USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=32 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 52 SER OG : rot -160:sc= 0.988 USER MOD Set 1.2: A 55 SER OG : rot -149:sc= 1.16 USER MOD Set 2.1: A 53 THR OG1 : rot 51:sc= -3.18! USER MOD Set 2.2: A 70 THR OG1 : rot -17:sc= 0.647 USER MOD Single : A 10 GLN : amide:sc= -1.17 K(o=-1.2,f=-2.6!) USER MOD Single : A 12 SER OG : rot -95:sc= -0.278 USER MOD Single : A 14 ASN :FLIP amide:sc= -2.99! C(o=-3.7!,f=-3!) USER MOD Single : A 15 SER OG : rot 46:sc= -6.65! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot -90:sc= -3.03! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -118:sc= 1.2 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -29:sc= 0.173 USER MOD Single : A 24 ASN :FLIP amide:sc=-0.00339 F(o=-2.2!,f=-0.0034) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 77:sc= -3.04! USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 73:sc= 1.17 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -150:sc= -0.219 USER MOD Single : A 40 SER OG : rot 150:sc= 0.0283 USER MOD Single : A 46 THR OG1 : rot -22:sc= 0.714 USER MOD Single : A 48 THR OG1 : rot -148:sc= -1.99! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 27:sc= 0.662 USER MOD Single : A 51 THR OG1 : rot -120:sc= -2.14! USER MOD Single : A 58 SER OG : rot 180:sc= -0.201 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= -0.542 USER MOD Single : A 66 THR OG1 : rot 99:sc= 0.0891 USER MOD Single : A 77 SER OG : rot 180:sc= 1.29 USER MOD Single : A 81 LYS NZ :NH3+ -124:sc= -4.11 (180deg=-7.45!) 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 180:sc= -0.0246 USER MOD Single : A 90 ASN : amide:sc= -2.7! C(o=-2.7!,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 110 N GLN A 10 50.298 -2.798 -5.278 1.00 0.00 N ATOM 111 CA GLN A 10 50.265 -3.642 -4.050 1.00 0.00 C ATOM 112 C GLN A 10 50.735 -2.841 -2.836 1.00 0.00 C ATOM 113 O GLN A 10 51.044 -3.392 -1.798 1.00 0.00 O ATOM 114 CB GLN A 10 51.186 -4.824 -4.334 1.00 0.00 C ATOM 115 CG GLN A 10 50.365 -5.943 -4.969 1.00 0.00 C ATOM 116 CD GLN A 10 51.198 -7.225 -5.028 1.00 0.00 C ATOM 117 OE1 GLN A 10 51.269 -7.963 -4.065 1.00 0.00 O ATOM 118 NE2 GLN A 10 51.835 -7.525 -6.127 1.00 0.00 N ATOM 0 HA GLN A 10 49.256 -3.983 -3.817 1.00 0.00 H new ATOM 0 HB2 GLN A 10 51.993 -4.522 -5.001 1.00 0.00 H new ATOM 0 HB3 GLN A 10 51.649 -5.172 -3.411 1.00 0.00 H new ATOM 0 HG2 GLN A 10 49.457 -6.114 -4.390 1.00 0.00 H new ATOM 0 HG3 GLN A 10 50.054 -5.654 -5.973 1.00 0.00 H new ATOM 0 HE21 GLN A 10 51.776 -6.906 -6.936 1.00 0.00 H new ATOM 0 HE22 GLN A 10 52.392 -8.378 -6.177 1.00 0.00 H new ATOM 127 N LEU A 11 50.763 -1.542 -2.948 1.00 0.00 N ATOM 128 CA LEU A 11 51.177 -0.709 -1.787 1.00 0.00 C ATOM 129 C LEU A 11 50.173 -0.922 -0.655 1.00 0.00 C ATOM 130 O LEU A 11 49.248 -0.154 -0.478 1.00 0.00 O ATOM 131 CB LEU A 11 51.140 0.732 -2.301 1.00 0.00 C ATOM 132 CG LEU A 11 51.790 1.673 -1.284 1.00 0.00 C ATOM 133 CD1 LEU A 11 53.066 1.038 -0.725 1.00 0.00 C ATOM 134 CD2 LEU A 11 52.140 2.993 -1.973 1.00 0.00 C ATOM 0 H LEU A 11 50.518 -1.023 -3.791 1.00 0.00 H new ATOM 0 HA LEU A 11 52.165 -0.958 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 11 51.663 0.799 -3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 11 50.109 1.035 -2.481 1.00 0.00 H new ATOM 0 HG LEU A 11 51.094 1.855 -0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 11 53.522 1.714 -0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 11 52.819 0.096 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 11 53.766 0.851 -1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 11 52.603 3.668 -1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 11 52.834 2.803 -2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 11 51.232 3.450 -2.366 1.00 0.00 H new ATOM 146 N SER A 12 50.345 -1.987 0.084 1.00 0.00 N ATOM 147 CA SER A 12 49.406 -2.317 1.203 1.00 0.00 C ATOM 148 C SER A 12 48.803 -1.058 1.834 1.00 0.00 C ATOM 149 O SER A 12 49.492 -0.101 2.125 1.00 0.00 O ATOM 150 CB SER A 12 50.264 -3.063 2.222 1.00 0.00 C ATOM 151 OG SER A 12 51.266 -2.189 2.722 1.00 0.00 O ATOM 0 H SER A 12 51.107 -2.653 -0.041 1.00 0.00 H new ATOM 0 HA SER A 12 48.560 -2.906 0.850 1.00 0.00 H new ATOM 0 HB2 SER A 12 49.643 -3.428 3.040 1.00 0.00 H new ATOM 0 HB3 SER A 12 50.725 -3.935 1.758 1.00 0.00 H new ATOM 0 HG SER A 12 52.095 -2.317 2.215 1.00 0.00 H new ATOM 157 N ALA A 13 47.514 -1.062 2.056 1.00 0.00 N ATOM 158 CA ALA A 13 46.856 0.122 2.678 1.00 0.00 C ATOM 159 C ALA A 13 47.627 0.546 3.928 1.00 0.00 C ATOM 160 O ALA A 13 47.546 1.674 4.371 1.00 0.00 O ATOM 161 CB ALA A 13 45.456 -0.362 3.054 1.00 0.00 C ATOM 0 H ALA A 13 46.889 -1.836 1.832 1.00 0.00 H new ATOM 0 HA ALA A 13 46.825 0.983 2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 13 44.902 0.453 3.520 1.00 0.00 H new ATOM 0 HB2 ALA A 13 44.931 -0.690 2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 13 45.534 -1.194 3.754 1.00 0.00 H new ATOM 167 N ASN A 14 48.372 -0.358 4.500 1.00 0.00 N ATOM 168 CA ASN A 14 49.149 -0.022 5.724 1.00 0.00 C ATOM 169 C ASN A 14 50.443 0.703 5.343 1.00 0.00 C ATOM 170 O ASN A 14 51.133 1.241 6.188 1.00 0.00 O ATOM 171 CB ASN A 14 49.450 -1.376 6.369 1.00 0.00 C ATOM 172 CG ASN A 14 50.109 -1.170 7.732 1.00 0.00 C ATOM 173 OD1 ASN A 14 50.140 -2.160 8.583 1.00 0.00 O flip ATOM 174 ND2 ASN A 14 50.604 -0.100 8.026 1.00 0.00 N flip ATOM 0 H ASN A 14 48.476 -1.318 4.171 1.00 0.00 H new ATOM 0 HA ASN A 14 48.609 0.641 6.400 1.00 0.00 H new ATOM 0 HB2 ASN A 14 48.528 -1.946 6.484 1.00 0.00 H new ATOM 0 HB3 ASN A 14 50.107 -1.958 5.723 1.00 0.00 H new ATOM 0 HD21 ASN A 14 50.580 0.673 7.361 1.00 0.00 H new ATOM 0 HD22 ASN A 14 51.044 0.025 8.938 1.00 0.00 H new ATOM 181 N SER A 15 50.775 0.734 4.080 1.00 0.00 N ATOM 182 CA SER A 15 52.018 1.437 3.659 1.00 0.00 C ATOM 183 C SER A 15 51.765 2.947 3.602 1.00 0.00 C ATOM 184 O SER A 15 50.725 3.426 4.011 1.00 0.00 O ATOM 185 CB SER A 15 52.334 0.889 2.269 1.00 0.00 C ATOM 186 OG SER A 15 53.500 1.529 1.770 1.00 0.00 O ATOM 0 H SER A 15 50.240 0.304 3.325 1.00 0.00 H new ATOM 0 HA SER A 15 52.844 1.276 4.351 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.488 -0.189 2.316 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.494 1.062 1.597 1.00 0.00 H new ATOM 0 HG SER A 15 54.187 1.548 2.468 1.00 0.00 H new ATOM 192 N LYS A 16 52.698 3.700 3.091 1.00 0.00 N ATOM 193 CA LYS A 16 52.494 5.177 3.000 1.00 0.00 C ATOM 194 C LYS A 16 52.565 5.616 1.536 1.00 0.00 C ATOM 195 O LYS A 16 53.032 4.886 0.685 1.00 0.00 O ATOM 196 CB LYS A 16 53.636 5.791 3.809 1.00 0.00 C ATOM 197 CG LYS A 16 53.231 7.189 4.281 1.00 0.00 C ATOM 198 CD LYS A 16 53.608 7.359 5.753 1.00 0.00 C ATOM 199 CE LYS A 16 52.470 8.069 6.492 1.00 0.00 C ATOM 200 NZ LYS A 16 53.123 8.763 7.636 1.00 0.00 N ATOM 0 H LYS A 16 53.591 3.361 2.733 1.00 0.00 H new ATOM 0 HA LYS A 16 51.523 5.490 3.383 1.00 0.00 H new ATOM 0 HB2 LYS A 16 53.870 5.159 4.666 1.00 0.00 H new ATOM 0 HB3 LYS A 16 54.538 5.848 3.200 1.00 0.00 H new ATOM 0 HG2 LYS A 16 53.730 7.947 3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 16 52.158 7.332 4.150 1.00 0.00 H new ATOM 0 HD2 LYS A 16 53.799 6.386 6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 16 54.528 7.936 5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 16 51.959 8.778 5.841 1.00 0.00 H new ATOM 0 HE3 LYS A 16 51.721 7.357 6.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 52.404 9.272 8.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 53.595 8.063 8.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 53.826 9.439 7.276 1.00 0.00 H new ATOM 214 N CYS A 17 52.097 6.795 1.229 1.00 0.00 N ATOM 215 CA CYS A 17 52.134 7.255 -0.189 1.00 0.00 C ATOM 216 C CYS A 17 52.638 8.697 -0.290 1.00 0.00 C ATOM 217 O CYS A 17 53.228 9.086 -1.277 1.00 0.00 O ATOM 218 CB CYS A 17 50.686 7.158 -0.666 1.00 0.00 C ATOM 219 SG CYS A 17 50.359 5.475 -1.237 1.00 0.00 S ATOM 0 H CYS A 17 51.693 7.456 1.893 1.00 0.00 H new ATOM 0 HA CYS A 17 52.813 6.654 -0.793 1.00 0.00 H new ATOM 0 HB2 CYS A 17 50.005 7.418 0.145 1.00 0.00 H new ATOM 0 HB3 CYS A 17 50.508 7.869 -1.472 1.00 0.00 H new ATOM 0 HG CYS A 17 50.630 5.387 -2.505 1.00 0.00 H new ATOM 224 N GLU A 18 52.411 9.495 0.717 1.00 0.00 N ATOM 225 CA GLU A 18 52.882 10.908 0.660 1.00 0.00 C ATOM 226 C GLU A 18 54.307 10.970 0.097 1.00 0.00 C ATOM 227 O GLU A 18 55.231 10.426 0.667 1.00 0.00 O ATOM 228 CB GLU A 18 52.859 11.394 2.108 1.00 0.00 C ATOM 229 CG GLU A 18 53.199 12.884 2.147 1.00 0.00 C ATOM 230 CD GLU A 18 51.928 13.702 1.917 1.00 0.00 C ATOM 231 OE1 GLU A 18 50.958 13.131 1.447 1.00 0.00 O ATOM 232 OE2 GLU A 18 51.946 14.885 2.213 1.00 0.00 O ATOM 0 H GLU A 18 51.922 9.232 1.573 1.00 0.00 H new ATOM 0 HA GLU A 18 52.257 11.524 0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 18 51.876 11.222 2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 18 53.576 10.830 2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 18 53.641 13.142 3.109 1.00 0.00 H new ATOM 0 HG3 GLU A 18 53.939 13.119 1.382 1.00 0.00 H new ATOM 239 N LYS A 19 54.486 11.628 -1.018 1.00 0.00 N ATOM 240 CA LYS A 19 55.849 11.729 -1.625 1.00 0.00 C ATOM 241 C LYS A 19 56.470 10.337 -1.788 1.00 0.00 C ATOM 242 O LYS A 19 56.849 9.700 -0.826 1.00 0.00 O ATOM 243 CB LYS A 19 56.664 12.571 -0.642 1.00 0.00 C ATOM 244 CG LYS A 19 57.342 13.717 -1.398 1.00 0.00 C ATOM 245 CD LYS A 19 58.858 13.631 -1.210 1.00 0.00 C ATOM 246 CE LYS A 19 59.531 13.441 -2.574 1.00 0.00 C ATOM 247 NZ LYS A 19 60.695 12.548 -2.317 1.00 0.00 N ATOM 0 H LYS A 19 53.746 12.101 -1.537 1.00 0.00 H new ATOM 0 HA LYS A 19 55.821 12.177 -2.618 1.00 0.00 H new ATOM 0 HB2 LYS A 19 56.016 12.969 0.139 1.00 0.00 H new ATOM 0 HB3 LYS A 19 57.413 11.952 -0.149 1.00 0.00 H new ATOM 0 HG2 LYS A 19 57.093 13.664 -2.458 1.00 0.00 H new ATOM 0 HG3 LYS A 19 56.974 14.675 -1.032 1.00 0.00 H new ATOM 0 HD2 LYS A 19 59.228 14.538 -0.733 1.00 0.00 H new ATOM 0 HD3 LYS A 19 59.107 12.800 -0.550 1.00 0.00 H new ATOM 0 HE2 LYS A 19 58.844 12.995 -3.293 1.00 0.00 H new ATOM 0 HE3 LYS A 19 59.852 14.396 -2.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 61.203 12.375 -3.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 61.336 13.001 -1.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 60.360 11.644 -1.928 1.00 0.00 H new ATOM 261 N SER A 20 56.579 9.858 -2.999 1.00 0.00 N ATOM 262 CA SER A 20 57.177 8.507 -3.210 1.00 0.00 C ATOM 263 C SER A 20 57.176 8.135 -4.696 1.00 0.00 C ATOM 264 O SER A 20 56.287 8.498 -5.440 1.00 0.00 O ATOM 265 CB SER A 20 56.278 7.559 -2.421 1.00 0.00 C ATOM 266 OG SER A 20 54.918 7.898 -2.660 1.00 0.00 O ATOM 0 H SER A 20 56.282 10.341 -3.847 1.00 0.00 H new ATOM 0 HA SER A 20 58.216 8.464 -2.883 1.00 0.00 H new ATOM 0 HB2 SER A 20 56.466 6.528 -2.719 1.00 0.00 H new ATOM 0 HB3 SER A 20 56.501 7.629 -1.356 1.00 0.00 H new ATOM 0 HG SER A 20 54.494 8.165 -1.817 1.00 0.00 H new ATOM 272 N THR A 21 58.169 7.405 -5.127 1.00 0.00 N ATOM 273 CA THR A 21 58.242 6.991 -6.559 1.00 0.00 C ATOM 274 C THR A 21 58.712 5.536 -6.648 1.00 0.00 C ATOM 275 O THR A 21 59.883 5.260 -6.817 1.00 0.00 O ATOM 276 CB THR A 21 59.266 7.933 -7.194 1.00 0.00 C ATOM 277 OG1 THR A 21 60.051 8.534 -6.171 1.00 0.00 O ATOM 278 CG2 THR A 21 58.537 9.021 -7.984 1.00 0.00 C ATOM 0 H THR A 21 58.939 7.075 -4.545 1.00 0.00 H new ATOM 0 HA THR A 21 57.278 7.050 -7.064 1.00 0.00 H new ATOM 0 HB THR A 21 59.913 7.369 -7.866 1.00 0.00 H new ATOM 0 HG1 THR A 21 60.709 9.137 -6.575 1.00 0.00 H new ATOM 0 HG21 THR A 21 59.266 9.693 -8.437 1.00 0.00 H new ATOM 0 HG22 THR A 21 57.934 8.560 -8.766 1.00 0.00 H new ATOM 0 HG23 THR A 21 57.891 9.587 -7.313 1.00 0.00 H new ATOM 286 N LEU A 22 57.806 4.605 -6.516 1.00 0.00 N ATOM 287 CA LEU A 22 58.195 3.165 -6.569 1.00 0.00 C ATOM 288 C LEU A 22 57.860 2.549 -7.930 1.00 0.00 C ATOM 289 O LEU A 22 57.425 3.218 -8.847 1.00 0.00 O ATOM 290 CB LEU A 22 57.354 2.495 -5.481 1.00 0.00 C ATOM 291 CG LEU A 22 57.497 3.245 -4.156 1.00 0.00 C ATOM 292 CD1 LEU A 22 56.723 2.489 -3.080 1.00 0.00 C ATOM 293 CD2 LEU A 22 58.971 3.324 -3.745 1.00 0.00 C ATOM 0 H LEU A 22 56.811 4.779 -6.373 1.00 0.00 H new ATOM 0 HA LEU A 22 59.267 3.035 -6.421 1.00 0.00 H new ATOM 0 HB2 LEU A 22 56.307 2.475 -5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 22 57.669 1.459 -5.355 1.00 0.00 H new ATOM 0 HG LEU A 22 57.106 4.256 -4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 22 56.816 3.013 -2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 22 55.671 2.431 -3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 22 57.128 1.482 -2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 22 59.057 3.861 -2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 22 59.371 2.317 -3.628 1.00 0.00 H new ATOM 0 HD23 LEU A 22 59.535 3.851 -4.514 1.00 0.00 H new ATOM 305 N THR A 23 58.054 1.262 -8.052 1.00 0.00 N ATOM 306 CA THR A 23 57.742 0.563 -9.335 1.00 0.00 C ATOM 307 C THR A 23 57.687 -0.948 -9.088 1.00 0.00 C ATOM 308 O THR A 23 58.609 -1.533 -8.557 1.00 0.00 O ATOM 309 CB THR A 23 58.887 0.920 -10.285 1.00 0.00 C ATOM 310 OG1 THR A 23 58.969 2.334 -10.413 1.00 0.00 O ATOM 311 CG2 THR A 23 58.619 0.297 -11.657 1.00 0.00 C ATOM 0 H THR A 23 58.418 0.660 -7.313 1.00 0.00 H new ATOM 0 HA THR A 23 56.780 0.861 -9.752 1.00 0.00 H new ATOM 0 HB THR A 23 59.827 0.536 -9.888 1.00 0.00 H new ATOM 0 HG1 THR A 23 58.079 2.726 -10.289 1.00 0.00 H new ATOM 0 HG21 THR A 23 59.433 0.549 -12.337 1.00 0.00 H new ATOM 0 HG22 THR A 23 58.552 -0.786 -11.558 1.00 0.00 H new ATOM 0 HG23 THR A 23 57.681 0.684 -12.055 1.00 0.00 H new ATOM 319 N ASN A 24 56.599 -1.579 -9.443 1.00 0.00 N ATOM 320 CA ASN A 24 56.477 -3.045 -9.196 1.00 0.00 C ATOM 321 C ASN A 24 56.815 -3.329 -7.738 1.00 0.00 C ATOM 322 O ASN A 24 57.810 -3.955 -7.429 1.00 0.00 O ATOM 323 CB ASN A 24 57.490 -3.716 -10.124 1.00 0.00 C ATOM 324 CG ASN A 24 56.937 -3.732 -11.551 1.00 0.00 C ATOM 325 OD1 ASN A 24 57.405 -2.892 -12.431 1.00 0.00 O flip ATOM 326 ND2 ASN A 24 56.067 -4.519 -11.866 1.00 0.00 N flip ATOM 0 H ASN A 24 55.793 -1.144 -9.892 1.00 0.00 H new ATOM 0 HA ASN A 24 55.471 -3.417 -9.388 1.00 0.00 H new ATOM 0 HB2 ASN A 24 58.438 -3.179 -10.095 1.00 0.00 H new ATOM 0 HB3 ASN A 24 57.690 -4.733 -9.788 1.00 0.00 H new ATOM 0 HD21 ASN A 24 55.701 -5.177 -11.178 1.00 0.00 H new ATOM 0 HD22 ASN A 24 55.703 -4.522 -12.819 1.00 0.00 H new ATOM 333 N CYS A 25 56.001 -2.860 -6.837 1.00 0.00 N ATOM 334 CA CYS A 25 56.280 -3.086 -5.395 1.00 0.00 C ATOM 335 C CYS A 25 55.094 -3.779 -4.723 1.00 0.00 C ATOM 336 O CYS A 25 54.022 -3.900 -5.283 1.00 0.00 O ATOM 337 CB CYS A 25 56.491 -1.685 -4.803 1.00 0.00 C ATOM 338 SG CYS A 25 57.941 -1.684 -3.719 1.00 0.00 S ATOM 0 H CYS A 25 55.153 -2.329 -7.038 1.00 0.00 H new ATOM 0 HA CYS A 25 57.147 -3.728 -5.242 1.00 0.00 H new ATOM 0 HB2 CYS A 25 56.625 -0.959 -5.605 1.00 0.00 H new ATOM 0 HB3 CYS A 25 55.607 -1.381 -4.242 1.00 0.00 H new ATOM 343 N TYR A 26 55.287 -4.215 -3.515 1.00 0.00 N ATOM 344 CA TYR A 26 54.200 -4.885 -2.755 1.00 0.00 C ATOM 345 C TYR A 26 54.405 -4.526 -1.293 1.00 0.00 C ATOM 346 O TYR A 26 54.168 -5.303 -0.388 1.00 0.00 O ATOM 347 CB TYR A 26 54.386 -6.384 -3.015 1.00 0.00 C ATOM 348 CG TYR A 26 53.364 -7.191 -2.241 1.00 0.00 C ATOM 349 CD1 TYR A 26 52.286 -6.559 -1.605 1.00 0.00 C ATOM 350 CD2 TYR A 26 53.496 -8.584 -2.168 1.00 0.00 C ATOM 351 CE1 TYR A 26 51.345 -7.320 -0.898 1.00 0.00 C ATOM 352 CE2 TYR A 26 52.556 -9.344 -1.461 1.00 0.00 C ATOM 353 CZ TYR A 26 51.481 -8.714 -0.826 1.00 0.00 C ATOM 354 OH TYR A 26 50.554 -9.465 -0.132 1.00 0.00 O ATOM 0 H TYR A 26 56.170 -4.134 -3.011 1.00 0.00 H new ATOM 0 HA TYR A 26 53.191 -4.588 -3.042 1.00 0.00 H new ATOM 0 HB2 TYR A 26 54.287 -6.589 -4.081 1.00 0.00 H new ATOM 0 HB3 TYR A 26 55.392 -6.687 -2.724 1.00 0.00 H new ATOM 0 HD1 TYR A 26 52.181 -5.486 -1.660 1.00 0.00 H new ATOM 0 HD2 TYR A 26 54.325 -9.073 -2.658 1.00 0.00 H new ATOM 0 HE1 TYR A 26 50.515 -6.833 -0.408 1.00 0.00 H new ATOM 0 HE2 TYR A 26 52.661 -10.417 -1.406 1.00 0.00 H new ATOM 0 HH TYR A 26 50.797 -10.413 -0.183 1.00 0.00 H new ATOM 364 N VAL A 27 54.878 -3.328 -1.094 1.00 0.00 N ATOM 365 CA VAL A 27 55.165 -2.804 0.271 1.00 0.00 C ATOM 366 C VAL A 27 54.225 -3.406 1.313 1.00 0.00 C ATOM 367 O VAL A 27 53.077 -3.702 1.044 1.00 0.00 O ATOM 368 CB VAL A 27 54.943 -1.293 0.169 1.00 0.00 C ATOM 369 CG1 VAL A 27 55.521 -0.605 1.408 1.00 0.00 C ATOM 370 CG2 VAL A 27 55.633 -0.747 -1.089 1.00 0.00 C ATOM 0 H VAL A 27 55.084 -2.670 -1.845 1.00 0.00 H new ATOM 0 HA VAL A 27 56.176 -3.060 0.589 1.00 0.00 H new ATOM 0 HB VAL A 27 53.873 -1.093 0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 27 55.362 0.471 1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 27 55.024 -0.985 2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 27 56.589 -0.810 1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 27 55.471 0.329 -1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 27 56.703 -0.950 -1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 27 55.216 -1.232 -1.972 1.00 0.00 H new ATOM 380 N ASP A 28 54.712 -3.575 2.507 1.00 0.00 N ATOM 381 CA ASP A 28 53.874 -4.140 3.596 1.00 0.00 C ATOM 382 C ASP A 28 54.357 -3.575 4.932 1.00 0.00 C ATOM 383 O ASP A 28 55.517 -3.685 5.277 1.00 0.00 O ATOM 384 CB ASP A 28 54.091 -5.653 3.521 1.00 0.00 C ATOM 385 CG ASP A 28 52.737 -6.360 3.471 1.00 0.00 C ATOM 386 OD1 ASP A 28 51.851 -5.949 4.202 1.00 0.00 O ATOM 387 OD2 ASP A 28 52.609 -7.300 2.704 1.00 0.00 O ATOM 0 H ASP A 28 55.667 -3.343 2.778 1.00 0.00 H new ATOM 0 HA ASP A 28 52.817 -3.893 3.501 1.00 0.00 H new ATOM 0 HB2 ASP A 28 54.677 -5.904 2.637 1.00 0.00 H new ATOM 0 HB3 ASP A 28 54.659 -5.993 4.387 1.00 0.00 H new ATOM 392 N LYS A 29 53.489 -2.947 5.675 1.00 0.00 N ATOM 393 CA LYS A 29 53.920 -2.353 6.971 1.00 0.00 C ATOM 394 C LYS A 29 55.204 -1.546 6.757 1.00 0.00 C ATOM 395 O LYS A 29 56.213 -1.781 7.388 1.00 0.00 O ATOM 396 CB LYS A 29 54.173 -3.541 7.899 1.00 0.00 C ATOM 397 CG LYS A 29 52.833 -4.104 8.376 1.00 0.00 C ATOM 398 CD LYS A 29 52.497 -3.534 9.756 1.00 0.00 C ATOM 399 CE LYS A 29 53.433 -4.135 10.806 1.00 0.00 C ATOM 400 NZ LYS A 29 52.741 -3.918 12.107 1.00 0.00 N ATOM 0 H LYS A 29 52.504 -2.820 5.442 1.00 0.00 H new ATOM 0 HA LYS A 29 53.175 -1.677 7.391 1.00 0.00 H new ATOM 0 HB2 LYS A 29 54.739 -4.312 7.376 1.00 0.00 H new ATOM 0 HB3 LYS A 29 54.774 -3.229 8.753 1.00 0.00 H new ATOM 0 HG2 LYS A 29 52.047 -3.849 7.665 1.00 0.00 H new ATOM 0 HG3 LYS A 29 52.880 -5.192 8.423 1.00 0.00 H new ATOM 0 HD2 LYS A 29 52.596 -2.449 9.745 1.00 0.00 H new ATOM 0 HD3 LYS A 29 51.460 -3.757 10.009 1.00 0.00 H new ATOM 0 HE2 LYS A 29 53.604 -5.196 10.622 1.00 0.00 H new ATOM 0 HE3 LYS A 29 54.408 -3.648 10.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 53.322 -4.304 12.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 52.598 -2.899 12.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 51.819 -4.399 12.094 1.00 0.00 H new ATOM 414 N SER A 30 55.172 -0.597 5.862 1.00 0.00 N ATOM 415 CA SER A 30 56.390 0.222 5.599 1.00 0.00 C ATOM 416 C SER A 30 55.994 1.669 5.316 1.00 0.00 C ATOM 417 O SER A 30 54.831 1.987 5.173 1.00 0.00 O ATOM 418 CB SER A 30 57.032 -0.403 4.363 1.00 0.00 C ATOM 419 OG SER A 30 57.167 -1.804 4.561 1.00 0.00 O ATOM 0 H SER A 30 54.356 -0.353 5.301 1.00 0.00 H new ATOM 0 HA SER A 30 57.071 0.233 6.450 1.00 0.00 H new ATOM 0 HB2 SER A 30 56.420 -0.206 3.482 1.00 0.00 H new ATOM 0 HB3 SER A 30 58.008 0.046 4.180 1.00 0.00 H new ATOM 0 HG SER A 30 56.296 -2.237 4.441 1.00 0.00 H new ATOM 425 N GLU A 31 56.950 2.547 5.230 1.00 0.00 N ATOM 426 CA GLU A 31 56.615 3.973 4.952 1.00 0.00 C ATOM 427 C GLU A 31 57.179 4.398 3.595 1.00 0.00 C ATOM 428 O GLU A 31 56.445 4.637 2.657 1.00 0.00 O ATOM 429 CB GLU A 31 57.268 4.764 6.083 1.00 0.00 C ATOM 430 CG GLU A 31 56.233 5.701 6.709 1.00 0.00 C ATOM 431 CD GLU A 31 56.668 6.068 8.128 1.00 0.00 C ATOM 432 OE1 GLU A 31 57.856 6.256 8.333 1.00 0.00 O ATOM 433 OE2 GLU A 31 55.805 6.153 8.987 1.00 0.00 O ATOM 0 H GLU A 31 57.944 2.344 5.339 1.00 0.00 H new ATOM 0 HA GLU A 31 55.539 4.142 4.910 1.00 0.00 H new ATOM 0 HB2 GLU A 31 57.662 4.083 6.837 1.00 0.00 H new ATOM 0 HB3 GLU A 31 58.111 5.339 5.700 1.00 0.00 H new ATOM 0 HG2 GLU A 31 56.130 6.602 6.104 1.00 0.00 H new ATOM 0 HG3 GLU A 31 55.256 5.218 6.730 1.00 0.00 H new ATOM 440 N VAL A 32 58.475 4.492 3.483 1.00 0.00 N ATOM 441 CA VAL A 32 59.089 4.902 2.185 1.00 0.00 C ATOM 442 C VAL A 32 58.741 6.359 1.867 1.00 0.00 C ATOM 443 O VAL A 32 57.654 6.822 2.148 1.00 0.00 O ATOM 444 CB VAL A 32 58.491 3.960 1.138 1.00 0.00 C ATOM 445 CG1 VAL A 32 59.362 3.986 -0.119 1.00 0.00 C ATOM 446 CG2 VAL A 32 58.449 2.532 1.693 1.00 0.00 C ATOM 0 H VAL A 32 59.138 4.303 4.235 1.00 0.00 H new ATOM 0 HA VAL A 32 60.177 4.837 2.209 1.00 0.00 H new ATOM 0 HB VAL A 32 57.479 4.284 0.894 1.00 0.00 H new ATOM 0 HG11 VAL A 32 58.940 3.316 -0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 32 59.396 5.000 -0.517 1.00 0.00 H new ATOM 0 HG13 VAL A 32 60.372 3.660 0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 32 58.023 1.863 0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 32 59.460 2.206 1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 32 57.834 2.509 2.593 1.00 0.00 H new ATOM 456 N TYR A 33 59.662 7.087 1.289 1.00 0.00 N ATOM 457 CA TYR A 33 59.390 8.518 0.961 1.00 0.00 C ATOM 458 C TYR A 33 59.929 8.866 -0.431 1.00 0.00 C ATOM 459 O TYR A 33 59.220 9.391 -1.266 1.00 0.00 O ATOM 460 CB TYR A 33 60.135 9.312 2.035 1.00 0.00 C ATOM 461 CG TYR A 33 59.354 9.260 3.325 1.00 0.00 C ATOM 462 CD1 TYR A 33 59.399 8.111 4.123 1.00 0.00 C ATOM 463 CD2 TYR A 33 58.584 10.359 3.719 1.00 0.00 C ATOM 464 CE1 TYR A 33 58.671 8.061 5.318 1.00 0.00 C ATOM 465 CE2 TYR A 33 57.856 10.310 4.914 1.00 0.00 C ATOM 466 CZ TYR A 33 57.899 9.161 5.713 1.00 0.00 C ATOM 467 OH TYR A 33 57.182 9.113 6.891 1.00 0.00 O ATOM 0 H TYR A 33 60.590 6.752 1.030 1.00 0.00 H new ATOM 0 HA TYR A 33 58.323 8.740 0.947 1.00 0.00 H new ATOM 0 HB2 TYR A 33 61.132 8.898 2.183 1.00 0.00 H new ATOM 0 HB3 TYR A 33 60.263 10.346 1.716 1.00 0.00 H new ATOM 0 HD1 TYR A 33 59.995 7.264 3.817 1.00 0.00 H new ATOM 0 HD2 TYR A 33 58.551 11.245 3.102 1.00 0.00 H new ATOM 0 HE1 TYR A 33 58.705 7.175 5.935 1.00 0.00 H new ATOM 0 HE2 TYR A 33 57.261 11.158 5.219 1.00 0.00 H new ATOM 0 HH TYR A 33 56.702 9.958 7.017 1.00 0.00 H new ATOM 477 N GLY A 34 61.177 8.585 -0.685 1.00 0.00 N ATOM 478 CA GLY A 34 61.754 8.907 -2.023 1.00 0.00 C ATOM 479 C GLY A 34 62.458 7.672 -2.589 1.00 0.00 C ATOM 480 O GLY A 34 63.280 7.768 -3.479 1.00 0.00 O ATOM 0 H GLY A 34 61.822 8.148 -0.027 1.00 0.00 H new ATOM 0 HA2 GLY A 34 60.965 9.232 -2.702 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.460 9.733 -1.937 1.00 0.00 H new ATOM 484 N THR A 35 62.147 6.514 -2.079 1.00 0.00 N ATOM 485 CA THR A 35 62.804 5.277 -2.589 1.00 0.00 C ATOM 486 C THR A 35 62.322 4.969 -4.010 1.00 0.00 C ATOM 487 O THR A 35 61.233 5.338 -4.404 1.00 0.00 O ATOM 488 CB THR A 35 62.384 4.171 -1.613 1.00 0.00 C ATOM 489 OG1 THR A 35 63.289 4.145 -0.519 1.00 0.00 O ATOM 490 CG2 THR A 35 62.401 2.808 -2.316 1.00 0.00 C ATOM 0 H THR A 35 61.467 6.369 -1.332 1.00 0.00 H new ATOM 0 HA THR A 35 63.888 5.374 -2.643 1.00 0.00 H new ATOM 0 HB THR A 35 61.374 4.375 -1.258 1.00 0.00 H new ATOM 0 HG1 THR A 35 63.123 4.917 0.061 1.00 0.00 H new ATOM 0 HG21 THR A 35 62.101 2.032 -1.612 1.00 0.00 H new ATOM 0 HG22 THR A 35 61.707 2.823 -3.157 1.00 0.00 H new ATOM 0 HG23 THR A 35 63.407 2.599 -2.680 1.00 0.00 H new ATOM 498 N THR A 36 63.127 4.291 -4.775 1.00 0.00 N ATOM 499 CA THR A 36 62.729 3.946 -6.166 1.00 0.00 C ATOM 500 C THR A 36 62.518 2.430 -6.280 1.00 0.00 C ATOM 501 O THR A 36 63.161 1.761 -7.066 1.00 0.00 O ATOM 502 CB THR A 36 63.908 4.408 -7.028 1.00 0.00 C ATOM 503 OG1 THR A 36 64.487 5.568 -6.443 1.00 0.00 O ATOM 504 CG2 THR A 36 63.420 4.741 -8.438 1.00 0.00 C ATOM 0 H THR A 36 64.050 3.959 -4.495 1.00 0.00 H new ATOM 0 HA THR A 36 61.796 4.417 -6.475 1.00 0.00 H new ATOM 0 HB THR A 36 64.650 3.612 -7.084 1.00 0.00 H new ATOM 0 HG1 THR A 36 65.243 5.867 -6.990 1.00 0.00 H new ATOM 0 HG21 THR A 36 64.263 5.069 -9.047 1.00 0.00 H new ATOM 0 HG22 THR A 36 62.972 3.855 -8.887 1.00 0.00 H new ATOM 0 HG23 THR A 36 62.677 5.537 -8.387 1.00 0.00 H new ATOM 512 N CYS A 37 61.624 1.888 -5.485 1.00 0.00 N ATOM 513 CA CYS A 37 61.362 0.414 -5.521 1.00 0.00 C ATOM 514 C CYS A 37 61.448 -0.123 -6.949 1.00 0.00 C ATOM 515 O CYS A 37 60.950 0.477 -7.879 1.00 0.00 O ATOM 516 CB CYS A 37 59.936 0.236 -4.990 1.00 0.00 C ATOM 517 SG CYS A 37 59.511 -1.528 -4.985 1.00 0.00 S ATOM 0 H CYS A 37 61.062 2.407 -4.810 1.00 0.00 H new ATOM 0 HA CYS A 37 62.098 -0.129 -4.928 1.00 0.00 H new ATOM 0 HB2 CYS A 37 59.858 0.643 -3.982 1.00 0.00 H new ATOM 0 HB3 CYS A 37 59.233 0.789 -5.612 1.00 0.00 H new ATOM 522 N THR A 38 62.062 -1.258 -7.123 1.00 0.00 N ATOM 523 CA THR A 38 62.167 -1.849 -8.484 1.00 0.00 C ATOM 524 C THR A 38 61.909 -3.355 -8.407 1.00 0.00 C ATOM 525 O THR A 38 62.816 -4.159 -8.503 1.00 0.00 O ATOM 526 CB THR A 38 63.597 -1.561 -8.943 1.00 0.00 C ATOM 527 OG1 THR A 38 63.808 -0.157 -8.971 1.00 0.00 O ATOM 528 CG2 THR A 38 63.810 -2.137 -10.344 1.00 0.00 C ATOM 0 H THR A 38 62.497 -1.804 -6.379 1.00 0.00 H new ATOM 0 HA THR A 38 61.439 -1.432 -9.180 1.00 0.00 H new ATOM 0 HB THR A 38 64.302 -2.022 -8.251 1.00 0.00 H new ATOM 0 HG1 THR A 38 64.466 0.061 -9.664 1.00 0.00 H new ATOM 0 HG21 THR A 38 64.829 -1.931 -10.671 1.00 0.00 H new ATOM 0 HG22 THR A 38 63.646 -3.214 -10.323 1.00 0.00 H new ATOM 0 HG23 THR A 38 63.107 -1.676 -11.038 1.00 0.00 H new ATOM 536 N GLY A 39 60.673 -3.740 -8.229 1.00 0.00 N ATOM 537 CA GLY A 39 60.344 -5.190 -8.139 1.00 0.00 C ATOM 538 C GLY A 39 60.741 -5.728 -6.761 1.00 0.00 C ATOM 539 O GLY A 39 61.513 -6.660 -6.647 1.00 0.00 O ATOM 0 H GLY A 39 59.876 -3.110 -8.142 1.00 0.00 H new ATOM 0 HA2 GLY A 39 59.277 -5.341 -8.305 1.00 0.00 H new ATOM 0 HA3 GLY A 39 60.869 -5.741 -8.920 1.00 0.00 H new ATOM 543 N SER A 40 60.216 -5.152 -5.711 1.00 0.00 N ATOM 544 CA SER A 40 60.559 -5.633 -4.338 1.00 0.00 C ATOM 545 C SER A 40 59.356 -5.461 -3.401 1.00 0.00 C ATOM 546 O SER A 40 58.318 -4.969 -3.796 1.00 0.00 O ATOM 547 CB SER A 40 61.724 -4.753 -3.883 1.00 0.00 C ATOM 548 OG SER A 40 62.520 -4.410 -5.010 1.00 0.00 O ATOM 0 H SER A 40 59.564 -4.368 -5.744 1.00 0.00 H new ATOM 0 HA SER A 40 60.823 -6.691 -4.327 1.00 0.00 H new ATOM 0 HB2 SER A 40 61.347 -3.851 -3.401 1.00 0.00 H new ATOM 0 HB3 SER A 40 62.327 -5.281 -3.144 1.00 0.00 H new ATOM 0 HG SER A 40 62.933 -3.533 -4.864 1.00 0.00 H new ATOM 554 N ARG A 41 59.489 -5.864 -2.166 1.00 0.00 N ATOM 555 CA ARG A 41 58.350 -5.725 -1.208 1.00 0.00 C ATOM 556 C ARG A 41 58.879 -5.550 0.221 1.00 0.00 C ATOM 557 O ARG A 41 59.955 -6.001 0.552 1.00 0.00 O ATOM 558 CB ARG A 41 57.571 -7.035 -1.338 1.00 0.00 C ATOM 559 CG ARG A 41 56.408 -7.046 -0.344 1.00 0.00 C ATOM 560 CD ARG A 41 56.383 -8.387 0.391 1.00 0.00 C ATOM 561 NE ARG A 41 55.118 -8.371 1.175 1.00 0.00 N ATOM 562 CZ ARG A 41 54.770 -9.417 1.876 1.00 0.00 C ATOM 563 NH1 ARG A 41 55.589 -9.908 2.766 1.00 0.00 N ATOM 564 NH2 ARG A 41 53.605 -9.972 1.685 1.00 0.00 N ATOM 0 H ARG A 41 60.334 -6.283 -1.778 1.00 0.00 H new ATOM 0 HA ARG A 41 57.728 -4.856 -1.422 1.00 0.00 H new ATOM 0 HB2 ARG A 41 57.194 -7.145 -2.355 1.00 0.00 H new ATOM 0 HB3 ARG A 41 58.231 -7.882 -1.149 1.00 0.00 H new ATOM 0 HG2 ARG A 41 56.517 -6.229 0.370 1.00 0.00 H new ATOM 0 HG3 ARG A 41 55.465 -6.888 -0.868 1.00 0.00 H new ATOM 0 HD2 ARG A 41 56.403 -9.222 -0.310 1.00 0.00 H new ATOM 0 HD3 ARG A 41 57.250 -8.497 1.042 1.00 0.00 H new ATOM 0 HE ARG A 41 54.522 -7.543 1.165 1.00 0.00 H new ATOM 0 HH11 ARG A 41 56.501 -9.475 2.914 1.00 0.00 H new ATOM 0 HH12 ARG A 41 55.317 -10.725 3.313 1.00 0.00 H new ATOM 0 HH21 ARG A 41 52.966 -9.589 0.988 1.00 0.00 H new ATOM 0 HH22 ARG A 41 53.333 -10.789 2.232 1.00 0.00 H new ATOM 578 N PHE A 42 58.127 -4.900 1.073 1.00 0.00 N ATOM 579 CA PHE A 42 58.593 -4.702 2.478 1.00 0.00 C ATOM 580 C PHE A 42 57.665 -5.423 3.459 1.00 0.00 C ATOM 581 O PHE A 42 56.732 -6.099 3.071 1.00 0.00 O ATOM 582 CB PHE A 42 58.530 -3.192 2.724 1.00 0.00 C ATOM 583 CG PHE A 42 59.198 -2.452 1.594 1.00 0.00 C ATOM 584 CD1 PHE A 42 60.309 -3.005 0.949 1.00 0.00 C ATOM 585 CD2 PHE A 42 58.709 -1.199 1.200 1.00 0.00 C ATOM 586 CE1 PHE A 42 60.932 -2.307 -0.092 1.00 0.00 C ATOM 587 CE2 PHE A 42 59.334 -0.502 0.162 1.00 0.00 C ATOM 588 CZ PHE A 42 60.443 -1.054 -0.483 1.00 0.00 C ATOM 0 H PHE A 42 57.214 -4.499 0.857 1.00 0.00 H new ATOM 0 HA PHE A 42 59.596 -5.102 2.624 1.00 0.00 H new ATOM 0 HB2 PHE A 42 57.491 -2.874 2.813 1.00 0.00 H new ATOM 0 HB3 PHE A 42 59.020 -2.949 3.667 1.00 0.00 H new ATOM 0 HD1 PHE A 42 60.686 -3.970 1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 42 57.851 -0.773 1.698 1.00 0.00 H new ATOM 0 HE1 PHE A 42 61.788 -2.734 -0.593 1.00 0.00 H new ATOM 0 HE2 PHE A 42 58.959 0.464 -0.142 1.00 0.00 H new ATOM 0 HZ PHE A 42 60.924 -0.514 -1.285 1.00 0.00 H new ATOM 598 N ASP A 43 57.912 -5.270 4.732 1.00 0.00 N ATOM 599 CA ASP A 43 57.048 -5.930 5.751 1.00 0.00 C ATOM 600 C ASP A 43 57.385 -5.407 7.146 1.00 0.00 C ATOM 601 O ASP A 43 57.610 -6.164 8.070 1.00 0.00 O ATOM 602 CB ASP A 43 57.356 -7.424 5.636 1.00 0.00 C ATOM 603 CG ASP A 43 56.071 -8.223 5.856 1.00 0.00 C ATOM 604 OD1 ASP A 43 55.352 -7.903 6.788 1.00 0.00 O ATOM 605 OD2 ASP A 43 55.826 -9.139 5.088 1.00 0.00 O ATOM 0 H ASP A 43 58.678 -4.714 5.111 1.00 0.00 H new ATOM 0 HA ASP A 43 55.989 -5.728 5.588 1.00 0.00 H new ATOM 0 HB2 ASP A 43 57.773 -7.647 4.654 1.00 0.00 H new ATOM 0 HB3 ASP A 43 58.107 -7.710 6.373 1.00 0.00 H new ATOM 610 N GLY A 44 57.415 -4.112 7.306 1.00 0.00 N ATOM 611 CA GLY A 44 57.729 -3.532 8.640 1.00 0.00 C ATOM 612 C GLY A 44 59.005 -2.691 8.550 1.00 0.00 C ATOM 613 O GLY A 44 59.991 -2.982 9.197 1.00 0.00 O ATOM 0 H GLY A 44 57.235 -3.431 6.569 1.00 0.00 H new ATOM 0 HA2 GLY A 44 56.899 -2.915 8.983 1.00 0.00 H new ATOM 0 HA3 GLY A 44 57.858 -4.329 9.372 1.00 0.00 H new ATOM 617 N VAL A 45 59.007 -1.655 7.751 1.00 0.00 N ATOM 618 CA VAL A 45 60.246 -0.824 7.644 1.00 0.00 C ATOM 619 C VAL A 45 59.891 0.663 7.548 1.00 0.00 C ATOM 620 O VAL A 45 58.762 1.062 7.757 1.00 0.00 O ATOM 621 CB VAL A 45 60.958 -1.302 6.364 1.00 0.00 C ATOM 622 CG1 VAL A 45 60.730 -2.797 6.173 1.00 0.00 C ATOM 623 CG2 VAL A 45 60.417 -0.554 5.147 1.00 0.00 C ATOM 0 H VAL A 45 58.220 -1.351 7.177 1.00 0.00 H new ATOM 0 HA VAL A 45 60.884 -0.936 8.521 1.00 0.00 H new ATOM 0 HB VAL A 45 62.025 -1.102 6.465 1.00 0.00 H new ATOM 0 HG11 VAL A 45 61.236 -3.129 5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 45 61.129 -3.338 7.031 1.00 0.00 H new ATOM 0 HG13 VAL A 45 59.662 -2.994 6.085 1.00 0.00 H new ATOM 0 HG21 VAL A 45 60.929 -0.901 4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 45 59.348 -0.741 5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 45 60.588 0.515 5.271 1.00 0.00 H new ATOM 633 N THR A 46 60.856 1.479 7.228 1.00 0.00 N ATOM 634 CA THR A 46 60.596 2.938 7.109 1.00 0.00 C ATOM 635 C THR A 46 61.703 3.599 6.285 1.00 0.00 C ATOM 636 O THR A 46 62.318 4.558 6.708 1.00 0.00 O ATOM 637 CB THR A 46 60.610 3.465 8.543 1.00 0.00 C ATOM 638 OG1 THR A 46 59.565 2.848 9.285 1.00 0.00 O ATOM 639 CG2 THR A 46 60.404 4.981 8.531 1.00 0.00 C ATOM 0 H THR A 46 61.818 1.195 7.043 1.00 0.00 H new ATOM 0 HA THR A 46 59.651 3.151 6.609 1.00 0.00 H new ATOM 0 HB THR A 46 61.569 3.233 9.007 1.00 0.00 H new ATOM 0 HG1 THR A 46 58.876 2.520 8.670 1.00 0.00 H new ATOM 0 HG21 THR A 46 60.414 5.358 9.554 1.00 0.00 H new ATOM 0 HG22 THR A 46 61.206 5.453 7.963 1.00 0.00 H new ATOM 0 HG23 THR A 46 59.445 5.214 8.068 1.00 0.00 H new ATOM 647 N ILE A 47 61.962 3.095 5.110 1.00 0.00 N ATOM 648 CA ILE A 47 63.028 3.700 4.263 1.00 0.00 C ATOM 649 C ILE A 47 62.540 5.035 3.690 1.00 0.00 C ATOM 650 O ILE A 47 61.377 5.371 3.789 1.00 0.00 O ATOM 651 CB ILE A 47 63.277 2.680 3.147 1.00 0.00 C ATOM 652 CG1 ILE A 47 64.481 3.122 2.307 1.00 0.00 C ATOM 653 CG2 ILE A 47 62.038 2.581 2.253 1.00 0.00 C ATOM 654 CD1 ILE A 47 64.851 2.014 1.319 1.00 0.00 C ATOM 0 H ILE A 47 61.483 2.293 4.701 1.00 0.00 H new ATOM 0 HA ILE A 47 63.940 3.910 4.822 1.00 0.00 H new ATOM 0 HB ILE A 47 63.481 1.705 3.589 1.00 0.00 H new ATOM 0 HG12 ILE A 47 64.244 4.040 1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 47 65.329 3.343 2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 47 62.218 1.855 1.460 1.00 0.00 H new ATOM 0 HG22 ILE A 47 61.183 2.262 2.850 1.00 0.00 H new ATOM 0 HG23 ILE A 47 61.829 3.555 1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 47 65.707 2.329 0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 47 65.105 1.107 1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 47 64.004 1.815 0.662 1.00 0.00 H new ATOM 666 N THR A 48 63.416 5.799 3.099 1.00 0.00 N ATOM 667 CA THR A 48 62.996 7.112 2.523 1.00 0.00 C ATOM 668 C THR A 48 63.669 7.317 1.163 1.00 0.00 C ATOM 669 O THR A 48 63.793 6.396 0.382 1.00 0.00 O ATOM 670 CB THR A 48 63.477 8.166 3.527 1.00 0.00 C ATOM 671 OG1 THR A 48 64.888 8.079 3.662 1.00 0.00 O ATOM 672 CG2 THR A 48 62.818 7.926 4.885 1.00 0.00 C ATOM 0 H THR A 48 64.405 5.573 2.989 1.00 0.00 H new ATOM 0 HA THR A 48 61.919 7.172 2.365 1.00 0.00 H new ATOM 0 HB THR A 48 63.205 9.158 3.167 1.00 0.00 H new ATOM 0 HG1 THR A 48 65.145 8.326 4.575 1.00 0.00 H new ATOM 0 HG21 THR A 48 63.163 8.678 5.595 1.00 0.00 H new ATOM 0 HG22 THR A 48 61.735 7.995 4.781 1.00 0.00 H new ATOM 0 HG23 THR A 48 63.085 6.934 5.249 1.00 0.00 H new ATOM 680 N THR A 49 64.114 8.513 0.877 1.00 0.00 N ATOM 681 CA THR A 49 64.787 8.765 -0.429 1.00 0.00 C ATOM 682 C THR A 49 66.000 7.847 -0.570 1.00 0.00 C ATOM 683 O THR A 49 67.116 8.251 -0.333 1.00 0.00 O ATOM 684 CB THR A 49 65.239 10.224 -0.369 1.00 0.00 C ATOM 685 OG1 THR A 49 64.102 11.075 -0.372 1.00 0.00 O ATOM 686 CG2 THR A 49 66.118 10.535 -1.581 1.00 0.00 C ATOM 0 H THR A 49 64.040 9.324 1.491 1.00 0.00 H new ATOM 0 HA THR A 49 64.129 8.575 -1.277 1.00 0.00 H new ATOM 0 HB THR A 49 65.810 10.390 0.544 1.00 0.00 H new ATOM 0 HG1 THR A 49 64.393 12.010 -0.332 1.00 0.00 H new ATOM 0 HG21 THR A 49 66.441 11.575 -1.539 1.00 0.00 H new ATOM 0 HG22 THR A 49 66.992 9.883 -1.574 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.549 10.368 -2.496 1.00 0.00 H new ATOM 694 N SER A 50 65.794 6.618 -0.945 1.00 0.00 N ATOM 695 CA SER A 50 66.950 5.688 -1.080 1.00 0.00 C ATOM 696 C SER A 50 66.764 4.777 -2.294 1.00 0.00 C ATOM 697 O SER A 50 65.677 4.312 -2.575 1.00 0.00 O ATOM 698 CB SER A 50 66.943 4.875 0.214 1.00 0.00 C ATOM 699 OG SER A 50 67.894 3.824 0.118 1.00 0.00 O ATOM 0 H SER A 50 64.882 6.217 -1.163 1.00 0.00 H new ATOM 0 HA SER A 50 67.893 6.214 -1.230 1.00 0.00 H new ATOM 0 HB2 SER A 50 67.180 5.518 1.061 1.00 0.00 H new ATOM 0 HB3 SER A 50 65.949 4.465 0.393 1.00 0.00 H new ATOM 0 HG SER A 50 68.608 4.084 -0.501 1.00 0.00 H new ATOM 705 N THR A 51 67.818 4.518 -3.018 1.00 0.00 N ATOM 706 CA THR A 51 67.702 3.642 -4.211 1.00 0.00 C ATOM 707 C THR A 51 67.779 2.171 -3.788 1.00 0.00 C ATOM 708 O THR A 51 68.650 1.776 -3.039 1.00 0.00 O ATOM 709 CB THR A 51 68.898 4.017 -5.091 1.00 0.00 C ATOM 710 OG1 THR A 51 69.646 5.058 -4.467 1.00 0.00 O ATOM 711 CG2 THR A 51 68.401 4.488 -6.460 1.00 0.00 C ATOM 0 H THR A 51 68.754 4.877 -2.832 1.00 0.00 H new ATOM 0 HA THR A 51 66.756 3.772 -4.736 1.00 0.00 H new ATOM 0 HB THR A 51 69.538 3.144 -5.221 1.00 0.00 H new ATOM 0 HG1 THR A 51 69.668 5.842 -5.054 1.00 0.00 H new ATOM 0 HG21 THR A 51 69.254 4.754 -7.085 1.00 0.00 H new ATOM 0 HG22 THR A 51 67.837 3.687 -6.938 1.00 0.00 H new ATOM 0 HG23 THR A 51 67.758 5.359 -6.334 1.00 0.00 H new ATOM 719 N SER A 52 66.870 1.361 -4.257 1.00 0.00 N ATOM 720 CA SER A 52 66.888 -0.081 -3.878 1.00 0.00 C ATOM 721 C SER A 52 66.261 -0.921 -4.992 1.00 0.00 C ATOM 722 O SER A 52 65.170 -0.643 -5.447 1.00 0.00 O ATOM 723 CB SER A 52 66.046 -0.164 -2.604 1.00 0.00 C ATOM 724 OG SER A 52 65.559 -1.490 -2.446 1.00 0.00 O ATOM 0 H SER A 52 66.115 1.635 -4.886 1.00 0.00 H new ATOM 0 HA SER A 52 67.899 -0.459 -3.723 1.00 0.00 H new ATOM 0 HB2 SER A 52 66.646 0.120 -1.739 1.00 0.00 H new ATOM 0 HB3 SER A 52 65.213 0.537 -2.659 1.00 0.00 H new ATOM 0 HG SER A 52 64.788 -1.485 -1.842 1.00 0.00 H new ATOM 730 N THR A 53 66.937 -1.946 -5.437 1.00 0.00 N ATOM 731 CA THR A 53 66.359 -2.790 -6.521 1.00 0.00 C ATOM 732 C THR A 53 66.387 -4.263 -6.115 1.00 0.00 C ATOM 733 O THR A 53 67.435 -4.872 -6.021 1.00 0.00 O ATOM 734 CB THR A 53 67.248 -2.544 -7.738 1.00 0.00 C ATOM 735 OG1 THR A 53 68.606 -2.766 -7.385 1.00 0.00 O ATOM 736 CG2 THR A 53 67.069 -1.102 -8.216 1.00 0.00 C ATOM 0 H THR A 53 67.856 -2.233 -5.100 1.00 0.00 H new ATOM 0 HA THR A 53 65.318 -2.541 -6.727 1.00 0.00 H new ATOM 0 HB THR A 53 66.967 -3.228 -8.539 1.00 0.00 H new ATOM 0 HG1 THR A 53 68.690 -3.635 -6.940 1.00 0.00 H new ATOM 0 HG21 THR A 53 67.703 -0.925 -9.085 1.00 0.00 H new ATOM 0 HG22 THR A 53 66.027 -0.936 -8.488 1.00 0.00 H new ATOM 0 HG23 THR A 53 67.349 -0.416 -7.417 1.00 0.00 H new ATOM 744 N GLY A 54 65.242 -4.838 -5.868 1.00 0.00 N ATOM 745 CA GLY A 54 65.203 -6.269 -5.460 1.00 0.00 C ATOM 746 C GLY A 54 65.814 -6.404 -4.069 1.00 0.00 C ATOM 747 O GLY A 54 66.983 -6.701 -3.921 1.00 0.00 O ATOM 0 H GLY A 54 64.333 -4.379 -5.931 1.00 0.00 H new ATOM 0 HA2 GLY A 54 64.175 -6.632 -5.457 1.00 0.00 H new ATOM 0 HA3 GLY A 54 65.755 -6.880 -6.175 1.00 0.00 H new ATOM 751 N SER A 55 65.038 -6.176 -3.045 1.00 0.00 N ATOM 752 CA SER A 55 65.584 -6.279 -1.664 1.00 0.00 C ATOM 753 C SER A 55 64.452 -6.432 -0.646 1.00 0.00 C ATOM 754 O SER A 55 63.524 -5.649 -0.611 1.00 0.00 O ATOM 755 CB SER A 55 66.320 -4.960 -1.439 1.00 0.00 C ATOM 756 OG SER A 55 65.420 -3.880 -1.659 1.00 0.00 O ATOM 0 H SER A 55 64.052 -5.923 -3.105 1.00 0.00 H new ATOM 0 HA SER A 55 66.234 -7.146 -1.544 1.00 0.00 H new ATOM 0 HB2 SER A 55 66.716 -4.919 -0.424 1.00 0.00 H new ATOM 0 HB3 SER A 55 67.171 -4.884 -2.116 1.00 0.00 H new ATOM 0 HG SER A 55 65.914 -3.109 -2.009 1.00 0.00 H new ATOM 762 N ARG A 56 64.531 -7.427 0.194 1.00 0.00 N ATOM 763 CA ARG A 56 63.470 -7.626 1.222 1.00 0.00 C ATOM 764 C ARG A 56 63.784 -6.772 2.453 1.00 0.00 C ATOM 765 O ARG A 56 64.646 -7.103 3.242 1.00 0.00 O ATOM 766 CB ARG A 56 63.537 -9.113 1.569 1.00 0.00 C ATOM 767 CG ARG A 56 62.125 -9.698 1.625 1.00 0.00 C ATOM 768 CD ARG A 56 62.141 -11.121 1.057 1.00 0.00 C ATOM 769 NE ARG A 56 62.124 -12.015 2.250 1.00 0.00 N ATOM 770 CZ ARG A 56 62.256 -13.305 2.103 1.00 0.00 C ATOM 771 NH1 ARG A 56 63.205 -13.781 1.343 1.00 0.00 N ATOM 772 NH2 ARG A 56 61.440 -14.120 2.714 1.00 0.00 N ATOM 0 H ARG A 56 65.286 -8.112 0.213 1.00 0.00 H new ATOM 0 HA ARG A 56 62.480 -7.336 0.870 1.00 0.00 H new ATOM 0 HB2 ARG A 56 64.130 -9.643 0.824 1.00 0.00 H new ATOM 0 HB3 ARG A 56 64.035 -9.249 2.529 1.00 0.00 H new ATOM 0 HG2 ARG A 56 61.765 -9.709 2.654 1.00 0.00 H new ATOM 0 HG3 ARG A 56 61.438 -9.074 1.053 1.00 0.00 H new ATOM 0 HD2 ARG A 56 61.277 -11.300 0.418 1.00 0.00 H new ATOM 0 HD3 ARG A 56 63.029 -11.293 0.448 1.00 0.00 H new ATOM 0 HE ARG A 56 62.009 -11.618 3.182 1.00 0.00 H new ATOM 0 HH11 ARG A 56 63.843 -13.145 0.865 1.00 0.00 H new ATOM 0 HH12 ARG A 56 63.309 -14.789 1.228 1.00 0.00 H new ATOM 0 HH21 ARG A 56 60.698 -13.749 3.307 1.00 0.00 H new ATOM 0 HH22 ARG A 56 61.544 -15.128 2.598 1.00 0.00 H new ATOM 786 N ILE A 57 63.104 -5.672 2.621 1.00 0.00 N ATOM 787 CA ILE A 57 63.385 -4.802 3.800 1.00 0.00 C ATOM 788 C ILE A 57 62.600 -5.286 5.023 1.00 0.00 C ATOM 789 O ILE A 57 62.534 -4.608 6.028 1.00 0.00 O ATOM 790 CB ILE A 57 62.929 -3.397 3.397 1.00 0.00 C ATOM 791 CG1 ILE A 57 63.344 -3.111 1.951 1.00 0.00 C ATOM 792 CG2 ILE A 57 63.581 -2.372 4.325 1.00 0.00 C ATOM 793 CD1 ILE A 57 64.824 -3.447 1.766 1.00 0.00 C ATOM 0 H ILE A 57 62.369 -5.338 1.997 1.00 0.00 H new ATOM 0 HA ILE A 57 64.441 -4.822 4.070 1.00 0.00 H new ATOM 0 HB ILE A 57 61.844 -3.331 3.478 1.00 0.00 H new ATOM 0 HG12 ILE A 57 62.738 -3.702 1.264 1.00 0.00 H new ATOM 0 HG13 ILE A 57 63.166 -2.063 1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 57 63.260 -1.369 4.043 1.00 0.00 H new ATOM 0 HG22 ILE A 57 63.283 -2.572 5.354 1.00 0.00 H new ATOM 0 HG23 ILE A 57 64.665 -2.443 4.241 1.00 0.00 H new ATOM 0 HD11 ILE A 57 65.118 -3.243 0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 57 65.423 -2.837 2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 57 64.988 -4.501 1.988 1.00 0.00 H new ATOM 805 N SER A 58 62.006 -6.451 4.944 1.00 0.00 N ATOM 806 CA SER A 58 61.222 -6.984 6.105 1.00 0.00 C ATOM 807 C SER A 58 61.887 -6.597 7.433 1.00 0.00 C ATOM 808 O SER A 58 63.096 -6.576 7.546 1.00 0.00 O ATOM 809 CB SER A 58 61.251 -8.501 5.929 1.00 0.00 C ATOM 810 OG SER A 58 59.986 -8.942 5.455 1.00 0.00 O ATOM 0 H SER A 58 62.029 -7.058 4.125 1.00 0.00 H new ATOM 0 HA SER A 58 60.209 -6.584 6.130 1.00 0.00 H new ATOM 0 HB2 SER A 58 62.034 -8.782 5.225 1.00 0.00 H new ATOM 0 HB3 SER A 58 61.486 -8.984 6.877 1.00 0.00 H new ATOM 0 HG SER A 58 60.001 -9.915 5.339 1.00 0.00 H new ATOM 816 N GLY A 59 61.110 -6.291 8.440 1.00 0.00 N ATOM 817 CA GLY A 59 61.713 -5.908 9.751 1.00 0.00 C ATOM 818 C GLY A 59 60.617 -5.520 10.747 1.00 0.00 C ATOM 819 O GLY A 59 59.606 -4.958 10.374 1.00 0.00 O ATOM 0 H GLY A 59 60.090 -6.290 8.412 1.00 0.00 H new ATOM 0 HA2 GLY A 59 62.296 -6.739 10.147 1.00 0.00 H new ATOM 0 HA3 GLY A 59 62.400 -5.073 9.613 1.00 0.00 H new ATOM 823 N PRO A 60 60.863 -5.830 11.993 1.00 0.00 N ATOM 824 CA PRO A 60 59.895 -5.505 13.068 1.00 0.00 C ATOM 825 C PRO A 60 59.973 -4.014 13.412 1.00 0.00 C ATOM 826 O PRO A 60 59.169 -3.492 14.159 1.00 0.00 O ATOM 827 CB PRO A 60 60.371 -6.354 14.244 1.00 0.00 C ATOM 828 CG PRO A 60 61.828 -6.589 13.997 1.00 0.00 C ATOM 829 CD PRO A 60 62.055 -6.514 12.507 1.00 0.00 C ATOM 0 HA PRO A 60 58.860 -5.707 12.793 1.00 0.00 H new ATOM 0 HB2 PRO A 60 60.211 -5.839 15.191 1.00 0.00 H new ATOM 0 HB3 PRO A 60 59.824 -7.295 14.296 1.00 0.00 H new ATOM 0 HG2 PRO A 60 62.430 -5.842 14.514 1.00 0.00 H new ATOM 0 HG3 PRO A 60 62.130 -7.563 14.382 1.00 0.00 H new ATOM 0 HD2 PRO A 60 62.964 -5.961 12.270 1.00 0.00 H new ATOM 0 HD3 PRO A 60 62.163 -7.507 12.071 1.00 0.00 H new ATOM 837 N GLY A 61 60.940 -3.327 12.869 1.00 0.00 N ATOM 838 CA GLY A 61 61.088 -1.871 13.153 1.00 0.00 C ATOM 839 C GLY A 61 62.210 -1.312 12.280 1.00 0.00 C ATOM 840 O GLY A 61 63.006 -0.500 12.711 1.00 0.00 O ATOM 0 H GLY A 61 61.639 -3.715 12.236 1.00 0.00 H new ATOM 0 HA2 GLY A 61 60.154 -1.349 12.947 1.00 0.00 H new ATOM 0 HA3 GLY A 61 61.315 -1.713 14.207 1.00 0.00 H new ATOM 844 N CYS A 62 62.287 -1.760 11.057 1.00 0.00 N ATOM 845 CA CYS A 62 63.367 -1.281 10.144 1.00 0.00 C ATOM 846 C CYS A 62 63.352 0.247 10.014 1.00 0.00 C ATOM 847 O CYS A 62 62.362 0.898 10.278 1.00 0.00 O ATOM 848 CB CYS A 62 63.058 -1.939 8.797 1.00 0.00 C ATOM 849 SG CYS A 62 64.382 -3.099 8.379 1.00 0.00 S ATOM 0 H CYS A 62 61.646 -2.440 10.648 1.00 0.00 H new ATOM 0 HA CYS A 62 64.357 -1.541 10.518 1.00 0.00 H new ATOM 0 HB2 CYS A 62 62.103 -2.462 8.846 1.00 0.00 H new ATOM 0 HB3 CYS A 62 62.966 -1.179 8.021 1.00 0.00 H new ATOM 854 N LYS A 63 64.455 0.812 9.602 1.00 0.00 N ATOM 855 CA LYS A 63 64.543 2.293 9.436 1.00 0.00 C ATOM 856 C LYS A 63 65.726 2.632 8.524 1.00 0.00 C ATOM 857 O LYS A 63 66.862 2.659 8.953 1.00 0.00 O ATOM 858 CB LYS A 63 64.770 2.843 10.848 1.00 0.00 C ATOM 859 CG LYS A 63 65.116 4.335 10.775 1.00 0.00 C ATOM 860 CD LYS A 63 65.876 4.746 12.042 1.00 0.00 C ATOM 861 CE LYS A 63 66.227 6.235 11.970 1.00 0.00 C ATOM 862 NZ LYS A 63 66.213 6.705 13.386 1.00 0.00 N ATOM 0 H LYS A 63 65.309 0.305 9.371 1.00 0.00 H new ATOM 0 HA LYS A 63 63.649 2.720 8.982 1.00 0.00 H new ATOM 0 HB2 LYS A 63 63.875 2.697 11.453 1.00 0.00 H new ATOM 0 HB3 LYS A 63 65.577 2.297 11.336 1.00 0.00 H new ATOM 0 HG2 LYS A 63 65.723 4.536 9.892 1.00 0.00 H new ATOM 0 HG3 LYS A 63 64.205 4.926 10.676 1.00 0.00 H new ATOM 0 HD2 LYS A 63 65.267 4.548 12.924 1.00 0.00 H new ATOM 0 HD3 LYS A 63 66.785 4.152 12.142 1.00 0.00 H new ATOM 0 HE2 LYS A 63 67.205 6.388 11.513 1.00 0.00 H new ATOM 0 HE3 LYS A 63 65.504 6.782 11.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 66.445 7.718 13.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 65.268 6.553 13.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 66.916 6.172 13.936 1.00 0.00 H new ATOM 876 N ILE A 64 65.471 2.875 7.267 1.00 0.00 N ATOM 877 CA ILE A 64 66.586 3.192 6.327 1.00 0.00 C ATOM 878 C ILE A 64 66.423 4.600 5.751 1.00 0.00 C ATOM 879 O ILE A 64 65.360 5.186 5.807 1.00 0.00 O ATOM 880 CB ILE A 64 66.465 2.159 5.206 1.00 0.00 C ATOM 881 CG1 ILE A 64 66.472 0.749 5.802 1.00 0.00 C ATOM 882 CG2 ILE A 64 67.638 2.313 4.236 1.00 0.00 C ATOM 883 CD1 ILE A 64 65.636 -0.178 4.920 1.00 0.00 C ATOM 0 H ILE A 64 64.540 2.868 6.850 1.00 0.00 H new ATOM 0 HA ILE A 64 67.555 3.158 6.825 1.00 0.00 H new ATOM 0 HB ILE A 64 65.530 2.318 4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 64 67.494 0.377 5.873 1.00 0.00 H new ATOM 0 HG13 ILE A 64 66.068 0.768 6.814 1.00 0.00 H new ATOM 0 HG21 ILE A 64 67.549 1.576 3.438 1.00 0.00 H new ATOM 0 HG22 ILE A 64 67.626 3.315 3.807 1.00 0.00 H new ATOM 0 HG23 ILE A 64 68.575 2.158 4.771 1.00 0.00 H new ATOM 0 HD11 ILE A 64 65.639 -1.183 5.342 1.00 0.00 H new ATOM 0 HD12 ILE A 64 64.612 0.192 4.872 1.00 0.00 H new ATOM 0 HD13 ILE A 64 66.060 -0.205 3.916 1.00 0.00 H new ATOM 895 N SER A 65 67.468 5.140 5.187 1.00 0.00 N ATOM 896 CA SER A 65 67.374 6.502 4.593 1.00 0.00 C ATOM 897 C SER A 65 68.263 6.598 3.350 1.00 0.00 C ATOM 898 O SER A 65 68.665 5.601 2.790 1.00 0.00 O ATOM 899 CB SER A 65 67.861 7.457 5.683 1.00 0.00 C ATOM 900 OG SER A 65 69.191 7.864 5.390 1.00 0.00 O ATOM 0 H SER A 65 68.383 4.696 5.112 1.00 0.00 H new ATOM 0 HA SER A 65 66.359 6.742 4.276 1.00 0.00 H new ATOM 0 HB2 SER A 65 67.206 8.327 5.740 1.00 0.00 H new ATOM 0 HB3 SER A 65 67.824 6.966 6.656 1.00 0.00 H new ATOM 0 HG SER A 65 69.506 8.478 6.086 1.00 0.00 H new ATOM 906 N THR A 66 68.549 7.796 2.918 1.00 0.00 N ATOM 907 CA THR A 66 69.394 8.002 1.698 1.00 0.00 C ATOM 908 C THR A 66 70.468 6.921 1.533 1.00 0.00 C ATOM 909 O THR A 66 71.604 7.101 1.921 1.00 0.00 O ATOM 910 CB THR A 66 70.050 9.363 1.906 1.00 0.00 C ATOM 911 OG1 THR A 66 69.093 10.269 2.437 1.00 0.00 O ATOM 912 CG2 THR A 66 70.566 9.888 0.565 1.00 0.00 C ATOM 0 H THR A 66 68.230 8.656 3.363 1.00 0.00 H new ATOM 0 HA THR A 66 68.786 7.949 0.795 1.00 0.00 H new ATOM 0 HB THR A 66 70.884 9.267 2.601 1.00 0.00 H new ATOM 0 HG1 THR A 66 69.210 10.336 3.408 1.00 0.00 H new ATOM 0 HG21 THR A 66 71.035 10.861 0.711 1.00 0.00 H new ATOM 0 HG22 THR A 66 71.297 9.190 0.158 1.00 0.00 H new ATOM 0 HG23 THR A 66 69.733 9.988 -0.131 1.00 0.00 H new ATOM 920 N CYS A 67 70.121 5.818 0.922 1.00 0.00 N ATOM 921 CA CYS A 67 71.119 4.734 0.689 1.00 0.00 C ATOM 922 C CYS A 67 70.926 4.170 -0.720 1.00 0.00 C ATOM 923 O CYS A 67 69.816 3.982 -1.172 1.00 0.00 O ATOM 924 CB CYS A 67 70.818 3.648 1.727 1.00 0.00 C ATOM 925 SG CYS A 67 71.921 2.241 1.446 1.00 0.00 S ATOM 0 H CYS A 67 69.183 5.621 0.573 1.00 0.00 H new ATOM 0 HA CYS A 67 72.143 5.096 0.779 1.00 0.00 H new ATOM 0 HB2 CYS A 67 70.958 4.041 2.734 1.00 0.00 H new ATOM 0 HB3 CYS A 67 69.778 3.332 1.650 1.00 0.00 H new ATOM 930 N ILE A 68 71.987 3.886 -1.416 1.00 0.00 N ATOM 931 CA ILE A 68 71.830 3.322 -2.785 1.00 0.00 C ATOM 932 C ILE A 68 71.962 1.806 -2.707 1.00 0.00 C ATOM 933 O ILE A 68 73.017 1.244 -2.926 1.00 0.00 O ATOM 934 CB ILE A 68 72.953 3.932 -3.622 1.00 0.00 C ATOM 935 CG1 ILE A 68 72.633 5.402 -3.922 1.00 0.00 C ATOM 936 CG2 ILE A 68 73.064 3.164 -4.939 1.00 0.00 C ATOM 937 CD1 ILE A 68 72.461 6.173 -2.611 1.00 0.00 C ATOM 0 H ILE A 68 72.949 4.018 -1.102 1.00 0.00 H new ATOM 0 HA ILE A 68 70.860 3.549 -3.227 1.00 0.00 H new ATOM 0 HB ILE A 68 73.893 3.871 -3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 68 73.435 5.845 -4.513 1.00 0.00 H new ATOM 0 HG13 ILE A 68 71.723 5.471 -4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 68 73.863 3.592 -5.544 1.00 0.00 H new ATOM 0 HG22 ILE A 68 73.287 2.117 -4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 68 72.121 3.234 -5.482 1.00 0.00 H new ATOM 0 HD11 ILE A 68 72.234 7.216 -2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 68 71.644 5.736 -2.037 1.00 0.00 H new ATOM 0 HD13 ILE A 68 73.383 6.116 -2.032 1.00 0.00 H new ATOM 949 N ILE A 69 70.895 1.146 -2.364 1.00 0.00 N ATOM 950 CA ILE A 69 70.935 -0.332 -2.230 1.00 0.00 C ATOM 951 C ILE A 69 70.567 -0.998 -3.562 1.00 0.00 C ATOM 952 O ILE A 69 69.878 -0.426 -4.383 1.00 0.00 O ATOM 953 CB ILE A 69 69.901 -0.640 -1.141 1.00 0.00 C ATOM 954 CG1 ILE A 69 70.100 0.318 0.048 1.00 0.00 C ATOM 955 CG2 ILE A 69 70.073 -2.081 -0.661 1.00 0.00 C ATOM 956 CD1 ILE A 69 68.831 0.351 0.900 1.00 0.00 C ATOM 0 H ILE A 69 69.989 1.572 -2.169 1.00 0.00 H new ATOM 0 HA ILE A 69 71.923 -0.710 -1.969 1.00 0.00 H new ATOM 0 HB ILE A 69 68.900 -0.509 -1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 69 70.947 -0.007 0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 69 70.333 1.319 -0.314 1.00 0.00 H new ATOM 0 HG21 ILE A 69 69.337 -2.297 0.113 1.00 0.00 H new ATOM 0 HG22 ILE A 69 69.929 -2.763 -1.499 1.00 0.00 H new ATOM 0 HG23 ILE A 69 71.076 -2.212 -0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 69 68.975 1.030 1.741 1.00 0.00 H new ATOM 0 HD12 ILE A 69 67.994 0.697 0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 69 68.618 -0.650 1.274 1.00 0.00 H new ATOM 968 N THR A 70 71.031 -2.199 -3.787 1.00 0.00 N ATOM 969 CA THR A 70 70.717 -2.893 -5.073 1.00 0.00 C ATOM 970 C THR A 70 70.965 -4.399 -4.947 1.00 0.00 C ATOM 971 O THR A 70 72.080 -4.865 -5.058 1.00 0.00 O ATOM 972 CB THR A 70 71.682 -2.286 -6.088 1.00 0.00 C ATOM 973 OG1 THR A 70 71.383 -0.905 -6.259 1.00 0.00 O ATOM 974 CG2 THR A 70 71.539 -3.024 -7.421 1.00 0.00 C ATOM 0 H THR A 70 71.613 -2.729 -3.138 1.00 0.00 H new ATOM 0 HA THR A 70 69.673 -2.767 -5.362 1.00 0.00 H new ATOM 0 HB THR A 70 72.707 -2.385 -5.731 1.00 0.00 H new ATOM 0 HG1 THR A 70 70.486 -0.719 -5.912 1.00 0.00 H new ATOM 0 HG21 THR A 70 72.226 -2.595 -8.150 1.00 0.00 H new ATOM 0 HG22 THR A 70 71.773 -4.079 -7.280 1.00 0.00 H new ATOM 0 HG23 THR A 70 70.516 -2.925 -7.784 1.00 0.00 H new ATOM 982 N GLY A 71 69.936 -5.166 -4.722 1.00 0.00 N ATOM 983 CA GLY A 71 70.129 -6.636 -4.591 1.00 0.00 C ATOM 984 C GLY A 71 70.280 -6.976 -3.113 1.00 0.00 C ATOM 985 O GLY A 71 71.094 -7.793 -2.726 1.00 0.00 O ATOM 0 H GLY A 71 68.974 -4.841 -4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 71 69.279 -7.169 -5.017 1.00 0.00 H new ATOM 0 HA3 GLY A 71 71.013 -6.952 -5.144 1.00 0.00 H new ATOM 989 N GLY A 72 69.507 -6.338 -2.282 1.00 0.00 N ATOM 990 CA GLY A 72 69.602 -6.598 -0.822 1.00 0.00 C ATOM 991 C GLY A 72 70.974 -6.138 -0.331 1.00 0.00 C ATOM 992 O GLY A 72 71.483 -6.614 0.665 1.00 0.00 O ATOM 0 H GLY A 72 68.810 -5.644 -2.553 1.00 0.00 H new ATOM 0 HA2 GLY A 72 68.813 -6.066 -0.291 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.464 -7.660 -0.617 1.00 0.00 H new ATOM 996 N VAL A 73 71.583 -5.224 -1.038 1.00 0.00 N ATOM 997 CA VAL A 73 72.936 -4.740 -0.633 1.00 0.00 C ATOM 998 C VAL A 73 72.974 -3.210 -0.575 1.00 0.00 C ATOM 999 O VAL A 73 72.597 -2.550 -1.520 1.00 0.00 O ATOM 1000 CB VAL A 73 73.856 -5.234 -1.743 1.00 0.00 C ATOM 1001 CG1 VAL A 73 73.612 -6.724 -1.985 1.00 0.00 C ATOM 1002 CG2 VAL A 73 73.549 -4.452 -3.023 1.00 0.00 C ATOM 0 H VAL A 73 71.202 -4.791 -1.879 1.00 0.00 H new ATOM 0 HA VAL A 73 73.221 -5.100 0.355 1.00 0.00 H new ATOM 0 HB VAL A 73 74.897 -5.083 -1.456 1.00 0.00 H new ATOM 0 HG11 VAL A 73 74.270 -7.076 -2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 73 73.817 -7.280 -1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 73 72.574 -6.880 -2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 73 74.201 -4.797 -3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 73 72.509 -4.613 -3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 73 73.718 -3.389 -2.849 1.00 0.00 H new ATOM 1012 N PRO A 74 73.451 -2.697 0.530 1.00 0.00 N ATOM 1013 CA PRO A 74 73.561 -1.232 0.703 1.00 0.00 C ATOM 1014 C PRO A 74 74.856 -0.719 0.065 1.00 0.00 C ATOM 1015 O PRO A 74 75.923 -1.259 0.286 1.00 0.00 O ATOM 1016 CB PRO A 74 73.609 -1.056 2.216 1.00 0.00 C ATOM 1017 CG PRO A 74 74.133 -2.354 2.757 1.00 0.00 C ATOM 1018 CD PRO A 74 73.921 -3.424 1.709 1.00 0.00 C ATOM 0 HA PRO A 74 72.744 -0.682 0.235 1.00 0.00 H new ATOM 0 HB2 PRO A 74 74.258 -0.225 2.494 1.00 0.00 H new ATOM 0 HB3 PRO A 74 72.620 -0.835 2.617 1.00 0.00 H new ATOM 0 HG2 PRO A 74 75.192 -2.265 3.000 1.00 0.00 H new ATOM 0 HG3 PRO A 74 73.616 -2.618 3.679 1.00 0.00 H new ATOM 0 HD2 PRO A 74 74.845 -3.963 1.500 1.00 0.00 H new ATOM 0 HD3 PRO A 74 73.189 -4.162 2.038 1.00 0.00 H new ATOM 1026 N ALA A 75 74.779 0.322 -0.718 1.00 0.00 N ATOM 1027 CA ALA A 75 76.014 0.863 -1.353 1.00 0.00 C ATOM 1028 C ALA A 75 76.796 1.709 -0.344 1.00 0.00 C ATOM 1029 O ALA A 75 76.221 2.293 0.553 1.00 0.00 O ATOM 1030 CB ALA A 75 75.525 1.727 -2.515 1.00 0.00 C ATOM 0 H ALA A 75 73.918 0.820 -0.945 1.00 0.00 H new ATOM 0 HA ALA A 75 76.683 0.072 -1.693 1.00 0.00 H new ATOM 0 HB1 ALA A 75 76.381 2.160 -3.032 1.00 0.00 H new ATOM 0 HB2 ALA A 75 74.955 1.112 -3.211 1.00 0.00 H new ATOM 0 HB3 ALA A 75 74.890 2.526 -2.132 1.00 0.00 H new ATOM 1036 N PRO A 76 78.088 1.739 -0.527 1.00 0.00 N ATOM 1037 CA PRO A 76 78.976 2.516 0.378 1.00 0.00 C ATOM 1038 C PRO A 76 78.782 4.019 0.166 1.00 0.00 C ATOM 1039 O PRO A 76 79.710 4.736 -0.153 1.00 0.00 O ATOM 1040 CB PRO A 76 80.378 2.087 -0.047 1.00 0.00 C ATOM 1041 CG PRO A 76 80.225 1.635 -1.464 1.00 0.00 C ATOM 1042 CD PRO A 76 78.840 1.061 -1.587 1.00 0.00 C ATOM 0 HA PRO A 76 78.776 2.332 1.434 1.00 0.00 H new ATOM 0 HB2 PRO A 76 81.085 2.913 0.031 1.00 0.00 H new ATOM 0 HB3 PRO A 76 80.755 1.284 0.586 1.00 0.00 H new ATOM 0 HG2 PRO A 76 80.361 2.469 -2.153 1.00 0.00 H new ATOM 0 HG3 PRO A 76 80.978 0.888 -1.715 1.00 0.00 H new ATOM 0 HD2 PRO A 76 78.411 1.256 -2.570 1.00 0.00 H new ATOM 0 HD3 PRO A 76 78.841 -0.020 -1.449 1.00 0.00 H new ATOM 1050 N SER A 77 77.585 4.504 0.345 1.00 0.00 N ATOM 1051 CA SER A 77 77.340 5.963 0.153 1.00 0.00 C ATOM 1052 C SER A 77 77.567 6.715 1.466 1.00 0.00 C ATOM 1053 O SER A 77 77.371 6.183 2.541 1.00 0.00 O ATOM 1054 CB SER A 77 75.878 6.070 -0.272 1.00 0.00 C ATOM 1055 OG SER A 77 75.324 7.264 0.264 1.00 0.00 O ATOM 0 H SER A 77 76.768 3.957 0.615 1.00 0.00 H new ATOM 0 HA SER A 77 78.013 6.397 -0.586 1.00 0.00 H new ATOM 0 HB2 SER A 77 75.802 6.075 -1.359 1.00 0.00 H new ATOM 0 HB3 SER A 77 75.319 5.204 0.082 1.00 0.00 H new ATOM 0 HG SER A 77 74.385 7.339 -0.007 1.00 0.00 H new ATOM 1061 N ALA A 78 77.973 7.951 1.388 1.00 0.00 N ATOM 1062 CA ALA A 78 78.205 8.738 2.631 1.00 0.00 C ATOM 1063 C ALA A 78 76.875 8.987 3.348 1.00 0.00 C ATOM 1064 O ALA A 78 76.842 9.441 4.474 1.00 0.00 O ATOM 1065 CB ALA A 78 78.814 10.058 2.156 1.00 0.00 C ATOM 0 H ALA A 78 78.154 8.451 0.517 1.00 0.00 H new ATOM 0 HA ALA A 78 78.856 8.221 3.335 1.00 0.00 H new ATOM 0 HB1 ALA A 78 79.015 10.696 3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 78 79.746 9.859 1.626 1.00 0.00 H new ATOM 0 HB3 ALA A 78 78.116 10.561 1.486 1.00 0.00 H new ATOM 1071 N ALA A 79 75.777 8.700 2.701 1.00 0.00 N ATOM 1072 CA ALA A 79 74.452 8.930 3.348 1.00 0.00 C ATOM 1073 C ALA A 79 73.738 7.599 3.629 1.00 0.00 C ATOM 1074 O ALA A 79 72.998 7.477 4.585 1.00 0.00 O ATOM 1075 CB ALA A 79 73.662 9.762 2.336 1.00 0.00 C ATOM 0 H ALA A 79 75.740 8.318 1.756 1.00 0.00 H new ATOM 0 HA ALA A 79 74.550 9.433 4.310 1.00 0.00 H new ATOM 0 HB1 ALA A 79 72.671 9.976 2.736 1.00 0.00 H new ATOM 0 HB2 ALA A 79 74.187 10.698 2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 79 73.565 9.205 1.404 1.00 0.00 H new ATOM 1081 N CYS A 80 73.949 6.601 2.810 1.00 0.00 N ATOM 1082 CA CYS A 80 73.272 5.290 3.049 1.00 0.00 C ATOM 1083 C CYS A 80 73.357 4.915 4.532 1.00 0.00 C ATOM 1084 O CYS A 80 74.382 5.081 5.164 1.00 0.00 O ATOM 1085 CB CYS A 80 74.036 4.282 2.188 1.00 0.00 C ATOM 1086 SG CYS A 80 73.520 2.605 2.627 1.00 0.00 S ATOM 0 H CYS A 80 74.556 6.636 1.991 1.00 0.00 H new ATOM 0 HA CYS A 80 72.213 5.318 2.791 1.00 0.00 H new ATOM 0 HB2 CYS A 80 73.843 4.469 1.132 1.00 0.00 H new ATOM 0 HB3 CYS A 80 75.109 4.396 2.341 1.00 0.00 H new ATOM 1091 N LYS A 81 72.284 4.425 5.102 1.00 0.00 N ATOM 1092 CA LYS A 81 72.316 4.065 6.550 1.00 0.00 C ATOM 1093 C LYS A 81 72.253 2.545 6.753 1.00 0.00 C ATOM 1094 O LYS A 81 71.910 1.794 5.863 1.00 0.00 O ATOM 1095 CB LYS A 81 71.084 4.745 7.157 1.00 0.00 C ATOM 1096 CG LYS A 81 69.830 3.903 6.893 1.00 0.00 C ATOM 1097 CD LYS A 81 69.674 2.848 7.992 1.00 0.00 C ATOM 1098 CE LYS A 81 69.347 1.494 7.355 1.00 0.00 C ATOM 1099 NZ LYS A 81 68.656 0.709 8.418 1.00 0.00 N ATOM 0 H LYS A 81 71.395 4.260 4.630 1.00 0.00 H new ATOM 0 HA LYS A 81 73.242 4.392 7.022 1.00 0.00 H new ATOM 0 HB2 LYS A 81 71.224 4.876 8.230 1.00 0.00 H new ATOM 0 HB3 LYS A 81 70.960 5.739 6.728 1.00 0.00 H new ATOM 0 HG2 LYS A 81 68.949 4.545 6.864 1.00 0.00 H new ATOM 0 HG3 LYS A 81 69.904 3.419 5.919 1.00 0.00 H new ATOM 0 HD2 LYS A 81 70.592 2.776 8.575 1.00 0.00 H new ATOM 0 HD3 LYS A 81 68.881 3.139 8.681 1.00 0.00 H new ATOM 0 HE2 LYS A 81 68.709 1.616 6.480 1.00 0.00 H new ATOM 0 HE3 LYS A 81 70.253 0.989 7.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 69.161 -0.187 8.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 68.646 1.256 9.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 67.679 0.510 8.123 1.00 0.00 H new ATOM 1113 N ILE A 82 72.578 2.105 7.938 1.00 0.00 N ATOM 1114 CA ILE A 82 72.543 0.647 8.255 1.00 0.00 C ATOM 1115 C ILE A 82 72.515 0.472 9.776 1.00 0.00 C ATOM 1116 O ILE A 82 73.502 0.128 10.396 1.00 0.00 O ATOM 1117 CB ILE A 82 73.827 0.069 7.642 1.00 0.00 C ATOM 1118 CG1 ILE A 82 73.579 -0.249 6.165 1.00 0.00 C ATOM 1119 CG2 ILE A 82 74.224 -1.223 8.367 1.00 0.00 C ATOM 1120 CD1 ILE A 82 74.290 0.782 5.286 1.00 0.00 C ATOM 0 H ILE A 82 72.871 2.702 8.712 1.00 0.00 H new ATOM 0 HA ILE A 82 71.665 0.139 7.856 1.00 0.00 H new ATOM 0 HB ILE A 82 74.629 0.800 7.743 1.00 0.00 H new ATOM 0 HG12 ILE A 82 73.942 -1.250 5.933 1.00 0.00 H new ATOM 0 HG13 ILE A 82 72.509 -0.242 5.957 1.00 0.00 H new ATOM 0 HG21 ILE A 82 75.136 -1.624 7.924 1.00 0.00 H new ATOM 0 HG22 ILE A 82 74.397 -1.010 9.422 1.00 0.00 H new ATOM 0 HG23 ILE A 82 73.422 -1.955 8.271 1.00 0.00 H new ATOM 0 HD11 ILE A 82 74.110 0.551 4.236 1.00 0.00 H new ATOM 0 HD12 ILE A 82 73.906 1.777 5.509 1.00 0.00 H new ATOM 0 HD13 ILE A 82 75.361 0.753 5.485 1.00 0.00 H new ATOM 1132 N SER A 83 71.387 0.723 10.386 1.00 0.00 N ATOM 1133 CA SER A 83 71.300 0.586 11.868 1.00 0.00 C ATOM 1134 C SER A 83 70.393 -0.587 12.247 1.00 0.00 C ATOM 1135 O SER A 83 70.850 -1.693 12.460 1.00 0.00 O ATOM 1136 CB SER A 83 70.701 1.903 12.357 1.00 0.00 C ATOM 1137 OG SER A 83 71.751 2.820 12.642 1.00 0.00 O ATOM 0 H SER A 83 70.526 1.016 9.924 1.00 0.00 H new ATOM 0 HA SER A 83 72.274 0.389 12.316 1.00 0.00 H new ATOM 0 HB2 SER A 83 70.037 2.317 11.599 1.00 0.00 H new ATOM 0 HB3 SER A 83 70.099 1.733 13.250 1.00 0.00 H new ATOM 0 HG SER A 83 71.370 3.667 12.954 1.00 0.00 H new ATOM 1143 N GLY A 84 69.113 -0.354 12.341 1.00 0.00 N ATOM 1144 CA GLY A 84 68.183 -1.457 12.716 1.00 0.00 C ATOM 1145 C GLY A 84 67.418 -1.933 11.482 1.00 0.00 C ATOM 1146 O GLY A 84 66.216 -1.784 11.394 1.00 0.00 O ATOM 0 H GLY A 84 68.671 0.550 12.175 1.00 0.00 H new ATOM 0 HA2 GLY A 84 68.743 -2.285 13.149 1.00 0.00 H new ATOM 0 HA3 GLY A 84 67.484 -1.112 13.478 1.00 0.00 H new ATOM 1150 N CYS A 85 68.098 -2.510 10.531 1.00 0.00 N ATOM 1151 CA CYS A 85 67.390 -3.001 9.312 1.00 0.00 C ATOM 1152 C CYS A 85 68.271 -4.003 8.553 1.00 0.00 C ATOM 1153 O CYS A 85 69.339 -4.370 9.001 1.00 0.00 O ATOM 1154 CB CYS A 85 67.130 -1.743 8.474 1.00 0.00 C ATOM 1155 SG CYS A 85 65.728 -1.998 7.344 1.00 0.00 S ATOM 0 H CYS A 85 69.106 -2.663 10.543 1.00 0.00 H new ATOM 0 HA CYS A 85 66.464 -3.524 9.548 1.00 0.00 H new ATOM 0 HB2 CYS A 85 66.924 -0.899 9.132 1.00 0.00 H new ATOM 0 HB3 CYS A 85 68.023 -1.491 7.902 1.00 0.00 H new ATOM 1160 N THR A 86 67.823 -4.454 7.412 1.00 0.00 N ATOM 1161 CA THR A 86 68.624 -5.440 6.627 1.00 0.00 C ATOM 1162 C THR A 86 67.886 -5.812 5.342 1.00 0.00 C ATOM 1163 O THR A 86 66.687 -5.656 5.237 1.00 0.00 O ATOM 1164 CB THR A 86 68.752 -6.664 7.535 1.00 0.00 C ATOM 1165 OG1 THR A 86 69.370 -7.723 6.818 1.00 0.00 O ATOM 1166 CG2 THR A 86 67.362 -7.105 8.001 1.00 0.00 C ATOM 0 H THR A 86 66.936 -4.182 6.988 1.00 0.00 H new ATOM 0 HA THR A 86 69.596 -5.041 6.338 1.00 0.00 H new ATOM 0 HB THR A 86 69.360 -6.409 8.403 1.00 0.00 H new ATOM 0 HG1 THR A 86 69.454 -8.507 7.400 1.00 0.00 H new ATOM 0 HG21 THR A 86 67.455 -7.977 8.648 1.00 0.00 H new ATOM 0 HG22 THR A 86 66.889 -6.293 8.553 1.00 0.00 H new ATOM 0 HG23 THR A 86 66.751 -7.359 7.135 1.00 0.00 H new ATOM 1174 N PHE A 87 68.592 -6.308 4.364 1.00 0.00 N ATOM 1175 CA PHE A 87 67.920 -6.694 3.086 1.00 0.00 C ATOM 1176 C PHE A 87 68.193 -8.166 2.769 1.00 0.00 C ATOM 1177 O PHE A 87 69.188 -8.728 3.177 1.00 0.00 O ATOM 1178 CB PHE A 87 68.532 -5.814 1.985 1.00 0.00 C ATOM 1179 CG PHE A 87 68.965 -4.471 2.527 1.00 0.00 C ATOM 1180 CD1 PHE A 87 68.164 -3.783 3.446 1.00 0.00 C ATOM 1181 CD2 PHE A 87 70.174 -3.914 2.098 1.00 0.00 C ATOM 1182 CE1 PHE A 87 68.576 -2.538 3.937 1.00 0.00 C ATOM 1183 CE2 PHE A 87 70.585 -2.672 2.588 1.00 0.00 C ATOM 1184 CZ PHE A 87 69.788 -1.982 3.508 1.00 0.00 C ATOM 0 H PHE A 87 69.600 -6.463 4.391 1.00 0.00 H new ATOM 0 HA PHE A 87 66.841 -6.556 3.158 1.00 0.00 H new ATOM 0 HB2 PHE A 87 69.389 -6.324 1.545 1.00 0.00 H new ATOM 0 HB3 PHE A 87 67.804 -5.668 1.187 1.00 0.00 H new ATOM 0 HD1 PHE A 87 67.229 -4.212 3.776 1.00 0.00 H new ATOM 0 HD2 PHE A 87 70.790 -4.444 1.387 1.00 0.00 H new ATOM 0 HE1 PHE A 87 67.959 -2.006 4.647 1.00 0.00 H new ATOM 0 HE2 PHE A 87 71.519 -2.244 2.256 1.00 0.00 H new ATOM 0 HZ PHE A 87 70.107 -1.022 3.887 1.00 0.00 H new ATOM 1194 N SER A 88 67.317 -8.788 2.028 1.00 0.00 N ATOM 1195 CA SER A 88 67.523 -10.218 1.666 1.00 0.00 C ATOM 1196 C SER A 88 67.228 -10.418 0.180 1.00 0.00 C ATOM 1197 O SER A 88 66.755 -11.459 -0.235 1.00 0.00 O ATOM 1198 CB SER A 88 66.524 -10.994 2.525 1.00 0.00 C ATOM 1199 OG SER A 88 66.510 -10.446 3.836 1.00 0.00 O ATOM 0 H SER A 88 66.466 -8.366 1.657 1.00 0.00 H new ATOM 0 HA SER A 88 68.546 -10.552 1.840 1.00 0.00 H new ATOM 0 HB2 SER A 88 65.528 -10.940 2.085 1.00 0.00 H new ATOM 0 HB3 SER A 88 66.799 -12.048 2.561 1.00 0.00 H new ATOM 0 HG SER A 88 65.870 -10.939 4.390 1.00 0.00 H new ATOM 1205 N ALA A 89 67.504 -9.421 -0.619 1.00 0.00 N ATOM 1206 CA ALA A 89 67.243 -9.524 -2.086 1.00 0.00 C ATOM 1207 C ALA A 89 65.942 -10.291 -2.339 1.00 0.00 C ATOM 1208 O ALA A 89 65.952 -11.423 -2.782 1.00 0.00 O ATOM 1209 CB ALA A 89 68.441 -10.288 -2.653 1.00 0.00 C ATOM 0 H ALA A 89 67.902 -8.532 -0.316 1.00 0.00 H new ATOM 0 HA ALA A 89 67.129 -8.546 -2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 89 68.322 -10.404 -3.730 1.00 0.00 H new ATOM 0 HB2 ALA A 89 69.357 -9.734 -2.447 1.00 0.00 H new ATOM 0 HB3 ALA A 89 68.499 -11.271 -2.186 1.00 0.00 H new ATOM 1215 N ASN A 90 64.822 -9.687 -2.052 1.00 0.00 N ATOM 1216 CA ASN A 90 63.522 -10.385 -2.267 1.00 0.00 C ATOM 1217 C ASN A 90 63.272 -10.596 -3.768 1.00 0.00 C ATOM 1218 O ASN A 90 64.228 -10.530 -4.524 1.00 0.00 O ATOM 1219 CB ASN A 90 62.469 -9.458 -1.626 1.00 0.00 C ATOM 1220 CG ASN A 90 61.746 -8.628 -2.692 1.00 0.00 C ATOM 1221 OD1 ASN A 90 62.367 -7.909 -3.451 1.00 0.00 O ATOM 1222 ND2 ASN A 90 60.452 -8.702 -2.772 1.00 0.00 N ATOM 1223 OXT ASN A 90 62.129 -10.818 -4.132 1.00 0.00 O ATOM 0 H ASN A 90 64.750 -8.741 -1.678 1.00 0.00 H new ATOM 0 HA ASN A 90 63.494 -11.379 -1.822 1.00 0.00 H new ATOM 0 HB2 ASN A 90 61.745 -10.054 -1.071 1.00 0.00 H new ATOM 0 HB3 ASN A 90 62.952 -8.794 -0.909 1.00 0.00 H new ATOM 0 HD21 ASN A 90 59.952 -8.156 -3.474 1.00 0.00 H new ATOM 0 HD22 ASN A 90 59.935 -9.306 -2.133 1.00 0.00 H new