USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 479 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 Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.353 USER MOD Single : A 30 GLN : amide:sc= -0.032 X(o=-0.032,f=-0.032) USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0651) USER MOD Single : A 37 TYR OH : rot -121:sc= -0.266 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.994 K(o=-0.99,f=-0.029) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -84:sc= 0.587 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= -0.168 USER MOD Single : A 73 THR OG1 : rot 41:sc= 0.0466 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0991 K(o=-0.099,f=-3.1!) USER MOD Single : A 89 TYR OH : rot 133:sc= 0.0752 USER MOD Single : A 90 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00743) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 22 1.733 -2.778 -3.416 1.00 0.00 N ATOM 20 CA ALA A 22 1.165 -3.563 -4.535 1.00 0.00 C ATOM 21 C ALA A 22 1.824 -3.189 -5.875 1.00 0.00 C ATOM 22 O ALA A 22 1.441 -2.195 -6.499 1.00 0.00 O ATOM 23 CB ALA A 22 -0.373 -3.454 -4.594 1.00 0.00 C ATOM 0 HA ALA A 22 1.395 -4.611 -4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.748 -4.045 -5.430 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.800 -3.829 -3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.659 -2.411 -4.730 1.00 0.00 H new ATOM 29 N ALA A 23 2.836 -3.982 -6.277 1.00 0.00 N ATOM 30 CA ALA A 23 3.643 -3.748 -7.489 1.00 0.00 C ATOM 31 C ALA A 23 2.771 -3.640 -8.755 1.00 0.00 C ATOM 32 O ALA A 23 1.792 -4.381 -8.912 1.00 0.00 O ATOM 33 CB ALA A 23 4.684 -4.865 -7.654 1.00 0.00 C ATOM 0 H ALA A 23 3.119 -4.815 -5.761 1.00 0.00 H new ATOM 0 HA ALA A 23 4.153 -2.793 -7.364 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.274 -4.682 -8.552 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.341 -4.881 -6.785 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.176 -5.825 -7.743 1.00 0.00 H new ATOM 39 N THR A 24 3.143 -2.703 -9.637 1.00 0.00 N ATOM 40 CA THR A 24 2.443 -2.443 -10.905 1.00 0.00 C ATOM 41 C THR A 24 2.598 -3.638 -11.851 1.00 0.00 C ATOM 42 O THR A 24 3.700 -4.167 -11.981 1.00 0.00 O ATOM 43 CB THR A 24 3.037 -1.161 -11.577 1.00 0.00 C ATOM 44 OG1 THR A 24 2.920 -0.058 -10.660 1.00 0.00 O ATOM 45 CG2 THR A 24 2.352 -0.798 -12.915 1.00 0.00 C ATOM 0 H THR A 24 3.949 -2.096 -9.489 1.00 0.00 H new ATOM 0 HA THR A 24 1.383 -2.291 -10.700 1.00 0.00 H new ATOM 0 HB THR A 24 4.081 -1.371 -11.810 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.291 0.750 -11.071 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.812 0.100 -13.327 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.470 -1.622 -13.619 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.291 -0.616 -12.743 1.00 0.00 H new ATOM 53 N GLU A 25 1.502 -4.087 -12.492 1.00 0.00 N ATOM 54 CA GLU A 25 1.606 -5.133 -13.513 1.00 0.00 C ATOM 55 C GLU A 25 2.333 -4.547 -14.729 1.00 0.00 C ATOM 56 O GLU A 25 1.867 -3.571 -15.338 1.00 0.00 O ATOM 57 CB GLU A 25 0.221 -5.706 -13.907 1.00 0.00 C ATOM 58 CG GLU A 25 0.293 -6.855 -14.940 1.00 0.00 C ATOM 59 CD GLU A 25 -1.052 -7.567 -15.147 1.00 0.00 C ATOM 60 OE1 GLU A 25 -1.911 -7.030 -15.877 1.00 0.00 O ATOM 61 OE2 GLU A 25 -1.258 -8.659 -14.574 1.00 0.00 O ATOM 0 H GLU A 25 0.555 -3.747 -12.322 1.00 0.00 H new ATOM 0 HA GLU A 25 2.172 -5.972 -13.108 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.281 -6.067 -13.010 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.392 -4.902 -14.314 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.636 -6.456 -15.894 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.036 -7.583 -14.613 1.00 0.00 H new ATOM 68 N LEU A 26 3.505 -5.111 -15.023 1.00 0.00 N ATOM 69 CA LEU A 26 4.330 -4.714 -16.156 1.00 0.00 C ATOM 70 C LEU A 26 3.666 -5.222 -17.443 1.00 0.00 C ATOM 71 O LEU A 26 3.139 -6.338 -17.466 1.00 0.00 O ATOM 72 CB LEU A 26 5.777 -5.270 -15.995 1.00 0.00 C ATOM 73 CG LEU A 26 6.860 -4.613 -16.907 1.00 0.00 C ATOM 74 CD1 LEU A 26 6.985 -3.094 -16.630 1.00 0.00 C ATOM 75 CD2 LEU A 26 8.225 -5.321 -16.755 1.00 0.00 C ATOM 0 H LEU A 26 3.910 -5.867 -14.471 1.00 0.00 H new ATOM 0 HA LEU A 26 4.410 -3.628 -16.204 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.080 -5.146 -14.955 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.760 -6.341 -16.197 1.00 0.00 H new ATOM 0 HG LEU A 26 6.536 -4.735 -17.941 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.747 -2.667 -17.281 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.028 -2.609 -16.824 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.267 -2.936 -15.589 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.958 -4.840 -17.403 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.557 -5.253 -15.719 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.124 -6.369 -17.036 1.00 0.00 H new ATOM 87 N THR A 27 3.644 -4.382 -18.484 1.00 0.00 N ATOM 88 CA THR A 27 3.016 -4.721 -19.763 1.00 0.00 C ATOM 89 C THR A 27 3.864 -5.770 -20.520 1.00 0.00 C ATOM 90 O THR A 27 5.091 -5.770 -20.365 1.00 0.00 O ATOM 91 CB THR A 27 2.820 -3.436 -20.631 1.00 0.00 C ATOM 92 OG1 THR A 27 4.090 -2.810 -20.869 1.00 0.00 O ATOM 93 CG2 THR A 27 1.867 -2.429 -19.950 1.00 0.00 C ATOM 0 H THR A 27 4.060 -3.451 -18.462 1.00 0.00 H new ATOM 0 HA THR A 27 2.035 -5.153 -19.565 1.00 0.00 H new ATOM 0 HB THR A 27 2.372 -3.739 -21.577 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.961 -2.006 -21.415 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.755 -1.549 -20.583 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.893 -2.894 -19.800 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.280 -2.133 -18.986 1.00 0.00 H new ATOM 101 N PRO A 28 3.213 -6.691 -21.325 1.00 0.00 N ATOM 102 CA PRO A 28 3.914 -7.718 -22.154 1.00 0.00 C ATOM 103 C PRO A 28 5.100 -7.164 -22.969 1.00 0.00 C ATOM 104 O PRO A 28 6.129 -7.825 -23.125 1.00 0.00 O ATOM 105 CB PRO A 28 2.795 -8.212 -23.107 1.00 0.00 C ATOM 106 CG PRO A 28 1.531 -8.050 -22.325 1.00 0.00 C ATOM 107 CD PRO A 28 1.730 -6.818 -21.456 1.00 0.00 C ATOM 0 HA PRO A 28 4.362 -8.491 -21.529 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.770 -7.626 -24.026 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.951 -9.251 -23.396 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.675 -7.925 -22.988 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.335 -8.931 -21.714 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.295 -5.932 -21.918 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.254 -6.937 -20.483 1.00 0.00 H new ATOM 115 N GLU A 29 4.923 -5.930 -23.454 1.00 0.00 N ATOM 116 CA GLU A 29 5.875 -5.255 -24.347 1.00 0.00 C ATOM 117 C GLU A 29 7.159 -4.828 -23.602 1.00 0.00 C ATOM 118 O GLU A 29 8.263 -4.918 -24.154 1.00 0.00 O ATOM 119 CB GLU A 29 5.162 -4.049 -25.004 1.00 0.00 C ATOM 120 CG GLU A 29 3.885 -4.450 -25.775 1.00 0.00 C ATOM 121 CD GLU A 29 3.202 -3.277 -26.495 1.00 0.00 C ATOM 122 OE1 GLU A 29 2.481 -2.505 -25.837 1.00 0.00 O ATOM 123 OE2 GLU A 29 3.386 -3.121 -27.723 1.00 0.00 O ATOM 0 H GLU A 29 4.104 -5.363 -23.235 1.00 0.00 H new ATOM 0 HA GLU A 29 6.198 -5.950 -25.122 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.902 -3.324 -24.233 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.852 -3.554 -25.687 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.140 -5.216 -26.508 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.177 -4.899 -25.078 1.00 0.00 H new ATOM 130 N GLN A 30 7.006 -4.374 -22.342 1.00 0.00 N ATOM 131 CA GLN A 30 8.150 -4.034 -21.472 1.00 0.00 C ATOM 132 C GLN A 30 8.835 -5.322 -20.968 1.00 0.00 C ATOM 133 O GLN A 30 10.049 -5.489 -21.094 1.00 0.00 O ATOM 134 CB GLN A 30 7.689 -3.168 -20.268 1.00 0.00 C ATOM 135 CG GLN A 30 7.119 -1.782 -20.619 1.00 0.00 C ATOM 136 CD GLN A 30 8.124 -0.866 -21.317 1.00 0.00 C ATOM 137 OE1 GLN A 30 8.196 -0.824 -22.538 1.00 0.00 O ATOM 138 NE2 GLN A 30 8.928 -0.150 -20.540 1.00 0.00 N ATOM 0 H GLN A 30 6.096 -4.234 -21.902 1.00 0.00 H new ATOM 0 HA GLN A 30 8.866 -3.456 -22.057 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.931 -3.722 -19.715 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.537 -3.032 -19.597 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.248 -1.909 -21.262 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.773 -1.299 -19.705 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.841 -0.208 -19.525 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.632 0.458 -20.958 1.00 0.00 H new ATOM 147 N ALA A 31 8.010 -6.245 -20.445 1.00 0.00 N ATOM 148 CA ALA A 31 8.457 -7.511 -19.823 1.00 0.00 C ATOM 149 C ALA A 31 9.181 -8.433 -20.825 1.00 0.00 C ATOM 150 O ALA A 31 9.962 -9.299 -20.418 1.00 0.00 O ATOM 151 CB ALA A 31 7.252 -8.232 -19.193 1.00 0.00 C ATOM 0 H ALA A 31 6.996 -6.134 -20.441 1.00 0.00 H new ATOM 0 HA ALA A 31 9.181 -7.263 -19.046 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.584 -9.164 -18.736 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.803 -7.594 -18.432 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.514 -8.449 -19.965 1.00 0.00 H new ATOM 157 N ALA A 32 8.906 -8.215 -22.133 1.00 0.00 N ATOM 158 CA ALA A 32 9.467 -9.007 -23.245 1.00 0.00 C ATOM 159 C ALA A 32 11.011 -9.042 -23.220 1.00 0.00 C ATOM 160 O ALA A 32 11.616 -10.122 -23.209 1.00 0.00 O ATOM 161 CB ALA A 32 8.976 -8.431 -24.586 1.00 0.00 C ATOM 0 H ALA A 32 8.279 -7.473 -22.446 1.00 0.00 H new ATOM 0 HA ALA A 32 9.119 -10.033 -23.128 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.391 -9.016 -25.407 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.887 -8.474 -24.624 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.302 -7.395 -24.678 1.00 0.00 H new ATOM 167 N ALA A 33 11.637 -7.851 -23.182 1.00 0.00 N ATOM 168 CA ALA A 33 13.109 -7.713 -23.247 1.00 0.00 C ATOM 169 C ALA A 33 13.735 -7.590 -21.847 1.00 0.00 C ATOM 170 O ALA A 33 14.918 -7.907 -21.673 1.00 0.00 O ATOM 171 CB ALA A 33 13.499 -6.514 -24.135 1.00 0.00 C ATOM 0 H ALA A 33 11.143 -6.962 -23.106 1.00 0.00 H new ATOM 0 HA ALA A 33 13.508 -8.622 -23.697 1.00 0.00 H new ATOM 0 HB1 ALA A 33 14.585 -6.427 -24.172 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.113 -6.667 -25.143 1.00 0.00 H new ATOM 0 HB3 ALA A 33 13.076 -5.600 -23.719 1.00 0.00 H new ATOM 177 N LEU A 34 12.945 -7.153 -20.845 1.00 0.00 N ATOM 178 CA LEU A 34 13.451 -6.956 -19.470 1.00 0.00 C ATOM 179 C LEU A 34 13.566 -8.307 -18.744 1.00 0.00 C ATOM 180 O LEU A 34 12.644 -9.134 -18.786 1.00 0.00 O ATOM 181 CB LEU A 34 12.538 -5.984 -18.666 1.00 0.00 C ATOM 182 CG LEU A 34 12.500 -4.506 -19.169 1.00 0.00 C ATOM 183 CD1 LEU A 34 11.449 -3.670 -18.398 1.00 0.00 C ATOM 184 CD2 LEU A 34 13.907 -3.854 -19.113 1.00 0.00 C ATOM 0 H LEU A 34 11.956 -6.930 -20.961 1.00 0.00 H new ATOM 0 HA LEU A 34 14.442 -6.506 -19.538 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.522 -6.378 -18.679 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.867 -5.985 -17.627 1.00 0.00 H new ATOM 0 HG LEU A 34 12.192 -4.523 -20.214 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.450 -2.647 -18.774 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.461 -4.108 -18.540 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.695 -3.666 -17.336 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.846 -2.826 -19.470 1.00 0.00 H new ATOM 0 HD22 LEU A 34 14.270 -3.861 -18.085 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.594 -4.417 -19.745 1.00 0.00 H new ATOM 196 N LYS A 35 14.720 -8.512 -18.098 1.00 0.00 N ATOM 197 CA LYS A 35 15.020 -9.698 -17.295 1.00 0.00 C ATOM 198 C LYS A 35 14.512 -9.485 -15.848 1.00 0.00 C ATOM 199 O LYS A 35 14.851 -8.469 -15.225 1.00 0.00 O ATOM 200 CB LYS A 35 16.555 -9.963 -17.298 1.00 0.00 C ATOM 201 CG LYS A 35 17.018 -11.150 -16.414 1.00 0.00 C ATOM 202 CD LYS A 35 18.563 -11.290 -16.351 1.00 0.00 C ATOM 203 CE LYS A 35 19.185 -11.733 -17.689 1.00 0.00 C ATOM 204 NZ LYS A 35 18.781 -13.113 -18.059 1.00 0.00 N ATOM 0 H LYS A 35 15.488 -7.841 -18.121 1.00 0.00 H new ATOM 0 HA LYS A 35 14.516 -10.565 -17.723 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.874 -10.147 -18.324 1.00 0.00 H new ATOM 0 HB3 LYS A 35 17.065 -9.060 -16.963 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.629 -11.018 -15.404 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.590 -12.074 -16.802 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.997 -10.335 -16.054 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.825 -12.013 -15.578 1.00 0.00 H new ATOM 0 HE2 LYS A 35 18.882 -11.043 -18.476 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.271 -11.679 -17.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 19.312 -13.416 -18.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 18.986 -13.758 -17.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.762 -13.133 -18.267 1.00 0.00 H new ATOM 218 N PRO A 36 13.668 -10.411 -15.302 1.00 0.00 N ATOM 219 CA PRO A 36 13.294 -10.415 -13.868 1.00 0.00 C ATOM 220 C PRO A 36 14.411 -11.023 -12.998 1.00 0.00 C ATOM 221 O PRO A 36 15.344 -11.654 -13.520 1.00 0.00 O ATOM 222 CB PRO A 36 12.037 -11.305 -13.857 1.00 0.00 C ATOM 223 CG PRO A 36 12.295 -12.295 -14.951 1.00 0.00 C ATOM 224 CD PRO A 36 12.999 -11.518 -16.041 1.00 0.00 C ATOM 0 HA PRO A 36 13.128 -9.418 -13.461 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.903 -11.798 -12.894 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.134 -10.725 -14.046 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.912 -13.120 -14.596 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.364 -12.728 -15.316 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.720 -12.138 -16.574 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.295 -11.138 -16.782 1.00 0.00 H new ATOM 232 N TYR A 37 14.323 -10.833 -11.675 1.00 0.00 N ATOM 233 CA TYR A 37 15.317 -11.390 -10.737 1.00 0.00 C ATOM 234 C TYR A 37 14.867 -12.759 -10.196 1.00 0.00 C ATOM 235 O TYR A 37 15.712 -13.595 -9.850 1.00 0.00 O ATOM 236 CB TYR A 37 15.645 -10.388 -9.588 1.00 0.00 C ATOM 237 CG TYR A 37 14.486 -10.002 -8.639 1.00 0.00 C ATOM 238 CD1 TYR A 37 13.621 -8.951 -8.942 1.00 0.00 C ATOM 239 CD2 TYR A 37 14.279 -10.672 -7.423 1.00 0.00 C ATOM 240 CE1 TYR A 37 12.607 -8.579 -8.076 1.00 0.00 C ATOM 241 CE2 TYR A 37 13.262 -10.305 -6.563 1.00 0.00 C ATOM 242 CZ TYR A 37 12.433 -9.260 -6.890 1.00 0.00 C ATOM 243 OH TYR A 37 11.421 -8.895 -6.032 1.00 0.00 O ATOM 0 H TYR A 37 13.577 -10.300 -11.227 1.00 0.00 H new ATOM 0 HA TYR A 37 16.242 -11.550 -11.291 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.448 -10.814 -8.986 1.00 0.00 H new ATOM 0 HB3 TYR A 37 16.034 -9.474 -10.037 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.745 -8.416 -9.872 1.00 0.00 H new ATOM 0 HD2 TYR A 37 14.929 -11.492 -7.154 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.954 -7.757 -8.329 1.00 0.00 H new ATOM 0 HE2 TYR A 37 13.119 -10.839 -5.635 1.00 0.00 H new ATOM 0 HH TYR A 37 11.802 -8.647 -5.164 1.00 0.00 H new ATOM 253 N ASP A 38 13.534 -12.996 -10.165 1.00 0.00 N ATOM 254 CA ASP A 38 12.952 -14.224 -9.570 1.00 0.00 C ATOM 255 C ASP A 38 11.469 -14.384 -10.009 1.00 0.00 C ATOM 256 O ASP A 38 11.003 -13.664 -10.902 1.00 0.00 O ATOM 257 CB ASP A 38 13.101 -14.151 -8.011 1.00 0.00 C ATOM 258 CG ASP A 38 13.113 -15.531 -7.334 1.00 0.00 C ATOM 259 OD1 ASP A 38 14.161 -16.200 -7.352 1.00 0.00 O ATOM 260 OD2 ASP A 38 12.077 -15.958 -6.792 1.00 0.00 O ATOM 0 H ASP A 38 12.840 -12.352 -10.545 1.00 0.00 H new ATOM 0 HA ASP A 38 13.485 -15.106 -9.925 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.024 -13.626 -7.766 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.281 -13.561 -7.602 1.00 0.00 H new ATOM 265 N ARG A 39 10.750 -15.353 -9.397 1.00 0.00 N ATOM 266 CA ARG A 39 9.298 -15.583 -9.592 1.00 0.00 C ATOM 267 C ARG A 39 8.627 -15.880 -8.241 1.00 0.00 C ATOM 268 O ARG A 39 9.169 -16.618 -7.413 1.00 0.00 O ATOM 269 CB ARG A 39 9.056 -16.769 -10.574 1.00 0.00 C ATOM 270 CG ARG A 39 9.191 -16.402 -12.066 1.00 0.00 C ATOM 271 CD ARG A 39 9.503 -17.607 -12.969 1.00 0.00 C ATOM 272 NE ARG A 39 10.840 -18.161 -12.676 1.00 0.00 N ATOM 273 CZ ARG A 39 12.014 -17.585 -13.011 1.00 0.00 C ATOM 274 NH1 ARG A 39 12.056 -16.431 -13.670 1.00 0.00 N ATOM 275 NH2 ARG A 39 13.149 -18.167 -12.667 1.00 0.00 N ATOM 0 H ARG A 39 11.171 -16.011 -8.740 1.00 0.00 H new ATOM 0 HA ARG A 39 8.861 -14.681 -10.021 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.764 -17.565 -10.343 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.057 -17.170 -10.400 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.265 -15.936 -12.403 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.981 -15.659 -12.179 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.747 -18.379 -12.824 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.453 -17.304 -14.015 1.00 0.00 H new ATOM 0 HE ARG A 39 10.880 -19.051 -12.180 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.189 -15.962 -13.933 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.955 -16.015 -13.912 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.135 -19.047 -12.151 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.039 -17.737 -12.917 1.00 0.00 H new ATOM 289 N ILE A 40 7.444 -15.291 -8.037 1.00 0.00 N ATOM 290 CA ILE A 40 6.571 -15.576 -6.883 1.00 0.00 C ATOM 291 C ILE A 40 5.414 -16.491 -7.330 1.00 0.00 C ATOM 292 O ILE A 40 4.924 -16.370 -8.462 1.00 0.00 O ATOM 293 CB ILE A 40 6.008 -14.244 -6.259 1.00 0.00 C ATOM 294 CG1 ILE A 40 5.221 -13.419 -7.330 1.00 0.00 C ATOM 295 CG2 ILE A 40 7.148 -13.402 -5.629 1.00 0.00 C ATOM 296 CD1 ILE A 40 4.631 -12.121 -6.831 1.00 0.00 C ATOM 0 H ILE A 40 7.057 -14.594 -8.674 1.00 0.00 H new ATOM 0 HA ILE A 40 7.157 -16.081 -6.115 1.00 0.00 H new ATOM 0 HB ILE A 40 5.312 -14.509 -5.463 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.891 -13.200 -8.162 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.416 -14.039 -7.724 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.733 -12.487 -5.205 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.634 -13.979 -4.842 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.879 -13.147 -6.396 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.106 -11.623 -7.646 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.931 -12.327 -6.021 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.429 -11.475 -6.466 1.00 0.00 H new ATOM 308 N VAL A 41 4.991 -17.413 -6.450 1.00 0.00 N ATOM 309 CA VAL A 41 3.889 -18.352 -6.735 1.00 0.00 C ATOM 310 C VAL A 41 2.893 -18.342 -5.567 1.00 0.00 C ATOM 311 O VAL A 41 3.251 -18.707 -4.442 1.00 0.00 O ATOM 312 CB VAL A 41 4.391 -19.832 -6.970 1.00 0.00 C ATOM 313 CG1 VAL A 41 3.207 -20.763 -7.352 1.00 0.00 C ATOM 314 CG2 VAL A 41 5.518 -19.894 -8.034 1.00 0.00 C ATOM 0 H VAL A 41 5.401 -17.530 -5.523 1.00 0.00 H new ATOM 0 HA VAL A 41 3.413 -18.016 -7.656 1.00 0.00 H new ATOM 0 HB VAL A 41 4.814 -20.189 -6.031 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.577 -21.776 -7.509 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.472 -20.766 -6.547 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.741 -20.401 -8.268 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.836 -20.928 -8.167 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.146 -19.504 -8.981 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.365 -19.294 -7.702 1.00 0.00 H new ATOM 324 N ILE A 42 1.662 -17.891 -5.834 1.00 0.00 N ATOM 325 CA ILE A 42 0.527 -17.990 -4.889 1.00 0.00 C ATOM 326 C ILE A 42 -0.388 -19.146 -5.335 1.00 0.00 C ATOM 327 O ILE A 42 -0.359 -19.529 -6.504 1.00 0.00 O ATOM 328 CB ILE A 42 -0.295 -16.645 -4.822 1.00 0.00 C ATOM 329 CG1 ILE A 42 -0.911 -16.292 -6.216 1.00 0.00 C ATOM 330 CG2 ILE A 42 0.587 -15.484 -4.287 1.00 0.00 C ATOM 331 CD1 ILE A 42 -1.829 -15.088 -6.221 1.00 0.00 C ATOM 0 H ILE A 42 1.416 -17.443 -6.717 1.00 0.00 H new ATOM 0 HA ILE A 42 0.920 -18.180 -3.890 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.119 -16.788 -4.123 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.099 -16.114 -6.921 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.467 -17.156 -6.581 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.002 -14.567 -4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.942 -15.728 -3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.441 -15.340 -4.949 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.206 -14.922 -7.230 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.666 -15.266 -5.545 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.277 -14.208 -5.891 1.00 0.00 H new ATOM 343 N THR A 43 -1.176 -19.712 -4.402 1.00 0.00 N ATOM 344 CA THR A 43 -2.121 -20.820 -4.688 1.00 0.00 C ATOM 345 C THR A 43 -3.354 -20.687 -3.776 1.00 0.00 C ATOM 346 O THR A 43 -3.219 -20.232 -2.630 1.00 0.00 O ATOM 347 CB THR A 43 -1.437 -22.220 -4.450 1.00 0.00 C ATOM 348 OG1 THR A 43 -0.201 -22.299 -5.178 1.00 0.00 O ATOM 349 CG2 THR A 43 -2.340 -23.403 -4.879 1.00 0.00 C ATOM 0 H THR A 43 -1.179 -19.417 -3.426 1.00 0.00 H new ATOM 0 HA THR A 43 -2.422 -20.758 -5.734 1.00 0.00 H new ATOM 0 HB THR A 43 -1.257 -22.300 -3.378 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.216 -23.172 -5.021 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.821 -24.343 -4.694 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.266 -23.381 -4.305 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.570 -23.319 -5.941 1.00 0.00 H new ATOM 357 N GLY A 44 -4.549 -21.076 -4.278 1.00 0.00 N ATOM 358 CA GLY A 44 -5.770 -21.037 -3.472 1.00 0.00 C ATOM 359 C GLY A 44 -6.985 -21.669 -4.143 1.00 0.00 C ATOM 360 O GLY A 44 -7.049 -21.757 -5.374 1.00 0.00 O ATOM 0 H GLY A 44 -4.683 -21.416 -5.230 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.584 -21.548 -2.527 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.001 -19.999 -3.233 1.00 0.00 H new ATOM 364 N ARG A 45 -7.954 -22.096 -3.302 1.00 0.00 N ATOM 365 CA ARG A 45 -9.236 -22.672 -3.736 1.00 0.00 C ATOM 366 C ARG A 45 -10.302 -21.566 -3.840 1.00 0.00 C ATOM 367 O ARG A 45 -10.436 -20.746 -2.920 1.00 0.00 O ATOM 368 CB ARG A 45 -9.717 -23.752 -2.728 1.00 0.00 C ATOM 369 CG ARG A 45 -8.741 -24.930 -2.525 1.00 0.00 C ATOM 370 CD ARG A 45 -9.306 -26.016 -1.590 1.00 0.00 C ATOM 371 NE ARG A 45 -10.594 -26.556 -2.089 1.00 0.00 N ATOM 372 CZ ARG A 45 -10.749 -27.696 -2.787 1.00 0.00 C ATOM 373 NH1 ARG A 45 -9.701 -28.452 -3.092 1.00 0.00 N ATOM 374 NH2 ARG A 45 -11.956 -28.064 -3.199 1.00 0.00 N ATOM 0 H ARG A 45 -7.860 -22.047 -2.287 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.091 -23.134 -4.712 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.894 -23.275 -1.764 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.674 -24.146 -3.069 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.508 -25.375 -3.493 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.804 -24.554 -2.114 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.584 -26.827 -1.496 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.448 -25.599 -0.593 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.435 -26.016 -1.885 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.766 -28.171 -2.797 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.831 -29.314 -3.622 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.767 -27.483 -2.987 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.073 -28.928 -3.728 1.00 0.00 H new ATOM 388 N PHE A 46 -11.037 -21.561 -4.966 1.00 0.00 N ATOM 389 CA PHE A 46 -12.144 -20.613 -5.248 1.00 0.00 C ATOM 390 C PHE A 46 -11.658 -19.128 -5.257 1.00 0.00 C ATOM 391 O PHE A 46 -12.444 -18.187 -5.073 1.00 0.00 O ATOM 392 CB PHE A 46 -13.334 -20.857 -4.255 1.00 0.00 C ATOM 393 CG PHE A 46 -14.632 -20.140 -4.643 1.00 0.00 C ATOM 394 CD1 PHE A 46 -15.277 -20.446 -5.842 1.00 0.00 C ATOM 395 CD2 PHE A 46 -15.180 -19.138 -3.838 1.00 0.00 C ATOM 396 CE1 PHE A 46 -16.428 -19.782 -6.216 1.00 0.00 C ATOM 397 CE2 PHE A 46 -16.329 -18.470 -4.218 1.00 0.00 C ATOM 398 CZ PHE A 46 -16.953 -18.792 -5.407 1.00 0.00 C ATOM 0 H PHE A 46 -10.880 -22.226 -5.723 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.512 -20.806 -6.256 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -13.528 -21.928 -4.194 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -13.035 -20.530 -3.259 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -14.870 -21.212 -6.486 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -14.699 -18.882 -2.906 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -16.920 -20.037 -7.143 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -16.739 -17.697 -3.585 1.00 0.00 H new ATOM 0 HZ PHE A 46 -17.851 -18.271 -5.705 1.00 0.00 H new ATOM 408 N ASN A 47 -10.351 -18.927 -5.499 1.00 0.00 N ATOM 409 CA ASN A 47 -9.763 -17.586 -5.646 1.00 0.00 C ATOM 410 C ASN A 47 -10.159 -17.028 -7.012 1.00 0.00 C ATOM 411 O ASN A 47 -9.836 -17.625 -8.035 1.00 0.00 O ATOM 412 CB ASN A 47 -8.209 -17.634 -5.506 1.00 0.00 C ATOM 413 CG ASN A 47 -7.684 -17.895 -4.080 1.00 0.00 C ATOM 414 OD1 ASN A 47 -6.609 -17.418 -3.710 1.00 0.00 O ATOM 415 ND2 ASN A 47 -8.412 -18.658 -3.268 1.00 0.00 N ATOM 0 H ASN A 47 -9.676 -19.686 -5.598 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.141 -16.938 -4.855 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -7.825 -18.413 -6.165 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -7.799 -16.687 -5.859 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -8.083 -18.856 -2.323 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -9.299 -19.044 -3.591 1.00 0.00 H new ATOM 422 N ALA A 48 -10.913 -15.926 -7.023 1.00 0.00 N ATOM 423 CA ALA A 48 -11.257 -15.227 -8.269 1.00 0.00 C ATOM 424 C ALA A 48 -10.007 -14.525 -8.824 1.00 0.00 C ATOM 425 O ALA A 48 -9.052 -14.279 -8.073 1.00 0.00 O ATOM 426 CB ALA A 48 -12.401 -14.233 -8.034 1.00 0.00 C ATOM 0 H ALA A 48 -11.299 -15.496 -6.182 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.604 -15.951 -9.006 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.640 -13.726 -8.969 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.280 -14.768 -7.676 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -12.096 -13.497 -7.290 1.00 0.00 H new ATOM 432 N ILE A 49 -10.015 -14.216 -10.136 1.00 0.00 N ATOM 433 CA ILE A 49 -8.867 -13.564 -10.810 1.00 0.00 C ATOM 434 C ILE A 49 -8.514 -12.216 -10.130 1.00 0.00 C ATOM 435 O ILE A 49 -7.339 -11.876 -10.011 1.00 0.00 O ATOM 436 CB ILE A 49 -9.113 -13.368 -12.359 1.00 0.00 C ATOM 437 CG1 ILE A 49 -7.854 -12.760 -13.082 1.00 0.00 C ATOM 438 CG2 ILE A 49 -10.379 -12.517 -12.633 1.00 0.00 C ATOM 439 CD1 ILE A 49 -6.584 -13.604 -13.006 1.00 0.00 C ATOM 0 H ILE A 49 -10.804 -14.407 -10.754 1.00 0.00 H new ATOM 0 HA ILE A 49 -8.015 -14.236 -10.705 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.282 -14.359 -12.779 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.101 -12.600 -14.131 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.646 -11.781 -12.650 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -10.516 -12.404 -13.708 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.251 -13.014 -12.207 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -10.262 -11.534 -12.177 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.777 -13.096 -13.535 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.302 -13.744 -11.962 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.765 -14.575 -13.467 1.00 0.00 H new ATOM 451 N GLY A 50 -9.543 -11.511 -9.618 1.00 0.00 N ATOM 452 CA GLY A 50 -9.357 -10.264 -8.866 1.00 0.00 C ATOM 453 C GLY A 50 -8.551 -10.458 -7.579 1.00 0.00 C ATOM 454 O GLY A 50 -7.630 -9.683 -7.295 1.00 0.00 O ATOM 0 H GLY A 50 -10.519 -11.792 -9.716 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -8.850 -9.536 -9.500 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.333 -9.846 -8.618 1.00 0.00 H new ATOM 458 N ASP A 51 -8.897 -11.525 -6.824 1.00 0.00 N ATOM 459 CA ASP A 51 -8.201 -11.907 -5.568 1.00 0.00 C ATOM 460 C ASP A 51 -6.756 -12.334 -5.855 1.00 0.00 C ATOM 461 O ASP A 51 -5.831 -11.997 -5.102 1.00 0.00 O ATOM 462 CB ASP A 51 -8.933 -13.074 -4.849 1.00 0.00 C ATOM 463 CG ASP A 51 -10.360 -12.707 -4.432 1.00 0.00 C ATOM 464 OD1 ASP A 51 -10.536 -12.044 -3.391 1.00 0.00 O ATOM 465 OD2 ASP A 51 -11.315 -13.042 -5.163 1.00 0.00 O ATOM 0 H ASP A 51 -9.667 -12.148 -7.066 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.204 -11.030 -4.921 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.963 -13.941 -5.509 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.364 -13.366 -3.966 1.00 0.00 H new ATOM 470 N ALA A 52 -6.590 -13.071 -6.972 1.00 0.00 N ATOM 471 CA ALA A 52 -5.299 -13.616 -7.423 1.00 0.00 C ATOM 472 C ALA A 52 -4.328 -12.477 -7.775 1.00 0.00 C ATOM 473 O ALA A 52 -3.186 -12.470 -7.316 1.00 0.00 O ATOM 474 CB ALA A 52 -5.505 -14.556 -8.629 1.00 0.00 C ATOM 0 H ALA A 52 -7.363 -13.306 -7.594 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.861 -14.195 -6.610 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.542 -14.951 -8.951 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.157 -15.380 -8.341 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.962 -14.002 -9.449 1.00 0.00 H new ATOM 480 N VAL A 53 -4.816 -11.494 -8.557 1.00 0.00 N ATOM 481 CA VAL A 53 -4.011 -10.330 -8.973 1.00 0.00 C ATOM 482 C VAL A 53 -3.678 -9.436 -7.762 1.00 0.00 C ATOM 483 O VAL A 53 -2.562 -8.937 -7.655 1.00 0.00 O ATOM 484 CB VAL A 53 -4.706 -9.494 -10.115 1.00 0.00 C ATOM 485 CG1 VAL A 53 -3.881 -8.229 -10.488 1.00 0.00 C ATOM 486 CG2 VAL A 53 -4.943 -10.378 -11.366 1.00 0.00 C ATOM 0 H VAL A 53 -5.771 -11.484 -8.915 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.080 -10.718 -9.388 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.670 -9.155 -9.735 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.393 -7.680 -11.278 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.778 -7.590 -9.611 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.893 -8.529 -10.837 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.423 -9.785 -12.145 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.988 -10.753 -11.733 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.585 -11.218 -11.101 1.00 0.00 H new ATOM 496 N SER A 54 -4.642 -9.297 -6.830 1.00 0.00 N ATOM 497 CA SER A 54 -4.454 -8.502 -5.598 1.00 0.00 C ATOM 498 C SER A 54 -3.354 -9.119 -4.705 1.00 0.00 C ATOM 499 O SER A 54 -2.501 -8.401 -4.166 1.00 0.00 O ATOM 500 CB SER A 54 -5.784 -8.380 -4.821 1.00 0.00 C ATOM 501 OG SER A 54 -5.632 -7.573 -3.660 1.00 0.00 O ATOM 0 H SER A 54 -5.564 -9.727 -6.907 1.00 0.00 H new ATOM 0 HA SER A 54 -4.132 -7.501 -5.886 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.548 -7.949 -5.468 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.132 -9.372 -4.534 1.00 0.00 H new ATOM 0 HG SER A 54 -6.489 -7.512 -3.189 1.00 0.00 H new ATOM 507 N ALA A 55 -3.364 -10.458 -4.593 1.00 0.00 N ATOM 508 CA ALA A 55 -2.406 -11.201 -3.757 1.00 0.00 C ATOM 509 C ALA A 55 -0.995 -11.167 -4.376 1.00 0.00 C ATOM 510 O ALA A 55 -0.017 -10.903 -3.678 1.00 0.00 O ATOM 511 CB ALA A 55 -2.891 -12.646 -3.568 1.00 0.00 C ATOM 0 H ALA A 55 -4.034 -11.054 -5.078 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.347 -10.722 -2.779 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.178 -13.191 -2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.866 -12.642 -3.081 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.973 -13.132 -4.540 1.00 0.00 H new ATOM 517 N VAL A 56 -0.919 -11.387 -5.704 1.00 0.00 N ATOM 518 CA VAL A 56 0.362 -11.509 -6.429 1.00 0.00 C ATOM 519 C VAL A 56 1.036 -10.124 -6.611 1.00 0.00 C ATOM 520 O VAL A 56 2.263 -10.031 -6.661 1.00 0.00 O ATOM 521 CB VAL A 56 0.166 -12.242 -7.822 1.00 0.00 C ATOM 522 CG1 VAL A 56 -0.493 -11.333 -8.882 1.00 0.00 C ATOM 523 CG2 VAL A 56 1.486 -12.855 -8.343 1.00 0.00 C ATOM 0 H VAL A 56 -1.740 -11.485 -6.302 1.00 0.00 H new ATOM 0 HA VAL A 56 1.028 -12.124 -5.824 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.526 -13.064 -7.639 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.604 -11.884 -9.816 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.474 -11.015 -8.530 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.133 -10.457 -9.050 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.306 -13.347 -9.299 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.227 -12.066 -8.474 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.857 -13.585 -7.623 1.00 0.00 H new ATOM 533 N SER A 57 0.218 -9.047 -6.681 1.00 0.00 N ATOM 534 CA SER A 57 0.728 -7.666 -6.825 1.00 0.00 C ATOM 535 C SER A 57 1.402 -7.213 -5.527 1.00 0.00 C ATOM 536 O SER A 57 2.548 -6.740 -5.549 1.00 0.00 O ATOM 537 CB SER A 57 -0.407 -6.687 -7.213 1.00 0.00 C ATOM 538 OG SER A 57 -1.458 -6.703 -6.262 1.00 0.00 O ATOM 0 H SER A 57 -0.799 -9.110 -6.640 1.00 0.00 H new ATOM 0 HA SER A 57 1.465 -7.660 -7.628 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.005 -5.677 -7.295 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.799 -6.954 -8.194 1.00 0.00 H new ATOM 0 HG SER A 57 -2.072 -7.439 -6.465 1.00 0.00 H new ATOM 544 N ARG A 58 0.691 -7.397 -4.387 1.00 0.00 N ATOM 545 CA ARG A 58 1.220 -7.029 -3.070 1.00 0.00 C ATOM 546 C ARG A 58 2.461 -7.871 -2.744 1.00 0.00 C ATOM 547 O ARG A 58 3.460 -7.323 -2.311 1.00 0.00 O ATOM 548 CB ARG A 58 0.169 -7.165 -1.934 1.00 0.00 C ATOM 549 CG ARG A 58 0.729 -6.712 -0.565 1.00 0.00 C ATOM 550 CD ARG A 58 -0.257 -6.816 0.603 1.00 0.00 C ATOM 551 NE ARG A 58 0.383 -6.386 1.867 1.00 0.00 N ATOM 552 CZ ARG A 58 -0.226 -6.294 3.060 1.00 0.00 C ATOM 553 NH1 ARG A 58 -1.505 -6.612 3.195 1.00 0.00 N ATOM 554 NH2 ARG A 58 0.455 -5.869 4.112 1.00 0.00 N ATOM 0 H ARG A 58 -0.247 -7.798 -4.363 1.00 0.00 H new ATOM 0 HA ARG A 58 1.492 -5.975 -3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.710 -6.569 -2.181 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.158 -8.203 -1.866 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.609 -7.312 -0.333 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.061 -5.677 -0.649 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.132 -6.197 0.403 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.609 -7.843 0.699 1.00 0.00 H new ATOM 0 HE ARG A 58 1.372 -6.138 1.828 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.039 -6.931 2.387 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.955 -6.538 4.107 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.438 -5.613 4.014 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.003 -5.797 5.021 1.00 0.00 H new ATOM 568 N ARG A 59 2.388 -9.192 -3.016 1.00 0.00 N ATOM 569 CA ARG A 59 3.501 -10.144 -2.780 1.00 0.00 C ATOM 570 C ARG A 59 4.776 -9.723 -3.542 1.00 0.00 C ATOM 571 O ARG A 59 5.869 -9.772 -2.977 1.00 0.00 O ATOM 572 CB ARG A 59 3.064 -11.596 -3.137 1.00 0.00 C ATOM 573 CG ARG A 59 4.186 -12.675 -3.162 1.00 0.00 C ATOM 574 CD ARG A 59 5.039 -12.748 -1.876 1.00 0.00 C ATOM 575 NE ARG A 59 4.236 -12.987 -0.665 1.00 0.00 N ATOM 576 CZ ARG A 59 4.642 -12.725 0.584 1.00 0.00 C ATOM 577 NH1 ARG A 59 5.815 -12.147 0.816 1.00 0.00 N ATOM 578 NH2 ARG A 59 3.861 -13.035 1.598 1.00 0.00 N ATOM 0 H ARG A 59 1.555 -9.632 -3.406 1.00 0.00 H new ATOM 0 HA ARG A 59 3.748 -10.123 -1.718 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.306 -11.910 -2.420 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.587 -11.577 -4.117 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.730 -13.650 -3.335 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.844 -12.476 -4.008 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.775 -13.545 -1.980 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.592 -11.816 -1.760 1.00 0.00 H new ATOM 0 HE ARG A 59 3.303 -13.381 -0.786 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.423 -11.895 0.036 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.108 -11.955 1.774 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.955 -13.471 1.429 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.162 -12.839 2.552 1.00 0.00 H new ATOM 592 N ALA A 60 4.614 -9.277 -4.799 1.00 0.00 N ATOM 593 CA ALA A 60 5.734 -8.756 -5.616 1.00 0.00 C ATOM 594 C ALA A 60 6.404 -7.559 -4.908 1.00 0.00 C ATOM 595 O ALA A 60 7.624 -7.517 -4.745 1.00 0.00 O ATOM 596 CB ALA A 60 5.222 -8.363 -7.007 1.00 0.00 C ATOM 0 H ALA A 60 3.714 -9.265 -5.278 1.00 0.00 H new ATOM 0 HA ALA A 60 6.486 -9.536 -5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.049 -7.980 -7.605 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.794 -9.237 -7.498 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.458 -7.592 -6.909 1.00 0.00 H new ATOM 602 N ASP A 61 5.558 -6.637 -4.422 1.00 0.00 N ATOM 603 CA ASP A 61 5.990 -5.428 -3.684 1.00 0.00 C ATOM 604 C ASP A 61 6.634 -5.800 -2.322 1.00 0.00 C ATOM 605 O ASP A 61 7.536 -5.102 -1.846 1.00 0.00 O ATOM 606 CB ASP A 61 4.770 -4.494 -3.477 1.00 0.00 C ATOM 607 CG ASP A 61 5.122 -3.136 -2.843 1.00 0.00 C ATOM 608 OD1 ASP A 61 5.409 -2.172 -3.585 1.00 0.00 O ATOM 609 OD2 ASP A 61 5.074 -3.011 -1.593 1.00 0.00 O ATOM 0 H ASP A 61 4.546 -6.705 -4.528 1.00 0.00 H new ATOM 0 HA ASP A 61 6.749 -4.909 -4.270 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.291 -4.320 -4.440 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.041 -5.000 -2.845 1.00 0.00 H new ATOM 614 N GLU A 62 6.170 -6.918 -1.712 1.00 0.00 N ATOM 615 CA GLU A 62 6.719 -7.438 -0.442 1.00 0.00 C ATOM 616 C GLU A 62 8.137 -7.988 -0.671 1.00 0.00 C ATOM 617 O GLU A 62 8.983 -7.924 0.217 1.00 0.00 O ATOM 618 CB GLU A 62 5.821 -8.557 0.166 1.00 0.00 C ATOM 619 CG GLU A 62 4.386 -8.139 0.571 1.00 0.00 C ATOM 620 CD GLU A 62 4.311 -6.953 1.553 1.00 0.00 C ATOM 621 OE1 GLU A 62 5.053 -6.949 2.556 1.00 0.00 O ATOM 622 OE2 GLU A 62 3.494 -6.030 1.350 1.00 0.00 O ATOM 0 H GLU A 62 5.407 -7.481 -2.088 1.00 0.00 H new ATOM 0 HA GLU A 62 6.749 -6.609 0.265 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.750 -9.369 -0.557 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.322 -8.958 1.047 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.830 -7.882 -0.330 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.886 -8.997 1.021 1.00 0.00 H new ATOM 629 N GLU A 63 8.389 -8.515 -1.883 1.00 0.00 N ATOM 630 CA GLU A 63 9.729 -8.990 -2.288 1.00 0.00 C ATOM 631 C GLU A 63 10.611 -7.824 -2.772 1.00 0.00 C ATOM 632 O GLU A 63 11.767 -8.035 -3.147 1.00 0.00 O ATOM 633 CB GLU A 63 9.613 -10.095 -3.377 1.00 0.00 C ATOM 634 CG GLU A 63 8.688 -11.275 -2.998 1.00 0.00 C ATOM 635 CD GLU A 63 8.980 -11.885 -1.612 1.00 0.00 C ATOM 636 OE1 GLU A 63 9.939 -12.675 -1.483 1.00 0.00 O ATOM 637 OE2 GLU A 63 8.264 -11.561 -0.629 1.00 0.00 O ATOM 0 H GLU A 63 7.677 -8.624 -2.606 1.00 0.00 H new ATOM 0 HA GLU A 63 10.212 -9.425 -1.413 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.245 -9.643 -4.298 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.609 -10.484 -3.589 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.653 -10.933 -3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.784 -12.055 -3.754 1.00 0.00 H new ATOM 644 N GLY A 64 10.054 -6.592 -2.745 1.00 0.00 N ATOM 645 CA GLY A 64 10.790 -5.371 -3.089 1.00 0.00 C ATOM 646 C GLY A 64 10.713 -5.012 -4.569 1.00 0.00 C ATOM 647 O GLY A 64 11.363 -4.056 -5.012 1.00 0.00 O ATOM 0 H GLY A 64 9.082 -6.425 -2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.397 -4.541 -2.501 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.836 -5.495 -2.807 1.00 0.00 H new ATOM 651 N ALA A 65 9.913 -5.779 -5.333 1.00 0.00 N ATOM 652 CA ALA A 65 9.727 -5.576 -6.778 1.00 0.00 C ATOM 653 C ALA A 65 8.787 -4.391 -7.048 1.00 0.00 C ATOM 654 O ALA A 65 7.741 -4.254 -6.403 1.00 0.00 O ATOM 655 CB ALA A 65 9.190 -6.858 -7.444 1.00 0.00 C ATOM 0 H ALA A 65 9.375 -6.561 -4.960 1.00 0.00 H new ATOM 0 HA ALA A 65 10.699 -5.345 -7.214 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.060 -6.686 -8.512 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.899 -7.672 -7.291 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.231 -7.124 -7.000 1.00 0.00 H new ATOM 661 N ALA A 66 9.187 -3.547 -8.007 1.00 0.00 N ATOM 662 CA ALA A 66 8.397 -2.394 -8.486 1.00 0.00 C ATOM 663 C ALA A 66 7.264 -2.855 -9.422 1.00 0.00 C ATOM 664 O ALA A 66 6.231 -2.181 -9.560 1.00 0.00 O ATOM 665 CB ALA A 66 9.324 -1.416 -9.228 1.00 0.00 C ATOM 0 H ALA A 66 10.084 -3.643 -8.483 1.00 0.00 H new ATOM 0 HA ALA A 66 7.947 -1.896 -7.627 1.00 0.00 H new ATOM 0 HB1 ALA A 66 8.745 -0.564 -9.583 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.103 -1.068 -8.550 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.782 -1.922 -10.078 1.00 0.00 H new ATOM 671 N SER A 67 7.487 -4.010 -10.078 1.00 0.00 N ATOM 672 CA SER A 67 6.572 -4.586 -11.071 1.00 0.00 C ATOM 673 C SER A 67 6.583 -6.122 -11.020 1.00 0.00 C ATOM 674 O SER A 67 7.401 -6.725 -10.321 1.00 0.00 O ATOM 675 CB SER A 67 6.950 -4.080 -12.490 1.00 0.00 C ATOM 676 OG SER A 67 6.819 -2.669 -12.584 1.00 0.00 O ATOM 0 H SER A 67 8.323 -4.575 -9.927 1.00 0.00 H new ATOM 0 HA SER A 67 5.559 -4.260 -10.835 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.975 -4.369 -12.721 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.310 -4.558 -13.232 1.00 0.00 H new ATOM 0 HG SER A 67 7.065 -2.377 -13.487 1.00 0.00 H new ATOM 682 N PHE A 68 5.635 -6.730 -11.746 1.00 0.00 N ATOM 683 CA PHE A 68 5.559 -8.192 -11.938 1.00 0.00 C ATOM 684 C PHE A 68 4.933 -8.504 -13.308 1.00 0.00 C ATOM 685 O PHE A 68 4.403 -7.610 -13.962 1.00 0.00 O ATOM 686 CB PHE A 68 4.742 -8.873 -10.790 1.00 0.00 C ATOM 687 CG PHE A 68 3.224 -8.619 -10.835 1.00 0.00 C ATOM 688 CD1 PHE A 68 2.674 -7.438 -10.343 1.00 0.00 C ATOM 689 CD2 PHE A 68 2.351 -9.568 -11.384 1.00 0.00 C ATOM 690 CE1 PHE A 68 1.311 -7.214 -10.401 1.00 0.00 C ATOM 691 CE2 PHE A 68 0.990 -9.336 -11.442 1.00 0.00 C ATOM 692 CZ PHE A 68 0.469 -8.164 -10.947 1.00 0.00 C ATOM 0 H PHE A 68 4.891 -6.220 -12.222 1.00 0.00 H new ATOM 0 HA PHE A 68 6.570 -8.598 -11.907 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.917 -9.948 -10.828 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.126 -8.521 -9.833 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.320 -6.688 -9.911 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.748 -10.496 -11.768 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.902 -6.291 -10.017 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.335 -10.076 -11.877 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.596 -7.986 -10.985 1.00 0.00 H new ATOM 702 N TYR A 69 4.974 -9.779 -13.715 1.00 0.00 N ATOM 703 CA TYR A 69 4.320 -10.252 -14.936 1.00 0.00 C ATOM 704 C TYR A 69 3.989 -11.743 -14.795 1.00 0.00 C ATOM 705 O TYR A 69 4.899 -12.574 -14.671 1.00 0.00 O ATOM 706 CB TYR A 69 5.199 -10.018 -16.198 1.00 0.00 C ATOM 707 CG TYR A 69 4.437 -10.299 -17.505 1.00 0.00 C ATOM 708 CD1 TYR A 69 3.613 -9.333 -18.060 1.00 0.00 C ATOM 709 CD2 TYR A 69 4.495 -11.539 -18.147 1.00 0.00 C ATOM 710 CE1 TYR A 69 2.889 -9.580 -19.202 1.00 0.00 C ATOM 711 CE2 TYR A 69 3.778 -11.789 -19.296 1.00 0.00 C ATOM 712 CZ TYR A 69 2.970 -10.808 -19.814 1.00 0.00 C ATOM 713 OH TYR A 69 2.235 -11.058 -20.954 1.00 0.00 O ATOM 0 H TYR A 69 5.464 -10.512 -13.203 1.00 0.00 H new ATOM 0 HA TYR A 69 3.403 -9.678 -15.068 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.556 -8.988 -16.203 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.079 -10.660 -16.149 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.538 -8.366 -17.585 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.116 -12.319 -17.733 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.257 -8.810 -19.618 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.851 -12.749 -19.785 1.00 0.00 H new ATOM 0 HH TYR A 69 2.407 -11.973 -21.260 1.00 0.00 H new ATOM 723 N VAL A 70 2.689 -12.064 -14.844 1.00 0.00 N ATOM 724 CA VAL A 70 2.186 -13.436 -14.744 1.00 0.00 C ATOM 725 C VAL A 70 2.591 -14.249 -15.992 1.00 0.00 C ATOM 726 O VAL A 70 2.072 -14.017 -17.097 1.00 0.00 O ATOM 727 CB VAL A 70 0.623 -13.460 -14.555 1.00 0.00 C ATOM 728 CG1 VAL A 70 0.091 -14.915 -14.431 1.00 0.00 C ATOM 729 CG2 VAL A 70 0.195 -12.589 -13.338 1.00 0.00 C ATOM 0 H VAL A 70 1.951 -11.369 -14.955 1.00 0.00 H new ATOM 0 HA VAL A 70 2.636 -13.895 -13.864 1.00 0.00 H new ATOM 0 HB VAL A 70 0.172 -13.025 -15.447 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.991 -14.897 -14.302 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.339 -15.471 -15.335 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.551 -15.399 -13.569 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.889 -12.623 -13.230 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.662 -12.975 -12.432 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.512 -11.558 -13.499 1.00 0.00 H new ATOM 739 N VAL A 71 3.546 -15.176 -15.804 1.00 0.00 N ATOM 740 CA VAL A 71 4.023 -16.068 -16.868 1.00 0.00 C ATOM 741 C VAL A 71 3.103 -17.285 -16.991 1.00 0.00 C ATOM 742 O VAL A 71 2.708 -17.666 -18.094 1.00 0.00 O ATOM 743 CB VAL A 71 5.512 -16.544 -16.631 1.00 0.00 C ATOM 744 CG1 VAL A 71 5.704 -17.248 -15.257 1.00 0.00 C ATOM 745 CG2 VAL A 71 6.020 -17.431 -17.805 1.00 0.00 C ATOM 0 H VAL A 71 4.008 -15.326 -14.907 1.00 0.00 H new ATOM 0 HA VAL A 71 4.005 -15.497 -17.796 1.00 0.00 H new ATOM 0 HB VAL A 71 6.126 -15.644 -16.605 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.744 -17.554 -15.147 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.442 -16.558 -14.455 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.060 -18.126 -15.205 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.047 -17.741 -17.609 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.386 -18.313 -17.895 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.984 -16.861 -18.734 1.00 0.00 H new ATOM 755 N ASP A 72 2.717 -17.856 -15.837 1.00 0.00 N ATOM 756 CA ASP A 72 2.076 -19.171 -15.772 1.00 0.00 C ATOM 757 C ASP A 72 0.858 -19.122 -14.844 1.00 0.00 C ATOM 758 O ASP A 72 0.945 -18.654 -13.711 1.00 0.00 O ATOM 759 CB ASP A 72 3.099 -20.232 -15.271 1.00 0.00 C ATOM 760 CG ASP A 72 2.534 -21.668 -15.247 1.00 0.00 C ATOM 761 OD1 ASP A 72 2.624 -22.368 -16.275 1.00 0.00 O ATOM 762 OD2 ASP A 72 1.996 -22.099 -14.204 1.00 0.00 O ATOM 0 H ASP A 72 2.843 -17.415 -14.926 1.00 0.00 H new ATOM 0 HA ASP A 72 1.737 -19.452 -16.769 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.980 -20.207 -15.913 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.428 -19.963 -14.267 1.00 0.00 H new ATOM 767 N THR A 73 -0.278 -19.581 -15.368 1.00 0.00 N ATOM 768 CA THR A 73 -1.487 -19.879 -14.595 1.00 0.00 C ATOM 769 C THR A 73 -1.842 -21.351 -14.849 1.00 0.00 C ATOM 770 O THR A 73 -2.090 -21.753 -15.991 1.00 0.00 O ATOM 771 CB THR A 73 -2.673 -18.935 -14.998 1.00 0.00 C ATOM 772 OG1 THR A 73 -2.745 -18.818 -16.432 1.00 0.00 O ATOM 773 CG2 THR A 73 -2.537 -17.537 -14.373 1.00 0.00 C ATOM 0 H THR A 73 -0.388 -19.761 -16.366 1.00 0.00 H new ATOM 0 HA THR A 73 -1.306 -19.707 -13.534 1.00 0.00 H new ATOM 0 HB THR A 73 -3.590 -19.383 -14.615 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.582 -19.694 -16.840 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.380 -16.918 -14.679 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.526 -17.624 -13.287 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.608 -17.077 -14.709 1.00 0.00 H new ATOM 781 N SER A 74 -1.811 -22.156 -13.789 1.00 0.00 N ATOM 782 CA SER A 74 -2.090 -23.600 -13.853 1.00 0.00 C ATOM 783 C SER A 74 -2.925 -23.988 -12.634 1.00 0.00 C ATOM 784 O SER A 74 -2.967 -23.250 -11.651 1.00 0.00 O ATOM 785 CB SER A 74 -0.762 -24.391 -13.908 1.00 0.00 C ATOM 786 OG SER A 74 -0.966 -25.793 -13.990 1.00 0.00 O ATOM 0 H SER A 74 -1.590 -21.827 -12.849 1.00 0.00 H new ATOM 0 HA SER A 74 -2.652 -23.841 -14.755 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.182 -24.061 -14.770 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.171 -24.165 -13.020 1.00 0.00 H new ATOM 0 HG SER A 74 -0.099 -26.248 -14.024 1.00 0.00 H new ATOM 792 N GLU A 75 -3.570 -25.150 -12.700 1.00 0.00 N ATOM 793 CA GLU A 75 -4.577 -25.575 -11.712 1.00 0.00 C ATOM 794 C GLU A 75 -4.404 -27.051 -11.353 1.00 0.00 C ATOM 795 O GLU A 75 -3.569 -27.759 -11.931 1.00 0.00 O ATOM 796 CB GLU A 75 -6.026 -25.297 -12.253 1.00 0.00 C ATOM 797 CG GLU A 75 -6.491 -26.140 -13.470 1.00 0.00 C ATOM 798 CD GLU A 75 -5.632 -25.940 -14.728 1.00 0.00 C ATOM 799 OE1 GLU A 75 -5.829 -24.931 -15.439 1.00 0.00 O ATOM 800 OE2 GLU A 75 -4.711 -26.757 -14.978 1.00 0.00 O ATOM 0 H GLU A 75 -3.413 -25.832 -13.442 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.431 -24.992 -10.803 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.730 -25.460 -11.437 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.091 -24.243 -12.524 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.477 -27.195 -13.196 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.525 -25.885 -13.703 1.00 0.00 H new ATOM 866 N ASN A 81 -9.318 -24.622 -7.641 1.00 0.00 N ATOM 867 CA ASN A 81 -7.997 -24.582 -7.003 1.00 0.00 C ATOM 868 C ASN A 81 -6.941 -24.401 -8.094 1.00 0.00 C ATOM 869 O ASN A 81 -6.702 -25.322 -8.879 1.00 0.00 O ATOM 870 CB ASN A 81 -7.716 -25.875 -6.190 1.00 0.00 C ATOM 871 CG ASN A 81 -6.327 -25.876 -5.524 1.00 0.00 C ATOM 872 OD1 ASN A 81 -6.161 -25.432 -4.389 1.00 0.00 O ATOM 873 ND2 ASN A 81 -5.319 -26.356 -6.233 1.00 0.00 N ATOM 0 HA ASN A 81 -7.965 -23.749 -6.301 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.481 -25.989 -5.422 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -7.797 -26.738 -6.851 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.378 -26.364 -5.841 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.483 -26.719 -7.172 1.00 0.00 H new ATOM 880 N TRP A 82 -6.320 -23.219 -8.132 1.00 0.00 N ATOM 881 CA TRP A 82 -5.285 -22.880 -9.121 1.00 0.00 C ATOM 882 C TRP A 82 -4.214 -21.988 -8.487 1.00 0.00 C ATOM 883 O TRP A 82 -4.296 -21.643 -7.304 1.00 0.00 O ATOM 884 CB TRP A 82 -5.919 -22.219 -10.383 1.00 0.00 C ATOM 885 CG TRP A 82 -6.649 -20.919 -10.133 1.00 0.00 C ATOM 886 CD1 TRP A 82 -7.752 -20.738 -9.356 1.00 0.00 C ATOM 887 CD2 TRP A 82 -6.344 -19.635 -10.690 1.00 0.00 C ATOM 888 NE1 TRP A 82 -8.129 -19.432 -9.375 1.00 0.00 N ATOM 889 CE2 TRP A 82 -7.291 -18.731 -10.187 1.00 0.00 C ATOM 890 CE3 TRP A 82 -5.362 -19.168 -11.564 1.00 0.00 C ATOM 891 CZ2 TRP A 82 -7.287 -17.381 -10.517 1.00 0.00 C ATOM 892 CZ3 TRP A 82 -5.355 -17.829 -11.892 1.00 0.00 C ATOM 893 CH2 TRP A 82 -6.314 -16.948 -11.375 1.00 0.00 C ATOM 0 H TRP A 82 -6.520 -22.464 -7.476 1.00 0.00 H new ATOM 0 HA TRP A 82 -4.799 -23.799 -9.449 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -5.130 -22.039 -11.114 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.615 -22.927 -10.833 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -8.255 -21.519 -8.804 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -8.917 -19.039 -8.861 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -4.624 -19.841 -11.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.022 -16.701 -10.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -4.595 -17.452 -12.561 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -6.284 -15.907 -11.660 1.00 0.00 H new ATOM 904 N ARG A 83 -3.215 -21.618 -9.297 1.00 0.00 N ATOM 905 CA ARG A 83 -2.017 -20.928 -8.832 1.00 0.00 C ATOM 906 C ARG A 83 -1.533 -19.929 -9.896 1.00 0.00 C ATOM 907 O ARG A 83 -1.769 -20.114 -11.100 1.00 0.00 O ATOM 908 CB ARG A 83 -0.924 -21.985 -8.455 1.00 0.00 C ATOM 909 CG ARG A 83 -0.371 -22.852 -9.623 1.00 0.00 C ATOM 910 CD ARG A 83 0.888 -22.253 -10.283 1.00 0.00 C ATOM 911 NE ARG A 83 1.309 -22.986 -11.486 1.00 0.00 N ATOM 912 CZ ARG A 83 2.009 -24.132 -11.505 1.00 0.00 C ATOM 913 NH1 ARG A 83 2.332 -24.760 -10.386 1.00 0.00 N ATOM 914 NH2 ARG A 83 2.379 -24.639 -12.665 1.00 0.00 N ATOM 0 H ARG A 83 -3.220 -21.793 -10.302 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.239 -20.348 -7.936 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.088 -21.462 -7.992 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.340 -22.653 -7.700 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.137 -23.848 -9.248 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.148 -22.970 -10.378 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.694 -21.213 -10.547 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.704 -22.251 -9.561 1.00 0.00 H new ATOM 0 HE ARG A 83 1.046 -22.588 -12.388 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.049 -24.375 -9.485 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.864 -25.629 -10.424 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.133 -24.161 -13.532 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.911 -25.509 -12.695 1.00 0.00 H new ATOM 928 N VAL A 84 -0.842 -18.878 -9.427 1.00 0.00 N ATOM 929 CA VAL A 84 -0.318 -17.791 -10.268 1.00 0.00 C ATOM 930 C VAL A 84 1.198 -17.670 -10.039 1.00 0.00 C ATOM 931 O VAL A 84 1.642 -17.306 -8.941 1.00 0.00 O ATOM 932 CB VAL A 84 -1.021 -16.412 -9.945 1.00 0.00 C ATOM 933 CG1 VAL A 84 -0.432 -15.251 -10.785 1.00 0.00 C ATOM 934 CG2 VAL A 84 -2.557 -16.504 -10.126 1.00 0.00 C ATOM 0 H VAL A 84 -0.628 -18.758 -8.437 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.526 -18.030 -11.311 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.819 -16.191 -8.897 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.944 -14.323 -10.532 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.632 -15.150 -10.570 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.569 -15.463 -11.845 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.009 -15.539 -9.896 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.786 -16.776 -11.156 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.958 -17.262 -9.453 1.00 0.00 H new ATOM 944 N VAL A 85 1.977 -18.033 -11.068 1.00 0.00 N ATOM 945 CA VAL A 85 3.424 -17.787 -11.124 1.00 0.00 C ATOM 946 C VAL A 85 3.655 -16.472 -11.887 1.00 0.00 C ATOM 947 O VAL A 85 3.202 -16.331 -13.036 1.00 0.00 O ATOM 948 CB VAL A 85 4.203 -18.952 -11.846 1.00 0.00 C ATOM 949 CG1 VAL A 85 5.743 -18.756 -11.754 1.00 0.00 C ATOM 950 CG2 VAL A 85 3.777 -20.331 -11.295 1.00 0.00 C ATOM 0 H VAL A 85 1.616 -18.511 -11.893 1.00 0.00 H new ATOM 0 HA VAL A 85 3.804 -17.730 -10.104 1.00 0.00 H new ATOM 0 HB VAL A 85 3.937 -18.919 -12.902 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.246 -19.579 -12.263 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.019 -17.814 -12.227 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.046 -18.738 -10.707 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.330 -21.116 -11.811 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.991 -20.378 -10.227 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.709 -20.473 -11.457 1.00 0.00 H new ATOM 960 N ALA A 86 4.352 -15.518 -11.251 1.00 0.00 N ATOM 961 CA ALA A 86 4.625 -14.193 -11.826 1.00 0.00 C ATOM 962 C ALA A 86 6.091 -13.802 -11.615 1.00 0.00 C ATOM 963 O ALA A 86 6.579 -13.791 -10.483 1.00 0.00 O ATOM 964 CB ALA A 86 3.690 -13.140 -11.204 1.00 0.00 C ATOM 0 H ALA A 86 4.744 -15.645 -10.318 1.00 0.00 H new ATOM 0 HA ALA A 86 4.437 -14.237 -12.899 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.902 -12.163 -11.638 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.653 -13.409 -11.406 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.851 -13.101 -10.127 1.00 0.00 H new ATOM 970 N ASP A 87 6.784 -13.504 -12.723 1.00 0.00 N ATOM 971 CA ASP A 87 8.141 -12.933 -12.714 1.00 0.00 C ATOM 972 C ASP A 87 8.121 -11.545 -12.079 1.00 0.00 C ATOM 973 O ASP A 87 7.260 -10.746 -12.394 1.00 0.00 O ATOM 974 CB ASP A 87 8.681 -12.850 -14.161 1.00 0.00 C ATOM 975 CG ASP A 87 8.917 -14.230 -14.797 1.00 0.00 C ATOM 976 OD1 ASP A 87 7.940 -14.900 -15.149 1.00 0.00 O ATOM 977 OD2 ASP A 87 10.073 -14.659 -14.938 1.00 0.00 O ATOM 0 H ASP A 87 6.415 -13.654 -13.662 1.00 0.00 H new ATOM 0 HA ASP A 87 8.796 -13.576 -12.126 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.975 -12.290 -14.774 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.617 -12.291 -14.162 1.00 0.00 H new ATOM 982 N VAL A 88 9.091 -11.261 -11.217 1.00 0.00 N ATOM 983 CA VAL A 88 9.132 -10.013 -10.437 1.00 0.00 C ATOM 984 C VAL A 88 10.312 -9.140 -10.887 1.00 0.00 C ATOM 985 O VAL A 88 11.418 -9.632 -11.134 1.00 0.00 O ATOM 986 CB VAL A 88 9.177 -10.316 -8.889 1.00 0.00 C ATOM 987 CG1 VAL A 88 7.786 -10.754 -8.371 1.00 0.00 C ATOM 988 CG2 VAL A 88 10.243 -11.391 -8.546 1.00 0.00 C ATOM 0 H VAL A 88 9.876 -11.886 -11.033 1.00 0.00 H new ATOM 0 HA VAL A 88 8.216 -9.452 -10.625 1.00 0.00 H new ATOM 0 HB VAL A 88 9.461 -9.391 -8.387 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.843 -10.957 -7.302 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.064 -9.958 -8.551 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.470 -11.656 -8.895 1.00 0.00 H new ATOM 0 HG21 VAL A 88 10.244 -11.572 -7.471 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.007 -12.317 -9.070 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.227 -11.039 -8.855 1.00 0.00 H new ATOM 998 N TYR A 89 10.047 -7.827 -10.984 1.00 0.00 N ATOM 999 CA TYR A 89 10.921 -6.841 -11.639 1.00 0.00 C ATOM 1000 C TYR A 89 11.219 -5.694 -10.674 1.00 0.00 C ATOM 1001 O TYR A 89 10.303 -5.153 -10.058 1.00 0.00 O ATOM 1002 CB TYR A 89 10.221 -6.270 -12.902 1.00 0.00 C ATOM 1003 CG TYR A 89 10.105 -7.245 -14.080 1.00 0.00 C ATOM 1004 CD1 TYR A 89 9.065 -8.179 -14.158 1.00 0.00 C ATOM 1005 CD2 TYR A 89 11.029 -7.213 -15.128 1.00 0.00 C ATOM 1006 CE1 TYR A 89 8.959 -9.040 -15.236 1.00 0.00 C ATOM 1007 CE2 TYR A 89 10.922 -8.069 -16.196 1.00 0.00 C ATOM 1008 CZ TYR A 89 9.895 -8.977 -16.249 1.00 0.00 C ATOM 1009 OH TYR A 89 9.799 -9.811 -17.335 1.00 0.00 O ATOM 0 H TYR A 89 9.198 -7.412 -10.600 1.00 0.00 H new ATOM 0 HA TYR A 89 11.851 -7.331 -11.927 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.220 -5.939 -12.625 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.768 -5.388 -13.234 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.334 -8.228 -13.364 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.842 -6.502 -15.097 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.151 -9.755 -15.285 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.647 -8.028 -16.995 1.00 0.00 H new ATOM 0 HH TYR A 89 9.916 -9.291 -18.158 1.00 0.00 H new ATOM 1019 N LYS A 90 12.497 -5.305 -10.583 1.00 0.00 N ATOM 1020 CA LYS A 90 12.935 -4.159 -9.769 1.00 0.00 C ATOM 1021 C LYS A 90 12.707 -2.833 -10.522 1.00 0.00 C ATOM 1022 O LYS A 90 12.255 -2.821 -11.679 1.00 0.00 O ATOM 1023 CB LYS A 90 14.441 -4.315 -9.395 1.00 0.00 C ATOM 1024 CG LYS A 90 14.768 -5.523 -8.492 1.00 0.00 C ATOM 1025 CD LYS A 90 14.023 -5.504 -7.134 1.00 0.00 C ATOM 1026 CE LYS A 90 14.320 -4.255 -6.285 1.00 0.00 C ATOM 1027 NZ LYS A 90 15.768 -4.076 -6.017 1.00 0.00 N ATOM 0 H LYS A 90 13.259 -5.775 -11.071 1.00 0.00 H new ATOM 0 HA LYS A 90 12.342 -4.138 -8.855 1.00 0.00 H new ATOM 0 HB2 LYS A 90 15.021 -4.400 -10.314 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.771 -3.406 -8.893 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.515 -6.441 -9.022 1.00 0.00 H new ATOM 0 HG3 LYS A 90 15.842 -5.547 -8.307 1.00 0.00 H new ATOM 0 HD2 LYS A 90 12.950 -5.562 -7.317 1.00 0.00 H new ATOM 0 HD3 LYS A 90 14.298 -6.393 -6.566 1.00 0.00 H new ATOM 0 HE2 LYS A 90 13.938 -3.373 -6.798 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.786 -4.329 -5.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.909 -3.240 -5.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 16.138 -4.919 -5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.274 -3.943 -6.916 1.00 0.00 H new ATOM 1041 N ALA A 91 13.009 -1.721 -9.838 1.00 0.00 N ATOM 1042 CA ALA A 91 12.968 -0.377 -10.428 1.00 0.00 C ATOM 1043 C ALA A 91 14.296 -0.120 -11.176 1.00 0.00 C ATOM 1044 O ALA A 91 15.345 -0.003 -10.505 1.00 0.00 O ATOM 1045 CB ALA A 91 12.714 0.681 -9.335 1.00 0.00 C ATOM 1046 OXT ALA A 91 14.293 -0.069 -12.421 1.00 0.00 O ATOM 0 H ALA A 91 13.289 -1.729 -8.857 1.00 0.00 H new ATOM 0 HA ALA A 91 12.146 -0.305 -11.141 1.00 0.00 H new ATOM 0 HB1 ALA A 91 12.686 1.672 -9.788 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.761 0.478 -8.847 1.00 0.00 H new ATOM 0 HB3 ALA A 91 13.515 0.641 -8.597 1.00 0.00 H new