 ILE A 43 66.421 7.048 1.594 1.00 0.00 H new ATOM 664 N ARG A 44 60.804 8.408 2.285 1.00 0.00 N ATOM 665 CA ARG A 44 59.477 7.813 1.971 1.00 0.00 C ATOM 666 C ARG A 44 59.257 7.796 0.459 1.00 0.00 C ATOM 667 O ARG A 44 58.262 7.295 -0.024 1.00 0.00 O ATOM 668 CB ARG A 44 58.375 8.629 2.640 1.00 0.00 C ATOM 669 CG ARG A 44 57.291 7.677 3.140 1.00 0.00 C ATOM 670 CD ARG A 44 56.027 8.470 3.475 1.00 0.00 C ATOM 671 NE ARG A 44 55.244 8.709 2.230 1.00 0.00 N ATOM 672 CZ ARG A 44 54.041 9.210 2.302 1.00 0.00 C ATOM 673 NH1 ARG A 44 53.860 10.403 2.798 1.00 0.00 N ATOM 674 NH2 ARG A 44 53.019 8.518 1.879 1.00 0.00 N ATOM 0 H ARG A 44 60.994 9.310 1.847 1.00 0.00 H new ATOM 0 HA ARG A 44 59.449 6.790 2.347 1.00 0.00 H new ATOM 0 HB2 ARG A 44 58.783 9.205 3.470 1.00 0.00 H new ATOM 0 HB3 ARG A 44 57.953 9.344 1.933 1.00 0.00 H new ATOM 0 HG2 ARG A 44 57.072 6.928 2.379 1.00 0.00 H new ATOM 0 HG3 ARG A 44 57.641 7.142 4.023 1.00 0.00 H new ATOM 0 HD2 ARG A 44 55.422 7.922 4.198 1.00 0.00 H new ATOM 0 HD3 ARG A 44 56.293 9.420 3.938 1.00 0.00 H new ATOM 0 HE ARG A 44 55.648 8.481 1.322 1.00 0.00 H new ATOM 0 HH11 ARG A 44 54.659 10.944 3.129 1.00 0.00 H new ATOM 0 HH12 ARG A 44 52.920 10.795 2.854 1.00 0.00 H new ATOM 0 HH21 ARG A 44 53.160 7.585 1.492 1.00 0.00 H new ATOM 0 HH22 ARG A 44 52.079 8.910 1.936 1.00 0.00 H new ATOM 688 N SER A 45 60.179 8.325 -0.294 1.00 0.00 N ATOM 689 CA SER A 45 60.018 8.317 -1.773 1.00 0.00 C ATOM 690 C SER A 45 60.613 7.019 -2.314 1.00 0.00 C ATOM 691 O SER A 45 61.209 6.256 -1.583 1.00 0.00 O ATOM 692 CB SER A 45 60.750 9.512 -2.375 1.00 0.00 C ATOM 693 OG SER A 45 60.967 9.275 -3.760 1.00 0.00 O ATOM 0 H SER A 45 61.035 8.761 0.049 1.00 0.00 H new ATOM 0 HA SER A 45 58.963 8.383 -2.038 1.00 0.00 H new ATOM 0 HB2 SER A 45 60.164 10.421 -2.236 1.00 0.00 H new ATOM 0 HB3 SER A 45 61.702 9.665 -1.866 1.00 0.00 H new ATOM 0 HG SER A 45 60.816 10.104 -4.261 1.00 0.00 H new ATOM 699 N LYS A 46 60.457 6.749 -3.578 1.00 0.00 N ATOM 700 CA LYS A 46 61.020 5.484 -4.127 1.00 0.00 C ATOM 701 C LYS A 46 62.429 5.725 -4.661 1.00 0.00 C ATOM 702 O LYS A 46 63.383 5.126 -4.205 1.00 0.00 O ATOM 703 CB LYS A 46 60.125 4.967 -5.254 1.00 0.00 C ATOM 704 CG LYS A 46 60.790 3.760 -5.920 1.00 0.00 C ATOM 705 CD LYS A 46 59.760 3.014 -6.768 1.00 0.00 C ATOM 706 CE LYS A 46 59.717 3.622 -8.171 1.00 0.00 C ATOM 707 NZ LYS A 46 58.629 4.637 -8.239 1.00 0.00 N ATOM 0 H LYS A 46 59.969 7.342 -4.250 1.00 0.00 H new ATOM 0 HA LYS A 46 61.064 4.742 -3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 46 59.149 4.686 -4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 46 59.956 5.754 -5.989 1.00 0.00 H new ATOM 0 HG2 LYS A 46 61.622 4.088 -6.544 1.00 0.00 H new ATOM 0 HG3 LYS A 46 61.203 3.095 -5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 46 60.018 1.957 -6.826 1.00 0.00 H new ATOM 0 HD3 LYS A 46 58.776 3.077 -6.303 1.00 0.00 H new ATOM 0 HE2 LYS A 46 60.675 4.084 -8.408 1.00 0.00 H new ATOM 0 HE3 LYS A 46 59.547 2.841 -8.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 58.163 4.585 -9.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 57.932 4.449 -7.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 59.031 5.587 -8.106 1.00 0.00 H new ATOM 721 N VAL A 47 62.577 6.588 -5.624 1.00 0.00 N ATOM 722 CA VAL A 47 63.936 6.843 -6.171 1.00 0.00 C ATOM 723 C VAL A 47 64.672 7.826 -5.260 1.00 0.00 C ATOM 724 O VAL A 47 65.887 7.872 -5.240 1.00 0.00 O ATOM 725 CB VAL A 47 63.830 7.413 -7.586 1.00 0.00 C ATOM 726 CG1 VAL A 47 65.216 7.848 -8.063 1.00 0.00 C ATOM 727 CG2 VAL A 47 63.286 6.331 -8.527 1.00 0.00 C ATOM 0 H VAL A 47 61.823 7.124 -6.053 1.00 0.00 H new ATOM 0 HA VAL A 47 64.493 5.907 -6.214 1.00 0.00 H new ATOM 0 HB VAL A 47 63.158 8.271 -7.586 1.00 0.00 H new ATOM 0 HG11 VAL A 47 65.143 8.255 -9.072 1.00 0.00 H new ATOM 0 HG12 VAL A 47 65.609 8.612 -7.392 1.00 0.00 H new ATOM 0 HG13 VAL A 47 65.886 6.988 -8.066 1.00 0.00 H new ATOM 0 HG21 VAL A 47 63.209 6.733 -9.537 1.00 0.00 H new ATOM 0 HG22 VAL A 47 63.962 5.476 -8.527 1.00 0.00 H new ATOM 0 HG23 VAL A 47 62.300 6.014 -8.186 1.00 0.00 H new ATOM 737 N GLU A 48 63.956 8.599 -4.485 1.00 0.00 N ATOM 738 CA GLU A 48 64.643 9.550 -3.568 1.00 0.00 C ATOM 739 C GLU A 48 65.402 8.736 -2.525 1.00 0.00 C ATOM 740 O GLU A 48 66.559 8.987 -2.248 1.00 0.00 O ATOM 741 CB GLU A 48 63.621 10.453 -2.873 1.00 0.00 C ATOM 742 CG GLU A 48 64.109 11.902 -2.913 1.00 0.00 C ATOM 743 CD GLU A 48 62.927 12.844 -2.676 1.00 0.00 C ATOM 744 OE1 GLU A 48 61.967 12.413 -2.058 1.00 0.00 O ATOM 745 OE2 GLU A 48 63.001 13.979 -3.116 1.00 0.00 O ATOM 0 H GLU A 48 62.937 8.612 -4.449 1.00 0.00 H new ATOM 0 HA GLU A 48 65.328 10.182 -4.134 1.00 0.00 H new ATOM 0 HB2 GLU A 48 62.652 10.371 -3.366 1.00 0.00 H new ATOM 0 HB3 GLU A 48 63.481 10.134 -1.840 1.00 0.00 H new ATOM 0 HG2 GLU A 48 64.873 12.061 -2.152 1.00 0.00 H new ATOM 0 HG3 GLU A 48 64.570 12.115 -3.877 1.00 0.00 H new ATOM 752 N LEU A 49 64.770 7.739 -1.960 1.00 0.00 N ATOM 753 CA LEU A 49 65.480 6.899 -0.961 1.00 0.00 C ATOM 754 C LEU A 49 66.532 6.082 -1.707 1.00 0.00 C ATOM 755 O LEU A 49 67.515 5.640 -1.145 1.00 0.00 O ATOM 756 CB LEU A 49 64.480 5.978 -0.246 1.00 0.00 C ATOM 757 CG LEU A 49 64.146 4.761 -1.116 1.00 0.00 C ATOM 758 CD1 LEU A 49 65.256 3.714 -0.991 1.00 0.00 C ATOM 759 CD2 LEU A 49 62.823 4.152 -0.644 1.00 0.00 C ATOM 0 H LEU A 49 63.803 7.475 -2.147 1.00 0.00 H new ATOM 0 HA LEU A 49 65.959 7.519 -0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 49 64.898 5.648 0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 49 63.568 6.530 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 49 64.060 5.074 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 49 65.014 2.851 -1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 49 66.201 4.145 -1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.344 3.400 0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 49 62.581 3.286 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 49 62.916 3.843 0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 49 62.029 4.893 -0.733 1.00 0.00 H new ATOM 771 N THR A 50 66.331 5.899 -2.983 1.00 0.00 N ATOM 772 CA THR A 50 67.315 5.136 -3.796 1.00 0.00 C ATOM 773 C THR A 50 68.594 5.962 -3.910 1.00 0.00 C ATOM 774 O THR A 50 69.616 5.623 -3.348 1.00 0.00 O ATOM 775 CB THR A 50 66.742 4.896 -5.192 1.00 0.00 C ATOM 776 OG1 THR A 50 65.445 4.334 -5.074 1.00 0.00 O ATOM 777 CG2 THR A 50 67.654 3.940 -5.965 1.00 0.00 C ATOM 0 H THR A 50 65.523 6.248 -3.498 1.00 0.00 H new ATOM 0 HA THR A 50 67.528 4.177 -3.324 1.00 0.00 H new ATOM 0 HB THR A 50 66.680 5.842 -5.731 1.00 0.00 H new ATOM 0 HG1 THR A 50 64.845 4.982 -4.650 1.00 0.00 H new ATOM 0 HG21 THR A 50 67.243 3.770 -6.960 1.00 0.00 H new ATOM 0 HG22 THR A 50 68.649 4.377 -6.053 1.00 0.00 H new ATOM 0 HG23 THR A 50 67.720 2.991 -5.433 1.00 0.00 H new ATOM 785 N ARG A 51 68.539 7.052 -4.628 1.00 0.00 N ATOM 786 CA ARG A 51 69.750 7.909 -4.770 1.00 0.00 C ATOM 787 C ARG A 51 70.413 8.062 -3.401 1.00 0.00 C ATOM 788 O ARG A 51 71.612 8.235 -3.297 1.00 0.00 O ATOM 789 CB ARG A 51 69.366 9.294 -5.313 1.00 0.00 C ATOM 790 CG ARG A 51 67.893 9.596 -5.014 1.00 0.00 C ATOM 791 CD ARG A 51 67.742 11.069 -4.630 1.00 0.00 C ATOM 792 NE ARG A 51 67.505 11.878 -5.858 1.00 0.00 N ATOM 793 CZ ARG A 51 66.476 12.677 -5.925 1.00 0.00 C ATOM 794 NH1 ARG A 51 65.311 12.212 -6.289 1.00 0.00 N ATOM 795 NH2 ARG A 51 66.611 13.940 -5.629 1.00 0.00 N ATOM 0 H ARG A 51 67.710 7.385 -5.121 1.00 0.00 H new ATOM 0 HA ARG A 51 70.441 7.440 -5.471 1.00 0.00 H new ATOM 0 HB2 ARG A 51 69.999 10.057 -4.861 1.00 0.00 H new ATOM 0 HB3 ARG A 51 69.540 9.331 -6.388 1.00 0.00 H new ATOM 0 HG2 ARG A 51 67.280 9.372 -5.887 1.00 0.00 H new ATOM 0 HG3 ARG A 51 67.537 8.960 -4.204 1.00 0.00 H new ATOM 0 HD2 ARG A 51 66.912 11.192 -3.934 1.00 0.00 H new ATOM 0 HD3 ARG A 51 68.640 11.417 -4.119 1.00 0.00 H new ATOM 0 HE ARG A 51 68.148 11.807 -6.647 1.00 0.00 H new ATOM 0 HH11 ARG A 51 65.206 11.224 -6.521 1.00 0.00 H new ATOM 0 HH12 ARG A 51 64.506 12.837 -6.341 1.00 0.00 H new ATOM 0 HH21 ARG A 51 67.521 14.303 -5.345 1.00 0.00 H new ATOM 0 HH22 ARG A 51 65.807 14.565 -5.681 1.00 0.00 H new ATOM 809 N TYR A 52 69.646 7.987 -2.345 1.00 0.00 N ATOM 810 CA TYR A 52 70.242 8.115 -0.986 1.00 0.00 C ATOM 811 C TYR A 52 71.285 7.012 -0.798 1.00 0.00 C ATOM 812 O TYR A 52 72.450 7.276 -0.579 1.00 0.00 O ATOM 813 CB TYR A 52 69.148 7.971 0.074 1.00 0.00 C ATOM 814 CG TYR A 52 69.771 8.020 1.449 1.00 0.00 C ATOM 815 CD1 TYR A 52 70.060 9.254 2.043 1.00 0.00 C ATOM 816 CD2 TYR A 52 70.059 6.831 2.129 1.00 0.00 C ATOM 817 CE1 TYR A 52 70.638 9.298 3.318 1.00 0.00 C ATOM 818 CE2 TYR A 52 70.636 6.875 3.404 1.00 0.00 C ATOM 819 CZ TYR A 52 70.925 8.108 3.998 1.00 0.00 C ATOM 820 OH TYR A 52 71.494 8.152 5.255 1.00 0.00 O ATOM 0 H TYR A 52 68.636 7.843 -2.366 1.00 0.00 H new ATOM 0 HA TYR A 52 70.712 9.093 -0.881 1.00 0.00 H new ATOM 0 HB2 TYR A 52 68.415 8.770 -0.034 1.00 0.00 H new ATOM 0 HB3 TYR A 52 68.616 7.030 -0.063 1.00 0.00 H new ATOM 0 HD1 TYR A 52 69.837 10.172 1.519 1.00 0.00 H new ATOM 0 HD2 TYR A 52 69.836 5.879 1.670 1.00 0.00 H new ATOM 0 HE1 TYR A 52 70.862 10.250 3.777 1.00 0.00 H new ATOM 0 HE2 TYR A 52 70.858 5.957 3.929 1.00 0.00 H new ATOM 0 HH TYR A 52 71.413 9.058 5.619 1.00 0.00 H new ATOM 830 N LEU A 53 70.875 5.775 -0.890 1.00 0.00 N ATOM 831 CA LEU A 53 71.845 4.655 -0.725 1.00 0.00 C ATOM 832 C LEU A 53 73.028 4.868 -1.672 1.00 0.00 C ATOM 833 O LEU A 53 74.171 4.888 -1.261 1.00 0.00 O ATOM 834 CB LEU A 53 71.159 3.328 -1.063 1.00 0.00 C ATOM 835 CG LEU A 53 69.841 3.219 -0.294 1.00 0.00 C ATOM 836 CD1 LEU A 53 68.677 3.165 -1.285 1.00 0.00 C ATOM 837 CD2 LEU A 53 69.849 1.943 0.550 1.00 0.00 C ATOM 0 H LEU A 53 69.912 5.493 -1.072 1.00 0.00 H new ATOM 0 HA LEU A 53 72.198 4.629 0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.972 3.267 -2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.812 2.494 -0.805 1.00 0.00 H new ATOM 0 HG LEU A 53 69.726 4.086 0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 53 67.737 3.087 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 53 68.671 4.072 -1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 53 68.792 2.297 -1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 53 68.910 1.864 1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 53 69.963 1.077 -0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 53 70.680 1.978 1.255 1.00 0.00 H new ATOM 849 N GLY A 54 72.760 5.026 -2.941 1.00 0.00 N ATOM 850 CA GLY A 54 73.865 5.236 -3.919 1.00 0.00 C ATOM 851 C GLY A 54 73.597 4.404 -5.176 1.00 0.00 C ATOM 852 O GLY A 54 72.487 3.963 -5.401 1.00 0.00 O ATOM 0 H GLY A 54 71.822 5.019 -3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 54 73.940 6.292 -4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 54 74.818 4.948 -3.475 1.00 0.00 H new ATOM 856 N PRO A 55 74.628 4.212 -5.958 1.00 0.00 N ATOM 857 CA PRO A 55 74.544 3.429 -7.202 1.00 0.00 C ATOM 858 C PRO A 55 74.533 1.931 -6.884 1.00 0.00 C ATOM 859 O PRO A 55 74.366 1.102 -7.756 1.00 0.00 O ATOM 860 CB PRO A 55 75.817 3.821 -7.959 1.00 0.00 C ATOM 861 CG PRO A 55 76.812 4.345 -6.896 1.00 0.00 C ATOM 862 CD PRO A 55 75.972 4.755 -5.672 1.00 0.00 C ATOM 0 HA PRO A 55 73.638 3.625 -7.776 1.00 0.00 H new ATOM 0 HB2 PRO A 55 76.232 2.965 -8.491 1.00 0.00 H new ATOM 0 HB3 PRO A 55 75.605 4.588 -8.704 1.00 0.00 H new ATOM 0 HG2 PRO A 55 77.535 3.574 -6.629 1.00 0.00 H new ATOM 0 HG3 PRO A 55 77.378 5.194 -7.280 1.00 0.00 H new ATOM 0 HD2 PRO A 55 76.381 4.341 -4.751 1.00 0.00 H new ATOM 0 HD3 PRO A 55 75.947 5.838 -5.551 1.00 0.00 H new ATOM 870 N ALA A 56 74.707 1.582 -5.639 1.00 0.00 N ATOM 871 CA ALA A 56 74.705 0.142 -5.260 1.00 0.00 C ATOM 872 C ALA A 56 73.263 -0.373 -5.226 1.00 0.00 C ATOM 873 O ALA A 56 73.007 -1.543 -5.424 1.00 0.00 O ATOM 874 CB ALA A 56 75.338 -0.020 -3.876 1.00 0.00 C ATOM 0 H ALA A 56 74.851 2.233 -4.867 1.00 0.00 H new ATOM 0 HA ALA A 56 75.278 -0.429 -5.991 1.00 0.00 H new ATOM 0 HB1 ALA A 56 75.337 -1.074 -3.597 1.00 0.00 H new ATOM 0 HB2 ALA A 56 76.364 0.349 -3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 56 74.764 0.549 -3.145 1.00 0.00 H new ATOM 880 N CYS A 57 72.320 0.495 -4.977 1.00 0.00 N ATOM 881 CA CYS A 57 70.894 0.059 -4.932 1.00 0.00 C ATOM 882 C CYS A 57 70.155 0.617 -6.151 1.00 0.00 C ATOM 883 O CYS A 57 70.754 1.173 -7.050 1.00 0.00 O ATOM 884 CB CYS A 57 70.239 0.585 -3.655 1.00 0.00 C ATOM 885 SG CYS A 57 70.206 -0.729 -2.411 1.00 0.00 S ATOM 0 H CYS A 57 72.475 1.488 -4.803 1.00 0.00 H new ATOM 0 HA CYS A 57 70.845 -1.030 -4.942 1.00 0.00 H new ATOM 0 HB2 CYS A 57 70.792 1.445 -3.277 1.00 0.00 H new ATOM 0 HB3 CYS A 57 69.226 0.926 -3.867 1.00 0.00 H new ATOM 0 HG CYS A 57 71.041 -0.444 -1.457 1.00 0.00 H new ATOM 891 N ASP A 58 68.858 0.475 -6.188 1.00 0.00 N ATOM 892 CA ASP A 58 68.086 1.001 -7.350 1.00 0.00 C ATOM 893 C ASP A 58 66.594 0.736 -7.139 1.00 0.00 C ATOM 894 O ASP A 58 66.208 -0.228 -6.507 1.00 0.00 O ATOM 895 CB ASP A 58 68.555 0.304 -8.630 1.00 0.00 C ATOM 896 CG ASP A 58 67.580 0.611 -9.768 1.00 0.00 C ATOM 897 OD1 ASP A 58 67.183 1.758 -9.888 1.00 0.00 O ATOM 898 OD2 ASP A 58 67.247 -0.306 -10.500 1.00 0.00 O ATOM 0 H ASP A 58 68.301 0.019 -5.466 1.00 0.00 H new ATOM 0 HA ASP A 58 68.251 2.075 -7.439 1.00 0.00 H new ATOM 0 HB2 ASP A 58 69.557 0.643 -8.894 1.00 0.00 H new ATOM 0 HB3 ASP A 58 68.615 -0.772 -8.469 1.00 0.00 H new ATOM 903 N LEU A 59 65.749 1.587 -7.659 1.00 0.00 N ATOM 904 CA LEU A 59 64.283 1.385 -7.483 1.00 0.00 C ATOM 905 C LEU A 59 63.529 2.046 -8.638 1.00 0.00 C ATOM 906 O LEU A 59 62.330 2.237 -8.579 1.00 0.00 O ATOM 907 CB LEU A 59 63.841 2.020 -6.165 1.00 0.00 C ATOM 908 CG LEU A 59 64.331 1.167 -4.996 1.00 0.00 C ATOM 909 CD1 LEU A 59 65.732 1.620 -4.585 1.00 0.00 C ATOM 910 CD2 LEU A 59 63.376 1.332 -3.813 1.00 0.00 C ATOM 0 H LEU A 59 66.012 2.412 -8.198 1.00 0.00 H new ATOM 0 HA LEU A 59 64.064 0.317 -7.471 1.00 0.00 H new ATOM 0 HB2 LEU A 59 64.242 3.031 -6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 59 62.755 2.104 -6.137 1.00 0.00 H new ATOM 0 HG LEU A 59 64.362 0.120 -5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 59 66.081 1.011 -3.751 1.00 0.00 H new ATOM 0 HD12 LEU A 59 66.413 1.506 -5.428 1.00 0.00 H new ATOM 0 HD13 LEU A 59 65.702 2.667 -4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 59 63.723 0.724 -2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 59 63.347 2.379 -3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 59 62.376 1.010 -4.105 1.00 0.00 H new ATOM 922 N THR A 60 64.217 2.397 -9.690 1.00 0.00 N ATOM 923 CA THR A 60 63.533 3.043 -10.841 1.00 0.00 C ATOM 924 C THR A 60 62.282 2.239 -11.197 1.00 0.00 C ATOM 925 O THR A 60 61.244 2.786 -11.509 1.00 0.00 O ATOM 926 CB THR A 60 64.483 3.073 -12.040 1.00 0.00 C ATOM 927 OG1 THR A 60 65.638 3.833 -11.708 1.00 0.00 O ATOM 928 CG2 THR A 60 63.776 3.707 -13.235 1.00 0.00 C ATOM 0 H THR A 60 65.222 2.264 -9.800 1.00 0.00 H new ATOM 0 HA THR A 60 63.248 4.062 -10.579 1.00 0.00 H new ATOM 0 HB THR A 60 64.780 2.056 -12.296 1.00 0.00 H new ATOM 0 HG1 THR A 60 66.239 3.291 -11.156 1.00 0.00 H new ATOM 0 HG21 THR A 60 64.453 3.728 -14.089 1.00 0.00 H new ATOM 0 HG22 THR A 60 62.892 3.122 -13.487 1.00 0.00 H new ATOM 0 HG23 THR A 60 63.478 4.725 -12.983 1.00 0.00 H new ATOM 936 N LEU A 61 62.377 0.939 -11.148 1.00 0.00 N ATOM 937 CA LEU A 61 61.200 0.087 -11.479 1.00 0.00 C ATOM 938 C LEU A 61 60.606 -0.473 -10.189 1.00 0.00 C ATOM 939 O LEU A 61 59.505 -0.987 -10.168 1.00 0.00 O ATOM 940 CB LEU A 61 61.655 -1.068 -12.374 1.00 0.00 C ATOM 941 CG LEU A 61 61.849 -0.572 -13.814 1.00 0.00 C ATOM 942 CD1 LEU A 61 60.496 -0.542 -14.525 1.00 0.00 C ATOM 943 CD2 LEU A 61 62.455 0.838 -13.808 1.00 0.00 C ATOM 0 H LEU A 61 63.222 0.428 -10.892 1.00 0.00 H new ATOM 0 HA LEU A 61 60.447 0.680 -11.999 1.00 0.00 H new ATOM 0 HB2 LEU A 61 62.588 -1.486 -11.996 1.00 0.00 H new ATOM 0 HB3 LEU A 61 60.915 -1.868 -12.353 1.00 0.00 H new ATOM 0 HG LEU A 61 62.526 -1.247 -14.337 1.00 0.00 H new ATOM 0 HD11 LEU A 61 60.630 -0.190 -15.548 1.00 0.00 H new ATOM 0 HD12 LEU A 61 60.070 -1.545 -14.539 1.00 0.00 H new ATOM 0 HD13 LEU A 61 59.822 0.131 -13.995 1.00 0.00 H new ATOM 0 HD21 LEU A 61 62.589 1.181 -14.834 1.00 0.00 H new ATOM 0 HD22 LEU A 61 61.786 1.519 -13.282 1.00 0.00 H new ATOM 0 HD23 LEU A 61 63.421 0.817 -13.304 1.00 0.00 H new ATOM 955 N PHE A 62 61.332 -0.378 -9.112 1.00 0.00 N ATOM 956 CA PHE A 62 60.827 -0.904 -7.816 1.00 0.00 C ATOM 957 C PHE A 62 59.371 -0.481 -7.617 1.00 0.00 C ATOM 958 O PHE A 62 58.915 0.495 -8.179 1.00 0.00 O ATOM 959 CB PHE A 62 61.687 -0.341 -6.686 1.00 0.00 C ATOM 960 CG PHE A 62 61.047 -0.644 -5.355 1.00 0.00 C ATOM 961 CD1 PHE A 62 61.116 -1.936 -4.822 1.00 0.00 C ATOM 962 CD2 PHE A 62 60.390 0.370 -4.650 1.00 0.00 C ATOM 963 CE1 PHE A 62 60.526 -2.213 -3.584 1.00 0.00 C ATOM 964 CE2 PHE A 62 59.800 0.093 -3.413 1.00 0.00 C ATOM 965 CZ PHE A 62 59.868 -1.198 -2.880 1.00 0.00 C ATOM 0 H PHE A 62 62.260 0.044 -9.074 1.00 0.00 H new ATOM 0 HA PHE A 62 60.881 -1.993 -7.814 1.00 0.00 H new ATOM 0 HB2 PHE A 62 62.686 -0.775 -6.726 1.00 0.00 H new ATOM 0 HB3 PHE A 62 61.803 0.736 -6.807 1.00 0.00 H new ATOM 0 HD1 PHE A 62 61.624 -2.719 -5.366 1.00 0.00 H new ATOM 0 HD2 PHE A 62 60.338 1.367 -5.061 1.00 0.00 H new ATOM 0 HE1 PHE A 62 60.578 -3.210 -3.172 1.00 0.00 H new ATOM 0 HE2 PHE A 62 59.292 0.876 -2.869 1.00 0.00 H new ATOM 0 HZ PHE A 62 59.412 -1.412 -1.924 1.00 0.00 H new ATOM 975 N ASP A 63 58.637 -1.209 -6.821 1.00 0.00 N ATOM 976 CA ASP A 63 57.210 -0.850 -6.587 1.00 0.00 C ATOM 977 C ASP A 63 57.046 -0.322 -5.160 1.00 0.00 C ATOM 978 O ASP A 63 57.121 -1.065 -4.202 1.00 0.00 O ATOM 979 CB ASP A 63 56.333 -2.089 -6.779 1.00 0.00 C ATOM 980 CG ASP A 63 55.689 -2.049 -8.166 1.00 0.00 C ATOM 981 OD1 ASP A 63 55.777 -1.016 -8.808 1.00 0.00 O ATOM 982 OD2 ASP A 63 55.120 -3.052 -8.562 1.00 0.00 O ATOM 0 H ASP A 63 58.964 -2.037 -6.323 1.00 0.00 H new ATOM 0 HA ASP A 63 56.907 -0.080 -7.296 1.00 0.00 H new ATOM 0 HB2 ASP A 63 56.933 -2.993 -6.671 1.00 0.00 H new ATOM 0 HB3 ASP A 63 55.562 -2.125 -6.009 1.00 0.00 H new ATOM 987 N PHE A 64 56.824 0.955 -5.014 1.00 0.00 N ATOM 988 CA PHE A 64 56.654 1.534 -3.651 1.00 0.00 C ATOM 989 C PHE A 64 55.354 1.005 -3.043 1.00 0.00 C ATOM 990 O PHE A 64 54.445 1.755 -2.746 1.00 0.00 O ATOM 991 CB PHE A 64 56.591 3.061 -3.756 1.00 0.00 C ATOM 992 CG PHE A 64 57.382 3.686 -2.630 1.00 0.00 C ATOM 993 CD1 PHE A 64 58.783 3.654 -2.656 1.00 0.00 C ATOM 994 CD2 PHE A 64 56.718 4.303 -1.563 1.00 0.00 C ATOM 995 CE1 PHE A 64 59.516 4.238 -1.616 1.00 0.00 C ATOM 996 CE2 PHE A 64 57.453 4.888 -0.524 1.00 0.00 C ATOM 997 CZ PHE A 64 58.851 4.855 -0.551 1.00 0.00 C ATOM 0 H PHE A 64 56.753 1.624 -5.781 1.00 0.00 H new ATOM 0 HA PHE A 64 57.494 1.250 -3.018 1.00 0.00 H new ATOM 0 HB2 PHE A 64 56.991 3.385 -4.717 1.00 0.00 H new ATOM 0 HB3 PHE A 64 55.554 3.395 -3.713 1.00 0.00 H new ATOM 0 HD1 PHE A 64 59.297 3.179 -3.478 1.00 0.00 H new ATOM 0 HD2 PHE A 64 55.639 4.328 -1.541 1.00 0.00 H new ATOM 0 HE1 PHE A 64 60.596 4.212 -1.636 1.00 0.00 H new ATOM 0 HE2 PHE A 64 56.940 5.365 0.298 1.00 0.00 H new ATOM 0 HZ PHE A 64 59.417 5.306 0.251 1.00 0.00 H new ATOM 1007 N LYS A 65 55.257 -0.285 -2.861 1.00 0.00 N ATOM 1008 CA LYS A 65 54.014 -0.865 -2.278 1.00 0.00 C ATOM 1009 C LYS A 65 54.092 -2.396 -2.314 1.00 0.00 C ATOM 1010 O LYS A 65 53.496 -3.073 -1.500 1.00 0.00 O ATOM 1011 CB LYS A 65 52.807 -0.399 -3.095 1.00 0.00 C ATOM 1012 CG LYS A 65 51.571 -1.202 -2.686 1.00 0.00 C ATOM 1013 CD LYS A 65 51.425 -2.418 -3.604 1.00 0.00 C ATOM 1014 CE LYS A 65 50.637 -2.022 -4.854 1.00 0.00 C ATOM 1015 NZ LYS A 65 49.180 -2.039 -4.546 1.00 0.00 N ATOM 0 H LYS A 65 55.985 -0.961 -3.091 1.00 0.00 H new ATOM 0 HA LYS A 65 53.909 -0.533 -1.245 1.00 0.00 H new ATOM 0 HB2 LYS A 65 52.633 0.665 -2.931 1.00 0.00 H new ATOM 0 HB3 LYS A 65 53.003 -0.530 -4.159 1.00 0.00 H new ATOM 0 HG2 LYS A 65 51.661 -1.525 -1.649 1.00 0.00 H new ATOM 0 HG3 LYS A 65 50.681 -0.576 -2.749 1.00 0.00 H new ATOM 0 HD2 LYS A 65 52.408 -2.795 -3.885 1.00 0.00 H new ATOM 0 HD3 LYS A 65 50.913 -3.224 -3.079 1.00 0.00 H new ATOM 0 HE2 LYS A 65 50.938 -1.029 -5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 65 50.856 -2.712 -5.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 48.674 -1.437 -5.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 48.822 -3.013 -4.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 49.025 -1.678 -3.583 1.00 0.00 H new ATOM 1029 N GLN A 66 54.813 -2.948 -3.253 1.00 0.00 N ATOM 1030 CA GLN A 66 54.914 -4.435 -3.337 1.00 0.00 C ATOM 1031 C GLN A 66 56.270 -4.902 -2.799 1.00 0.00 C ATOM 1032 O GLN A 66 56.409 -6.015 -2.331 1.00 0.00 O ATOM 1033 CB GLN A 66 54.771 -4.873 -4.797 1.00 0.00 C ATOM 1034 CG GLN A 66 54.394 -6.355 -4.849 1.00 0.00 C ATOM 1035 CD GLN A 66 53.619 -6.640 -6.136 1.00 0.00 C ATOM 1036 OE1 GLN A 66 52.694 -7.427 -6.140 1.00 0.00 O ATOM 1037 NE2 GLN A 66 53.961 -6.030 -7.238 1.00 0.00 N ATOM 0 H GLN A 66 55.335 -2.436 -3.964 1.00 0.00 H new ATOM 0 HA GLN A 66 54.119 -4.880 -2.738 1.00 0.00 H new ATOM 0 HB2 GLN A 66 54.008 -4.275 -5.294 1.00 0.00 H new ATOM 0 HB3 GLN A 66 55.706 -4.705 -5.332 1.00 0.00 H new ATOM 0 HG2 GLN A 66 55.292 -6.971 -4.809 1.00 0.00 H new ATOM 0 HG3 GLN A 66 53.788 -6.618 -3.982 1.00 0.00 H new ATOM 0 HE21 GLN A 66 54.738 -5.369 -7.235 1.00 0.00 H new ATOM 0 HE22 GLN A 66 53.451 -6.214 -8.102 1.00 0.00 H new ATOM 1046 N GLY A 67 57.271 -4.068 -2.861 1.00 0.00 N ATOM 1047 CA GLY A 67 58.610 -4.478 -2.354 1.00 0.00 C ATOM 1048 C GLY A 67 59.372 -5.225 -3.454 1.00 0.00 C ATOM 1049 O GLY A 67 60.179 -6.092 -3.184 1.00 0.00 O ATOM 0 H GLY A 67 57.220 -3.122 -3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 67 59.175 -3.600 -2.039 1.00 0.00 H new ATOM 0 HA3 GLY A 67 58.498 -5.117 -1.478 1.00 0.00 H new ATOM 1053 N ILE A 68 59.120 -4.896 -4.694 1.00 0.00 N ATOM 1054 CA ILE A 68 59.828 -5.588 -5.812 1.00 0.00 C ATOM 1055 C ILE A 68 60.191 -4.570 -6.895 1.00 0.00 C ATOM 1056 O ILE A 68 59.797 -3.424 -6.833 1.00 0.00 O ATOM 1057 CB ILE A 68 58.914 -6.659 -6.410 1.00 0.00 C ATOM 1058 CG1 ILE A 68 57.622 -6.004 -6.905 1.00 0.00 C ATOM 1059 CG2 ILE A 68 58.578 -7.701 -5.341 1.00 0.00 C ATOM 1060 CD1 ILE A 68 57.645 -5.919 -8.432 1.00 0.00 C ATOM 0 H ILE A 68 58.455 -4.178 -4.981 1.00 0.00 H new ATOM 0 HA ILE A 68 60.736 -6.055 -5.431 1.00 0.00 H new ATOM 0 HB ILE A 68 59.421 -7.145 -7.243 1.00 0.00 H new ATOM 0 HG12 ILE A 68 56.759 -6.583 -6.575 1.00 0.00 H new ATOM 0 HG13 ILE A 68 57.520 -5.007 -6.476 1.00 0.00 H new ATOM 0 HG21 ILE A 68 57.927 -8.464 -5.768 1.00 0.00 H new ATOM 0 HG22 ILE A 68 59.497 -8.167 -4.985 1.00 0.00 H new ATOM 0 HG23 ILE A 68 58.070 -7.216 -4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 68 56.725 -5.453 -8.784 1.00 0.00 H new ATOM 0 HD12 ILE A 68 58.500 -5.322 -8.750 1.00 0.00 H new ATOM 0 HD13 ILE A 68 57.727 -6.922 -8.851 1.00 0.00 H new ATOM 1072 N LEU A 69 60.937 -4.981 -7.887 1.00 0.00 N ATOM 1073 CA LEU A 69 61.327 -4.040 -8.976 1.00 0.00 C ATOM 1074 C LEU A 69 61.512 -4.819 -10.279 1.00 0.00 C ATOM 1075 O LEU A 69 61.155 -5.977 -10.379 1.00 0.00 O ATOM 1076 CB LEU A 69 62.646 -3.355 -8.612 1.00 0.00 C ATOM 1077 CG LEU A 69 63.735 -4.413 -8.436 1.00 0.00 C ATOM 1078 CD1 LEU A 69 65.078 -3.849 -8.905 1.00 0.00 C ATOM 1079 CD2 LEU A 69 63.834 -4.798 -6.960 1.00 0.00 C ATOM 0 H LEU A 69 61.294 -5.931 -7.989 1.00 0.00 H new ATOM 0 HA LEU A 69 60.546 -3.290 -9.102 1.00 0.00 H new ATOM 0 HB2 LEU A 69 62.931 -2.651 -9.394 1.00 0.00 H new ATOM 0 HB3 LEU A 69 62.529 -2.781 -7.693 1.00 0.00 H new ATOM 0 HG LEU A 69 63.485 -5.293 -9.028 1.00 0.00 H new ATOM 0 HD11 LEU A 69 65.854 -4.604 -8.779 1.00 0.00 H new ATOM 0 HD12 LEU A 69 65.009 -3.572 -9.957 1.00 0.00 H new ATOM 0 HD13 LEU A 69 65.329 -2.969 -8.314 1.00 0.00 H new ATOM 0 HD21 LEU A 69 64.610 -5.553 -6.832 1.00 0.00 H new ATOM 0 HD22 LEU A 69 64.084 -3.916 -6.370 1.00 0.00 H new ATOM 0 HD23 LEU A 69 62.878 -5.200 -6.624 1.00 0.00 H new ATOM 1091 N CYS A 70 62.074 -4.196 -11.278 1.00 0.00 N ATOM 1092 CA CYS A 70 62.288 -4.902 -12.572 1.00 0.00 C ATOM 1093 C CYS A 70 63.475 -4.271 -13.304 1.00 0.00 C ATOM 1094 O CYS A 70 63.784 -3.111 -13.120 1.00 0.00 O ATOM 1095 CB CYS A 70 61.031 -4.781 -13.436 1.00 0.00 C ATOM 1096 SG CYS A 70 60.172 -6.374 -13.482 1.00 0.00 S ATOM 0 H CYS A 70 62.394 -3.228 -11.254 1.00 0.00 H new ATOM 0 HA CYS A 70 62.495 -5.955 -12.382 1.00 0.00 H new ATOM 0 HB2 CYS A 70 60.372 -4.012 -13.032 1.00 0.00 H new ATOM 0 HB3 CYS A 70 61.300 -4.472 -14.446 1.00 0.00 H new ATOM 0 HG CYS A 70 60.203 -6.918 -12.302 1.00 0.00 H new