USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 THR OG1 : rot 94:sc= 0.0189 USER MOD Set 1.2: A 51 THR OG1 : rot -170:sc= 0.0256 USER MOD Set 2.1: A 22 CYS SG : rot 46:sc= 0.847 USER MOD Set 2.2: A 71 TYR OH : rot -162:sc= 1.02 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 11 GLN : amide:sc= 0.691 K(o=0.69,f=-6.1!) USER MOD Single : A 12 MET CE :methyl -168:sc= -0.367 (180deg=-0.453) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 166:sc= -0.0178 (180deg=-0.826) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 177:sc= 0.499 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 58 SER OG : rot 180:sc= 0.386 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.886 K(o=0.89,f=-0.59) USER MOD Single : A 72 THR OG1 : rot 12:sc= 0.918 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 7 -4.629 -6.157 -15.138 1.00 0.00 N ATOM 14 CA LEU A 7 -4.534 -4.841 -14.492 1.00 0.00 C ATOM 15 C LEU A 7 -3.149 -4.623 -13.860 1.00 0.00 C ATOM 16 O LEU A 7 -2.428 -5.577 -13.551 1.00 0.00 O ATOM 17 CB LEU A 7 -5.702 -4.617 -13.497 1.00 0.00 C ATOM 18 CG LEU A 7 -5.627 -5.382 -12.161 1.00 0.00 C ATOM 19 CD1 LEU A 7 -6.858 -5.072 -11.303 1.00 0.00 C ATOM 20 CD2 LEU A 7 -5.516 -6.909 -12.298 1.00 0.00 C ATOM 0 HA LEU A 7 -4.638 -4.076 -15.261 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.762 -3.551 -13.276 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.632 -4.892 -13.995 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.706 -5.034 -11.693 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.793 -5.619 -10.362 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.899 -4.002 -11.099 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.759 -5.375 -11.837 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.469 -7.361 -11.307 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.387 -7.291 -12.830 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.613 -7.160 -12.854 1.00 0.00 H new ATOM 31 N LYS A 8 -2.761 -3.362 -13.679 1.00 0.00 N ATOM 32 CA LYS A 8 -1.373 -2.972 -13.399 1.00 0.00 C ATOM 33 C LYS A 8 -0.955 -3.272 -11.950 1.00 0.00 C ATOM 34 O LYS A 8 -1.633 -2.854 -11.005 1.00 0.00 O ATOM 35 CB LYS A 8 -1.167 -1.475 -13.718 1.00 0.00 C ATOM 36 CG LYS A 8 -1.413 -1.142 -15.202 1.00 0.00 C ATOM 37 CD LYS A 8 -1.060 0.303 -15.588 1.00 0.00 C ATOM 38 CE LYS A 8 -1.748 1.352 -14.702 1.00 0.00 C ATOM 39 NZ LYS A 8 -1.625 2.716 -15.266 1.00 0.00 N ATOM 0 H LYS A 8 -3.405 -2.572 -13.722 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.734 -3.574 -14.045 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.840 -0.881 -13.100 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.151 -1.187 -13.449 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.828 -1.825 -15.818 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.462 -1.323 -15.435 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.020 0.435 -15.525 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.342 0.474 -16.627 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.802 1.099 -14.591 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.308 1.330 -13.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.102 3.395 -14.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.619 2.968 -15.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.067 2.744 -16.207 1.00 0.00 H new ATOM 49 N THR A 9 0.206 -3.919 -11.774 1.00 0.00 N ATOM 50 CA THR A 9 0.945 -3.931 -10.500 1.00 0.00 C ATOM 51 C THR A 9 1.975 -2.803 -10.458 1.00 0.00 C ATOM 52 O THR A 9 2.291 -2.193 -11.485 1.00 0.00 O ATOM 53 CB THR A 9 1.526 -5.316 -10.181 1.00 0.00 C ATOM 54 OG1 THR A 9 1.821 -5.320 -8.804 1.00 0.00 O ATOM 55 CG2 THR A 9 2.786 -5.694 -10.958 1.00 0.00 C ATOM 0 H THR A 9 0.662 -4.452 -12.514 1.00 0.00 H new ATOM 0 HA THR A 9 0.240 -3.732 -9.693 1.00 0.00 H new ATOM 0 HB THR A 9 0.782 -6.055 -10.478 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.063 -5.695 -8.308 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.114 -6.689 -10.658 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.570 -5.690 -12.026 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.575 -4.973 -10.745 1.00 0.00 H new ATOM 63 N GLN A 10 2.476 -2.520 -9.260 1.00 0.00 N ATOM 64 CA GLN A 10 3.482 -1.506 -8.978 1.00 0.00 C ATOM 65 C GLN A 10 4.066 -1.712 -7.579 1.00 0.00 C ATOM 66 O GLN A 10 3.355 -2.100 -6.643 1.00 0.00 O ATOM 67 CB GLN A 10 2.939 -0.066 -9.147 1.00 0.00 C ATOM 68 CG GLN A 10 1.625 0.287 -8.419 1.00 0.00 C ATOM 69 CD GLN A 10 0.398 0.186 -9.329 1.00 0.00 C ATOM 70 OE1 GLN A 10 0.121 1.062 -10.139 1.00 0.00 O ATOM 71 NE2 GLN A 10 -0.380 -0.868 -9.237 1.00 0.00 N ATOM 0 H GLN A 10 2.176 -3.016 -8.421 1.00 0.00 H new ATOM 0 HA GLN A 10 4.277 -1.625 -9.714 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.709 0.626 -8.807 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.794 0.117 -10.212 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.496 -0.381 -7.567 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.695 1.300 -8.022 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.162 -1.606 -8.567 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.202 -0.949 -9.835 1.00 0.00 H new ATOM 78 N GLN A 11 5.359 -1.410 -7.452 1.00 0.00 N ATOM 79 CA GLN A 11 6.071 -1.272 -6.190 1.00 0.00 C ATOM 80 C GLN A 11 5.840 0.133 -5.615 1.00 0.00 C ATOM 81 O GLN A 11 5.873 1.138 -6.337 1.00 0.00 O ATOM 82 CB GLN A 11 7.565 -1.546 -6.420 1.00 0.00 C ATOM 83 CG GLN A 11 8.307 -1.870 -5.114 1.00 0.00 C ATOM 84 CD GLN A 11 9.797 -2.134 -5.324 1.00 0.00 C ATOM 85 OE1 GLN A 11 10.655 -1.549 -4.670 1.00 0.00 O ATOM 86 NE2 GLN A 11 10.168 -3.015 -6.225 1.00 0.00 N ATOM 0 H GLN A 11 5.959 -1.249 -8.261 1.00 0.00 H new ATOM 0 HA GLN A 11 5.696 -1.995 -5.466 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.677 -2.379 -7.115 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.024 -0.676 -6.889 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.185 -1.040 -4.418 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.850 -2.745 -4.650 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.465 -3.508 -6.775 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.159 -3.206 -6.374 1.00 0.00 H new ATOM 93 N MET A 12 5.630 0.196 -4.302 1.00 0.00 N ATOM 94 CA MET A 12 5.207 1.372 -3.549 1.00 0.00 C ATOM 95 C MET A 12 6.139 1.571 -2.351 1.00 0.00 C ATOM 96 O MET A 12 6.616 0.608 -1.746 1.00 0.00 O ATOM 97 CB MET A 12 3.745 1.143 -3.129 1.00 0.00 C ATOM 98 CG MET A 12 3.131 2.244 -2.256 1.00 0.00 C ATOM 99 SD MET A 12 1.389 1.969 -1.839 1.00 0.00 S ATOM 100 CE MET A 12 0.625 2.369 -3.433 1.00 0.00 C ATOM 0 H MET A 12 5.758 -0.619 -3.702 1.00 0.00 H new ATOM 0 HA MET A 12 5.264 2.283 -4.145 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.139 1.036 -4.029 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.684 0.198 -2.589 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.706 2.325 -1.334 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.224 3.198 -2.774 1.00 0.00 H new ATOM 0 HE1 MET A 12 -0.454 2.461 -3.307 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.028 3.311 -3.804 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.840 1.576 -4.149 1.00 0.00 H new ATOM 108 N GLN A 13 6.396 2.825 -2.012 1.00 0.00 N ATOM 109 CA GLN A 13 7.186 3.240 -0.860 1.00 0.00 C ATOM 110 C GLN A 13 6.257 3.815 0.225 1.00 0.00 C ATOM 111 O GLN A 13 5.082 4.087 -0.022 1.00 0.00 O ATOM 112 CB GLN A 13 8.213 4.284 -1.334 1.00 0.00 C ATOM 113 CG GLN A 13 9.366 3.685 -2.159 1.00 0.00 C ATOM 114 CD GLN A 13 10.013 4.752 -3.041 1.00 0.00 C ATOM 115 OE1 GLN A 13 10.734 5.633 -2.584 1.00 0.00 O ATOM 116 NE2 GLN A 13 9.722 4.764 -4.322 1.00 0.00 N ATOM 0 H GLN A 13 6.046 3.615 -2.554 1.00 0.00 H new ATOM 0 HA GLN A 13 7.715 2.392 -0.425 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.702 5.038 -1.933 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.627 4.795 -0.465 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.113 3.257 -1.491 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.991 2.872 -2.780 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.124 4.038 -4.716 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.094 5.499 -4.923 1.00 0.00 H new ATOM 123 N VAL A 14 6.782 4.020 1.432 1.00 0.00 N ATOM 124 CA VAL A 14 6.040 4.569 2.581 1.00 0.00 C ATOM 125 C VAL A 14 6.969 5.267 3.581 1.00 0.00 C ATOM 126 O VAL A 14 8.110 4.854 3.778 1.00 0.00 O ATOM 127 CB VAL A 14 5.140 3.491 3.241 1.00 0.00 C ATOM 128 CG1 VAL A 14 5.920 2.263 3.733 1.00 0.00 C ATOM 129 CG2 VAL A 14 4.282 4.049 4.387 1.00 0.00 C ATOM 0 H VAL A 14 7.755 3.807 1.650 1.00 0.00 H new ATOM 0 HA VAL A 14 5.371 5.343 2.204 1.00 0.00 H new ATOM 0 HB VAL A 14 4.477 3.168 2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.230 1.550 4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.428 1.794 2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.656 2.573 4.475 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.674 3.249 4.809 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.931 4.459 5.161 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.632 4.836 4.005 1.00 0.00 H new ATOM 139 N GLY A 15 6.456 6.336 4.206 1.00 0.00 N ATOM 140 CA GLY A 15 7.191 7.286 5.051 1.00 0.00 C ATOM 141 C GLY A 15 7.521 6.794 6.464 1.00 0.00 C ATOM 142 O GLY A 15 7.129 7.424 7.448 1.00 0.00 O ATOM 0 H GLY A 15 5.467 6.573 4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.123 7.546 4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.606 8.202 5.132 1.00 0.00 H new ATOM 146 N GLY A 16 8.260 5.686 6.553 1.00 0.00 N ATOM 147 CA GLY A 16 8.942 5.222 7.772 1.00 0.00 C ATOM 148 C GLY A 16 8.364 3.960 8.419 1.00 0.00 C ATOM 149 O GLY A 16 8.479 3.802 9.634 1.00 0.00 O ATOM 0 H GLY A 16 8.407 5.065 5.757 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.989 5.038 7.532 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.920 6.027 8.507 1.00 0.00 H new ATOM 153 N MET A 17 7.716 3.067 7.660 1.00 0.00 N ATOM 154 CA MET A 17 6.943 1.951 8.228 1.00 0.00 C ATOM 155 C MET A 17 7.767 0.911 9.018 1.00 0.00 C ATOM 156 O MET A 17 7.165 0.150 9.775 1.00 0.00 O ATOM 157 CB MET A 17 6.090 1.325 7.112 1.00 0.00 C ATOM 158 CG MET A 17 5.020 0.343 7.614 1.00 0.00 C ATOM 159 SD MET A 17 3.613 0.148 6.496 1.00 0.00 S ATOM 160 CE MET A 17 2.690 1.640 6.949 1.00 0.00 C ATOM 0 H MET A 17 7.711 3.096 6.640 1.00 0.00 H new ATOM 0 HA MET A 17 6.294 2.365 9.000 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.601 2.123 6.553 1.00 0.00 H new ATOM 0 HB3 MET A 17 6.748 0.804 6.416 1.00 0.00 H new ATOM 0 HG2 MET A 17 5.482 -0.631 7.772 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.656 0.684 8.583 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.919 1.832 6.202 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.223 1.497 7.924 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.371 2.490 6.994 1.00 0.00 H new ATOM 219 N CYS A 22 4.445 -2.499 11.822 1.00 0.00 N ATOM 220 CA CYS A 22 3.296 -1.832 11.200 1.00 0.00 C ATOM 221 C CYS A 22 2.889 -2.293 9.792 1.00 0.00 C ATOM 222 O CYS A 22 1.702 -2.190 9.480 1.00 0.00 O ATOM 223 CB CYS A 22 3.565 -0.322 11.233 1.00 0.00 C ATOM 224 SG CYS A 22 3.624 0.234 12.961 1.00 0.00 S ATOM 0 HA CYS A 22 2.426 -2.120 11.790 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.507 -0.097 10.733 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.783 0.211 10.693 1.00 0.00 H new ATOM 0 HG CYS A 22 4.363 -0.580 13.654 1.00 0.00 H new ATOM 229 N ALA A 23 3.795 -2.850 8.980 1.00 0.00 N ATOM 230 CA ALA A 23 3.465 -3.538 7.733 1.00 0.00 C ATOM 231 C ALA A 23 2.304 -4.535 7.914 1.00 0.00 C ATOM 232 O ALA A 23 1.413 -4.606 7.071 1.00 0.00 O ATOM 233 CB ALA A 23 4.737 -4.246 7.267 1.00 0.00 C ATOM 0 H ALA A 23 4.796 -2.833 9.178 1.00 0.00 H new ATOM 0 HA ALA A 23 3.124 -2.821 6.987 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.538 -4.776 6.335 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.525 -3.510 7.105 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.057 -4.958 8.028 1.00 0.00 H new ATOM 239 N SER A 24 2.245 -5.241 9.046 1.00 0.00 N ATOM 240 CA SER A 24 1.183 -6.216 9.328 1.00 0.00 C ATOM 241 C SER A 24 -0.196 -5.564 9.504 1.00 0.00 C ATOM 242 O SER A 24 -1.185 -6.111 9.033 1.00 0.00 O ATOM 243 CB SER A 24 1.537 -7.035 10.574 1.00 0.00 C ATOM 244 OG SER A 24 2.773 -7.712 10.402 1.00 0.00 O ATOM 0 H SER A 24 2.932 -5.154 9.795 1.00 0.00 H new ATOM 0 HA SER A 24 1.117 -6.870 8.459 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.596 -6.378 11.441 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.747 -7.758 10.775 1.00 0.00 H new ATOM 0 HG SER A 24 2.979 -8.227 11.210 1.00 0.00 H new ATOM 249 N SER A 25 -0.292 -4.367 10.089 1.00 0.00 N ATOM 250 CA SER A 25 -1.571 -3.643 10.232 1.00 0.00 C ATOM 251 C SER A 25 -2.046 -3.002 8.925 1.00 0.00 C ATOM 252 O SER A 25 -3.196 -2.572 8.829 1.00 0.00 O ATOM 253 CB SER A 25 -1.495 -2.572 11.330 1.00 0.00 C ATOM 254 OG SER A 25 -1.194 -3.151 12.589 1.00 0.00 O ATOM 0 H SER A 25 0.508 -3.868 10.478 1.00 0.00 H new ATOM 0 HA SER A 25 -2.303 -4.399 10.516 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.732 -1.837 11.073 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.444 -2.039 11.389 1.00 0.00 H new ATOM 0 HG SER A 25 -1.150 -2.448 13.270 1.00 0.00 H new ATOM 259 N ILE A 26 -1.190 -2.963 7.903 1.00 0.00 N ATOM 260 CA ILE A 26 -1.605 -2.699 6.525 1.00 0.00 C ATOM 261 C ILE A 26 -2.003 -4.016 5.853 1.00 0.00 C ATOM 262 O ILE A 26 -3.137 -4.131 5.397 1.00 0.00 O ATOM 263 CB ILE A 26 -0.489 -1.943 5.775 1.00 0.00 C ATOM 264 CG1 ILE A 26 -0.017 -0.661 6.492 1.00 0.00 C ATOM 265 CG2 ILE A 26 -0.908 -1.625 4.331 1.00 0.00 C ATOM 266 CD1 ILE A 26 -1.120 0.336 6.860 1.00 0.00 C ATOM 0 H ILE A 26 -0.187 -3.114 8.008 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.482 -2.053 6.505 1.00 0.00 H new ATOM 0 HB ILE A 26 0.365 -2.621 5.761 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.507 -0.948 7.403 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.707 -0.155 5.854 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.102 -1.092 3.827 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.117 -2.554 3.800 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.803 -1.003 4.340 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.679 1.199 7.359 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.632 0.662 5.955 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.835 -0.143 7.529 1.00 0.00 H new ATOM 277 N GLU A 27 -1.119 -5.020 5.836 1.00 0.00 N ATOM 278 CA GLU A 27 -1.315 -6.279 5.109 1.00 0.00 C ATOM 279 C GLU A 27 -2.564 -7.045 5.576 1.00 0.00 C ATOM 280 O GLU A 27 -3.365 -7.476 4.744 1.00 0.00 O ATOM 281 CB GLU A 27 -0.050 -7.150 5.212 1.00 0.00 C ATOM 282 CG GLU A 27 -0.022 -8.223 4.113 1.00 0.00 C ATOM 283 CD GLU A 27 1.350 -8.881 3.972 1.00 0.00 C ATOM 284 OE1 GLU A 27 1.800 -9.562 4.928 1.00 0.00 O ATOM 285 OE2 GLU A 27 1.954 -8.776 2.877 1.00 0.00 O ATOM 0 H GLU A 27 -0.231 -4.979 6.336 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.488 -6.030 4.062 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.836 -6.520 5.131 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.013 -7.628 6.191 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.766 -8.987 4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.304 -7.772 3.162 1.00 0.00 H new ATOM 290 N ARG A 28 -2.779 -7.141 6.897 1.00 0.00 N ATOM 291 CA ARG A 28 -3.918 -7.843 7.509 1.00 0.00 C ATOM 292 C ARG A 28 -5.284 -7.261 7.103 1.00 0.00 C ATOM 293 O ARG A 28 -6.284 -7.979 7.150 1.00 0.00 O ATOM 294 CB ARG A 28 -3.712 -7.850 9.034 1.00 0.00 C ATOM 295 CG ARG A 28 -4.782 -8.624 9.816 1.00 0.00 C ATOM 296 CD ARG A 28 -4.315 -8.878 11.254 1.00 0.00 C ATOM 297 NE ARG A 28 -5.363 -9.541 12.047 1.00 0.00 N ATOM 298 CZ ARG A 28 -5.531 -10.845 12.222 1.00 0.00 C ATOM 299 NH1 ARG A 28 -4.771 -11.748 11.639 1.00 0.00 N ATOM 300 NH2 ARG A 28 -6.505 -11.248 13.006 1.00 0.00 N ATOM 0 H ARG A 28 -2.152 -6.724 7.585 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.943 -8.866 7.135 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.736 -8.281 9.254 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.693 -6.820 9.390 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.715 -8.060 9.824 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.988 -9.573 9.321 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.418 -9.497 11.243 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.044 -7.932 11.723 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.034 -8.930 12.513 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.014 -11.455 11.022 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.939 -12.740 11.805 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.109 -10.564 13.462 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.657 -12.245 13.159 1.00 0.00 H new ATOM 311 N ALA A 29 -5.325 -5.997 6.660 1.00 0.00 N ATOM 312 CA ALA A 29 -6.499 -5.364 6.055 1.00 0.00 C ATOM 313 C ALA A 29 -6.458 -5.418 4.518 1.00 0.00 C ATOM 314 O ALA A 29 -7.479 -5.677 3.885 1.00 0.00 O ATOM 315 CB ALA A 29 -6.560 -3.914 6.551 1.00 0.00 C ATOM 0 H ALA A 29 -4.520 -5.373 6.715 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.395 -5.908 6.353 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.427 -3.417 6.116 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.644 -3.904 7.638 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.653 -3.389 6.253 1.00 0.00 H new ATOM 321 N LEU A 30 -5.288 -5.209 3.902 1.00 0.00 N ATOM 322 CA LEU A 30 -5.074 -5.188 2.448 1.00 0.00 C ATOM 323 C LEU A 30 -5.412 -6.527 1.773 1.00 0.00 C ATOM 324 O LEU A 30 -5.850 -6.524 0.622 1.00 0.00 O ATOM 325 CB LEU A 30 -3.612 -4.758 2.208 1.00 0.00 C ATOM 326 CG LEU A 30 -3.169 -4.554 0.744 1.00 0.00 C ATOM 327 CD1 LEU A 30 -4.002 -3.492 0.014 1.00 0.00 C ATOM 328 CD2 LEU A 30 -1.693 -4.128 0.733 1.00 0.00 C ATOM 0 H LEU A 30 -4.428 -5.043 4.424 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.757 -4.476 1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.441 -3.825 2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.961 -5.508 2.657 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.316 -5.498 0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.646 -3.391 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.049 -3.793 0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.904 -2.536 0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.365 -3.980 -0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.579 -3.197 1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.087 -4.905 1.199 1.00 0.00 H new ATOM 339 N GLU A 31 -5.310 -7.648 2.494 1.00 0.00 N ATOM 340 CA GLU A 31 -5.784 -8.966 2.060 1.00 0.00 C ATOM 341 C GLU A 31 -7.317 -9.064 1.978 1.00 0.00 C ATOM 342 O GLU A 31 -7.829 -10.033 1.411 1.00 0.00 O ATOM 343 CB GLU A 31 -5.246 -10.065 2.994 1.00 0.00 C ATOM 344 CG GLU A 31 -5.689 -9.920 4.463 1.00 0.00 C ATOM 345 CD GLU A 31 -6.125 -11.253 5.061 1.00 0.00 C ATOM 346 OE1 GLU A 31 -5.312 -12.204 5.052 1.00 0.00 O ATOM 347 OE2 GLU A 31 -7.274 -11.380 5.547 1.00 0.00 O ATOM 0 H GLU A 31 -4.884 -7.664 3.421 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.399 -9.110 1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.574 -11.035 2.622 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.157 -10.060 2.953 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.868 -9.510 5.051 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.512 -9.208 4.525 1.00 0.00 H new ATOM 352 N ARG A 32 -8.045 -8.079 2.531 1.00 0.00 N ATOM 353 CA ARG A 32 -9.509 -8.011 2.533 1.00 0.00 C ATOM 354 C ARG A 32 -10.080 -6.845 1.705 1.00 0.00 C ATOM 355 O ARG A 32 -11.119 -7.032 1.072 1.00 0.00 O ATOM 356 CB ARG A 32 -10.064 -7.981 3.972 1.00 0.00 C ATOM 357 CG ARG A 32 -9.551 -9.166 4.806 1.00 0.00 C ATOM 358 CD ARG A 32 -10.517 -9.654 5.892 1.00 0.00 C ATOM 359 NE ARG A 32 -9.953 -10.852 6.535 1.00 0.00 N ATOM 360 CZ ARG A 32 -10.602 -11.852 7.122 1.00 0.00 C ATOM 361 NH1 ARG A 32 -11.909 -11.871 7.282 1.00 0.00 N ATOM 362 NH2 ARG A 32 -9.910 -12.879 7.559 1.00 0.00 N ATOM 0 H ARG A 32 -7.613 -7.285 3.003 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.844 -8.924 2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.776 -7.046 4.453 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.153 -8.002 3.942 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.332 -9.996 4.135 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.611 -8.880 5.278 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.678 -8.870 6.632 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.489 -9.884 5.455 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.936 -10.924 6.529 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.475 -11.091 6.948 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.355 -12.665 7.740 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.897 -12.897 7.444 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.386 -13.659 8.013 1.00 0.00 H new ATOM 373 N LEU A 33 -9.410 -5.679 1.659 1.00 0.00 N ATOM 374 CA LEU A 33 -9.835 -4.478 0.904 1.00 0.00 C ATOM 375 C LEU A 33 -10.335 -4.808 -0.512 1.00 0.00 C ATOM 376 O LEU A 33 -9.707 -5.590 -1.224 1.00 0.00 O ATOM 377 CB LEU A 33 -8.683 -3.450 0.798 1.00 0.00 C ATOM 378 CG LEU A 33 -8.180 -2.797 2.102 1.00 0.00 C ATOM 379 CD1 LEU A 33 -7.078 -1.778 1.785 1.00 0.00 C ATOM 380 CD2 LEU A 33 -9.285 -2.090 2.886 1.00 0.00 C ATOM 0 H LEU A 33 -8.532 -5.539 2.159 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.665 -4.053 1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.836 -3.944 0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.005 -2.654 0.127 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.799 -3.608 2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.728 -1.321 2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.247 -2.282 1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.475 -1.005 1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.865 -1.652 3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.721 -1.303 2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.058 -2.810 3.155 1.00 0.00 H new ATOM 391 N LYS A 34 -11.448 -4.201 -0.926 1.00 0.00 N ATOM 392 CA LYS A 34 -12.061 -4.443 -2.240 1.00 0.00 C ATOM 393 C LYS A 34 -11.263 -3.825 -3.410 1.00 0.00 C ATOM 394 O LYS A 34 -10.441 -2.920 -3.224 1.00 0.00 O ATOM 395 CB LYS A 34 -13.526 -3.973 -2.204 1.00 0.00 C ATOM 396 CG LYS A 34 -14.378 -4.839 -1.257 1.00 0.00 C ATOM 397 CD LYS A 34 -15.879 -4.750 -1.571 1.00 0.00 C ATOM 398 CE LYS A 34 -16.678 -5.632 -0.601 1.00 0.00 C ATOM 399 NZ LYS A 34 -18.088 -5.791 -1.030 1.00 0.00 N ATOM 0 H LYS A 34 -11.956 -3.523 -0.358 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.038 -5.515 -2.437 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.567 -2.933 -1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.946 -4.012 -3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.055 -5.878 -1.331 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.206 -4.524 -0.228 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -16.213 -3.716 -1.493 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.062 -5.067 -2.598 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.207 -6.613 -0.531 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.650 -5.193 0.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.592 -6.393 -0.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.545 -4.858 -1.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.117 -6.234 -1.971 1.00 0.00 H new ATOM 409 N GLY A 35 -11.475 -4.309 -4.637 1.00 0.00 N ATOM 410 CA GLY A 35 -10.920 -3.758 -5.888 1.00 0.00 C ATOM 411 C GLY A 35 -9.473 -4.167 -6.190 1.00 0.00 C ATOM 412 O GLY A 35 -9.167 -4.486 -7.338 1.00 0.00 O ATOM 0 H GLY A 35 -12.061 -5.128 -4.798 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.552 -4.074 -6.718 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.972 -2.670 -5.843 1.00 0.00 H new ATOM 416 N VAL A 36 -8.605 -4.188 -5.175 1.00 0.00 N ATOM 417 CA VAL A 36 -7.214 -4.691 -5.251 1.00 0.00 C ATOM 418 C VAL A 36 -7.191 -6.210 -5.501 1.00 0.00 C ATOM 419 O VAL A 36 -7.920 -6.962 -4.850 1.00 0.00 O ATOM 420 CB VAL A 36 -6.372 -4.285 -4.007 1.00 0.00 C ATOM 421 CG1 VAL A 36 -7.121 -4.497 -2.683 1.00 0.00 C ATOM 422 CG2 VAL A 36 -5.016 -5.010 -3.897 1.00 0.00 C ATOM 0 H VAL A 36 -8.850 -3.847 -4.245 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.738 -4.211 -6.106 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.190 -3.223 -4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.483 -4.196 -1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.030 -3.896 -2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.382 -5.550 -2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.493 -4.670 -3.003 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.182 -6.085 -3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.412 -4.788 -4.777 1.00 0.00 H new ATOM 432 N ALA A 37 -6.356 -6.652 -6.452 1.00 0.00 N ATOM 433 CA ALA A 37 -6.361 -8.023 -6.997 1.00 0.00 C ATOM 434 C ALA A 37 -5.162 -8.909 -6.601 1.00 0.00 C ATOM 435 O ALA A 37 -5.175 -10.105 -6.893 1.00 0.00 O ATOM 436 CB ALA A 37 -6.421 -7.906 -8.523 1.00 0.00 C ATOM 0 H ALA A 37 -5.643 -6.057 -6.874 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.226 -8.526 -6.565 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.426 -8.903 -8.964 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.329 -7.376 -8.812 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.551 -7.356 -8.880 1.00 0.00 H new ATOM 442 N GLU A 38 -4.129 -8.332 -5.982 1.00 0.00 N ATOM 443 CA GLU A 38 -2.860 -8.970 -5.597 1.00 0.00 C ATOM 444 C GLU A 38 -1.991 -7.932 -4.870 1.00 0.00 C ATOM 445 O GLU A 38 -1.917 -6.794 -5.335 1.00 0.00 O ATOM 446 CB GLU A 38 -2.142 -9.567 -6.831 1.00 0.00 C ATOM 447 CG GLU A 38 -0.740 -10.099 -6.530 1.00 0.00 C ATOM 448 CD GLU A 38 -0.115 -10.767 -7.754 1.00 0.00 C ATOM 449 OE1 GLU A 38 0.549 -10.065 -8.557 1.00 0.00 O ATOM 450 OE2 GLU A 38 -0.259 -12.003 -7.901 1.00 0.00 O ATOM 0 H GLU A 38 -4.154 -7.347 -5.719 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.053 -9.804 -4.922 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.749 -10.377 -7.237 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.072 -8.802 -7.605 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.103 -9.279 -6.198 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.791 -10.816 -5.710 1.00 0.00 H new ATOM 455 N ALA A 39 -1.337 -8.298 -3.758 1.00 0.00 N ATOM 456 CA ALA A 39 -0.490 -7.389 -2.967 1.00 0.00 C ATOM 457 C ALA A 39 0.375 -8.113 -1.917 1.00 0.00 C ATOM 458 O ALA A 39 0.005 -9.180 -1.425 1.00 0.00 O ATOM 459 CB ALA A 39 -1.371 -6.335 -2.273 1.00 0.00 C ATOM 0 H ALA A 39 -1.381 -9.243 -3.377 1.00 0.00 H new ATOM 0 HA ALA A 39 0.199 -6.916 -3.667 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.742 -5.663 -1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.913 -5.762 -3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.082 -6.832 -1.614 1.00 0.00 H new ATOM 465 N SER A 40 1.494 -7.513 -1.503 1.00 0.00 N ATOM 466 CA SER A 40 2.386 -8.059 -0.462 1.00 0.00 C ATOM 467 C SER A 40 3.328 -6.985 0.113 1.00 0.00 C ATOM 468 O SER A 40 3.907 -6.209 -0.656 1.00 0.00 O ATOM 469 CB SER A 40 3.228 -9.209 -1.041 1.00 0.00 C ATOM 470 OG SER A 40 3.887 -9.935 -0.017 1.00 0.00 O ATOM 0 H SER A 40 1.815 -6.622 -1.883 1.00 0.00 H new ATOM 0 HA SER A 40 1.753 -8.424 0.347 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.586 -9.881 -1.610 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.965 -8.808 -1.737 1.00 0.00 H new ATOM 0 HG SER A 40 4.412 -10.660 -0.416 1.00 0.00 H new ATOM 475 N VAL A 41 3.524 -6.945 1.438 1.00 0.00 N ATOM 476 CA VAL A 41 4.495 -6.029 2.086 1.00 0.00 C ATOM 477 C VAL A 41 5.938 -6.544 1.942 1.00 0.00 C ATOM 478 O VAL A 41 6.166 -7.722 1.655 1.00 0.00 O ATOM 479 CB VAL A 41 4.154 -5.722 3.569 1.00 0.00 C ATOM 480 CG1 VAL A 41 2.753 -5.101 3.668 1.00 0.00 C ATOM 481 CG2 VAL A 41 4.305 -6.941 4.494 1.00 0.00 C ATOM 0 H VAL A 41 3.020 -7.541 2.095 1.00 0.00 H new ATOM 0 HA VAL A 41 4.415 -5.082 1.552 1.00 0.00 H new ATOM 0 HB VAL A 41 4.887 -4.999 3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.522 -4.889 4.712 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.724 -4.175 3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.017 -5.798 3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.051 -6.656 5.515 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.636 -7.735 4.162 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.335 -7.297 4.462 1.00 0.00 H new ATOM 491 N THR A 42 6.915 -5.649 2.138 1.00 0.00 N ATOM 492 CA THR A 42 8.355 -5.930 2.024 1.00 0.00 C ATOM 493 C THR A 42 9.074 -5.265 3.195 1.00 0.00 C ATOM 494 O THR A 42 9.688 -4.210 3.048 1.00 0.00 O ATOM 495 CB THR A 42 8.881 -5.446 0.661 1.00 0.00 C ATOM 496 OG1 THR A 42 8.065 -5.950 -0.374 1.00 0.00 O ATOM 497 CG2 THR A 42 10.305 -5.924 0.380 1.00 0.00 C ATOM 0 H THR A 42 6.721 -4.679 2.388 1.00 0.00 H new ATOM 0 HA THR A 42 8.544 -7.002 2.071 1.00 0.00 H new ATOM 0 HB THR A 42 8.868 -4.357 0.696 1.00 0.00 H new ATOM 0 HG1 THR A 42 8.403 -5.638 -1.239 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.627 -5.555 -0.594 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.975 -5.545 1.152 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.330 -7.014 0.381 1.00 0.00 H new ATOM 505 N VAL A 43 8.967 -5.867 4.379 1.00 0.00 N ATOM 506 CA VAL A 43 9.491 -5.324 5.649 1.00 0.00 C ATOM 507 C VAL A 43 11.018 -5.145 5.594 1.00 0.00 C ATOM 508 O VAL A 43 11.534 -4.182 6.160 1.00 0.00 O ATOM 509 CB VAL A 43 9.104 -6.225 6.851 1.00 0.00 C ATOM 510 CG1 VAL A 43 9.782 -5.803 8.171 1.00 0.00 C ATOM 511 CG2 VAL A 43 7.589 -6.169 7.093 1.00 0.00 C ATOM 0 H VAL A 43 8.504 -6.768 4.493 1.00 0.00 H new ATOM 0 HA VAL A 43 9.034 -4.345 5.791 1.00 0.00 H new ATOM 0 HB VAL A 43 9.439 -7.227 6.583 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.469 -6.474 8.971 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.865 -5.855 8.057 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.492 -4.782 8.419 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.332 -6.806 7.939 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.293 -5.142 7.308 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.065 -6.519 6.203 1.00 0.00 H new ATOM 521 N ALA A 44 11.745 -6.022 4.883 1.00 0.00 N ATOM 522 CA ALA A 44 13.211 -6.005 4.785 1.00 0.00 C ATOM 523 C ALA A 44 13.814 -4.708 4.206 1.00 0.00 C ATOM 524 O ALA A 44 14.985 -4.424 4.485 1.00 0.00 O ATOM 525 CB ALA A 44 13.658 -7.221 3.961 1.00 0.00 C ATOM 0 H ALA A 44 11.319 -6.779 4.349 1.00 0.00 H new ATOM 0 HA ALA A 44 13.592 -6.050 5.805 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.745 -7.225 3.878 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.329 -8.136 4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 44 13.218 -7.167 2.965 1.00 0.00 H new ATOM 531 N THR A 45 13.045 -3.921 3.441 1.00 0.00 N ATOM 532 CA THR A 45 13.418 -2.570 2.965 1.00 0.00 C ATOM 533 C THR A 45 12.346 -1.515 3.246 1.00 0.00 C ATOM 534 O THR A 45 12.573 -0.336 2.980 1.00 0.00 O ATOM 535 CB THR A 45 13.793 -2.588 1.475 1.00 0.00 C ATOM 536 OG1 THR A 45 12.783 -3.222 0.724 1.00 0.00 O ATOM 537 CG2 THR A 45 15.110 -3.336 1.254 1.00 0.00 C ATOM 0 H THR A 45 12.119 -4.209 3.124 1.00 0.00 H new ATOM 0 HA THR A 45 14.296 -2.279 3.541 1.00 0.00 H new ATOM 0 HB THR A 45 13.905 -1.554 1.149 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.033 -3.225 -0.224 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.355 -3.336 0.192 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.907 -2.842 1.810 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.008 -4.364 1.602 1.00 0.00 H new ATOM 545 N GLY A 46 11.201 -1.902 3.818 1.00 0.00 N ATOM 546 CA GLY A 46 10.129 -0.994 4.230 1.00 0.00 C ATOM 547 C GLY A 46 9.259 -0.532 3.063 1.00 0.00 C ATOM 548 O GLY A 46 8.892 0.642 3.039 1.00 0.00 O ATOM 0 H GLY A 46 10.990 -2.881 4.012 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.502 -1.493 4.969 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.566 -0.123 4.718 1.00 0.00 H new ATOM 552 N ARG A 47 8.963 -1.414 2.101 1.00 0.00 N ATOM 553 CA ARG A 47 8.200 -1.119 0.872 1.00 0.00 C ATOM 554 C ARG A 47 6.946 -2.012 0.743 1.00 0.00 C ATOM 555 O ARG A 47 6.659 -2.841 1.609 1.00 0.00 O ATOM 556 CB ARG A 47 9.124 -1.284 -0.355 1.00 0.00 C ATOM 557 CG ARG A 47 10.250 -0.240 -0.399 1.00 0.00 C ATOM 558 CD ARG A 47 10.998 -0.307 -1.737 1.00 0.00 C ATOM 559 NE ARG A 47 11.965 0.797 -1.873 1.00 0.00 N ATOM 560 CZ ARG A 47 12.308 1.402 -3.008 1.00 0.00 C ATOM 561 NH1 ARG A 47 11.888 1.004 -4.191 1.00 0.00 N ATOM 562 NH2 ARG A 47 13.095 2.451 -2.995 1.00 0.00 N ATOM 0 H ARG A 47 9.257 -2.389 2.154 1.00 0.00 H new ATOM 0 HA ARG A 47 7.847 -0.089 0.925 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.561 -2.282 -0.343 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.529 -1.208 -1.265 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.834 0.758 -0.259 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.946 -0.413 0.422 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.520 -1.261 -1.815 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.282 -0.267 -2.558 1.00 0.00 H new ATOM 0 HE ARG A 47 12.413 1.128 -1.018 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.270 0.196 -4.268 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.181 1.503 -5.031 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.451 2.811 -2.109 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.352 2.907 -3.871 1.00 0.00 H new ATOM 573 N LEU A 48 6.198 -1.843 -0.350 1.00 0.00 N ATOM 574 CA LEU A 48 4.971 -2.566 -0.712 1.00 0.00 C ATOM 575 C LEU A 48 4.984 -2.946 -2.204 1.00 0.00 C ATOM 576 O LEU A 48 5.736 -2.364 -2.991 1.00 0.00 O ATOM 577 CB LEU A 48 3.764 -1.648 -0.387 1.00 0.00 C ATOM 578 CG LEU A 48 2.903 -2.133 0.790 1.00 0.00 C ATOM 579 CD1 LEU A 48 1.998 -0.988 1.257 1.00 0.00 C ATOM 580 CD2 LEU A 48 2.021 -3.320 0.375 1.00 0.00 C ATOM 0 H LEU A 48 6.449 -1.150 -1.056 1.00 0.00 H new ATOM 0 HA LEU A 48 4.899 -3.493 -0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.133 -0.647 -0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.135 -1.566 -1.273 1.00 0.00 H new ATOM 0 HG LEU A 48 3.567 -2.452 1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.385 -1.326 2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.612 -0.146 1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.353 -0.676 0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.422 -3.643 1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.362 -3.017 -0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.653 -4.144 0.042 1.00 0.00 H new ATOM 591 N THR A 49 4.113 -3.878 -2.596 1.00 0.00 N ATOM 592 CA THR A 49 3.712 -4.154 -3.990 1.00 0.00 C ATOM 593 C THR A 49 2.200 -4.309 -3.992 1.00 0.00 C ATOM 594 O THR A 49 1.663 -4.930 -3.074 1.00 0.00 O ATOM 595 CB THR A 49 4.365 -5.429 -4.542 1.00 0.00 C ATOM 596 OG1 THR A 49 5.763 -5.368 -4.377 1.00 0.00 O ATOM 597 CG2 THR A 49 4.102 -5.603 -6.040 1.00 0.00 C ATOM 0 H THR A 49 3.644 -4.490 -1.928 1.00 0.00 H new ATOM 0 HA THR A 49 4.039 -3.335 -4.631 1.00 0.00 H new ATOM 0 HB THR A 49 3.931 -6.264 -3.991 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.170 -6.186 -4.731 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.582 -6.517 -6.390 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.028 -5.666 -6.216 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.509 -4.749 -6.582 1.00 0.00 H new ATOM 605 N VAL A 50 1.523 -3.742 -4.991 1.00 0.00 N ATOM 606 CA VAL A 50 0.049 -3.718 -5.064 1.00 0.00 C ATOM 607 C VAL A 50 -0.461 -3.681 -6.510 1.00 0.00 C ATOM 608 O VAL A 50 0.082 -2.947 -7.337 1.00 0.00 O ATOM 609 CB VAL A 50 -0.527 -2.554 -4.215 1.00 0.00 C ATOM 610 CG1 VAL A 50 -0.082 -1.159 -4.693 1.00 0.00 C ATOM 611 CG2 VAL A 50 -2.062 -2.600 -4.142 1.00 0.00 C ATOM 0 H VAL A 50 1.978 -3.282 -5.780 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.315 -4.653 -4.637 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.111 -2.708 -3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.524 -0.397 -4.052 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.005 -1.088 -4.646 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.411 -1.004 -5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.423 -1.767 -3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.476 -2.525 -5.147 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.377 -3.540 -3.689 1.00 0.00 H new ATOM 621 N THR A 51 -1.511 -4.463 -6.797 1.00 0.00 N ATOM 622 CA THR A 51 -2.212 -4.559 -8.090 1.00 0.00 C ATOM 623 C THR A 51 -3.609 -3.955 -7.987 1.00 0.00 C ATOM 624 O THR A 51 -4.446 -4.476 -7.254 1.00 0.00 O ATOM 625 CB THR A 51 -2.328 -6.026 -8.523 1.00 0.00 C ATOM 626 OG1 THR A 51 -1.044 -6.579 -8.648 1.00 0.00 O ATOM 627 CG2 THR A 51 -3.015 -6.150 -9.883 1.00 0.00 C ATOM 0 H THR A 51 -1.919 -5.081 -6.095 1.00 0.00 H new ATOM 0 HA THR A 51 -1.635 -4.005 -8.831 1.00 0.00 H new ATOM 0 HB THR A 51 -2.915 -6.548 -7.767 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.107 -7.460 -9.073 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.082 -7.201 -10.162 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.017 -5.725 -9.824 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.436 -5.612 -10.633 1.00 0.00 H new ATOM 635 N TYR A 52 -3.886 -2.911 -8.772 1.00 0.00 N ATOM 636 CA TYR A 52 -5.182 -2.217 -8.790 1.00 0.00 C ATOM 637 C TYR A 52 -5.553 -1.664 -10.180 1.00 0.00 C ATOM 638 O TYR A 52 -4.683 -1.397 -11.008 1.00 0.00 O ATOM 639 CB TYR A 52 -5.217 -1.113 -7.714 1.00 0.00 C ATOM 640 CG TYR A 52 -4.375 0.132 -7.969 1.00 0.00 C ATOM 641 CD1 TYR A 52 -4.888 1.190 -8.749 1.00 0.00 C ATOM 642 CD2 TYR A 52 -3.103 0.265 -7.376 1.00 0.00 C ATOM 643 CE1 TYR A 52 -4.136 2.365 -8.940 1.00 0.00 C ATOM 644 CE2 TYR A 52 -2.351 1.447 -7.547 1.00 0.00 C ATOM 645 CZ TYR A 52 -2.869 2.504 -8.327 1.00 0.00 C ATOM 646 OH TYR A 52 -2.167 3.657 -8.507 1.00 0.00 O ATOM 0 H TYR A 52 -3.208 -2.516 -9.424 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.944 -2.960 -8.554 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.253 -0.800 -7.584 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.895 -1.551 -6.769 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.864 1.098 -9.202 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.700 -0.545 -6.786 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.527 3.161 -9.556 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.381 1.543 -7.082 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.339 3.621 -7.984 1.00 0.00 H new ATOM 655 N ASP A 53 -6.855 -1.473 -10.427 1.00 0.00 N ATOM 656 CA ASP A 53 -7.393 -0.943 -11.679 1.00 0.00 C ATOM 657 C ASP A 53 -7.615 0.575 -11.516 1.00 0.00 C ATOM 658 O ASP A 53 -8.423 0.965 -10.661 1.00 0.00 O ATOM 659 CB ASP A 53 -8.700 -1.677 -12.016 1.00 0.00 C ATOM 660 CG ASP A 53 -9.318 -1.188 -13.324 1.00 0.00 C ATOM 661 OD1 ASP A 53 -10.025 -0.155 -13.300 1.00 0.00 O ATOM 662 OD2 ASP A 53 -9.093 -1.840 -14.371 1.00 0.00 O ATOM 0 H ASP A 53 -7.579 -1.689 -9.742 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.698 -1.102 -12.503 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.505 -2.747 -12.086 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.413 -1.535 -11.204 1.00 0.00 H new ATOM 666 N PRO A 54 -6.927 1.427 -12.306 1.00 0.00 N ATOM 667 CA PRO A 54 -6.877 2.880 -12.113 1.00 0.00 C ATOM 668 C PRO A 54 -8.176 3.599 -12.516 1.00 0.00 C ATOM 669 O PRO A 54 -8.190 4.825 -12.620 1.00 0.00 O ATOM 670 CB PRO A 54 -5.675 3.342 -12.948 1.00 0.00 C ATOM 671 CG PRO A 54 -5.672 2.357 -14.113 1.00 0.00 C ATOM 672 CD PRO A 54 -6.078 1.053 -13.431 1.00 0.00 C ATOM 0 HA PRO A 54 -6.770 3.130 -11.058 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.791 4.371 -13.289 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.746 3.298 -12.379 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.377 2.646 -14.893 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.691 2.283 -14.582 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.613 0.403 -14.123 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.201 0.503 -13.090 1.00 0.00 H new ATOM 677 N LYS A 55 -9.263 2.852 -12.756 1.00 0.00 N ATOM 678 CA LYS A 55 -10.572 3.391 -13.141 1.00 0.00 C ATOM 679 C LYS A 55 -11.717 2.846 -12.274 1.00 0.00 C ATOM 680 O LYS A 55 -12.651 3.596 -11.993 1.00 0.00 O ATOM 681 CB LYS A 55 -10.812 3.122 -14.640 1.00 0.00 C ATOM 682 CG LYS A 55 -9.870 3.882 -15.590 1.00 0.00 C ATOM 683 CD LYS A 55 -10.139 5.393 -15.587 1.00 0.00 C ATOM 684 CE LYS A 55 -9.058 6.141 -16.370 1.00 0.00 C ATOM 685 NZ LYS A 55 -9.255 7.604 -16.275 1.00 0.00 N ATOM 0 H LYS A 55 -9.255 1.834 -12.686 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.561 4.467 -12.966 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.706 2.053 -14.825 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.841 3.387 -14.882 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.836 3.698 -15.298 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.988 3.496 -16.602 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.116 5.593 -16.026 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.170 5.759 -14.561 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.074 5.877 -15.983 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.082 5.834 -17.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.510 8.090 -16.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.185 7.855 -16.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.208 7.897 -15.278 1.00 0.00 H new ATOM 695 N GLN A 56 -11.623 1.606 -11.778 1.00 0.00 N ATOM 696 CA GLN A 56 -12.464 1.109 -10.678 1.00 0.00 C ATOM 697 C GLN A 56 -12.086 1.769 -9.348 1.00 0.00 C ATOM 698 O GLN A 56 -12.982 2.098 -8.572 1.00 0.00 O ATOM 699 CB GLN A 56 -12.306 -0.411 -10.508 1.00 0.00 C ATOM 700 CG GLN A 56 -12.834 -1.249 -11.680 1.00 0.00 C ATOM 701 CD GLN A 56 -14.355 -1.300 -11.808 1.00 0.00 C ATOM 702 OE1 GLN A 56 -15.116 -0.850 -10.954 1.00 0.00 O ATOM 703 NE2 GLN A 56 -14.847 -1.862 -12.889 1.00 0.00 N ATOM 0 H GLN A 56 -10.959 0.915 -12.129 1.00 0.00 H new ATOM 0 HA GLN A 56 -13.494 1.355 -10.936 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.250 -0.638 -10.364 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.824 -0.716 -9.599 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -12.420 -0.851 -12.606 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.460 -2.267 -11.576 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -14.219 -2.237 -13.600 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -15.857 -1.924 -13.017 1.00 0.00 H new ATOM 710 N VAL A 57 -10.783 1.958 -9.090 1.00 0.00 N ATOM 711 CA VAL A 57 -10.226 2.560 -7.864 1.00 0.00 C ATOM 712 C VAL A 57 -8.969 3.372 -8.217 1.00 0.00 C ATOM 713 O VAL A 57 -8.757 3.717 -9.378 1.00 0.00 O ATOM 714 CB VAL A 57 -9.921 1.505 -6.762 1.00 0.00 C ATOM 715 CG1 VAL A 57 -11.173 0.767 -6.277 1.00 0.00 C ATOM 716 CG2 VAL A 57 -8.885 0.453 -7.209 1.00 0.00 C ATOM 0 H VAL A 57 -10.058 1.686 -9.754 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.982 3.224 -7.445 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.509 2.091 -5.940 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.895 0.045 -5.509 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.880 1.485 -5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.636 0.246 -7.115 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.713 -0.256 -6.399 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.261 -0.079 -8.083 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.948 0.949 -7.462 1.00 0.00 H new ATOM 726 N SER A 58 -8.120 3.677 -7.237 1.00 0.00 N ATOM 727 CA SER A 58 -6.870 4.422 -7.394 1.00 0.00 C ATOM 728 C SER A 58 -5.962 4.164 -6.177 1.00 0.00 C ATOM 729 O SER A 58 -6.266 3.301 -5.349 1.00 0.00 O ATOM 730 CB SER A 58 -7.207 5.915 -7.539 1.00 0.00 C ATOM 731 OG SER A 58 -7.706 6.456 -6.330 1.00 0.00 O ATOM 0 H SER A 58 -8.291 3.400 -6.270 1.00 0.00 H new ATOM 0 HA SER A 58 -6.334 4.095 -8.285 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.314 6.462 -7.842 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.946 6.047 -8.330 1.00 0.00 H new ATOM 0 HG SER A 58 -7.909 7.407 -6.456 1.00 0.00 H new ATOM 736 N GLU A 59 -4.919 4.984 -5.995 1.00 0.00 N ATOM 737 CA GLU A 59 -4.198 5.133 -4.725 1.00 0.00 C ATOM 738 C GLU A 59 -5.131 5.255 -3.504 1.00 0.00 C ATOM 739 O GLU A 59 -4.763 4.843 -2.408 1.00 0.00 O ATOM 740 CB GLU A 59 -3.270 6.366 -4.808 1.00 0.00 C ATOM 741 CG GLU A 59 -4.023 7.705 -4.940 1.00 0.00 C ATOM 742 CD GLU A 59 -3.086 8.904 -5.059 1.00 0.00 C ATOM 743 OE1 GLU A 59 -2.593 9.373 -4.010 1.00 0.00 O ATOM 744 OE2 GLU A 59 -2.909 9.437 -6.186 1.00 0.00 O ATOM 0 H GLU A 59 -4.546 5.573 -6.740 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.616 4.223 -4.576 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.644 6.398 -3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.603 6.250 -5.662 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.670 7.667 -5.816 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.669 7.840 -4.073 1.00 0.00 H new ATOM 749 N ILE A 60 -6.345 5.796 -3.669 1.00 0.00 N ATOM 750 CA ILE A 60 -7.282 6.113 -2.583 1.00 0.00 C ATOM 751 C ILE A 60 -7.552 4.908 -1.674 1.00 0.00 C ATOM 752 O ILE A 60 -7.403 5.049 -0.459 1.00 0.00 O ATOM 753 CB ILE A 60 -8.561 6.736 -3.186 1.00 0.00 C ATOM 754 CG1 ILE A 60 -8.313 8.180 -3.693 1.00 0.00 C ATOM 755 CG2 ILE A 60 -9.744 6.689 -2.216 1.00 0.00 C ATOM 756 CD1 ILE A 60 -8.063 9.248 -2.619 1.00 0.00 C ATOM 0 H ILE A 60 -6.714 6.032 -4.590 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.830 6.852 -1.921 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.826 6.122 -4.047 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.454 8.163 -4.364 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -9.175 8.487 -4.285 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.618 7.139 -2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.963 5.653 -1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -9.494 7.242 -1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.903 10.214 -3.097 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.928 9.309 -1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.180 8.980 -2.038 1.00 0.00 H new ATOM 767 N THR A 61 -7.854 3.725 -2.232 1.00 0.00 N ATOM 768 CA THR A 61 -8.160 2.498 -1.463 1.00 0.00 C ATOM 769 C THR A 61 -7.064 2.148 -0.451 1.00 0.00 C ATOM 770 O THR A 61 -7.372 1.621 0.617 1.00 0.00 O ATOM 771 CB THR A 61 -8.420 1.339 -2.440 1.00 0.00 C ATOM 772 OG1 THR A 61 -9.618 1.610 -3.130 1.00 0.00 O ATOM 773 CG2 THR A 61 -8.590 -0.030 -1.775 1.00 0.00 C ATOM 0 H THR A 61 -7.894 3.587 -3.242 1.00 0.00 H new ATOM 0 HA THR A 61 -9.058 2.680 -0.873 1.00 0.00 H new ATOM 0 HB THR A 61 -7.542 1.281 -3.083 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.803 0.884 -3.761 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.769 -0.786 -2.539 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.685 -0.281 -1.222 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.437 0.001 -1.090 1.00 0.00 H new ATOM 781 N ILE A 62 -5.799 2.456 -0.755 1.00 0.00 N ATOM 782 CA ILE A 62 -4.630 2.148 0.089 1.00 0.00 C ATOM 783 C ILE A 62 -4.074 3.380 0.837 1.00 0.00 C ATOM 784 O ILE A 62 -3.600 3.221 1.965 1.00 0.00 O ATOM 785 CB ILE A 62 -3.626 1.327 -0.757 1.00 0.00 C ATOM 786 CG1 ILE A 62 -2.593 0.633 0.149 1.00 0.00 C ATOM 787 CG2 ILE A 62 -2.984 2.146 -1.889 1.00 0.00 C ATOM 788 CD1 ILE A 62 -1.685 -0.374 -0.569 1.00 0.00 C ATOM 0 H ILE A 62 -5.549 2.940 -1.617 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.916 1.517 0.930 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.189 0.545 -1.267 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.969 1.395 0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.121 0.118 0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.290 1.516 -2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.761 2.511 -2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.444 2.993 -1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.990 -0.813 0.147 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.294 -1.161 -1.013 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.124 0.136 -1.353 1.00 0.00 H new ATOM 799 N GLN A 63 -4.266 4.604 0.322 1.00 0.00 N ATOM 800 CA GLN A 63 -4.138 5.860 1.084 1.00 0.00 C ATOM 801 C GLN A 63 -5.033 5.818 2.331 1.00 0.00 C ATOM 802 O GLN A 63 -4.559 6.106 3.429 1.00 0.00 O ATOM 803 CB GLN A 63 -4.559 7.081 0.234 1.00 0.00 C ATOM 804 CG GLN A 63 -3.631 7.507 -0.919 1.00 0.00 C ATOM 805 CD GLN A 63 -2.371 8.253 -0.484 1.00 0.00 C ATOM 806 OE1 GLN A 63 -2.032 8.352 0.691 1.00 0.00 O ATOM 807 NE2 GLN A 63 -1.623 8.818 -1.404 1.00 0.00 N ATOM 0 H GLN A 63 -4.520 4.754 -0.655 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.090 5.959 1.367 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.543 6.873 -0.187 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.673 7.933 0.905 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.336 6.618 -1.477 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.194 8.141 -1.604 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.885 8.749 -2.387 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.780 9.326 -1.135 1.00 0.00 H new ATOM 814 N GLU A 64 -6.300 5.410 2.171 1.00 0.00 N ATOM 815 CA GLU A 64 -7.290 5.212 3.240 1.00 0.00 C ATOM 816 C GLU A 64 -6.772 4.369 4.408 1.00 0.00 C ATOM 817 O GLU A 64 -7.149 4.643 5.550 1.00 0.00 O ATOM 818 CB GLU A 64 -8.547 4.548 2.640 1.00 0.00 C ATOM 819 CG GLU A 64 -9.484 5.554 1.962 1.00 0.00 C ATOM 820 CD GLU A 64 -10.750 4.929 1.363 1.00 0.00 C ATOM 821 OE1 GLU A 64 -10.770 3.734 0.977 1.00 0.00 O ATOM 822 OE2 GLU A 64 -11.761 5.665 1.261 1.00 0.00 O ATOM 0 H GLU A 64 -6.681 5.199 1.249 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.519 6.196 3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.243 3.795 1.913 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.090 4.028 3.429 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.776 6.310 2.691 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.937 6.067 1.171 1.00 0.00 H new ATOM 827 N ARG A 65 -5.909 3.382 4.138 1.00 0.00 N ATOM 828 CA ARG A 65 -5.344 2.464 5.130 1.00 0.00 C ATOM 829 C ARG A 65 -4.001 2.961 5.675 1.00 0.00 C ATOM 830 O ARG A 65 -3.801 2.972 6.888 1.00 0.00 O ATOM 831 CB ARG A 65 -5.240 1.078 4.463 1.00 0.00 C ATOM 832 CG ARG A 65 -4.807 -0.087 5.373 1.00 0.00 C ATOM 833 CD ARG A 65 -5.579 -0.236 6.692 1.00 0.00 C ATOM 834 NE ARG A 65 -7.044 -0.176 6.494 1.00 0.00 N ATOM 835 CZ ARG A 65 -7.992 -0.643 7.298 1.00 0.00 C ATOM 836 NH1 ARG A 65 -7.742 -1.311 8.398 1.00 0.00 N ATOM 837 NH2 ARG A 65 -9.246 -0.420 6.989 1.00 0.00 N ATOM 0 H ARG A 65 -5.575 3.196 3.192 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.992 2.404 6.005 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.210 0.832 4.031 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.532 1.148 3.637 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.905 -1.016 4.811 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.749 0.035 5.606 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.316 -1.185 7.159 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.275 0.553 7.380 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.364 0.278 5.638 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.778 -1.496 8.674 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.512 -1.646 8.977 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.478 0.103 6.145 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.990 -0.770 7.593 1.00 0.00 H new ATOM 848 N ILE A 66 -3.079 3.405 4.817 1.00 0.00 N ATOM 849 CA ILE A 66 -1.725 3.820 5.238 1.00 0.00 C ATOM 850 C ILE A 66 -1.754 5.146 6.011 1.00 0.00 C ATOM 851 O ILE A 66 -1.083 5.254 7.038 1.00 0.00 O ATOM 852 CB ILE A 66 -0.766 3.817 4.022 1.00 0.00 C ATOM 853 CG1 ILE A 66 -0.582 2.362 3.520 1.00 0.00 C ATOM 854 CG2 ILE A 66 0.605 4.423 4.384 1.00 0.00 C ATOM 855 CD1 ILE A 66 0.022 2.262 2.118 1.00 0.00 C ATOM 0 H ILE A 66 -3.242 3.489 3.814 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.329 3.093 5.947 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.205 4.431 3.236 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.058 1.825 4.220 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.550 1.861 3.524 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.253 4.405 3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.471 5.453 4.716 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.061 3.840 5.184 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.119 1.213 1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.628 2.769 1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.005 2.732 2.111 1.00 0.00 H new ATOM 866 N ALA A 67 -2.587 6.109 5.598 1.00 0.00 N ATOM 867 CA ALA A 67 -2.756 7.371 6.327 1.00 0.00 C ATOM 868 C ALA A 67 -3.520 7.197 7.659 1.00 0.00 C ATOM 869 O ALA A 67 -3.386 8.030 8.558 1.00 0.00 O ATOM 870 CB ALA A 67 -3.465 8.379 5.412 1.00 0.00 C ATOM 0 H ALA A 67 -3.158 6.036 4.756 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.768 7.742 6.598 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.597 9.322 5.943 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.863 8.546 4.519 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.440 7.986 5.124 1.00 0.00 H new ATOM 876 N ALA A 68 -4.310 6.124 7.818 1.00 0.00 N ATOM 877 CA ALA A 68 -5.066 5.828 9.039 1.00 0.00 C ATOM 878 C ALA A 68 -4.165 5.227 10.130 1.00 0.00 C ATOM 879 O ALA A 68 -4.288 5.597 11.302 1.00 0.00 O ATOM 880 CB ALA A 68 -6.233 4.898 8.681 1.00 0.00 C ATOM 0 H ALA A 68 -4.442 5.426 7.086 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.463 6.754 9.454 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.805 4.669 9.580 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.880 5.390 7.955 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.844 3.974 8.253 1.00 0.00 H new ATOM 886 N LEU A 69 -3.215 4.369 9.733 1.00 0.00 N ATOM 887 CA LEU A 69 -2.131 3.881 10.599 1.00 0.00 C ATOM 888 C LEU A 69 -1.119 4.974 11.002 1.00 0.00 C ATOM 889 O LEU A 69 -0.341 4.752 11.932 1.00 0.00 O ATOM 890 CB LEU A 69 -1.429 2.680 9.926 1.00 0.00 C ATOM 891 CG LEU A 69 -1.963 1.292 10.346 1.00 0.00 C ATOM 892 CD1 LEU A 69 -1.787 1.053 11.853 1.00 0.00 C ATOM 893 CD2 LEU A 69 -3.426 1.071 9.944 1.00 0.00 C ATOM 0 H LEU A 69 -3.177 3.988 8.787 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.588 3.559 11.534 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.529 2.779 8.845 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.364 2.727 10.153 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.362 0.564 9.802 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.173 0.067 12.113 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.729 1.107 12.109 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.334 1.815 12.409 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.746 0.080 10.265 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.052 1.826 10.420 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.522 1.150 8.861 1.00 0.00 H new ATOM 904 N GLY A 70 -1.150 6.145 10.354 1.00 0.00 N ATOM 905 CA GLY A 70 -0.385 7.344 10.731 1.00 0.00 C ATOM 906 C GLY A 70 0.844 7.624 9.862 1.00 0.00 C ATOM 907 O GLY A 70 1.500 8.647 10.055 1.00 0.00 O ATOM 0 H GLY A 70 -1.727 6.291 9.525 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.047 8.208 10.687 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.063 7.241 11.767 1.00 0.00 H new ATOM 911 N TYR A 71 1.150 6.757 8.895 1.00 0.00 N ATOM 912 CA TYR A 71 2.222 6.959 7.910 1.00 0.00 C ATOM 913 C TYR A 71 1.705 7.721 6.669 1.00 0.00 C ATOM 914 O TYR A 71 0.597 8.263 6.685 1.00 0.00 O ATOM 915 CB TYR A 71 2.833 5.589 7.571 1.00 0.00 C ATOM 916 CG TYR A 71 3.446 4.882 8.768 1.00 0.00 C ATOM 917 CD1 TYR A 71 4.757 5.196 9.174 1.00 0.00 C ATOM 918 CD2 TYR A 71 2.699 3.933 9.496 1.00 0.00 C ATOM 919 CE1 TYR A 71 5.325 4.560 10.293 1.00 0.00 C ATOM 920 CE2 TYR A 71 3.265 3.288 10.613 1.00 0.00 C ATOM 921 CZ TYR A 71 4.588 3.594 11.009 1.00 0.00 C ATOM 922 OH TYR A 71 5.159 2.963 12.072 1.00 0.00 O ATOM 0 H TYR A 71 0.651 5.876 8.770 1.00 0.00 H new ATOM 0 HA TYR A 71 3.008 7.590 8.326 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.060 4.952 7.141 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.599 5.721 6.807 1.00 0.00 H new ATOM 0 HD1 TYR A 71 5.329 5.928 8.624 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.688 3.700 9.196 1.00 0.00 H new ATOM 0 HE1 TYR A 71 6.328 4.812 10.604 1.00 0.00 H new ATOM 0 HE2 TYR A 71 2.690 2.561 11.166 1.00 0.00 H new ATOM 0 HH TYR A 71 4.658 2.146 12.275 1.00 0.00 H new ATOM 931 N THR A 72 2.469 7.775 5.567 1.00 0.00 N ATOM 932 CA THR A 72 1.994 8.289 4.265 1.00 0.00 C ATOM 933 C THR A 72 2.800 7.636 3.142 1.00 0.00 C ATOM 934 O THR A 72 4.028 7.596 3.224 1.00 0.00 O ATOM 935 CB THR A 72 2.080 9.824 4.203 1.00 0.00 C ATOM 936 OG1 THR A 72 1.078 10.353 5.043 1.00 0.00 O ATOM 937 CG2 THR A 72 1.816 10.405 2.812 1.00 0.00 C ATOM 0 H THR A 72 3.440 7.462 5.550 1.00 0.00 H new ATOM 0 HA THR A 72 0.942 8.030 4.142 1.00 0.00 H new ATOM 0 HB THR A 72 3.096 10.087 4.498 1.00 0.00 H new ATOM 0 HG1 THR A 72 0.708 9.638 5.602 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.895 11.491 2.851 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.550 10.013 2.108 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.815 10.125 2.485 1.00 0.00 H new ATOM 945 N LEU A 73 2.114 7.107 2.124 1.00 0.00 N ATOM 946 CA LEU A 73 2.721 6.357 1.011 1.00 0.00 C ATOM 947 C LEU A 73 3.381 7.241 -0.056 1.00 0.00 C ATOM 948 O LEU A 73 3.130 8.448 -0.138 1.00 0.00 O ATOM 949 CB LEU A 73 1.681 5.388 0.410 1.00 0.00 C ATOM 950 CG LEU A 73 0.587 6.010 -0.493 1.00 0.00 C ATOM 951 CD1 LEU A 73 0.994 6.144 -1.971 1.00 0.00 C ATOM 952 CD2 LEU A 73 -0.663 5.121 -0.422 1.00 0.00 C ATOM 0 H LEU A 73 1.100 7.188 2.046 1.00 0.00 H new ATOM 0 HA LEU A 73 3.548 5.781 1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.214 4.636 -0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.188 4.867 1.231 1.00 0.00 H new ATOM 0 HG LEU A 73 0.410 7.018 -0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.174 6.588 -2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.875 6.781 -2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.222 5.158 -2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.446 5.543 -1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.417 4.118 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.015 5.070 0.608 1.00 0.00 H new ATOM 963 N ALA A 74 4.146 6.603 -0.939 1.00 0.00 N ATOM 964 CA ALA A 74 4.655 7.167 -2.186 1.00 0.00 C ATOM 965 C ALA A 74 4.613 6.125 -3.323 1.00 0.00 C ATOM 966 O ALA A 74 4.878 4.945 -3.103 1.00 0.00 O ATOM 967 CB ALA A 74 6.078 7.673 -1.923 1.00 0.00 C ATOM 0 H ALA A 74 4.441 5.637 -0.798 1.00 0.00 H new ATOM 0 HA ALA A 74 4.028 7.997 -2.513 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.487 8.101 -2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.055 8.435 -1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.705 6.843 -1.599 1.00 0.00 H new ATOM 973 N GLU A 75 4.284 6.551 -4.545 1.00 0.00 N ATOM 974 CA GLU A 75 4.081 5.664 -5.703 1.00 0.00 C ATOM 975 C GLU A 75 4.363 6.459 -6.995 1.00 0.00 C ATOM 976 O GLU A 75 3.544 7.315 -7.356 1.00 0.00 O ATOM 977 CB GLU A 75 2.661 5.059 -5.647 1.00 0.00 C ATOM 978 CG GLU A 75 2.347 3.984 -6.707 1.00 0.00 C ATOM 979 CD GLU A 75 1.445 4.485 -7.842 1.00 0.00 C ATOM 980 OE1 GLU A 75 0.256 4.786 -7.594 1.00 0.00 O ATOM 981 OE2 GLU A 75 1.913 4.579 -9.001 1.00 0.00 O ATOM 0 H GLU A 75 4.148 7.538 -4.766 1.00 0.00 H new ATOM 0 HA GLU A 75 4.775 4.823 -5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.511 4.623 -4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.938 5.868 -5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.283 3.620 -7.132 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.867 3.135 -6.220 1.00 0.00 H new ATOM 986 N PRO A 76 5.526 6.248 -7.648 1.00 0.00 N ATOM 987 CA PRO A 76 6.084 7.157 -8.661 1.00 0.00 C ATOM 988 C PRO A 76 5.477 7.001 -10.060 1.00 0.00 C ATOM 989 O PRO A 76 5.377 8.018 -10.786 1.00 0.00 O ATOM 990 CB PRO A 76 7.591 6.866 -8.665 1.00 0.00 C ATOM 991 CG PRO A 76 7.664 5.386 -8.300 1.00 0.00 C ATOM 992 CD PRO A 76 6.525 5.243 -7.296 1.00 0.00 C ATOM 0 HA PRO A 76 5.849 8.190 -8.404 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.036 7.062 -9.641 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.122 7.485 -7.942 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.522 4.745 -9.170 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.627 5.122 -7.863 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.097 4.241 -7.336 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.885 5.395 -6.278 1.00 0.00 H new