USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 554 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 65 SER OG : rot -64:sc= 1.02 USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= -0.53 USER MOD Set 2.1: A 52 SER OG : rot 109:sc= 0.415 USER MOD Set 2.2: A 55 SER OG : rot 41:sc= 0.677 USER MOD Set 3.1: A 53 THR OG1 : rot 180:sc= -0.266 USER MOD Set 3.2: A 70 THR OG1 : rot 180:sc=-0.00348 USER MOD Set 4.1: A 12 SER OG : rot 140:sc= -0.586! USER MOD Set 4.2: A 14 ASN : amide:sc= -1.86 K(o=-2.4,f=-11!) USER MOD Single : A 10 GLN : amide:sc= -0.434 X(o=-0.43,f=-0.92) USER MOD Single : A 15 SER OG : rot -88:sc= -4.87! USER MOD Single : A 16 LYS NZ :NH3+ 142:sc= -0.0469 (180deg=-0.747) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -170:sc= -0.405 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0261 USER MOD Single : A 23 THR OG1 : rot -13:sc= 0.569 USER MOD Single : A 24 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.026) USER MOD Single : A 26 TYR OH : rot 1:sc= 0.337 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 77:sc= -3.48! USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 3:sc=-0.00309 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 160:sc= -1.83! USER MOD Single : A 46 THR OG1 : rot -74:sc= 0.836 USER MOD Single : A 48 THR OG1 : rot 180:sc= -1.97! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 13:sc= 0.405 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00446 USER MOD Single : A 58 SER OG : rot -161:sc= -2.84 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -120:sc= -1.89! USER MOD Single : A 81 LYS NZ :NH3+ -155:sc= -2.25! (180deg=-3.49!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -49:sc= 0.598 USER MOD Single : A 90 ASN : amide:sc= -10.4! C(o=-10!,f=-20!) USER MOD ----------------------------------------------------------------- ATOM 110 N GLN A 10 50.196 -1.656 -4.836 1.00 0.00 N ATOM 111 CA GLN A 10 49.694 -2.845 -4.100 1.00 0.00 C ATOM 112 C GLN A 10 50.000 -2.691 -2.612 1.00 0.00 C ATOM 113 O GLN A 10 50.255 -3.653 -1.915 1.00 0.00 O ATOM 114 CB GLN A 10 50.452 -4.034 -4.685 1.00 0.00 C ATOM 115 CG GLN A 10 49.477 -5.190 -4.888 1.00 0.00 C ATOM 116 CD GLN A 10 50.211 -6.378 -5.511 1.00 0.00 C ATOM 117 OE1 GLN A 10 50.309 -7.430 -4.909 1.00 0.00 O ATOM 118 NE2 GLN A 10 50.734 -6.256 -6.700 1.00 0.00 N ATOM 0 HA GLN A 10 48.616 -2.972 -4.200 1.00 0.00 H new ATOM 0 HB2 GLN A 10 50.912 -3.758 -5.634 1.00 0.00 H new ATOM 0 HB3 GLN A 10 51.258 -4.334 -4.015 1.00 0.00 H new ATOM 0 HG2 GLN A 10 49.038 -5.481 -3.933 1.00 0.00 H new ATOM 0 HG3 GLN A 10 48.656 -4.878 -5.534 1.00 0.00 H new ATOM 0 HE21 GLN A 10 50.652 -5.374 -7.205 1.00 0.00 H new ATOM 0 HE22 GLN A 10 51.225 -7.043 -7.124 1.00 0.00 H new ATOM 127 N LEU A 11 49.978 -1.484 -2.123 1.00 0.00 N ATOM 128 CA LEU A 11 50.269 -1.263 -0.680 1.00 0.00 C ATOM 129 C LEU A 11 49.457 -2.240 0.170 1.00 0.00 C ATOM 130 O LEU A 11 48.244 -2.177 0.210 1.00 0.00 O ATOM 131 CB LEU A 11 49.839 0.178 -0.397 1.00 0.00 C ATOM 132 CG LEU A 11 50.943 1.154 -0.818 1.00 0.00 C ATOM 133 CD1 LEU A 11 52.295 0.681 -0.283 1.00 0.00 C ATOM 134 CD2 LEU A 11 51.001 1.230 -2.344 1.00 0.00 C ATOM 0 H LEU A 11 49.771 -0.641 -2.659 1.00 0.00 H new ATOM 0 HA LEU A 11 51.320 -1.424 -0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 11 48.919 0.403 -0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 11 49.623 0.299 0.665 1.00 0.00 H new ATOM 0 HG LEU A 11 50.721 2.139 -0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 11 53.072 1.382 -0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 11 52.258 0.631 0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 11 52.520 -0.307 -0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 11 51.786 1.924 -2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 11 51.216 0.241 -2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 11 50.042 1.579 -2.728 1.00 0.00 H new ATOM 146 N SER A 12 50.125 -3.142 0.837 1.00 0.00 N ATOM 147 CA SER A 12 49.419 -4.146 1.694 1.00 0.00 C ATOM 148 C SER A 12 48.151 -3.544 2.312 1.00 0.00 C ATOM 149 O SER A 12 47.048 -3.939 1.987 1.00 0.00 O ATOM 150 CB SER A 12 50.424 -4.504 2.786 1.00 0.00 C ATOM 151 OG SER A 12 50.532 -3.419 3.698 1.00 0.00 O ATOM 0 H SER A 12 51.141 -3.229 0.826 1.00 0.00 H new ATOM 0 HA SER A 12 49.101 -5.017 1.121 1.00 0.00 H new ATOM 0 HB2 SER A 12 50.104 -5.404 3.310 1.00 0.00 H new ATOM 0 HB3 SER A 12 51.397 -4.721 2.344 1.00 0.00 H new ATOM 0 HG SER A 12 50.592 -3.765 4.613 1.00 0.00 H new ATOM 157 N ALA A 13 48.294 -2.593 3.196 1.00 0.00 N ATOM 158 CA ALA A 13 47.087 -1.977 3.822 1.00 0.00 C ATOM 159 C ALA A 13 47.491 -0.891 4.824 1.00 0.00 C ATOM 160 O ALA A 13 46.796 0.090 5.001 1.00 0.00 O ATOM 161 CB ALA A 13 46.380 -3.129 4.535 1.00 0.00 C ATOM 0 H ALA A 13 49.189 -2.217 3.511 1.00 0.00 H new ATOM 0 HA ALA A 13 46.445 -1.495 3.084 1.00 0.00 H new ATOM 0 HB1 ALA A 13 45.479 -2.757 5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 13 46.110 -3.895 3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 13 47.047 -3.558 5.283 1.00 0.00 H new ATOM 167 N ASN A 14 48.605 -1.057 5.484 1.00 0.00 N ATOM 168 CA ASN A 14 49.040 -0.030 6.474 1.00 0.00 C ATOM 169 C ASN A 14 50.326 0.653 6.003 1.00 0.00 C ATOM 170 O ASN A 14 51.003 1.317 6.764 1.00 0.00 O ATOM 171 CB ASN A 14 49.288 -0.807 7.767 1.00 0.00 C ATOM 172 CG ASN A 14 50.116 -2.057 7.463 1.00 0.00 C ATOM 173 OD1 ASN A 14 50.794 -2.120 6.456 1.00 0.00 O ATOM 174 ND2 ASN A 14 50.092 -3.059 8.298 1.00 0.00 N ATOM 0 H ASN A 14 49.231 -1.856 5.381 1.00 0.00 H new ATOM 0 HA ASN A 14 48.296 0.756 6.606 1.00 0.00 H new ATOM 0 HB2 ASN A 14 49.812 -0.178 8.487 1.00 0.00 H new ATOM 0 HB3 ASN A 14 48.338 -1.089 8.222 1.00 0.00 H new ATOM 0 HD21 ASN A 14 50.642 -3.896 8.106 1.00 0.00 H new ATOM 0 HD22 ASN A 14 49.523 -3.005 9.143 1.00 0.00 H new ATOM 181 N SER A 15 50.667 0.500 4.755 1.00 0.00 N ATOM 182 CA SER A 15 51.909 1.143 4.237 1.00 0.00 C ATOM 183 C SER A 15 51.747 2.664 4.210 1.00 0.00 C ATOM 184 O SER A 15 50.780 3.206 4.710 1.00 0.00 O ATOM 185 CB SER A 15 52.074 0.602 2.819 1.00 0.00 C ATOM 186 OG SER A 15 53.017 1.405 2.123 1.00 0.00 O ATOM 0 H SER A 15 50.141 -0.042 4.070 1.00 0.00 H new ATOM 0 HA SER A 15 52.775 0.925 4.862 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.411 -0.434 2.848 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.116 0.611 2.299 1.00 0.00 H new ATOM 0 HG SER A 15 52.555 2.158 1.698 1.00 0.00 H new ATOM 192 N LYS A 16 52.685 3.356 3.623 1.00 0.00 N ATOM 193 CA LYS A 16 52.587 4.841 3.555 1.00 0.00 C ATOM 194 C LYS A 16 53.149 5.342 2.221 1.00 0.00 C ATOM 195 O LYS A 16 54.123 4.822 1.714 1.00 0.00 O ATOM 196 CB LYS A 16 53.437 5.352 4.720 1.00 0.00 C ATOM 197 CG LYS A 16 52.677 6.454 5.460 1.00 0.00 C ATOM 198 CD LYS A 16 53.587 7.671 5.639 1.00 0.00 C ATOM 199 CE LYS A 16 52.824 8.775 6.375 1.00 0.00 C ATOM 200 NZ LYS A 16 52.653 8.263 7.763 1.00 0.00 N ATOM 0 H LYS A 16 53.516 2.956 3.187 1.00 0.00 H new ATOM 0 HA LYS A 16 51.557 5.191 3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 16 53.668 4.534 5.402 1.00 0.00 H new ATOM 0 HB3 LYS A 16 54.387 5.736 4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 16 51.784 6.733 4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 16 52.343 6.090 6.432 1.00 0.00 H new ATOM 0 HD2 LYS A 16 54.478 7.393 6.202 1.00 0.00 H new ATOM 0 HD3 LYS A 16 53.924 8.033 4.667 1.00 0.00 H new ATOM 0 HE2 LYS A 16 53.379 9.713 6.366 1.00 0.00 H new ATOM 0 HE3 LYS A 16 51.860 8.970 5.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 52.761 9.047 8.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 51.705 7.847 7.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 53.373 7.538 7.957 1.00 0.00 H new ATOM 214 N CYS A 17 52.542 6.345 1.651 1.00 0.00 N ATOM 215 CA CYS A 17 53.040 6.877 0.350 1.00 0.00 C ATOM 216 C CYS A 17 52.653 8.350 0.203 1.00 0.00 C ATOM 217 O CYS A 17 51.502 8.715 0.338 1.00 0.00 O ATOM 218 CB CYS A 17 52.346 6.028 -0.716 1.00 0.00 C ATOM 219 SG CYS A 17 53.546 5.552 -1.985 1.00 0.00 S ATOM 0 H CYS A 17 51.722 6.820 2.029 1.00 0.00 H new ATOM 0 HA CYS A 17 54.126 6.824 0.267 1.00 0.00 H new ATOM 0 HB2 CYS A 17 51.910 5.139 -0.261 1.00 0.00 H new ATOM 0 HB3 CYS A 17 51.527 6.589 -1.167 1.00 0.00 H new ATOM 0 HG CYS A 17 52.957 4.828 -2.890 1.00 0.00 H new ATOM 224 N GLU A 18 53.606 9.200 -0.069 1.00 0.00 N ATOM 225 CA GLU A 18 53.289 10.648 -0.217 1.00 0.00 C ATOM 226 C GLU A 18 53.805 11.173 -1.560 1.00 0.00 C ATOM 227 O GLU A 18 53.080 11.788 -2.317 1.00 0.00 O ATOM 228 CB GLU A 18 54.016 11.332 0.941 1.00 0.00 C ATOM 229 CG GLU A 18 53.033 11.582 2.085 1.00 0.00 C ATOM 230 CD GLU A 18 52.377 12.952 1.904 1.00 0.00 C ATOM 231 OE1 GLU A 18 52.739 13.639 0.963 1.00 0.00 O ATOM 232 OE2 GLU A 18 51.526 13.292 2.708 1.00 0.00 O ATOM 0 H GLU A 18 54.588 8.954 -0.195 1.00 0.00 H new ATOM 0 HA GLU A 18 52.216 10.838 -0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 18 54.840 10.708 1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 18 54.448 12.275 0.606 1.00 0.00 H new ATOM 0 HG2 GLU A 18 52.272 10.802 2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 18 53.554 11.540 3.042 1.00 0.00 H new ATOM 239 N LYS A 19 55.055 10.941 -1.860 1.00 0.00 N ATOM 240 CA LYS A 19 55.612 11.434 -3.153 1.00 0.00 C ATOM 241 C LYS A 19 56.907 10.692 -3.493 1.00 0.00 C ATOM 242 O LYS A 19 57.940 11.296 -3.710 1.00 0.00 O ATOM 243 CB LYS A 19 55.892 12.918 -2.922 1.00 0.00 C ATOM 244 CG LYS A 19 56.946 13.071 -1.823 1.00 0.00 C ATOM 245 CD LYS A 19 57.916 14.192 -2.198 1.00 0.00 C ATOM 246 CE LYS A 19 57.306 15.543 -1.818 1.00 0.00 C ATOM 247 NZ LYS A 19 57.458 16.389 -3.034 1.00 0.00 N ATOM 0 H LYS A 19 55.712 10.433 -1.268 1.00 0.00 H new ATOM 0 HA LYS A 19 54.927 11.271 -3.985 1.00 0.00 H new ATOM 0 HB2 LYS A 19 56.242 13.381 -3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 19 54.975 13.432 -2.636 1.00 0.00 H new ATOM 0 HG2 LYS A 19 56.464 13.296 -0.871 1.00 0.00 H new ATOM 0 HG3 LYS A 19 57.489 12.135 -1.692 1.00 0.00 H new ATOM 0 HD2 LYS A 19 58.866 14.052 -1.683 1.00 0.00 H new ATOM 0 HD3 LYS A 19 58.126 14.163 -3.267 1.00 0.00 H new ATOM 0 HE2 LYS A 19 56.258 15.438 -1.538 1.00 0.00 H new ATOM 0 HE3 LYS A 19 57.821 15.983 -0.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 57.062 17.333 -2.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 58.467 16.476 -3.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 56.952 15.949 -3.829 1.00 0.00 H new ATOM 261 N SER A 20 56.862 9.389 -3.544 1.00 0.00 N ATOM 262 CA SER A 20 58.092 8.614 -3.873 1.00 0.00 C ATOM 263 C SER A 20 58.056 8.168 -5.338 1.00 0.00 C ATOM 264 O SER A 20 57.197 8.570 -6.098 1.00 0.00 O ATOM 265 CB SER A 20 58.061 7.403 -2.943 1.00 0.00 C ATOM 266 OG SER A 20 57.137 6.447 -3.447 1.00 0.00 O ATOM 0 H SER A 20 56.028 8.828 -3.372 1.00 0.00 H new ATOM 0 HA SER A 20 58.999 9.203 -3.741 1.00 0.00 H new ATOM 0 HB2 SER A 20 59.055 6.961 -2.869 1.00 0.00 H new ATOM 0 HB3 SER A 20 57.773 7.709 -1.937 1.00 0.00 H new ATOM 0 HG SER A 20 56.996 5.745 -2.778 1.00 0.00 H new ATOM 272 N THR A 21 58.981 7.341 -5.740 1.00 0.00 N ATOM 273 CA THR A 21 58.997 6.871 -7.155 1.00 0.00 C ATOM 274 C THR A 21 59.240 5.360 -7.204 1.00 0.00 C ATOM 275 O THR A 21 60.239 4.898 -7.717 1.00 0.00 O ATOM 276 CB THR A 21 60.156 7.626 -7.809 1.00 0.00 C ATOM 277 OG1 THR A 21 60.166 8.969 -7.345 1.00 0.00 O ATOM 278 CG2 THR A 21 59.986 7.611 -9.329 1.00 0.00 C ATOM 0 H THR A 21 59.726 6.970 -5.151 1.00 0.00 H new ATOM 0 HA THR A 21 58.052 7.057 -7.666 1.00 0.00 H new ATOM 0 HB THR A 21 61.097 7.143 -7.547 1.00 0.00 H new ATOM 0 HG1 THR A 21 60.909 9.454 -7.762 1.00 0.00 H new ATOM 0 HG21 THR A 21 60.813 8.149 -9.793 1.00 0.00 H new ATOM 0 HG22 THR A 21 59.979 6.581 -9.684 1.00 0.00 H new ATOM 0 HG23 THR A 21 59.045 8.093 -9.595 1.00 0.00 H new ATOM 286 N LEU A 22 58.332 4.589 -6.670 1.00 0.00 N ATOM 287 CA LEU A 22 58.509 3.108 -6.680 1.00 0.00 C ATOM 288 C LEU A 22 58.147 2.533 -8.052 1.00 0.00 C ATOM 289 O LEU A 22 57.785 3.252 -8.962 1.00 0.00 O ATOM 290 CB LEU A 22 57.542 2.584 -5.613 1.00 0.00 C ATOM 291 CG LEU A 22 57.601 3.464 -4.359 1.00 0.00 C ATOM 292 CD1 LEU A 22 57.083 2.663 -3.164 1.00 0.00 C ATOM 293 CD2 LEU A 22 59.044 3.897 -4.082 1.00 0.00 C ATOM 0 H LEU A 22 57.475 4.920 -6.227 1.00 0.00 H new ATOM 0 HA LEU A 22 59.541 2.820 -6.478 1.00 0.00 H new ATOM 0 HB2 LEU A 22 56.526 2.571 -6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 22 57.797 1.556 -5.356 1.00 0.00 H new ATOM 0 HG LEU A 22 56.987 4.351 -4.516 1.00 0.00 H new ATOM 0 HD11 LEU A 22 57.121 3.281 -2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 22 56.054 2.357 -3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 22 57.704 1.779 -3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 22 59.071 4.521 -3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 22 59.665 3.015 -3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 22 59.424 4.463 -4.932 1.00 0.00 H new ATOM 305 N THR A 23 58.236 1.239 -8.202 1.00 0.00 N ATOM 306 CA THR A 23 57.892 0.610 -9.511 1.00 0.00 C ATOM 307 C THR A 23 57.695 -0.898 -9.333 1.00 0.00 C ATOM 308 O THR A 23 58.594 -1.609 -8.930 1.00 0.00 O ATOM 309 CB THR A 23 59.091 0.888 -10.417 1.00 0.00 C ATOM 310 OG1 THR A 23 59.149 2.280 -10.708 1.00 0.00 O ATOM 311 CG2 THR A 23 58.944 0.088 -11.715 1.00 0.00 C ATOM 0 H THR A 23 58.532 0.589 -7.474 1.00 0.00 H new ATOM 0 HA THR A 23 56.967 1.008 -9.929 1.00 0.00 H new ATOM 0 HB THR A 23 60.011 0.588 -9.914 1.00 0.00 H new ATOM 0 HG1 THR A 23 58.306 2.705 -10.445 1.00 0.00 H new ATOM 0 HG21 THR A 23 59.798 0.285 -12.363 1.00 0.00 H new ATOM 0 HG22 THR A 23 58.902 -0.976 -11.484 1.00 0.00 H new ATOM 0 HG23 THR A 23 58.027 0.385 -12.224 1.00 0.00 H new ATOM 319 N ASN A 24 56.524 -1.391 -9.626 1.00 0.00 N ATOM 320 CA ASN A 24 56.269 -2.851 -9.470 1.00 0.00 C ATOM 321 C ASN A 24 56.530 -3.273 -8.023 1.00 0.00 C ATOM 322 O ASN A 24 57.176 -4.268 -7.764 1.00 0.00 O ATOM 323 CB ASN A 24 57.260 -3.536 -10.412 1.00 0.00 C ATOM 324 CG ASN A 24 56.587 -3.793 -11.762 1.00 0.00 C ATOM 325 OD1 ASN A 24 57.083 -3.377 -12.789 1.00 0.00 O ATOM 326 ND2 ASN A 24 55.469 -4.464 -11.802 1.00 0.00 N ATOM 0 H ASN A 24 55.732 -0.846 -9.967 1.00 0.00 H new ATOM 0 HA ASN A 24 55.238 -3.117 -9.705 1.00 0.00 H new ATOM 0 HB2 ASN A 24 58.142 -2.910 -10.547 1.00 0.00 H new ATOM 0 HB3 ASN A 24 57.600 -4.476 -9.978 1.00 0.00 H new ATOM 0 HD21 ASN A 24 55.011 -4.639 -12.696 1.00 0.00 H new ATOM 0 HD22 ASN A 24 55.053 -4.813 -10.939 1.00 0.00 H new ATOM 333 N CYS A 25 56.038 -2.520 -7.079 1.00 0.00 N ATOM 334 CA CYS A 25 56.268 -2.878 -5.653 1.00 0.00 C ATOM 335 C CYS A 25 54.994 -3.443 -5.023 1.00 0.00 C ATOM 336 O CYS A 25 54.121 -3.958 -5.692 1.00 0.00 O ATOM 337 CB CYS A 25 56.653 -1.567 -4.960 1.00 0.00 C ATOM 338 SG CYS A 25 58.292 -1.735 -4.207 1.00 0.00 S ATOM 0 H CYS A 25 55.488 -1.675 -7.233 1.00 0.00 H new ATOM 0 HA CYS A 25 57.040 -3.641 -5.554 1.00 0.00 H new ATOM 0 HB2 CYS A 25 56.655 -0.750 -5.681 1.00 0.00 H new ATOM 0 HB3 CYS A 25 55.915 -1.317 -4.197 1.00 0.00 H new ATOM 343 N TYR A 26 54.898 -3.333 -3.732 1.00 0.00 N ATOM 344 CA TYR A 26 53.708 -3.835 -2.998 1.00 0.00 C ATOM 345 C TYR A 26 53.774 -3.276 -1.582 1.00 0.00 C ATOM 346 O TYR A 26 52.794 -2.830 -1.021 1.00 0.00 O ATOM 347 CB TYR A 26 53.850 -5.359 -3.001 1.00 0.00 C ATOM 348 CG TYR A 26 52.984 -5.954 -1.916 1.00 0.00 C ATOM 349 CD1 TYR A 26 53.452 -6.008 -0.598 1.00 0.00 C ATOM 350 CD2 TYR A 26 51.715 -6.454 -2.230 1.00 0.00 C ATOM 351 CE1 TYR A 26 52.650 -6.564 0.406 1.00 0.00 C ATOM 352 CE2 TYR A 26 50.913 -7.008 -1.225 1.00 0.00 C ATOM 353 CZ TYR A 26 51.381 -7.064 0.093 1.00 0.00 C ATOM 354 OH TYR A 26 50.591 -7.611 1.083 1.00 0.00 O ATOM 0 H TYR A 26 55.611 -2.906 -3.141 1.00 0.00 H new ATOM 0 HA TYR A 26 52.756 -3.539 -3.438 1.00 0.00 H new ATOM 0 HB2 TYR A 26 53.559 -5.759 -3.972 1.00 0.00 H new ATOM 0 HB3 TYR A 26 54.892 -5.637 -2.841 1.00 0.00 H new ATOM 0 HD1 TYR A 26 54.431 -5.621 -0.356 1.00 0.00 H new ATOM 0 HD2 TYR A 26 51.355 -6.412 -3.247 1.00 0.00 H new ATOM 0 HE1 TYR A 26 53.011 -6.607 1.423 1.00 0.00 H new ATOM 0 HE2 TYR A 26 49.933 -7.392 -1.467 1.00 0.00 H new ATOM 0 HH TYR A 26 51.059 -7.556 1.942 1.00 0.00 H new ATOM 364 N VAL A 27 54.955 -3.266 -1.031 1.00 0.00 N ATOM 365 CA VAL A 27 55.164 -2.705 0.330 1.00 0.00 C ATOM 366 C VAL A 27 54.235 -3.354 1.361 1.00 0.00 C ATOM 367 O VAL A 27 53.134 -3.769 1.063 1.00 0.00 O ATOM 368 CB VAL A 27 54.854 -1.218 0.181 1.00 0.00 C ATOM 369 CG1 VAL A 27 55.317 -0.474 1.437 1.00 0.00 C ATOM 370 CG2 VAL A 27 55.591 -0.666 -1.051 1.00 0.00 C ATOM 0 H VAL A 27 55.798 -3.630 -1.475 1.00 0.00 H new ATOM 0 HA VAL A 27 56.175 -2.890 0.692 1.00 0.00 H new ATOM 0 HB VAL A 27 53.781 -1.077 0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 27 55.097 0.588 1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 27 54.794 -0.869 2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 27 56.391 -0.611 1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 27 55.372 0.396 -1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 27 56.665 -0.804 -0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 27 55.259 -1.199 -1.942 1.00 0.00 H new ATOM 380 N ASP A 28 54.689 -3.430 2.580 1.00 0.00 N ATOM 381 CA ASP A 28 53.866 -4.032 3.668 1.00 0.00 C ATOM 382 C ASP A 28 54.342 -3.482 5.013 1.00 0.00 C ATOM 383 O ASP A 28 55.499 -3.602 5.365 1.00 0.00 O ATOM 384 CB ASP A 28 54.119 -5.537 3.577 1.00 0.00 C ATOM 385 CG ASP A 28 52.909 -6.294 4.129 1.00 0.00 C ATOM 386 OD1 ASP A 28 52.471 -5.956 5.216 1.00 0.00 O ATOM 387 OD2 ASP A 28 52.443 -7.197 3.456 1.00 0.00 O ATOM 0 H ASP A 28 55.607 -3.097 2.874 1.00 0.00 H new ATOM 0 HA ASP A 28 52.804 -3.804 3.575 1.00 0.00 H new ATOM 0 HB2 ASP A 28 54.299 -5.824 2.541 1.00 0.00 H new ATOM 0 HB3 ASP A 28 55.014 -5.801 4.141 1.00 0.00 H new ATOM 392 N LYS A 29 53.473 -2.867 5.766 1.00 0.00 N ATOM 393 CA LYS A 29 53.905 -2.303 7.076 1.00 0.00 C ATOM 394 C LYS A 29 55.170 -1.463 6.879 1.00 0.00 C ATOM 395 O LYS A 29 56.181 -1.688 7.512 1.00 0.00 O ATOM 396 CB LYS A 29 54.200 -3.519 7.956 1.00 0.00 C ATOM 397 CG LYS A 29 52.920 -4.334 8.151 1.00 0.00 C ATOM 398 CD LYS A 29 53.281 -5.758 8.578 1.00 0.00 C ATOM 399 CE LYS A 29 53.495 -5.801 10.093 1.00 0.00 C ATOM 400 NZ LYS A 29 52.218 -6.329 10.649 1.00 0.00 N ATOM 0 H LYS A 29 52.489 -2.731 5.534 1.00 0.00 H new ATOM 0 HA LYS A 29 53.150 -1.656 7.524 1.00 0.00 H new ATOM 0 HB2 LYS A 29 54.970 -4.137 7.494 1.00 0.00 H new ATOM 0 HB3 LYS A 29 54.588 -3.196 8.922 1.00 0.00 H new ATOM 0 HG2 LYS A 29 52.290 -3.865 8.907 1.00 0.00 H new ATOM 0 HG3 LYS A 29 52.345 -4.355 7.225 1.00 0.00 H new ATOM 0 HD2 LYS A 29 52.485 -6.447 8.293 1.00 0.00 H new ATOM 0 HD3 LYS A 29 54.185 -6.085 8.063 1.00 0.00 H new ATOM 0 HE2 LYS A 29 54.335 -6.444 10.355 1.00 0.00 H new ATOM 0 HE3 LYS A 29 53.717 -4.810 10.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 52.288 -6.387 11.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 51.437 -5.693 10.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 52.036 -7.276 10.261 1.00 0.00 H new ATOM 414 N SER A 30 55.126 -0.501 5.998 1.00 0.00 N ATOM 415 CA SER A 30 56.332 0.344 5.757 1.00 0.00 C ATOM 416 C SER A 30 55.924 1.796 5.498 1.00 0.00 C ATOM 417 O SER A 30 54.765 2.151 5.586 1.00 0.00 O ATOM 418 CB SER A 30 56.989 -0.256 4.515 1.00 0.00 C ATOM 419 OG SER A 30 57.558 -1.516 4.849 1.00 0.00 O ATOM 0 H SER A 30 54.309 -0.263 5.435 1.00 0.00 H new ATOM 0 HA SER A 30 57.005 0.355 6.614 1.00 0.00 H new ATOM 0 HB2 SER A 30 56.252 -0.375 3.721 1.00 0.00 H new ATOM 0 HB3 SER A 30 57.760 0.415 4.136 1.00 0.00 H new ATOM 0 HG SER A 30 56.848 -2.188 4.917 1.00 0.00 H new ATOM 425 N GLU A 31 56.870 2.641 5.183 1.00 0.00 N ATOM 426 CA GLU A 31 56.536 4.071 4.923 1.00 0.00 C ATOM 427 C GLU A 31 57.117 4.525 3.580 1.00 0.00 C ATOM 428 O GLU A 31 56.394 4.817 2.649 1.00 0.00 O ATOM 429 CB GLU A 31 57.183 4.843 6.075 1.00 0.00 C ATOM 430 CG GLU A 31 56.213 4.905 7.257 1.00 0.00 C ATOM 431 CD GLU A 31 57.004 4.996 8.564 1.00 0.00 C ATOM 432 OE1 GLU A 31 57.342 6.102 8.952 1.00 0.00 O ATOM 433 OE2 GLU A 31 57.256 3.958 9.154 1.00 0.00 O ATOM 0 H GLU A 31 57.858 2.403 5.095 1.00 0.00 H new ATOM 0 HA GLU A 31 55.460 4.237 4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 31 58.110 4.356 6.377 1.00 0.00 H new ATOM 0 HB3 GLU A 31 57.443 5.851 5.751 1.00 0.00 H new ATOM 0 HG2 GLU A 31 55.556 5.769 7.157 1.00 0.00 H new ATOM 0 HG3 GLU A 31 55.577 4.020 7.266 1.00 0.00 H new ATOM 440 N VAL A 32 58.417 4.592 3.474 1.00 0.00 N ATOM 441 CA VAL A 32 59.042 5.034 2.192 1.00 0.00 C ATOM 442 C VAL A 32 58.636 6.473 1.873 1.00 0.00 C ATOM 443 O VAL A 32 57.601 6.947 2.300 1.00 0.00 O ATOM 444 CB VAL A 32 58.508 4.072 1.132 1.00 0.00 C ATOM 445 CG1 VAL A 32 59.330 4.223 -0.149 1.00 0.00 C ATOM 446 CG2 VAL A 32 58.627 2.636 1.644 1.00 0.00 C ATOM 0 H VAL A 32 59.074 4.360 4.219 1.00 0.00 H new ATOM 0 HA VAL A 32 60.131 5.018 2.238 1.00 0.00 H new ATOM 0 HB VAL A 32 57.462 4.300 0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 32 58.951 3.538 -0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 32 59.251 5.247 -0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 32 60.375 3.992 0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 32 58.246 1.948 0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 32 59.673 2.408 1.848 1.00 0.00 H new ATOM 0 HG23 VAL A 32 58.046 2.527 2.560 1.00 0.00 H new ATOM 456 N TYR A 33 59.448 7.176 1.130 1.00 0.00 N ATOM 457 CA TYR A 33 59.114 8.588 0.789 1.00 0.00 C ATOM 458 C TYR A 33 59.707 8.959 -0.574 1.00 0.00 C ATOM 459 O TYR A 33 59.068 9.593 -1.388 1.00 0.00 O ATOM 460 CB TYR A 33 59.757 9.422 1.898 1.00 0.00 C ATOM 461 CG TYR A 33 58.814 9.507 3.074 1.00 0.00 C ATOM 462 CD1 TYR A 33 57.863 10.532 3.136 1.00 0.00 C ATOM 463 CD2 TYR A 33 58.892 8.560 4.103 1.00 0.00 C ATOM 464 CE1 TYR A 33 56.989 10.610 4.227 1.00 0.00 C ATOM 465 CE2 TYR A 33 58.017 8.638 5.193 1.00 0.00 C ATOM 466 CZ TYR A 33 57.066 9.663 5.255 1.00 0.00 C ATOM 467 OH TYR A 33 56.204 9.741 6.330 1.00 0.00 O ATOM 0 H TYR A 33 60.328 6.833 0.745 1.00 0.00 H new ATOM 0 HA TYR A 33 58.039 8.755 0.722 1.00 0.00 H new ATOM 0 HB2 TYR A 33 60.700 8.971 2.206 1.00 0.00 H new ATOM 0 HB3 TYR A 33 59.987 10.422 1.529 1.00 0.00 H new ATOM 0 HD1 TYR A 33 57.803 11.262 2.343 1.00 0.00 H new ATOM 0 HD2 TYR A 33 59.627 7.770 4.056 1.00 0.00 H new ATOM 0 HE1 TYR A 33 56.255 11.401 4.275 1.00 0.00 H new ATOM 0 HE2 TYR A 33 58.076 7.907 5.986 1.00 0.00 H new ATOM 0 HH TYR A 33 56.390 9.007 6.953 1.00 0.00 H new ATOM 477 N GLY A 34 60.927 8.568 -0.826 1.00 0.00 N ATOM 478 CA GLY A 34 61.561 8.897 -2.135 1.00 0.00 C ATOM 479 C GLY A 34 62.330 7.679 -2.648 1.00 0.00 C ATOM 480 O GLY A 34 63.272 7.801 -3.405 1.00 0.00 O ATOM 0 H GLY A 34 61.512 8.035 -0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 34 60.799 9.190 -2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.236 9.745 -2.022 1.00 0.00 H new ATOM 484 N THR A 35 61.939 6.505 -2.236 1.00 0.00 N ATOM 485 CA THR A 35 62.650 5.277 -2.696 1.00 0.00 C ATOM 486 C THR A 35 62.339 4.997 -4.169 1.00 0.00 C ATOM 487 O THR A 35 61.286 5.339 -4.668 1.00 0.00 O ATOM 488 CB THR A 35 62.108 4.153 -1.812 1.00 0.00 C ATOM 489 OG1 THR A 35 62.646 4.279 -0.504 1.00 0.00 O ATOM 490 CG2 THR A 35 62.510 2.800 -2.403 1.00 0.00 C ATOM 0 H THR A 35 61.158 6.342 -1.601 1.00 0.00 H new ATOM 0 HA THR A 35 63.733 5.376 -2.617 1.00 0.00 H new ATOM 0 HB THR A 35 61.021 4.219 -1.765 1.00 0.00 H new ATOM 0 HG1 THR A 35 63.204 5.083 -0.456 1.00 0.00 H new ATOM 0 HG21 THR A 35 62.124 1.999 -1.773 1.00 0.00 H new ATOM 0 HG22 THR A 35 62.096 2.704 -3.407 1.00 0.00 H new ATOM 0 HG23 THR A 35 63.597 2.732 -2.451 1.00 0.00 H new ATOM 498 N THR A 36 63.247 4.370 -4.866 1.00 0.00 N ATOM 499 CA THR A 36 63.003 4.060 -6.304 1.00 0.00 C ATOM 500 C THR A 36 62.788 2.554 -6.484 1.00 0.00 C ATOM 501 O THR A 36 63.473 1.907 -7.250 1.00 0.00 O ATOM 502 CB THR A 36 64.270 4.514 -7.032 1.00 0.00 C ATOM 503 OG1 THR A 36 64.522 5.880 -6.732 1.00 0.00 O ATOM 504 CG2 THR A 36 64.083 4.346 -8.541 1.00 0.00 C ATOM 0 H THR A 36 64.148 4.059 -4.502 1.00 0.00 H new ATOM 0 HA THR A 36 62.115 4.559 -6.691 1.00 0.00 H new ATOM 0 HB THR A 36 65.115 3.908 -6.705 1.00 0.00 H new ATOM 0 HG1 THR A 36 65.334 6.172 -7.196 1.00 0.00 H new ATOM 0 HG21 THR A 36 64.986 4.670 -9.058 1.00 0.00 H new ATOM 0 HG22 THR A 36 63.890 3.298 -8.769 1.00 0.00 H new ATOM 0 HG23 THR A 36 63.239 4.951 -8.873 1.00 0.00 H new ATOM 512 N CYS A 37 61.841 1.996 -5.779 1.00 0.00 N ATOM 513 CA CYS A 37 61.573 0.532 -5.898 1.00 0.00 C ATOM 514 C CYS A 37 61.676 0.089 -7.360 1.00 0.00 C ATOM 515 O CYS A 37 61.254 0.785 -8.260 1.00 0.00 O ATOM 516 CB CYS A 37 60.146 0.354 -5.379 1.00 0.00 C ATOM 517 SG CYS A 37 59.579 -1.333 -5.712 1.00 0.00 S ATOM 0 H CYS A 37 61.238 2.493 -5.123 1.00 0.00 H new ATOM 0 HA CYS A 37 62.290 -0.068 -5.338 1.00 0.00 H new ATOM 0 HB2 CYS A 37 60.111 0.555 -4.308 1.00 0.00 H new ATOM 0 HB3 CYS A 37 59.482 1.072 -5.860 1.00 0.00 H new ATOM 522 N THR A 38 62.236 -1.065 -7.601 1.00 0.00 N ATOM 523 CA THR A 38 62.367 -1.554 -9.005 1.00 0.00 C ATOM 524 C THR A 38 61.701 -2.925 -9.144 1.00 0.00 C ATOM 525 O THR A 38 61.887 -3.622 -10.121 1.00 0.00 O ATOM 526 CB THR A 38 63.873 -1.660 -9.249 1.00 0.00 C ATOM 527 OG1 THR A 38 64.464 -0.373 -9.115 1.00 0.00 O ATOM 528 CG2 THR A 38 64.128 -2.199 -10.658 1.00 0.00 C ATOM 0 H THR A 38 62.609 -1.691 -6.887 1.00 0.00 H new ATOM 0 HA THR A 38 61.886 -0.890 -9.724 1.00 0.00 H new ATOM 0 HB THR A 38 64.313 -2.340 -8.520 1.00 0.00 H new ATOM 0 HG1 THR A 38 65.430 -0.439 -9.269 1.00 0.00 H new ATOM 0 HG21 THR A 38 65.202 -2.274 -10.830 1.00 0.00 H new ATOM 0 HG22 THR A 38 63.675 -3.185 -10.758 1.00 0.00 H new ATOM 0 HG23 THR A 38 63.689 -1.522 -11.391 1.00 0.00 H new ATOM 536 N GLY A 39 60.928 -3.313 -8.169 1.00 0.00 N ATOM 537 CA GLY A 39 60.247 -4.633 -8.230 1.00 0.00 C ATOM 538 C GLY A 39 60.527 -5.404 -6.938 1.00 0.00 C ATOM 539 O GLY A 39 60.958 -6.539 -6.959 1.00 0.00 O ATOM 0 H GLY A 39 60.738 -2.768 -7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 39 59.174 -4.496 -8.360 1.00 0.00 H new ATOM 0 HA3 GLY A 39 60.603 -5.200 -9.090 1.00 0.00 H new ATOM 543 N SER A 40 60.285 -4.789 -5.810 1.00 0.00 N ATOM 544 CA SER A 40 60.539 -5.479 -4.511 1.00 0.00 C ATOM 545 C SER A 40 59.358 -5.266 -3.559 1.00 0.00 C ATOM 546 O SER A 40 58.313 -4.784 -3.948 1.00 0.00 O ATOM 547 CB SER A 40 61.799 -4.819 -3.955 1.00 0.00 C ATOM 548 OG SER A 40 62.684 -4.517 -5.027 1.00 0.00 O ATOM 0 H SER A 40 59.922 -3.839 -5.732 1.00 0.00 H new ATOM 0 HA SER A 40 60.660 -6.556 -4.631 1.00 0.00 H new ATOM 0 HB2 SER A 40 61.539 -3.908 -3.416 1.00 0.00 H new ATOM 0 HB3 SER A 40 62.287 -5.483 -3.242 1.00 0.00 H new ATOM 0 HG SER A 40 63.321 -3.830 -4.741 1.00 0.00 H new ATOM 554 N ARG A 41 59.518 -5.622 -2.313 1.00 0.00 N ATOM 555 CA ARG A 41 58.405 -5.441 -1.336 1.00 0.00 C ATOM 556 C ARG A 41 58.968 -5.134 0.056 1.00 0.00 C ATOM 557 O ARG A 41 60.157 -5.231 0.290 1.00 0.00 O ATOM 558 CB ARG A 41 57.661 -6.777 -1.330 1.00 0.00 C ATOM 559 CG ARG A 41 58.489 -7.823 -0.580 1.00 0.00 C ATOM 560 CD ARG A 41 57.905 -8.026 0.821 1.00 0.00 C ATOM 561 NE ARG A 41 58.263 -9.426 1.187 1.00 0.00 N ATOM 562 CZ ARG A 41 57.405 -10.173 1.828 1.00 0.00 C ATOM 563 NH1 ARG A 41 56.148 -10.170 1.477 1.00 0.00 N ATOM 564 NH2 ARG A 41 57.804 -10.923 2.817 1.00 0.00 N ATOM 0 H ARG A 41 60.370 -6.030 -1.929 1.00 0.00 H new ATOM 0 HA ARG A 41 57.751 -4.612 -1.605 1.00 0.00 H new ATOM 0 HB2 ARG A 41 56.687 -6.660 -0.854 1.00 0.00 H new ATOM 0 HB3 ARG A 41 57.479 -7.108 -2.352 1.00 0.00 H new ATOM 0 HG2 ARG A 41 58.486 -8.766 -1.127 1.00 0.00 H new ATOM 0 HG3 ARG A 41 59.527 -7.499 -0.510 1.00 0.00 H new ATOM 0 HD2 ARG A 41 58.324 -7.313 1.531 1.00 0.00 H new ATOM 0 HD3 ARG A 41 56.825 -7.881 0.823 1.00 0.00 H new ATOM 0 HE ARG A 41 59.178 -9.800 0.937 1.00 0.00 H new ATOM 0 HH11 ARG A 41 55.836 -9.584 0.702 1.00 0.00 H new ATOM 0 HH12 ARG A 41 55.477 -10.753 1.977 1.00 0.00 H new ATOM 0 HH21 ARG A 41 58.787 -10.926 3.090 1.00 0.00 H new ATOM 0 HH22 ARG A 41 57.133 -11.506 3.317 1.00 0.00 H new ATOM 578 N PHE A 42 58.124 -4.767 0.981 1.00 0.00 N ATOM 579 CA PHE A 42 58.611 -4.459 2.357 1.00 0.00 C ATOM 580 C PHE A 42 57.760 -5.197 3.394 1.00 0.00 C ATOM 581 O PHE A 42 56.818 -5.887 3.059 1.00 0.00 O ATOM 582 CB PHE A 42 58.449 -2.947 2.509 1.00 0.00 C ATOM 583 CG PHE A 42 59.175 -2.248 1.385 1.00 0.00 C ATOM 584 CD1 PHE A 42 60.459 -2.665 1.013 1.00 0.00 C ATOM 585 CD2 PHE A 42 58.563 -1.183 0.713 1.00 0.00 C ATOM 586 CE1 PHE A 42 61.131 -2.017 -0.030 1.00 0.00 C ATOM 587 CE2 PHE A 42 59.234 -0.536 -0.330 1.00 0.00 C ATOM 588 CZ PHE A 42 60.517 -0.953 -0.701 1.00 0.00 C ATOM 0 H PHE A 42 57.118 -4.667 0.844 1.00 0.00 H new ATOM 0 HA PHE A 42 59.644 -4.773 2.509 1.00 0.00 H new ATOM 0 HB2 PHE A 42 57.392 -2.680 2.495 1.00 0.00 H new ATOM 0 HB3 PHE A 42 58.847 -2.623 3.471 1.00 0.00 H new ATOM 0 HD1 PHE A 42 60.931 -3.487 1.531 1.00 0.00 H new ATOM 0 HD2 PHE A 42 57.573 -0.861 1.000 1.00 0.00 H new ATOM 0 HE1 PHE A 42 62.122 -2.337 -0.317 1.00 0.00 H new ATOM 0 HE2 PHE A 42 58.762 0.285 -0.849 1.00 0.00 H new ATOM 0 HZ PHE A 42 61.034 -0.453 -1.506 1.00 0.00 H new ATOM 598 N ASP A 43 58.084 -5.057 4.649 1.00 0.00 N ATOM 599 CA ASP A 43 57.292 -5.752 5.703 1.00 0.00 C ATOM 600 C ASP A 43 57.687 -5.237 7.087 1.00 0.00 C ATOM 601 O ASP A 43 58.234 -5.959 7.897 1.00 0.00 O ATOM 602 CB ASP A 43 57.648 -7.232 5.558 1.00 0.00 C ATOM 603 CG ASP A 43 56.383 -8.079 5.714 1.00 0.00 C ATOM 604 OD1 ASP A 43 55.742 -7.966 6.747 1.00 0.00 O ATOM 605 OD2 ASP A 43 56.076 -8.825 4.799 1.00 0.00 O ATOM 0 H ASP A 43 58.862 -4.492 4.991 1.00 0.00 H new ATOM 0 HA ASP A 43 56.221 -5.580 5.595 1.00 0.00 H new ATOM 0 HB2 ASP A 43 58.102 -7.414 4.584 1.00 0.00 H new ATOM 0 HB3 ASP A 43 58.383 -7.516 6.311 1.00 0.00 H new ATOM 610 N GLY A 44 57.411 -3.993 7.364 1.00 0.00 N ATOM 611 CA GLY A 44 57.767 -3.434 8.695 1.00 0.00 C ATOM 612 C GLY A 44 59.013 -2.562 8.567 1.00 0.00 C ATOM 613 O GLY A 44 59.958 -2.704 9.315 1.00 0.00 O ATOM 0 H GLY A 44 56.955 -3.341 6.726 1.00 0.00 H new ATOM 0 HA2 GLY A 44 56.938 -2.845 9.087 1.00 0.00 H new ATOM 0 HA3 GLY A 44 57.948 -4.242 9.404 1.00 0.00 H new ATOM 617 N VAL A 45 59.040 -1.665 7.624 1.00 0.00 N ATOM 618 CA VAL A 45 60.254 -0.815 7.473 1.00 0.00 C ATOM 619 C VAL A 45 59.889 0.672 7.504 1.00 0.00 C ATOM 620 O VAL A 45 58.750 1.046 7.698 1.00 0.00 O ATOM 621 CB VAL A 45 60.868 -1.206 6.115 1.00 0.00 C ATOM 622 CG1 VAL A 45 60.601 -2.688 5.830 1.00 0.00 C ATOM 623 CG2 VAL A 45 60.258 -0.358 4.996 1.00 0.00 C ATOM 0 H VAL A 45 58.287 -1.484 6.960 1.00 0.00 H new ATOM 0 HA VAL A 45 60.958 -0.973 8.290 1.00 0.00 H new ATOM 0 HB VAL A 45 61.943 -1.030 6.154 1.00 0.00 H new ATOM 0 HG11 VAL A 45 61.038 -2.958 4.868 1.00 0.00 H new ATOM 0 HG12 VAL A 45 61.049 -3.296 6.616 1.00 0.00 H new ATOM 0 HG13 VAL A 45 59.526 -2.865 5.803 1.00 0.00 H new ATOM 0 HG21 VAL A 45 60.700 -0.643 4.041 1.00 0.00 H new ATOM 0 HG22 VAL A 45 59.181 -0.522 4.961 1.00 0.00 H new ATOM 0 HG23 VAL A 45 60.458 0.696 5.188 1.00 0.00 H new ATOM 633 N THR A 46 60.863 1.510 7.310 1.00 0.00 N ATOM 634 CA THR A 46 60.617 2.977 7.318 1.00 0.00 C ATOM 635 C THR A 46 61.672 3.662 6.452 1.00 0.00 C ATOM 636 O THR A 46 62.389 4.535 6.899 1.00 0.00 O ATOM 637 CB THR A 46 60.772 3.387 8.780 1.00 0.00 C ATOM 638 OG1 THR A 46 59.758 2.763 9.556 1.00 0.00 O ATOM 639 CG2 THR A 46 60.651 4.907 8.904 1.00 0.00 C ATOM 0 H THR A 46 61.832 1.239 7.144 1.00 0.00 H new ATOM 0 HA THR A 46 59.638 3.252 6.924 1.00 0.00 H new ATOM 0 HB THR A 46 61.751 3.074 9.142 1.00 0.00 H new ATOM 0 HG1 THR A 46 58.900 3.207 9.391 1.00 0.00 H new ATOM 0 HG21 THR A 46 60.762 5.197 9.949 1.00 0.00 H new ATOM 0 HG22 THR A 46 61.431 5.384 8.310 1.00 0.00 H new ATOM 0 HG23 THR A 46 59.674 5.225 8.541 1.00 0.00 H new ATOM 647 N ILE A 47 61.787 3.254 5.219 1.00 0.00 N ATOM 648 CA ILE A 47 62.812 3.859 4.326 1.00 0.00 C ATOM 649 C ILE A 47 62.308 5.177 3.730 1.00 0.00 C ATOM 650 O ILE A 47 61.172 5.562 3.915 1.00 0.00 O ATOM 651 CB ILE A 47 63.037 2.813 3.230 1.00 0.00 C ATOM 652 CG1 ILE A 47 64.079 3.326 2.232 1.00 0.00 C ATOM 653 CG2 ILE A 47 61.721 2.545 2.498 1.00 0.00 C ATOM 654 CD1 ILE A 47 64.705 2.143 1.492 1.00 0.00 C ATOM 0 H ILE A 47 61.214 2.527 4.791 1.00 0.00 H new ATOM 0 HA ILE A 47 63.732 4.101 4.859 1.00 0.00 H new ATOM 0 HB ILE A 47 63.395 1.889 3.685 1.00 0.00 H new ATOM 0 HG12 ILE A 47 63.612 4.007 1.521 1.00 0.00 H new ATOM 0 HG13 ILE A 47 64.851 3.891 2.755 1.00 0.00 H new ATOM 0 HG21 ILE A 47 61.883 1.801 1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 47 60.980 2.174 3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 47 61.361 3.470 2.047 1.00 0.00 H new ATOM 0 HD11 ILE A 47 65.446 2.509 0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 47 65.187 1.479 2.209 1.00 0.00 H new ATOM 0 HD13 ILE A 47 63.929 1.597 0.956 1.00 0.00 H new ATOM 666 N THR A 48 63.156 5.871 3.022 1.00 0.00 N ATOM 667 CA THR A 48 62.748 7.166 2.407 1.00 0.00 C ATOM 668 C THR A 48 63.477 7.344 1.068 1.00 0.00 C ATOM 669 O THR A 48 63.583 6.419 0.288 1.00 0.00 O ATOM 670 CB THR A 48 63.182 8.231 3.418 1.00 0.00 C ATOM 671 OG1 THR A 48 64.569 8.081 3.693 1.00 0.00 O ATOM 672 CG2 THR A 48 62.377 8.062 4.709 1.00 0.00 C ATOM 0 H THR A 48 64.121 5.594 2.842 1.00 0.00 H new ATOM 0 HA THR A 48 61.680 7.225 2.199 1.00 0.00 H new ATOM 0 HB THR A 48 63.001 9.224 3.008 1.00 0.00 H new ATOM 0 HG1 THR A 48 64.850 8.762 4.339 1.00 0.00 H new ATOM 0 HG21 THR A 48 62.684 8.819 5.431 1.00 0.00 H new ATOM 0 HG22 THR A 48 61.315 8.176 4.493 1.00 0.00 H new ATOM 0 HG23 THR A 48 62.558 7.070 5.124 1.00 0.00 H new ATOM 680 N THR A 49 63.985 8.514 0.797 1.00 0.00 N ATOM 681 CA THR A 49 64.710 8.727 -0.488 1.00 0.00 C ATOM 682 C THR A 49 65.883 7.754 -0.595 1.00 0.00 C ATOM 683 O THR A 49 67.005 8.104 -0.301 1.00 0.00 O ATOM 684 CB THR A 49 65.235 10.157 -0.411 1.00 0.00 C ATOM 685 OG1 THR A 49 64.142 11.059 -0.303 1.00 0.00 O ATOM 686 CG2 THR A 49 66.042 10.469 -1.671 1.00 0.00 C ATOM 0 H THR A 49 63.930 9.330 1.407 1.00 0.00 H new ATOM 0 HA THR A 49 64.067 8.565 -1.353 1.00 0.00 H new ATOM 0 HB THR A 49 65.876 10.265 0.464 1.00 0.00 H new ATOM 0 HG1 THR A 49 64.480 11.978 -0.252 1.00 0.00 H new ATOM 0 HG21 THR A 49 66.418 11.491 -1.618 1.00 0.00 H new ATOM 0 HG22 THR A 49 66.881 9.777 -1.747 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.403 10.362 -2.548 1.00 0.00 H new ATOM 694 N SER A 50 65.645 6.542 -1.007 1.00 0.00 N ATOM 695 CA SER A 50 66.771 5.570 -1.115 1.00 0.00 C ATOM 696 C SER A 50 66.603 4.674 -2.342 1.00 0.00 C ATOM 697 O SER A 50 65.503 4.320 -2.719 1.00 0.00 O ATOM 698 CB SER A 50 66.691 4.740 0.165 1.00 0.00 C ATOM 699 OG SER A 50 67.646 3.689 0.103 1.00 0.00 O ATOM 0 H SER A 50 64.728 6.182 -1.272 1.00 0.00 H new ATOM 0 HA SER A 50 67.733 6.071 -1.228 1.00 0.00 H new ATOM 0 HB2 SER A 50 66.882 5.370 1.033 1.00 0.00 H new ATOM 0 HB3 SER A 50 65.688 4.329 0.284 1.00 0.00 H new ATOM 0 HG SER A 50 68.267 3.854 -0.637 1.00 0.00 H new ATOM 705 N THR A 51 67.685 4.297 -2.968 1.00 0.00 N ATOM 706 CA THR A 51 67.578 3.417 -4.167 1.00 0.00 C ATOM 707 C THR A 51 67.832 1.960 -3.778 1.00 0.00 C ATOM 708 O THR A 51 68.824 1.635 -3.157 1.00 0.00 O ATOM 709 CB THR A 51 68.665 3.903 -5.124 1.00 0.00 C ATOM 710 OG1 THR A 51 69.048 5.225 -4.774 1.00 0.00 O ATOM 711 CG2 THR A 51 68.135 3.882 -6.558 1.00 0.00 C ATOM 0 H THR A 51 68.634 4.559 -2.703 1.00 0.00 H new ATOM 0 HA THR A 51 66.587 3.463 -4.618 1.00 0.00 H new ATOM 0 HB THR A 51 69.531 3.245 -5.053 1.00 0.00 H new ATOM 0 HG1 THR A 51 69.747 5.536 -5.387 1.00 0.00 H new ATOM 0 HG21 THR A 51 68.913 4.229 -7.238 1.00 0.00 H new ATOM 0 HG22 THR A 51 67.847 2.865 -6.825 1.00 0.00 H new ATOM 0 HG23 THR A 51 67.267 4.537 -6.635 1.00 0.00 H new ATOM 719 N SER A 52 66.945 1.080 -4.144 1.00 0.00 N ATOM 720 CA SER A 52 67.130 -0.361 -3.803 1.00 0.00 C ATOM 721 C SER A 52 66.676 -1.243 -4.970 1.00 0.00 C ATOM 722 O SER A 52 65.592 -1.080 -5.496 1.00 0.00 O ATOM 723 CB SER A 52 66.245 -0.596 -2.579 1.00 0.00 C ATOM 724 OG SER A 52 65.020 -1.187 -2.994 1.00 0.00 O ATOM 0 H SER A 52 66.096 1.295 -4.667 1.00 0.00 H new ATOM 0 HA SER A 52 68.173 -0.607 -3.605 1.00 0.00 H new ATOM 0 HB2 SER A 52 66.754 -1.246 -1.867 1.00 0.00 H new ATOM 0 HB3 SER A 52 66.053 0.347 -2.068 1.00 0.00 H new ATOM 0 HG SER A 52 64.995 -2.124 -2.707 1.00 0.00 H new ATOM 730 N THR A 53 67.491 -2.178 -5.375 1.00 0.00 N ATOM 731 CA THR A 53 67.096 -3.070 -6.506 1.00 0.00 C ATOM 732 C THR A 53 66.735 -4.457 -5.973 1.00 0.00 C ATOM 733 O THR A 53 67.593 -5.230 -5.596 1.00 0.00 O ATOM 734 CB THR A 53 68.332 -3.145 -7.404 1.00 0.00 C ATOM 735 OG1 THR A 53 69.042 -1.916 -7.333 1.00 0.00 O ATOM 736 CG2 THR A 53 67.901 -3.406 -8.848 1.00 0.00 C ATOM 0 H THR A 53 68.410 -2.364 -4.975 1.00 0.00 H new ATOM 0 HA THR A 53 66.226 -2.697 -7.046 1.00 0.00 H new ATOM 0 HB THR A 53 68.977 -3.957 -7.068 1.00 0.00 H new ATOM 0 HG1 THR A 53 69.835 -1.963 -7.906 1.00 0.00 H new ATOM 0 HG21 THR A 53 68.783 -3.459 -9.487 1.00 0.00 H new ATOM 0 HG22 THR A 53 67.357 -4.349 -8.901 1.00 0.00 H new ATOM 0 HG23 THR A 53 67.256 -2.596 -9.187 1.00 0.00 H new ATOM 744 N GLY A 54 65.471 -4.778 -5.929 1.00 0.00 N ATOM 745 CA GLY A 54 65.066 -6.115 -5.409 1.00 0.00 C ATOM 746 C GLY A 54 65.729 -6.337 -4.050 1.00 0.00 C ATOM 747 O GLY A 54 66.835 -6.833 -3.964 1.00 0.00 O ATOM 0 H GLY A 54 64.704 -4.176 -6.229 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.982 -6.170 -5.313 1.00 0.00 H new ATOM 0 HA3 GLY A 54 65.364 -6.897 -6.107 1.00 0.00 H new ATOM 751 N SER A 55 65.069 -5.964 -2.988 1.00 0.00 N ATOM 752 CA SER A 55 65.675 -6.146 -1.638 1.00 0.00 C ATOM 753 C SER A 55 64.585 -6.247 -0.570 1.00 0.00 C ATOM 754 O SER A 55 63.809 -5.333 -0.371 1.00 0.00 O ATOM 755 CB SER A 55 66.521 -4.892 -1.418 1.00 0.00 C ATOM 756 OG SER A 55 65.770 -3.746 -1.800 1.00 0.00 O ATOM 0 H SER A 55 64.140 -5.543 -2.996 1.00 0.00 H new ATOM 0 HA SER A 55 66.265 -7.060 -1.572 1.00 0.00 H new ATOM 0 HB2 SER A 55 66.815 -4.816 -0.371 1.00 0.00 H new ATOM 0 HB3 SER A 55 67.439 -4.951 -2.003 1.00 0.00 H new ATOM 0 HG SER A 55 64.845 -3.843 -1.492 1.00 0.00 H new ATOM 762 N ARG A 56 64.525 -7.350 0.126 1.00 0.00 N ATOM 763 CA ARG A 56 63.493 -7.507 1.188 1.00 0.00 C ATOM 764 C ARG A 56 63.856 -6.634 2.394 1.00 0.00 C ATOM 765 O ARG A 56 64.714 -6.977 3.182 1.00 0.00 O ATOM 766 CB ARG A 56 63.539 -8.989 1.564 1.00 0.00 C ATOM 767 CG ARG A 56 62.151 -9.445 2.018 1.00 0.00 C ATOM 768 CD ARG A 56 62.247 -10.047 3.421 1.00 0.00 C ATOM 769 NE ARG A 56 62.513 -11.496 3.205 1.00 0.00 N ATOM 770 CZ ARG A 56 62.622 -12.299 4.228 1.00 0.00 C ATOM 771 NH1 ARG A 56 63.650 -12.204 5.026 1.00 0.00 N ATOM 772 NH2 ARG A 56 61.703 -13.198 4.452 1.00 0.00 N ATOM 0 H ARG A 56 65.147 -8.149 0.004 1.00 0.00 H new ATOM 0 HA ARG A 56 62.500 -7.203 0.857 1.00 0.00 H new ATOM 0 HB2 ARG A 56 63.866 -9.582 0.710 1.00 0.00 H new ATOM 0 HB3 ARG A 56 64.265 -9.150 2.361 1.00 0.00 H new ATOM 0 HG2 ARG A 56 61.461 -8.601 2.019 1.00 0.00 H new ATOM 0 HG3 ARG A 56 61.752 -10.182 1.321 1.00 0.00 H new ATOM 0 HD2 ARG A 56 63.047 -9.581 3.996 1.00 0.00 H new ATOM 0 HD3 ARG A 56 61.323 -9.895 3.979 1.00 0.00 H new ATOM 0 HE ARG A 56 62.610 -11.861 2.258 1.00 0.00 H new ATOM 0 HH11 ARG A 56 64.369 -11.502 4.850 1.00 0.00 H new ATOM 0 HH12 ARG A 56 63.735 -12.832 5.825 1.00 0.00 H new ATOM 0 HH21 ARG A 56 60.900 -13.273 3.828 1.00 0.00 H new ATOM 0 HH22 ARG A 56 61.788 -13.826 5.251 1.00 0.00 H new ATOM 786 N ILE A 57 63.216 -5.507 2.541 1.00 0.00 N ATOM 787 CA ILE A 57 63.538 -4.616 3.693 1.00 0.00 C ATOM 788 C ILE A 57 62.767 -5.060 4.939 1.00 0.00 C ATOM 789 O ILE A 57 62.704 -4.354 5.926 1.00 0.00 O ATOM 790 CB ILE A 57 63.094 -3.221 3.249 1.00 0.00 C ATOM 791 CG1 ILE A 57 63.573 -2.964 1.815 1.00 0.00 C ATOM 792 CG2 ILE A 57 63.700 -2.172 4.182 1.00 0.00 C ATOM 793 CD1 ILE A 57 65.031 -3.410 1.667 1.00 0.00 C ATOM 0 H ILE A 57 62.486 -5.165 1.916 1.00 0.00 H new ATOM 0 HA ILE A 57 64.596 -4.642 3.954 1.00 0.00 H new ATOM 0 HB ILE A 57 62.007 -3.158 3.287 1.00 0.00 H new ATOM 0 HG12 ILE A 57 62.944 -3.506 1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 57 63.481 -1.905 1.576 1.00 0.00 H new ATOM 0 HG21 ILE A 57 63.384 -1.178 3.866 1.00 0.00 H new ATOM 0 HG22 ILE A 57 63.361 -2.353 5.202 1.00 0.00 H new ATOM 0 HG23 ILE A 57 64.787 -2.236 4.144 1.00 0.00 H new ATOM 0 HD11 ILE A 57 65.366 -3.225 0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 57 65.656 -2.848 2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 57 65.110 -4.474 1.888 1.00 0.00 H new ATOM 805 N SER A 58 62.184 -6.226 4.901 1.00 0.00 N ATOM 806 CA SER A 58 61.419 -6.719 6.083 1.00 0.00 C ATOM 807 C SER A 58 62.185 -6.422 7.377 1.00 0.00 C ATOM 808 O SER A 58 63.395 -6.317 7.382 1.00 0.00 O ATOM 809 CB SER A 58 61.307 -8.226 5.873 1.00 0.00 C ATOM 810 OG SER A 58 60.046 -8.528 5.293 1.00 0.00 O ATOM 0 H SER A 58 62.204 -6.860 4.102 1.00 0.00 H new ATOM 0 HA SER A 58 60.445 -6.238 6.172 1.00 0.00 H new ATOM 0 HB2 SER A 58 62.111 -8.575 5.225 1.00 0.00 H new ATOM 0 HB3 SER A 58 61.416 -8.746 6.825 1.00 0.00 H new ATOM 0 HG SER A 58 59.842 -9.477 5.430 1.00 0.00 H new ATOM 816 N GLY A 59 61.488 -6.291 8.474 1.00 0.00 N ATOM 817 CA GLY A 59 62.181 -6.008 9.762 1.00 0.00 C ATOM 818 C GLY A 59 61.191 -5.407 10.759 1.00 0.00 C ATOM 819 O GLY A 59 60.282 -4.702 10.381 1.00 0.00 O ATOM 0 H GLY A 59 60.473 -6.368 8.533 1.00 0.00 H new ATOM 0 HA2 GLY A 59 62.607 -6.926 10.166 1.00 0.00 H new ATOM 0 HA3 GLY A 59 63.009 -5.319 9.597 1.00 0.00 H new ATOM 823 N PRO A 60 61.408 -5.706 12.009 1.00 0.00 N ATOM 824 CA PRO A 60 60.530 -5.178 13.077 1.00 0.00 C ATOM 825 C PRO A 60 60.868 -3.708 13.346 1.00 0.00 C ATOM 826 O PRO A 60 61.164 -3.321 14.459 1.00 0.00 O ATOM 827 CB PRO A 60 60.871 -6.047 14.283 1.00 0.00 C ATOM 828 CG PRO A 60 62.264 -6.539 14.032 1.00 0.00 C ATOM 829 CD PRO A 60 62.476 -6.558 12.538 1.00 0.00 C ATOM 0 HA PRO A 60 59.470 -5.212 12.827 1.00 0.00 H new ATOM 0 HB2 PRO A 60 60.817 -5.474 15.209 1.00 0.00 H new ATOM 0 HB3 PRO A 60 60.172 -6.877 14.380 1.00 0.00 H new ATOM 0 HG2 PRO A 60 62.993 -5.888 14.514 1.00 0.00 H new ATOM 0 HG3 PRO A 60 62.400 -7.536 14.451 1.00 0.00 H new ATOM 0 HD2 PRO A 60 63.460 -6.173 12.271 1.00 0.00 H new ATOM 0 HD3 PRO A 60 62.411 -7.571 12.140 1.00 0.00 H new ATOM 837 N GLY A 61 60.831 -2.890 12.329 1.00 0.00 N ATOM 838 CA GLY A 61 61.156 -1.446 12.515 1.00 0.00 C ATOM 839 C GLY A 61 62.299 -1.051 11.572 1.00 0.00 C ATOM 840 O GLY A 61 62.993 -0.080 11.795 1.00 0.00 O ATOM 0 H GLY A 61 60.589 -3.160 11.375 1.00 0.00 H new ATOM 0 HA2 GLY A 61 60.276 -0.836 12.312 1.00 0.00 H new ATOM 0 HA3 GLY A 61 61.443 -1.258 13.550 1.00 0.00 H new ATOM 844 N CYS A 62 62.502 -1.802 10.523 1.00 0.00 N ATOM 845 CA CYS A 62 63.600 -1.481 9.565 1.00 0.00 C ATOM 846 C CYS A 62 63.595 0.008 9.198 1.00 0.00 C ATOM 847 O CYS A 62 62.616 0.533 8.707 1.00 0.00 O ATOM 848 CB CYS A 62 63.292 -2.326 8.332 1.00 0.00 C ATOM 849 SG CYS A 62 64.770 -3.242 7.841 1.00 0.00 S ATOM 0 H CYS A 62 61.952 -2.628 10.287 1.00 0.00 H new ATOM 0 HA CYS A 62 64.582 -1.692 9.988 1.00 0.00 H new ATOM 0 HB2 CYS A 62 62.478 -3.018 8.547 1.00 0.00 H new ATOM 0 HB3 CYS A 62 62.960 -1.687 7.514 1.00 0.00 H new ATOM 854 N LYS A 63 64.690 0.687 9.417 1.00 0.00 N ATOM 855 CA LYS A 63 64.757 2.137 9.064 1.00 0.00 C ATOM 856 C LYS A 63 65.737 2.340 7.908 1.00 0.00 C ATOM 857 O LYS A 63 66.733 1.655 7.807 1.00 0.00 O ATOM 858 CB LYS A 63 65.278 2.851 10.315 1.00 0.00 C ATOM 859 CG LYS A 63 64.677 2.220 11.570 1.00 0.00 C ATOM 860 CD LYS A 63 63.169 2.475 11.595 1.00 0.00 C ATOM 861 CE LYS A 63 62.909 3.984 11.554 1.00 0.00 C ATOM 862 NZ LYS A 63 61.974 4.246 12.684 1.00 0.00 N ATOM 0 H LYS A 63 65.541 0.301 9.825 1.00 0.00 H new ATOM 0 HA LYS A 63 63.785 2.523 8.756 1.00 0.00 H new ATOM 0 HB2 LYS A 63 66.366 2.788 10.352 1.00 0.00 H new ATOM 0 HB3 LYS A 63 65.021 3.909 10.272 1.00 0.00 H new ATOM 0 HG2 LYS A 63 64.876 1.148 11.582 1.00 0.00 H new ATOM 0 HG3 LYS A 63 65.143 2.641 12.461 1.00 0.00 H new ATOM 0 HD2 LYS A 63 62.692 1.989 10.744 1.00 0.00 H new ATOM 0 HD3 LYS A 63 62.731 2.043 12.495 1.00 0.00 H new ATOM 0 HE2 LYS A 63 63.835 4.547 11.670 1.00 0.00 H new ATOM 0 HE3 LYS A 63 62.471 4.283 10.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 61.749 5.261 12.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 61.099 3.702 12.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 62.421 3.958 13.578 1.00 0.00 H new ATOM 876 N ILE A 64 65.474 3.273 7.039 1.00 0.00 N ATOM 877 CA ILE A 64 66.409 3.506 5.904 1.00 0.00 C ATOM 878 C ILE A 64 66.285 4.946 5.399 1.00 0.00 C ATOM 879 O ILE A 64 65.212 5.417 5.083 1.00 0.00 O ATOM 880 CB ILE A 64 65.982 2.507 4.830 1.00 0.00 C ATOM 881 CG1 ILE A 64 66.142 1.086 5.377 1.00 0.00 C ATOM 882 CG2 ILE A 64 66.861 2.681 3.591 1.00 0.00 C ATOM 883 CD1 ILE A 64 66.036 0.079 4.233 1.00 0.00 C ATOM 0 H ILE A 64 64.656 3.882 7.064 1.00 0.00 H new ATOM 0 HA ILE A 64 67.452 3.369 6.189 1.00 0.00 H new ATOM 0 HB ILE A 64 64.941 2.681 4.559 1.00 0.00 H new ATOM 0 HG12 ILE A 64 67.106 0.984 5.876 1.00 0.00 H new ATOM 0 HG13 ILE A 64 65.374 0.885 6.124 1.00 0.00 H new ATOM 0 HG21 ILE A 64 66.556 1.968 2.825 1.00 0.00 H new ATOM 0 HG22 ILE A 64 66.752 3.695 3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 64 67.903 2.504 3.857 1.00 0.00 H new ATOM 0 HD11 ILE A 64 66.150 -0.931 4.626 1.00 0.00 H new ATOM 0 HD12 ILE A 64 65.062 0.174 3.754 1.00 0.00 H new ATOM 0 HD13 ILE A 64 66.820 0.275 3.502 1.00 0.00 H new ATOM 895 N SER A 65 67.377 5.649 5.319 1.00 0.00 N ATOM 896 CA SER A 65 67.319 7.056 4.832 1.00 0.00 C ATOM 897 C SER A 65 68.464 7.313 3.852 1.00 0.00 C ATOM 898 O SER A 65 69.603 7.482 4.239 1.00 0.00 O ATOM 899 CB SER A 65 67.464 7.925 6.079 1.00 0.00 C ATOM 900 OG SER A 65 68.448 8.924 5.849 1.00 0.00 O ATOM 0 H SER A 65 68.307 5.313 5.569 1.00 0.00 H new ATOM 0 HA SER A 65 66.391 7.274 4.304 1.00 0.00 H new ATOM 0 HB2 SER A 65 66.509 8.390 6.324 1.00 0.00 H new ATOM 0 HB3 SER A 65 67.748 7.310 6.933 1.00 0.00 H new ATOM 0 HG SER A 65 69.320 8.499 5.709 1.00 0.00 H new ATOM 906 N THR A 66 68.165 7.336 2.585 1.00 0.00 N ATOM 907 CA THR A 66 69.227 7.571 1.570 1.00 0.00 C ATOM 908 C THR A 66 70.188 6.383 1.520 1.00 0.00 C ATOM 909 O THR A 66 71.267 6.417 2.077 1.00 0.00 O ATOM 910 CB THR A 66 69.958 8.831 2.024 1.00 0.00 C ATOM 911 OG1 THR A 66 69.045 9.697 2.682 1.00 0.00 O ATOM 912 CG2 THR A 66 70.543 9.532 0.798 1.00 0.00 C ATOM 0 H THR A 66 67.227 7.202 2.207 1.00 0.00 H new ATOM 0 HA THR A 66 68.811 7.686 0.569 1.00 0.00 H new ATOM 0 HB THR A 66 70.760 8.568 2.714 1.00 0.00 H new ATOM 0 HG1 THR A 66 69.515 10.506 2.975 1.00 0.00 H new ATOM 0 HG21 THR A 66 71.068 10.435 1.111 1.00 0.00 H new ATOM 0 HG22 THR A 66 71.240 8.863 0.294 1.00 0.00 H new ATOM 0 HG23 THR A 66 69.738 9.799 0.113 1.00 0.00 H new ATOM 920 N CYS A 67 69.806 5.336 0.847 1.00 0.00 N ATOM 921 CA CYS A 67 70.694 4.142 0.746 1.00 0.00 C ATOM 922 C CYS A 67 70.645 3.589 -0.675 1.00 0.00 C ATOM 923 O CYS A 67 69.603 3.202 -1.164 1.00 0.00 O ATOM 924 CB CYS A 67 70.120 3.117 1.726 1.00 0.00 C ATOM 925 SG CYS A 67 71.461 2.092 2.383 1.00 0.00 S ATOM 0 H CYS A 67 68.914 5.253 0.360 1.00 0.00 H new ATOM 0 HA CYS A 67 71.732 4.382 0.977 1.00 0.00 H new ATOM 0 HB2 CYS A 67 69.605 3.626 2.541 1.00 0.00 H new ATOM 0 HB3 CYS A 67 69.382 2.491 1.224 1.00 0.00 H new ATOM 930 N ILE A 68 71.761 3.537 -1.342 1.00 0.00 N ATOM 931 CA ILE A 68 71.761 2.991 -2.724 1.00 0.00 C ATOM 932 C ILE A 68 71.975 1.486 -2.649 1.00 0.00 C ATOM 933 O ILE A 68 73.064 0.982 -2.837 1.00 0.00 O ATOM 934 CB ILE A 68 72.920 3.669 -3.452 1.00 0.00 C ATOM 935 CG1 ILE A 68 72.665 5.178 -3.547 1.00 0.00 C ATOM 936 CG2 ILE A 68 73.015 3.088 -4.859 1.00 0.00 C ATOM 937 CD1 ILE A 68 72.788 5.812 -2.161 1.00 0.00 C ATOM 0 H ILE A 68 72.668 3.847 -0.993 1.00 0.00 H new ATOM 0 HA ILE A 68 70.823 3.176 -3.248 1.00 0.00 H new ATOM 0 HB ILE A 68 73.848 3.498 -2.906 1.00 0.00 H new ATOM 0 HG12 ILE A 68 73.381 5.635 -4.231 1.00 0.00 H new ATOM 0 HG13 ILE A 68 71.671 5.363 -3.955 1.00 0.00 H new ATOM 0 HG21 ILE A 68 73.838 3.562 -5.393 1.00 0.00 H new ATOM 0 HG22 ILE A 68 73.192 2.014 -4.798 1.00 0.00 H new ATOM 0 HG23 ILE A 68 72.083 3.272 -5.393 1.00 0.00 H new ATOM 0 HD11 ILE A 68 72.606 6.884 -2.234 1.00 0.00 H new ATOM 0 HD12 ILE A 68 72.055 5.364 -1.490 1.00 0.00 H new ATOM 0 HD13 ILE A 68 73.791 5.640 -1.770 1.00 0.00 H new ATOM 949 N ILE A 69 70.934 0.776 -2.346 1.00 0.00 N ATOM 950 CA ILE A 69 71.038 -0.700 -2.218 1.00 0.00 C ATOM 951 C ILE A 69 70.780 -1.368 -3.573 1.00 0.00 C ATOM 952 O ILE A 69 70.089 -0.835 -4.416 1.00 0.00 O ATOM 953 CB ILE A 69 69.955 -1.076 -1.201 1.00 0.00 C ATOM 954 CG1 ILE A 69 70.000 -0.103 -0.009 1.00 0.00 C ATOM 955 CG2 ILE A 69 70.196 -2.503 -0.702 1.00 0.00 C ATOM 956 CD1 ILE A 69 68.679 -0.170 0.756 1.00 0.00 C ATOM 0 H ILE A 69 70.003 1.158 -2.179 1.00 0.00 H new ATOM 0 HA ILE A 69 72.027 -1.027 -1.897 1.00 0.00 H new ATOM 0 HB ILE A 69 68.977 -1.016 -1.679 1.00 0.00 H new ATOM 0 HG12 ILE A 69 70.828 -0.359 0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 69 70.177 0.913 -0.362 1.00 0.00 H new ATOM 0 HG21 ILE A 69 69.426 -2.770 0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 69 70.159 -3.194 -1.544 1.00 0.00 H new ATOM 0 HG23 ILE A 69 71.176 -2.562 -0.227 1.00 0.00 H new ATOM 0 HD11 ILE A 69 68.712 0.519 1.600 1.00 0.00 H new ATOM 0 HD12 ILE A 69 67.860 0.107 0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 69 68.522 -1.185 1.122 1.00 0.00 H new ATOM 968 N THR A 70 71.338 -2.529 -3.788 1.00 0.00 N ATOM 969 CA THR A 70 71.132 -3.225 -5.093 1.00 0.00 C ATOM 970 C THR A 70 71.203 -4.743 -4.906 1.00 0.00 C ATOM 971 O THR A 70 72.271 -5.317 -4.819 1.00 0.00 O ATOM 972 CB THR A 70 72.284 -2.745 -5.976 1.00 0.00 C ATOM 973 OG1 THR A 70 72.039 -1.404 -6.385 1.00 0.00 O ATOM 974 CG2 THR A 70 72.398 -3.651 -7.205 1.00 0.00 C ATOM 0 H THR A 70 71.926 -3.025 -3.119 1.00 0.00 H new ATOM 0 HA THR A 70 70.157 -3.005 -5.528 1.00 0.00 H new ATOM 0 HB THR A 70 73.217 -2.785 -5.414 1.00 0.00 H new ATOM 0 HG1 THR A 70 72.777 -1.094 -6.950 1.00 0.00 H new ATOM 0 HG21 THR A 70 73.219 -3.309 -7.834 1.00 0.00 H new ATOM 0 HG22 THR A 70 72.588 -4.676 -6.885 1.00 0.00 H new ATOM 0 HG23 THR A 70 71.467 -3.615 -7.771 1.00 0.00 H new ATOM 982 N GLY A 71 70.076 -5.398 -4.852 1.00 0.00 N ATOM 983 CA GLY A 71 70.087 -6.879 -4.679 1.00 0.00 C ATOM 984 C GLY A 71 70.093 -7.219 -3.189 1.00 0.00 C ATOM 985 O GLY A 71 70.671 -8.203 -2.770 1.00 0.00 O ATOM 0 H GLY A 71 69.151 -4.974 -4.920 1.00 0.00 H new ATOM 0 HA2 GLY A 71 69.213 -7.318 -5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 71 70.965 -7.306 -5.164 1.00 0.00 H new ATOM 989 N GLY A 72 69.458 -6.415 -2.385 1.00 0.00 N ATOM 990 CA GLY A 72 69.433 -6.697 -0.923 1.00 0.00 C ATOM 991 C GLY A 72 70.769 -6.277 -0.306 1.00 0.00 C ATOM 992 O GLY A 72 71.104 -6.662 0.796 1.00 0.00 O ATOM 0 H GLY A 72 68.956 -5.576 -2.675 1.00 0.00 H new ATOM 0 HA2 GLY A 72 68.614 -6.155 -0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.256 -7.758 -0.748 1.00 0.00 H new ATOM 996 N VAL A 73 71.540 -5.498 -1.017 1.00 0.00 N ATOM 997 CA VAL A 73 72.861 -5.062 -0.478 1.00 0.00 C ATOM 998 C VAL A 73 72.980 -3.533 -0.507 1.00 0.00 C ATOM 999 O VAL A 73 72.743 -2.915 -1.525 1.00 0.00 O ATOM 1000 CB VAL A 73 73.887 -5.680 -1.424 1.00 0.00 C ATOM 1001 CG1 VAL A 73 73.593 -7.170 -1.604 1.00 0.00 C ATOM 1002 CG2 VAL A 73 73.804 -4.977 -2.781 1.00 0.00 C ATOM 0 H VAL A 73 71.313 -5.145 -1.947 1.00 0.00 H new ATOM 0 HA VAL A 73 73.001 -5.372 0.557 1.00 0.00 H new ATOM 0 HB VAL A 73 74.886 -5.560 -1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 73 74.328 -7.607 -2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 73 73.646 -7.671 -0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 73 72.595 -7.296 -2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 73 74.534 -5.413 -3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 73 72.803 -5.101 -3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 73 74.015 -3.915 -2.654 1.00 0.00 H new ATOM 1012 N PRO A 74 73.361 -2.974 0.612 1.00 0.00 N ATOM 1013 CA PRO A 74 73.531 -1.505 0.708 1.00 0.00 C ATOM 1014 C PRO A 74 74.828 -1.076 0.020 1.00 0.00 C ATOM 1015 O PRO A 74 75.824 -1.770 0.065 1.00 0.00 O ATOM 1016 CB PRO A 74 73.617 -1.248 2.208 1.00 0.00 C ATOM 1017 CG PRO A 74 74.102 -2.536 2.797 1.00 0.00 C ATOM 1018 CD PRO A 74 73.662 -3.650 1.878 1.00 0.00 C ATOM 0 HA PRO A 74 72.724 -0.951 0.228 1.00 0.00 H new ATOM 0 HB2 PRO A 74 74.303 -0.430 2.429 1.00 0.00 H new ATOM 0 HB3 PRO A 74 72.646 -0.969 2.616 1.00 0.00 H new ATOM 0 HG2 PRO A 74 75.187 -2.527 2.896 1.00 0.00 H new ATOM 0 HG3 PRO A 74 73.691 -2.679 3.797 1.00 0.00 H new ATOM 0 HD2 PRO A 74 74.446 -4.397 1.754 1.00 0.00 H new ATOM 0 HD3 PRO A 74 72.787 -4.168 2.271 1.00 0.00 H new ATOM 1026 N ALA A 75 74.829 0.067 -0.607 1.00 0.00 N ATOM 1027 CA ALA A 75 76.069 0.539 -1.284 1.00 0.00 C ATOM 1028 C ALA A 75 76.896 1.384 -0.314 1.00 0.00 C ATOM 1029 O ALA A 75 76.389 1.856 0.684 1.00 0.00 O ATOM 1030 CB ALA A 75 75.583 1.388 -2.459 1.00 0.00 C ATOM 0 H ALA A 75 74.027 0.693 -0.680 1.00 0.00 H new ATOM 0 HA ALA A 75 76.703 -0.283 -1.617 1.00 0.00 H new ATOM 0 HB1 ALA A 75 76.441 1.773 -3.009 1.00 0.00 H new ATOM 0 HB2 ALA A 75 74.972 0.776 -3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 75 74.988 2.221 -2.084 1.00 0.00 H new ATOM 1036 N PRO A 76 78.147 1.551 -0.640 1.00 0.00 N ATOM 1037 CA PRO A 76 79.054 2.353 0.217 1.00 0.00 C ATOM 1038 C PRO A 76 78.661 3.831 0.161 1.00 0.00 C ATOM 1039 O PRO A 76 79.392 4.662 -0.338 1.00 0.00 O ATOM 1040 CB PRO A 76 80.432 2.121 -0.401 1.00 0.00 C ATOM 1041 CG PRO A 76 80.153 1.746 -1.821 1.00 0.00 C ATOM 1042 CD PRO A 76 78.833 1.022 -1.824 1.00 0.00 C ATOM 0 HA PRO A 76 79.019 2.071 1.269 1.00 0.00 H new ATOM 0 HB2 PRO A 76 81.048 3.018 -0.342 1.00 0.00 H new ATOM 0 HB3 PRO A 76 80.971 1.329 0.119 1.00 0.00 H new ATOM 0 HG2 PRO A 76 80.110 2.632 -2.454 1.00 0.00 H new ATOM 0 HG3 PRO A 76 80.945 1.110 -2.216 1.00 0.00 H new ATOM 0 HD2 PRO A 76 78.269 1.220 -2.736 1.00 0.00 H new ATOM 0 HD3 PRO A 76 78.968 -0.058 -1.760 1.00 0.00 H new ATOM 1050 N SER A 77 77.505 4.160 0.669 1.00 0.00 N ATOM 1051 CA SER A 77 77.055 5.581 0.645 1.00 0.00 C ATOM 1052 C SER A 77 77.108 6.180 2.053 1.00 0.00 C ATOM 1053 O SER A 77 76.537 5.651 2.986 1.00 0.00 O ATOM 1054 CB SER A 77 75.613 5.527 0.141 1.00 0.00 C ATOM 1055 OG SER A 77 75.419 6.539 -0.838 1.00 0.00 O ATOM 0 H SER A 77 76.852 3.506 1.100 1.00 0.00 H new ATOM 0 HA SER A 77 77.688 6.204 0.013 1.00 0.00 H new ATOM 0 HB2 SER A 77 75.401 4.547 -0.286 1.00 0.00 H new ATOM 0 HB3 SER A 77 74.920 5.670 0.970 1.00 0.00 H new ATOM 0 HG SER A 77 74.714 7.151 -0.540 1.00 0.00 H new ATOM 1061 N ALA A 78 77.787 7.283 2.211 1.00 0.00 N ATOM 1062 CA ALA A 78 77.876 7.919 3.557 1.00 0.00 C ATOM 1063 C ALA A 78 76.532 8.547 3.938 1.00 0.00 C ATOM 1064 O ALA A 78 76.375 9.097 5.009 1.00 0.00 O ATOM 1065 CB ALA A 78 78.950 8.998 3.414 1.00 0.00 C ATOM 0 H ALA A 78 78.284 7.772 1.466 1.00 0.00 H new ATOM 0 HA ALA A 78 78.121 7.199 4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 78 79.076 9.514 4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 78 79.894 8.536 3.124 1.00 0.00 H new ATOM 0 HB3 ALA A 78 78.647 9.714 2.650 1.00 0.00 H new ATOM 1071 N ALA A 79 75.561 8.478 3.066 1.00 0.00 N ATOM 1072 CA ALA A 79 74.233 9.078 3.383 1.00 0.00 C ATOM 1073 C ALA A 79 73.295 8.022 3.974 1.00 0.00 C ATOM 1074 O ALA A 79 72.363 8.337 4.686 1.00 0.00 O ATOM 1075 CB ALA A 79 73.697 9.579 2.042 1.00 0.00 C ATOM 0 H ALA A 79 75.630 8.033 2.151 1.00 0.00 H new ATOM 0 HA ALA A 79 74.309 9.878 4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 79 72.719 10.036 2.189 1.00 0.00 H new ATOM 0 HB2 ALA A 79 74.384 10.317 1.628 1.00 0.00 H new ATOM 0 HB3 ALA A 79 73.606 8.741 1.351 1.00 0.00 H new ATOM 1081 N CYS A 80 73.536 6.770 3.694 1.00 0.00 N ATOM 1082 CA CYS A 80 72.657 5.704 4.254 1.00 0.00 C ATOM 1083 C CYS A 80 72.938 5.543 5.753 1.00 0.00 C ATOM 1084 O CYS A 80 73.901 6.076 6.268 1.00 0.00 O ATOM 1085 CB CYS A 80 73.023 4.439 3.475 1.00 0.00 C ATOM 1086 SG CYS A 80 72.034 3.045 4.071 1.00 0.00 S ATOM 0 H CYS A 80 74.300 6.440 3.104 1.00 0.00 H new ATOM 0 HA CYS A 80 71.595 5.931 4.157 1.00 0.00 H new ATOM 0 HB2 CYS A 80 72.847 4.593 2.410 1.00 0.00 H new ATOM 0 HB3 CYS A 80 74.084 4.221 3.595 1.00 0.00 H new ATOM 1091 N LYS A 81 72.098 4.839 6.464 1.00 0.00 N ATOM 1092 CA LYS A 81 72.324 4.688 7.934 1.00 0.00 C ATOM 1093 C LYS A 81 72.772 3.265 8.298 1.00 0.00 C ATOM 1094 O LYS A 81 73.633 3.077 9.134 1.00 0.00 O ATOM 1095 CB LYS A 81 70.969 5.057 8.581 1.00 0.00 C ATOM 1096 CG LYS A 81 70.163 3.808 8.993 1.00 0.00 C ATOM 1097 CD LYS A 81 69.423 3.237 7.779 1.00 0.00 C ATOM 1098 CE LYS A 81 69.302 1.712 7.916 1.00 0.00 C ATOM 1099 NZ LYS A 81 68.656 1.497 9.242 1.00 0.00 N ATOM 0 H LYS A 81 71.273 4.366 6.097 1.00 0.00 H new ATOM 0 HA LYS A 81 73.129 5.330 8.293 1.00 0.00 H new ATOM 0 HB2 LYS A 81 71.144 5.680 9.458 1.00 0.00 H new ATOM 0 HB3 LYS A 81 70.383 5.651 7.880 1.00 0.00 H new ATOM 0 HG2 LYS A 81 70.832 3.054 9.409 1.00 0.00 H new ATOM 0 HG3 LYS A 81 69.449 4.067 9.775 1.00 0.00 H new ATOM 0 HD2 LYS A 81 68.432 3.684 7.702 1.00 0.00 H new ATOM 0 HD3 LYS A 81 69.959 3.488 6.863 1.00 0.00 H new ATOM 0 HE2 LYS A 81 68.701 1.289 7.111 1.00 0.00 H new ATOM 0 HE3 LYS A 81 70.280 1.232 7.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 68.909 0.555 9.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 68.985 2.223 9.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 67.623 1.563 9.140 1.00 0.00 H new ATOM 1113 N ILE A 82 72.187 2.263 7.702 1.00 0.00 N ATOM 1114 CA ILE A 82 72.581 0.868 8.050 1.00 0.00 C ATOM 1115 C ILE A 82 72.633 0.711 9.575 1.00 0.00 C ATOM 1116 O ILE A 82 73.694 0.661 10.163 1.00 0.00 O ATOM 1117 CB ILE A 82 73.975 0.682 7.449 1.00 0.00 C ATOM 1118 CG1 ILE A 82 73.942 1.036 5.960 1.00 0.00 C ATOM 1119 CG2 ILE A 82 74.410 -0.775 7.616 1.00 0.00 C ATOM 1120 CD1 ILE A 82 72.824 0.252 5.273 1.00 0.00 C ATOM 0 H ILE A 82 71.458 2.348 6.994 1.00 0.00 H new ATOM 0 HA ILE A 82 71.875 0.130 7.669 1.00 0.00 H new ATOM 0 HB ILE A 82 74.681 1.335 7.961 1.00 0.00 H new ATOM 0 HG12 ILE A 82 73.780 2.107 5.834 1.00 0.00 H new ATOM 0 HG13 ILE A 82 74.901 0.802 5.498 1.00 0.00 H new ATOM 0 HG21 ILE A 82 75.403 -0.909 7.188 1.00 0.00 H new ATOM 0 HG22 ILE A 82 74.434 -1.028 8.676 1.00 0.00 H new ATOM 0 HG23 ILE A 82 73.703 -1.427 7.103 1.00 0.00 H new ATOM 0 HD11 ILE A 82 72.801 0.504 4.213 1.00 0.00 H new ATOM 0 HD12 ILE A 82 73.005 -0.817 5.388 1.00 0.00 H new ATOM 0 HD13 ILE A 82 71.867 0.508 5.728 1.00 0.00 H new ATOM 1132 N SER A 83 71.498 0.645 10.223 1.00 0.00 N ATOM 1133 CA SER A 83 71.506 0.506 11.709 1.00 0.00 C ATOM 1134 C SER A 83 70.641 -0.679 12.153 1.00 0.00 C ATOM 1135 O SER A 83 71.139 -1.749 12.441 1.00 0.00 O ATOM 1136 CB SER A 83 70.918 1.816 12.232 1.00 0.00 C ATOM 1137 OG SER A 83 71.941 2.570 12.869 1.00 0.00 O ATOM 0 H SER A 83 70.574 0.681 9.792 1.00 0.00 H new ATOM 0 HA SER A 83 72.510 0.320 12.091 1.00 0.00 H new ATOM 0 HB2 SER A 83 70.487 2.388 11.410 1.00 0.00 H new ATOM 0 HB3 SER A 83 70.111 1.610 12.935 1.00 0.00 H new ATOM 0 HG SER A 83 71.567 3.412 13.204 1.00 0.00 H new ATOM 1143 N GLY A 84 69.351 -0.492 12.224 1.00 0.00 N ATOM 1144 CA GLY A 84 68.462 -1.605 12.665 1.00 0.00 C ATOM 1145 C GLY A 84 67.660 -2.139 11.477 1.00 0.00 C ATOM 1146 O GLY A 84 66.503 -2.490 11.608 1.00 0.00 O ATOM 0 H GLY A 84 68.875 0.381 11.996 1.00 0.00 H new ATOM 0 HA2 GLY A 84 69.059 -2.406 13.101 1.00 0.00 H new ATOM 0 HA3 GLY A 84 67.784 -1.253 13.443 1.00 0.00 H new ATOM 1150 N CYS A 85 68.259 -2.213 10.320 1.00 0.00 N ATOM 1151 CA CYS A 85 67.516 -2.735 9.137 1.00 0.00 C ATOM 1152 C CYS A 85 68.367 -3.781 8.407 1.00 0.00 C ATOM 1153 O CYS A 85 69.482 -4.066 8.797 1.00 0.00 O ATOM 1154 CB CYS A 85 67.267 -1.507 8.252 1.00 0.00 C ATOM 1155 SG CYS A 85 65.978 -1.845 7.013 1.00 0.00 S ATOM 0 H CYS A 85 69.225 -1.937 10.143 1.00 0.00 H new ATOM 0 HA CYS A 85 66.582 -3.226 9.409 1.00 0.00 H new ATOM 0 HB2 CYS A 85 66.967 -0.662 8.872 1.00 0.00 H new ATOM 0 HB3 CYS A 85 68.192 -1.222 7.751 1.00 0.00 H new ATOM 1160 N THR A 86 67.849 -4.359 7.359 1.00 0.00 N ATOM 1161 CA THR A 86 68.620 -5.388 6.610 1.00 0.00 C ATOM 1162 C THR A 86 67.854 -5.789 5.352 1.00 0.00 C ATOM 1163 O THR A 86 66.647 -5.670 5.286 1.00 0.00 O ATOM 1164 CB THR A 86 68.725 -6.575 7.563 1.00 0.00 C ATOM 1165 OG1 THR A 86 69.170 -7.717 6.845 1.00 0.00 O ATOM 1166 CG2 THR A 86 67.353 -6.858 8.182 1.00 0.00 C ATOM 0 H THR A 86 66.920 -4.161 6.988 1.00 0.00 H new ATOM 0 HA THR A 86 69.600 -5.028 6.297 1.00 0.00 H new ATOM 0 HB THR A 86 69.437 -6.345 8.356 1.00 0.00 H new ATOM 0 HG1 THR A 86 69.240 -8.480 7.455 1.00 0.00 H new ATOM 0 HG21 THR A 86 67.429 -7.706 8.863 1.00 0.00 H new ATOM 0 HG22 THR A 86 67.014 -5.980 8.732 1.00 0.00 H new ATOM 0 HG23 THR A 86 66.638 -7.089 7.392 1.00 0.00 H new ATOM 1174 N PHE A 87 68.542 -6.265 4.355 1.00 0.00 N ATOM 1175 CA PHE A 87 67.836 -6.674 3.105 1.00 0.00 C ATOM 1176 C PHE A 87 68.191 -8.118 2.756 1.00 0.00 C ATOM 1177 O PHE A 87 69.204 -8.640 3.179 1.00 0.00 O ATOM 1178 CB PHE A 87 68.320 -5.733 1.986 1.00 0.00 C ATOM 1179 CG PHE A 87 68.906 -4.454 2.548 1.00 0.00 C ATOM 1180 CD1 PHE A 87 68.209 -3.715 3.513 1.00 0.00 C ATOM 1181 CD2 PHE A 87 70.150 -4.011 2.090 1.00 0.00 C ATOM 1182 CE1 PHE A 87 68.762 -2.529 4.020 1.00 0.00 C ATOM 1183 CE2 PHE A 87 70.700 -2.830 2.596 1.00 0.00 C ATOM 1184 CZ PHE A 87 70.008 -2.089 3.560 1.00 0.00 C ATOM 0 H PHE A 87 69.554 -6.389 4.347 1.00 0.00 H new ATOM 0 HA PHE A 87 66.755 -6.610 3.230 1.00 0.00 H new ATOM 0 HB2 PHE A 87 69.070 -6.242 1.380 1.00 0.00 H new ATOM 0 HB3 PHE A 87 67.487 -5.493 1.326 1.00 0.00 H new ATOM 0 HD1 PHE A 87 67.248 -4.058 3.866 1.00 0.00 H new ATOM 0 HD2 PHE A 87 70.686 -4.581 1.346 1.00 0.00 H new ATOM 0 HE1 PHE A 87 68.227 -1.957 4.764 1.00 0.00 H new ATOM 0 HE2 PHE A 87 71.662 -2.489 2.242 1.00 0.00 H new ATOM 0 HZ PHE A 87 70.436 -1.177 3.949 1.00 0.00 H new ATOM 1194 N SER A 88 67.367 -8.766 1.984 1.00 0.00 N ATOM 1195 CA SER A 88 67.654 -10.176 1.600 1.00 0.00 C ATOM 1196 C SER A 88 67.255 -10.405 0.142 1.00 0.00 C ATOM 1197 O SER A 88 67.002 -11.517 -0.276 1.00 0.00 O ATOM 1198 CB SER A 88 66.793 -11.027 2.533 1.00 0.00 C ATOM 1199 OG SER A 88 67.099 -12.400 2.329 1.00 0.00 O ATOM 0 H SER A 88 66.504 -8.380 1.601 1.00 0.00 H new ATOM 0 HA SER A 88 68.711 -10.426 1.689 1.00 0.00 H new ATOM 0 HB2 SER A 88 66.979 -10.751 3.571 1.00 0.00 H new ATOM 0 HB3 SER A 88 65.736 -10.845 2.339 1.00 0.00 H new ATOM 0 HG SER A 88 67.077 -12.601 1.370 1.00 0.00 H new ATOM 1205 N ALA A 89 67.194 -9.357 -0.633 1.00 0.00 N ATOM 1206 CA ALA A 89 66.806 -9.512 -2.063 1.00 0.00 C ATOM 1207 C ALA A 89 65.451 -10.215 -2.160 1.00 0.00 C ATOM 1208 O ALA A 89 65.371 -11.405 -2.394 1.00 0.00 O ATOM 1209 CB ALA A 89 67.910 -10.372 -2.678 1.00 0.00 C ATOM 0 H ALA A 89 67.396 -8.402 -0.338 1.00 0.00 H new ATOM 0 HA ALA A 89 66.705 -8.556 -2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 89 67.699 -10.534 -3.735 1.00 0.00 H new ATOM 0 HB2 ALA A 89 68.868 -9.863 -2.573 1.00 0.00 H new ATOM 0 HB3 ALA A 89 67.951 -11.333 -2.165 1.00 0.00 H new ATOM 1215 N ASN A 90 64.383 -9.488 -1.970 1.00 0.00 N ATOM 1216 CA ASN A 90 63.031 -10.110 -2.040 1.00 0.00 C ATOM 1217 C ASN A 90 62.722 -10.557 -3.474 1.00 0.00 C ATOM 1218 O ASN A 90 61.584 -10.912 -3.732 1.00 0.00 O ATOM 1219 CB ASN A 90 62.069 -9.004 -1.583 1.00 0.00 C ATOM 1220 CG ASN A 90 61.734 -8.077 -2.753 1.00 0.00 C ATOM 1221 OD1 ASN A 90 60.591 -7.717 -2.950 1.00 0.00 O ATOM 1222 ND2 ASN A 90 62.691 -7.671 -3.544 1.00 0.00 N ATOM 1223 OXT ASN A 90 63.630 -10.536 -4.289 1.00 0.00 O ATOM 0 H ASN A 90 64.389 -8.488 -1.769 1.00 0.00 H new ATOM 0 HA ASN A 90 62.947 -11.001 -1.418 1.00 0.00 H new ATOM 0 HB2 ASN A 90 61.155 -9.448 -1.188 1.00 0.00 H new ATOM 0 HB3 ASN A 90 62.521 -8.431 -0.773 1.00 0.00 H new ATOM 0 HD21 ASN A 90 62.478 -7.052 -4.326 1.00 0.00 H new ATOM 0 HD22 ASN A 90 63.651 -7.973 -3.379 1.00 0.00 H new