USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 704 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 49 HIS : no HE2:sc= -24! C(o=-24!,f=-31!) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 24 MET CE :methyl -148:sc= -0.828 (180deg=-2.62) USER MOD Set 2.2: A 39 CYS SG : rot 157:sc= 0.183 USER MOD Set 2.3: A 45 CYS SG : rot -147:sc= -15.3! USER MOD Set 2.4: A 48 CYS SG : rot 123:sc= -0.46 USER MOD Set 3.1: A 42 SER OG : rot -77:sc= 0.362 USER MOD Set 3.2: A 44 SER OG : rot -159:sc= -1.61 USER MOD Set 4.1: A 29 SER OG : rot 180:sc= -0.179 USER MOD Set 4.2: A 30 ASN : amide:sc= -10.3! C(o=-10!,f=-7.1!) USER MOD Set 5.1: A 22 SER OG : rot 180:sc= 0.212 USER MOD Set 5.2: A 25 GLN : amide:sc= -4.1! K(o=-3.9!,f=-1.6) USER MOD Single : A 1 SER N :NH3+ -119:sc= -1.34! (180deg=-6!) USER MOD Single : A 1 SER OG : rot -119:sc= -0.672! USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -96:sc= -2.48! USER MOD Single : A 7 SER OG : rot -43:sc= -7.6! USER MOD Single : A 8 HIS : no HE2:sc= -1.31 X(o=-1.3,f=-0.83) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= -0.435 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -14.6! C(o=-15!,f=-22!) USER MOD Single : A 57 THR OG1 : rot 90:sc= -2.34! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -7.89! C(o=-7.9!,f=-5.8!) USER MOD Single : A 70 MET CE :methyl -149:sc= -21.4! (180deg=-27.1!) USER MOD Single : A 73 CYS SG : rot 34:sc= -2.29! USER MOD Single : A 75 THR OG1 : rot -65:sc= 0.112 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -2.03! C(o=-2!,f=-14!) USER MOD Single : A 82 SER OG : rot -116:sc= -7.63! USER MOD Single : A 85 SER OG : rot -51:sc= -5.12! USER MOD Single : A 87 GLN : amide:sc= -14.9! C(o=-15!,f=-17!) USER MOD Single : A 90 MET CE :methyl 174:sc= -3.52! (180deg=-3.68!) USER MOD Single : A 91 THR OG1 : rot -163:sc= -3.5! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.197 -10.985 -9.443 1.00 0.00 N ATOM 2 CA SER A 1 2.545 -9.582 -9.810 1.00 0.00 C ATOM 3 C SER A 1 3.713 -9.079 -8.959 1.00 0.00 C ATOM 4 O SER A 1 3.809 -9.369 -7.783 1.00 0.00 O ATOM 5 CB SER A 1 1.291 -8.762 -9.509 1.00 0.00 C ATOM 6 OG SER A 1 0.390 -9.547 -8.738 1.00 0.00 O ATOM 0 H1 SER A 1 2.323 -11.602 -10.271 1.00 0.00 H new ATOM 0 H2 SER A 1 2.818 -11.307 -8.673 1.00 0.00 H new ATOM 0 H3 SER A 1 1.207 -11.026 -9.129 1.00 0.00 H new ATOM 0 HA SER A 1 2.849 -9.503 -10.854 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.557 -7.855 -8.966 1.00 0.00 H new ATOM 0 HB3 SER A 1 0.815 -8.449 -10.438 1.00 0.00 H new ATOM 0 HG SER A 1 -0.447 -9.666 -9.234 1.00 0.00 H new ATOM 14 N LYS A 2 4.590 -8.312 -9.543 1.00 0.00 N ATOM 15 CA LYS A 2 5.742 -7.770 -8.771 1.00 0.00 C ATOM 16 C LYS A 2 5.289 -6.551 -7.972 1.00 0.00 C ATOM 17 O LYS A 2 4.560 -5.715 -8.469 1.00 0.00 O ATOM 18 CB LYS A 2 6.763 -7.354 -9.830 1.00 0.00 C ATOM 19 CG LYS A 2 8.167 -7.374 -9.224 1.00 0.00 C ATOM 20 CD LYS A 2 9.175 -7.818 -10.286 1.00 0.00 C ATOM 21 CE LYS A 2 8.810 -9.217 -10.786 1.00 0.00 C ATOM 22 NZ LYS A 2 10.067 -9.757 -11.371 1.00 0.00 N ATOM 0 H LYS A 2 4.558 -8.036 -10.525 1.00 0.00 H new ATOM 0 HA LYS A 2 6.154 -8.493 -8.067 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.714 -8.031 -10.683 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.530 -6.356 -10.202 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.428 -6.383 -8.851 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.197 -8.053 -8.372 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.177 -7.113 -11.117 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.182 -7.821 -9.868 1.00 0.00 H new ATOM 0 HE2 LYS A 2 8.452 -9.846 -9.971 1.00 0.00 H new ATOM 0 HE3 LYS A 2 8.015 -9.175 -11.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.896 -10.716 -11.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.381 -9.141 -12.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.804 -9.792 -10.638 1.00 0.00 H new ATOM 36 N VAL A 3 5.706 -6.428 -6.742 1.00 0.00 N ATOM 37 CA VAL A 3 5.277 -5.244 -5.951 1.00 0.00 C ATOM 38 C VAL A 3 6.503 -4.524 -5.395 1.00 0.00 C ATOM 39 O VAL A 3 7.424 -5.138 -4.893 1.00 0.00 O ATOM 40 CB VAL A 3 4.397 -5.811 -4.832 1.00 0.00 C ATOM 41 CG1 VAL A 3 4.436 -4.899 -3.603 1.00 0.00 C ATOM 42 CG2 VAL A 3 2.958 -5.917 -5.334 1.00 0.00 C ATOM 0 H VAL A 3 6.316 -7.086 -6.257 1.00 0.00 H new ATOM 0 HA VAL A 3 4.731 -4.511 -6.545 1.00 0.00 H new ATOM 0 HB VAL A 3 4.773 -6.795 -4.551 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.805 -5.318 -2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.461 -4.820 -3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.070 -3.909 -3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.325 -6.320 -4.543 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.598 -4.928 -5.618 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.922 -6.579 -6.199 1.00 0.00 H new ATOM 52 N VAL A 4 6.522 -3.225 -5.479 1.00 0.00 N ATOM 53 CA VAL A 4 7.696 -2.475 -4.950 1.00 0.00 C ATOM 54 C VAL A 4 7.239 -1.367 -4.026 1.00 0.00 C ATOM 55 O VAL A 4 6.410 -0.542 -4.356 1.00 0.00 O ATOM 56 CB VAL A 4 8.427 -1.932 -6.170 1.00 0.00 C ATOM 57 CG1 VAL A 4 9.466 -0.898 -5.730 1.00 0.00 C ATOM 58 CG2 VAL A 4 9.124 -3.080 -6.901 1.00 0.00 C ATOM 0 H VAL A 4 5.783 -2.653 -5.887 1.00 0.00 H new ATOM 0 HA VAL A 4 8.356 -3.109 -4.359 1.00 0.00 H new ATOM 0 HB VAL A 4 7.709 -1.458 -6.840 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.988 -0.511 -6.605 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.967 -0.078 -5.213 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.184 -1.367 -5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.647 -2.691 -7.774 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.840 -3.556 -6.231 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.382 -3.813 -7.219 1.00 0.00 H new ATOM 68 N TYR A 5 7.763 -1.397 -2.847 1.00 0.00 N ATOM 69 CA TYR A 5 7.383 -0.426 -1.801 1.00 0.00 C ATOM 70 C TYR A 5 8.367 0.726 -1.675 1.00 0.00 C ATOM 71 O TYR A 5 9.565 0.537 -1.707 1.00 0.00 O ATOM 72 CB TYR A 5 7.476 -1.276 -0.561 1.00 0.00 C ATOM 73 CG TYR A 5 6.510 -2.414 -0.654 1.00 0.00 C ATOM 74 CD1 TYR A 5 5.174 -2.176 -0.965 1.00 0.00 C ATOM 75 CD2 TYR A 5 6.949 -3.704 -0.380 1.00 0.00 C ATOM 76 CE1 TYR A 5 4.272 -3.241 -1.015 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.048 -4.766 -0.415 1.00 0.00 C ATOM 78 CZ TYR A 5 4.707 -4.540 -0.736 1.00 0.00 C ATOM 79 OH TYR A 5 3.818 -5.594 -0.775 1.00 0.00 O ATOM 0 H TYR A 5 8.464 -2.078 -2.554 1.00 0.00 H new ATOM 0 HA TYR A 5 6.417 0.038 -1.999 1.00 0.00 H new ATOM 0 HB2 TYR A 5 8.491 -1.657 -0.445 1.00 0.00 H new ATOM 0 HB3 TYR A 5 7.259 -0.674 0.321 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.836 -1.170 -1.167 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.987 -3.883 -0.140 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.238 -3.061 -1.269 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.387 -5.767 -0.193 1.00 0.00 H new ATOM 0 HH TYR A 5 3.487 -5.776 0.129 1.00 0.00 H new ATOM 89 N VAL A 6 7.871 1.913 -1.477 1.00 0.00 N ATOM 90 CA VAL A 6 8.807 3.070 -1.284 1.00 0.00 C ATOM 91 C VAL A 6 8.555 3.726 0.071 1.00 0.00 C ATOM 92 O VAL A 6 7.478 3.635 0.625 1.00 0.00 O ATOM 93 CB VAL A 6 8.536 4.054 -2.416 1.00 0.00 C ATOM 94 CG1 VAL A 6 9.689 5.060 -2.507 1.00 0.00 C ATOM 95 CG2 VAL A 6 8.435 3.282 -3.721 1.00 0.00 C ATOM 0 H VAL A 6 6.877 2.138 -1.439 1.00 0.00 H new ATOM 0 HA VAL A 6 9.847 2.743 -1.302 1.00 0.00 H new ATOM 0 HB VAL A 6 7.606 4.590 -2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.495 5.764 -3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.773 5.604 -1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.620 4.529 -2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.241 3.975 -4.540 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.371 2.755 -3.906 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.620 2.561 -3.655 1.00 0.00 H new ATOM 105 N SER A 7 9.536 4.394 0.604 1.00 0.00 N ATOM 106 CA SER A 7 9.353 5.064 1.913 1.00 0.00 C ATOM 107 C SER A 7 9.567 6.566 1.749 1.00 0.00 C ATOM 108 O SER A 7 10.418 7.006 1.005 1.00 0.00 O ATOM 109 CB SER A 7 10.414 4.460 2.832 1.00 0.00 C ATOM 110 OG SER A 7 11.704 4.794 2.342 1.00 0.00 O ATOM 0 H SER A 7 10.460 4.504 0.186 1.00 0.00 H new ATOM 0 HA SER A 7 8.352 4.921 2.320 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.289 4.837 3.847 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.299 3.377 2.877 1.00 0.00 H new ATOM 0 HG SER A 7 11.722 4.688 1.368 1.00 0.00 H new ATOM 116 N HIS A 8 8.795 7.352 2.433 1.00 0.00 N ATOM 117 CA HIS A 8 8.941 8.833 2.318 1.00 0.00 C ATOM 118 C HIS A 8 10.420 9.235 2.366 1.00 0.00 C ATOM 119 O HIS A 8 10.801 10.282 1.881 1.00 0.00 O ATOM 120 CB HIS A 8 8.183 9.415 3.513 1.00 0.00 C ATOM 121 CG HIS A 8 8.391 8.559 4.723 1.00 0.00 C ATOM 122 ND1 HIS A 8 7.327 8.006 5.391 1.00 0.00 N ATOM 123 CD2 HIS A 8 9.517 8.153 5.395 1.00 0.00 C ATOM 124 CE1 HIS A 8 7.816 7.297 6.425 1.00 0.00 C ATOM 125 NE2 HIS A 8 9.151 7.353 6.473 1.00 0.00 N ATOM 0 H HIS A 8 8.064 7.037 3.071 1.00 0.00 H new ATOM 0 HA HIS A 8 8.546 9.205 1.372 1.00 0.00 H new ATOM 0 HB2 HIS A 8 8.528 10.430 3.713 1.00 0.00 H new ATOM 0 HB3 HIS A 8 7.120 9.479 3.282 1.00 0.00 H new ATOM 0 HD1 HIS A 8 6.342 8.113 5.147 1.00 0.00 H new ATOM 0 HD2 HIS A 8 10.530 8.414 5.128 1.00 0.00 H new ATOM 0 HE1 HIS A 8 7.206 6.751 7.129 1.00 0.00 H new ATOM 133 N ASP A 9 11.257 8.417 2.947 1.00 0.00 N ATOM 134 CA ASP A 9 12.708 8.765 3.021 1.00 0.00 C ATOM 135 C ASP A 9 13.452 8.236 1.790 1.00 0.00 C ATOM 136 O ASP A 9 14.629 8.479 1.612 1.00 0.00 O ATOM 137 CB ASP A 9 13.216 8.085 4.294 1.00 0.00 C ATOM 138 CG ASP A 9 13.366 6.583 4.052 1.00 0.00 C ATOM 139 OD1 ASP A 9 14.435 6.176 3.628 1.00 0.00 O ATOM 140 OD2 ASP A 9 12.411 5.865 4.293 1.00 0.00 O ATOM 0 H ASP A 9 11.001 7.526 3.372 1.00 0.00 H new ATOM 0 HA ASP A 9 12.870 9.843 3.043 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.174 8.513 4.589 1.00 0.00 H new ATOM 0 HB3 ASP A 9 12.521 8.263 5.115 1.00 0.00 H new ATOM 145 N GLY A 10 12.772 7.521 0.937 1.00 0.00 N ATOM 146 CA GLY A 10 13.436 6.983 -0.286 1.00 0.00 C ATOM 147 C GLY A 10 13.621 5.469 -0.158 1.00 0.00 C ATOM 148 O GLY A 10 13.576 4.748 -1.135 1.00 0.00 O ATOM 0 H GLY A 10 11.784 7.285 1.033 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.835 7.211 -1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.403 7.465 -0.427 1.00 0.00 H new ATOM 152 N THR A 11 13.826 4.977 1.034 1.00 0.00 N ATOM 153 CA THR A 11 14.006 3.515 1.204 1.00 0.00 C ATOM 154 C THR A 11 12.881 2.787 0.477 1.00 0.00 C ATOM 155 O THR A 11 11.718 3.112 0.602 1.00 0.00 O ATOM 156 CB THR A 11 13.972 3.281 2.725 1.00 0.00 C ATOM 157 OG1 THR A 11 15.229 2.767 3.143 1.00 0.00 O ATOM 158 CG2 THR A 11 12.868 2.290 3.120 1.00 0.00 C ATOM 0 H THR A 11 13.876 5.526 1.892 1.00 0.00 H new ATOM 0 HA THR A 11 14.939 3.138 0.784 1.00 0.00 H new ATOM 0 HB THR A 11 13.763 4.234 3.211 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.215 2.617 4.111 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.875 2.150 4.201 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.899 2.682 2.811 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.045 1.333 2.629 1.00 0.00 H new ATOM 166 N ARG A 12 13.240 1.820 -0.293 1.00 0.00 N ATOM 167 CA ARG A 12 12.222 1.055 -1.068 1.00 0.00 C ATOM 168 C ARG A 12 12.336 -0.451 -0.795 1.00 0.00 C ATOM 169 O ARG A 12 13.401 -0.966 -0.518 1.00 0.00 O ATOM 170 CB ARG A 12 12.552 1.351 -2.531 1.00 0.00 C ATOM 171 CG ARG A 12 11.529 2.336 -3.096 1.00 0.00 C ATOM 172 CD ARG A 12 11.733 2.477 -4.605 1.00 0.00 C ATOM 173 NE ARG A 12 11.913 3.937 -4.834 1.00 0.00 N ATOM 174 CZ ARG A 12 11.821 4.425 -6.042 1.00 0.00 C ATOM 175 NH1 ARG A 12 12.822 4.310 -6.870 1.00 0.00 N ATOM 176 NH2 ARG A 12 10.726 5.027 -6.420 1.00 0.00 N ATOM 0 H ARG A 12 14.204 1.514 -0.428 1.00 0.00 H new ATOM 0 HA ARG A 12 11.206 1.342 -0.797 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.556 1.767 -2.611 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.542 0.428 -3.111 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.518 1.986 -2.886 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.637 3.306 -2.612 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.605 1.914 -4.940 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.875 2.094 -5.157 1.00 0.00 H new ATOM 0 HE ARG A 12 12.108 4.556 -4.047 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.677 3.839 -6.574 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.750 4.691 -7.813 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.943 5.116 -5.772 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.653 5.408 -7.363 1.00 0.00 H new ATOM 190 N ARG A 13 11.244 -1.160 -0.904 1.00 0.00 N ATOM 191 CA ARG A 13 11.273 -2.639 -0.692 1.00 0.00 C ATOM 192 C ARG A 13 10.477 -3.311 -1.815 1.00 0.00 C ATOM 193 O ARG A 13 9.300 -3.060 -1.983 1.00 0.00 O ATOM 194 CB ARG A 13 10.630 -2.944 0.684 1.00 0.00 C ATOM 195 CG ARG A 13 9.813 -1.769 1.244 1.00 0.00 C ATOM 196 CD ARG A 13 10.398 -1.332 2.589 1.00 0.00 C ATOM 197 NE ARG A 13 10.606 -2.596 3.347 1.00 0.00 N ATOM 198 CZ ARG A 13 11.131 -2.561 4.541 1.00 0.00 C ATOM 199 NH1 ARG A 13 10.749 -1.653 5.396 1.00 0.00 N ATOM 200 NH2 ARG A 13 12.039 -3.437 4.880 1.00 0.00 N ATOM 0 H ARG A 13 10.327 -0.777 -1.132 1.00 0.00 H new ATOM 0 HA ARG A 13 12.295 -3.018 -0.706 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.983 -3.816 0.590 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.414 -3.204 1.395 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.827 -0.936 0.542 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.771 -2.064 1.368 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.336 -0.793 2.455 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.718 -0.663 3.116 1.00 0.00 H new ATOM 0 HE ARG A 13 10.338 -3.489 2.933 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.039 -0.970 5.131 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.160 -1.626 6.329 1.00 0.00 H new ATOM 0 HH21 ARG A 13 12.337 -4.147 4.212 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.450 -3.410 5.813 1.00 0.00 H new ATOM 214 N GLU A 14 11.109 -4.136 -2.607 1.00 0.00 N ATOM 215 CA GLU A 14 10.374 -4.781 -3.737 1.00 0.00 C ATOM 216 C GLU A 14 10.303 -6.303 -3.576 1.00 0.00 C ATOM 217 O GLU A 14 11.302 -6.976 -3.423 1.00 0.00 O ATOM 218 CB GLU A 14 11.179 -4.418 -4.987 1.00 0.00 C ATOM 219 CG GLU A 14 11.580 -2.942 -4.932 1.00 0.00 C ATOM 220 CD GLU A 14 12.857 -2.789 -4.105 1.00 0.00 C ATOM 221 OE1 GLU A 14 13.699 -3.668 -4.182 1.00 0.00 O ATOM 222 OE2 GLU A 14 12.972 -1.794 -3.408 1.00 0.00 O ATOM 0 H GLU A 14 12.093 -4.390 -2.523 1.00 0.00 H new ATOM 0 HA GLU A 14 9.341 -4.436 -3.784 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.069 -5.044 -5.053 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.587 -4.611 -5.881 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.740 -2.560 -5.940 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.776 -2.352 -4.491 1.00 0.00 H new ATOM 229 N LEU A 15 9.114 -6.839 -3.613 1.00 0.00 N ATOM 230 CA LEU A 15 8.929 -8.301 -3.471 1.00 0.00 C ATOM 231 C LEU A 15 8.476 -8.927 -4.779 1.00 0.00 C ATOM 232 O LEU A 15 8.322 -8.273 -5.791 1.00 0.00 O ATOM 233 CB LEU A 15 7.789 -8.425 -2.473 1.00 0.00 C ATOM 234 CG LEU A 15 8.289 -8.048 -1.102 1.00 0.00 C ATOM 235 CD1 LEU A 15 8.309 -6.556 -0.982 1.00 0.00 C ATOM 236 CD2 LEU A 15 7.342 -8.579 -0.047 1.00 0.00 C ATOM 0 H LEU A 15 8.250 -6.311 -3.738 1.00 0.00 H new ATOM 0 HA LEU A 15 9.853 -8.795 -3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.963 -7.776 -2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.405 -9.445 -2.466 1.00 0.00 H new ATOM 0 HG LEU A 15 9.286 -8.466 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.670 -6.275 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.971 -6.139 -1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.301 -6.166 -1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.708 -8.304 0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.351 -8.151 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.284 -9.665 -0.123 1.00 0.00 H new ATOM 248 N ASP A 16 8.196 -10.189 -4.724 1.00 0.00 N ATOM 249 CA ASP A 16 7.671 -10.903 -5.908 1.00 0.00 C ATOM 250 C ASP A 16 6.300 -11.431 -5.505 1.00 0.00 C ATOM 251 O ASP A 16 6.175 -12.483 -4.908 1.00 0.00 O ATOM 252 CB ASP A 16 8.652 -12.044 -6.181 1.00 0.00 C ATOM 253 CG ASP A 16 8.043 -13.012 -7.196 1.00 0.00 C ATOM 254 OD1 ASP A 16 8.094 -12.710 -8.376 1.00 0.00 O ATOM 255 OD2 ASP A 16 7.536 -14.039 -6.775 1.00 0.00 O ATOM 0 H ASP A 16 8.311 -10.768 -3.892 1.00 0.00 H new ATOM 0 HA ASP A 16 7.574 -10.288 -6.802 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.592 -11.645 -6.562 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.881 -12.570 -5.254 1.00 0.00 H new ATOM 260 N VAL A 17 5.279 -10.675 -5.767 1.00 0.00 N ATOM 261 CA VAL A 17 3.919 -11.089 -5.336 1.00 0.00 C ATOM 262 C VAL A 17 3.156 -11.734 -6.486 1.00 0.00 C ATOM 263 O VAL A 17 3.590 -11.721 -7.620 1.00 0.00 O ATOM 264 CB VAL A 17 3.258 -9.778 -4.900 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.986 -10.074 -4.108 1.00 0.00 C ATOM 266 CG2 VAL A 17 4.233 -8.997 -4.017 1.00 0.00 C ATOM 0 H VAL A 17 5.325 -9.785 -6.263 1.00 0.00 H new ATOM 0 HA VAL A 17 3.937 -11.834 -4.540 1.00 0.00 H new ATOM 0 HB VAL A 17 3.001 -9.191 -5.782 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.522 -9.137 -3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.291 -10.636 -4.732 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.236 -10.661 -3.224 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.770 -8.062 -3.702 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.484 -9.591 -3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.141 -8.781 -4.580 1.00 0.00 H new ATOM 276 N ALA A 18 2.030 -12.319 -6.192 1.00 0.00 N ATOM 277 CA ALA A 18 1.241 -12.990 -7.267 1.00 0.00 C ATOM 278 C ALA A 18 -0.239 -12.617 -7.173 1.00 0.00 C ATOM 279 O ALA A 18 -0.592 -11.502 -6.852 1.00 0.00 O ATOM 280 CB ALA A 18 1.424 -14.487 -7.022 1.00 0.00 C ATOM 0 H ALA A 18 1.621 -12.363 -5.259 1.00 0.00 H new ATOM 0 HA ALA A 18 1.577 -12.688 -8.259 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.872 -15.049 -7.775 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.483 -14.739 -7.085 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.049 -14.742 -6.031 1.00 0.00 H new ATOM 286 N ASP A 19 -1.104 -13.551 -7.465 1.00 0.00 N ATOM 287 CA ASP A 19 -2.559 -13.279 -7.414 1.00 0.00 C ATOM 288 C ASP A 19 -3.137 -13.701 -6.062 1.00 0.00 C ATOM 289 O ASP A 19 -3.025 -14.838 -5.650 1.00 0.00 O ATOM 290 CB ASP A 19 -3.136 -14.125 -8.553 1.00 0.00 C ATOM 291 CG ASP A 19 -3.334 -15.573 -8.091 1.00 0.00 C ATOM 292 OD1 ASP A 19 -2.342 -16.228 -7.820 1.00 0.00 O ATOM 293 OD2 ASP A 19 -4.475 -15.999 -8.016 1.00 0.00 O ATOM 0 H ASP A 19 -0.855 -14.501 -7.740 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.797 -12.221 -7.525 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.088 -13.707 -8.880 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.465 -14.098 -9.411 1.00 0.00 H new ATOM 298 N GLY A 20 -3.764 -12.791 -5.378 1.00 0.00 N ATOM 299 CA GLY A 20 -4.365 -13.131 -4.057 1.00 0.00 C ATOM 300 C GLY A 20 -3.596 -12.447 -2.924 1.00 0.00 C ATOM 301 O GLY A 20 -4.010 -12.481 -1.782 1.00 0.00 O ATOM 0 H GLY A 20 -3.888 -11.823 -5.675 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.409 -12.819 -4.035 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.352 -14.211 -3.912 1.00 0.00 H new ATOM 305 N VAL A 21 -2.487 -11.823 -3.214 1.00 0.00 N ATOM 306 CA VAL A 21 -1.726 -11.145 -2.124 1.00 0.00 C ATOM 307 C VAL A 21 -2.033 -9.650 -2.095 1.00 0.00 C ATOM 308 O VAL A 21 -2.612 -9.096 -3.005 1.00 0.00 O ATOM 309 CB VAL A 21 -0.251 -11.337 -2.447 1.00 0.00 C ATOM 310 CG1 VAL A 21 0.598 -10.742 -1.323 1.00 0.00 C ATOM 311 CG2 VAL A 21 0.081 -12.821 -2.586 1.00 0.00 C ATOM 0 H VAL A 21 -2.078 -11.753 -4.146 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.997 -11.564 -1.155 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.035 -10.834 -3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.655 -10.879 -1.553 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.382 -9.678 -1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.363 -11.244 -0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.140 -12.937 -2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.145 -13.333 -1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.515 -13.253 -3.390 1.00 0.00 H new ATOM 321 N SER A 22 -1.624 -9.003 -1.049 1.00 0.00 N ATOM 322 CA SER A 22 -1.843 -7.534 -0.913 1.00 0.00 C ATOM 323 C SER A 22 -0.492 -6.829 -0.745 1.00 0.00 C ATOM 324 O SER A 22 0.502 -7.462 -0.449 1.00 0.00 O ATOM 325 CB SER A 22 -2.691 -7.377 0.352 1.00 0.00 C ATOM 326 OG SER A 22 -2.837 -8.641 0.989 1.00 0.00 O ATOM 0 H SER A 22 -1.137 -9.434 -0.263 1.00 0.00 H new ATOM 0 HA SER A 22 -2.332 -7.098 -1.784 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.219 -6.668 1.032 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.670 -6.971 0.097 1.00 0.00 H new ATOM 0 HG SER A 22 -3.379 -8.538 1.799 1.00 0.00 H new ATOM 332 N LEU A 23 -0.430 -5.529 -0.903 1.00 0.00 N ATOM 333 CA LEU A 23 0.884 -4.851 -0.709 1.00 0.00 C ATOM 334 C LEU A 23 1.358 -5.115 0.715 1.00 0.00 C ATOM 335 O LEU A 23 2.520 -4.970 1.034 1.00 0.00 O ATOM 336 CB LEU A 23 0.658 -3.348 -0.950 1.00 0.00 C ATOM 337 CG LEU A 23 0.132 -3.106 -2.377 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.668 -1.771 -2.890 1.00 0.00 C ATOM 339 CD2 LEU A 23 0.598 -4.217 -3.329 1.00 0.00 C ATOM 0 H LEU A 23 -1.212 -4.923 -1.152 1.00 0.00 H new ATOM 0 HA LEU A 23 1.645 -5.221 -1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.055 -2.960 -0.222 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.592 -2.805 -0.803 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.958 -3.099 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.299 -1.595 -3.900 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.331 -0.968 -2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.758 -1.797 -2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.213 -4.023 -4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.687 -4.239 -3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.224 -5.178 -2.977 1.00 0.00 H new ATOM 351 N MET A 24 0.463 -5.531 1.570 1.00 0.00 N ATOM 352 CA MET A 24 0.862 -5.836 2.967 1.00 0.00 C ATOM 353 C MET A 24 1.440 -7.232 3.021 1.00 0.00 C ATOM 354 O MET A 24 2.600 -7.424 3.278 1.00 0.00 O ATOM 355 CB MET A 24 -0.425 -5.758 3.799 1.00 0.00 C ATOM 356 CG MET A 24 -0.332 -6.673 5.026 1.00 0.00 C ATOM 357 SD MET A 24 -0.912 -5.769 6.482 1.00 0.00 S ATOM 358 CE MET A 24 -0.802 -7.143 7.649 1.00 0.00 C ATOM 0 H MET A 24 -0.525 -5.672 1.359 1.00 0.00 H new ATOM 0 HA MET A 24 1.615 -5.144 3.344 1.00 0.00 H new ATOM 0 HB2 MET A 24 -0.596 -4.730 4.118 1.00 0.00 H new ATOM 0 HB3 MET A 24 -1.278 -6.048 3.186 1.00 0.00 H new ATOM 0 HG2 MET A 24 -0.935 -7.568 4.874 1.00 0.00 H new ATOM 0 HG3 MET A 24 0.697 -7.002 5.173 1.00 0.00 H new ATOM 0 HE1 MET A 24 -1.581 -7.041 8.405 1.00 0.00 H new ATOM 0 HE2 MET A 24 -0.934 -8.085 7.116 1.00 0.00 H new ATOM 0 HE3 MET A 24 0.175 -7.133 8.131 1.00 0.00 H new ATOM 368 N GLN A 25 0.614 -8.191 2.777 1.00 0.00 N ATOM 369 CA GLN A 25 1.037 -9.609 2.818 1.00 0.00 C ATOM 370 C GLN A 25 2.461 -9.784 2.271 1.00 0.00 C ATOM 371 O GLN A 25 3.377 -10.040 3.025 1.00 0.00 O ATOM 372 CB GLN A 25 0.009 -10.246 1.904 1.00 0.00 C ATOM 373 CG GLN A 25 0.148 -11.763 1.881 1.00 0.00 C ATOM 374 CD GLN A 25 -1.203 -12.378 1.492 1.00 0.00 C ATOM 375 OE1 GLN A 25 -1.399 -13.570 1.632 1.00 0.00 O ATOM 376 NE2 GLN A 25 -2.155 -11.614 1.005 1.00 0.00 N ATOM 0 H GLN A 25 -0.369 -8.051 2.543 1.00 0.00 H new ATOM 0 HA GLN A 25 1.074 -10.039 3.819 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.993 -9.976 2.237 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.125 -9.853 0.894 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.917 -12.061 1.168 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.461 -12.128 2.859 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.995 -10.614 0.886 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.054 -12.021 0.746 1.00 0.00 H new ATOM 385 N ALA A 26 2.673 -9.641 0.985 1.00 0.00 N ATOM 386 CA ALA A 26 4.067 -9.790 0.453 1.00 0.00 C ATOM 387 C ALA A 26 5.024 -9.059 1.390 1.00 0.00 C ATOM 388 O ALA A 26 5.837 -9.661 2.064 1.00 0.00 O ATOM 389 CB ALA A 26 4.052 -9.131 -0.933 1.00 0.00 C ATOM 0 H ALA A 26 1.956 -9.431 0.290 1.00 0.00 H new ATOM 0 HA ALA A 26 4.389 -10.829 0.385 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.043 -9.204 -1.381 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.328 -9.639 -1.570 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.775 -8.081 -0.834 1.00 0.00 H new ATOM 395 N ALA A 27 4.913 -7.765 1.454 1.00 0.00 N ATOM 396 CA ALA A 27 5.790 -6.980 2.365 1.00 0.00 C ATOM 397 C ALA A 27 5.812 -7.649 3.740 1.00 0.00 C ATOM 398 O ALA A 27 6.851 -7.908 4.315 1.00 0.00 O ATOM 399 CB ALA A 27 5.104 -5.618 2.442 1.00 0.00 C ATOM 0 H ALA A 27 4.249 -7.213 0.912 1.00 0.00 H new ATOM 0 HA ALA A 27 6.823 -6.906 2.025 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.676 -4.959 3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.048 -5.182 1.445 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.097 -5.740 2.841 1.00 0.00 H new ATOM 405 N VAL A 28 4.654 -7.938 4.247 1.00 0.00 N ATOM 406 CA VAL A 28 4.523 -8.609 5.566 1.00 0.00 C ATOM 407 C VAL A 28 5.547 -9.747 5.655 1.00 0.00 C ATOM 408 O VAL A 28 6.378 -9.788 6.539 1.00 0.00 O ATOM 409 CB VAL A 28 3.069 -9.118 5.543 1.00 0.00 C ATOM 410 CG1 VAL A 28 2.999 -10.640 5.733 1.00 0.00 C ATOM 411 CG2 VAL A 28 2.258 -8.447 6.645 1.00 0.00 C ATOM 0 H VAL A 28 3.766 -7.732 3.790 1.00 0.00 H new ATOM 0 HA VAL A 28 4.715 -7.974 6.431 1.00 0.00 H new ATOM 0 HB VAL A 28 2.654 -8.868 4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.958 -10.962 5.711 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.548 -11.132 4.930 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.441 -10.908 6.693 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.233 -8.815 6.618 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.701 -8.677 7.614 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.260 -7.368 6.492 1.00 0.00 H new ATOM 421 N SER A 29 5.499 -10.656 4.721 1.00 0.00 N ATOM 422 CA SER A 29 6.471 -11.785 4.714 1.00 0.00 C ATOM 423 C SER A 29 7.878 -11.221 4.728 1.00 0.00 C ATOM 424 O SER A 29 8.708 -11.587 5.536 1.00 0.00 O ATOM 425 CB SER A 29 6.198 -12.483 3.401 1.00 0.00 C ATOM 426 OG SER A 29 7.383 -12.529 2.615 1.00 0.00 O ATOM 0 H SER A 29 4.823 -10.665 3.957 1.00 0.00 H new ATOM 0 HA SER A 29 6.376 -12.454 5.569 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.836 -13.494 3.586 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.412 -11.958 2.858 1.00 0.00 H new ATOM 0 HG SER A 29 7.196 -12.984 1.768 1.00 0.00 H new ATOM 432 N ASN A 30 8.133 -10.291 3.851 1.00 0.00 N ATOM 433 CA ASN A 30 9.458 -9.648 3.816 1.00 0.00 C ATOM 434 C ASN A 30 9.710 -8.985 5.166 1.00 0.00 C ATOM 435 O ASN A 30 10.802 -8.541 5.462 1.00 0.00 O ATOM 436 CB ASN A 30 9.304 -8.603 2.723 1.00 0.00 C ATOM 437 CG ASN A 30 9.913 -9.133 1.426 1.00 0.00 C ATOM 438 OD1 ASN A 30 10.992 -8.733 1.038 1.00 0.00 O ATOM 439 ND2 ASN A 30 9.257 -10.024 0.735 1.00 0.00 N ATOM 0 H ASN A 30 7.469 -9.952 3.155 1.00 0.00 H new ATOM 0 HA ASN A 30 10.288 -10.329 3.627 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.250 -8.369 2.574 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.797 -7.677 3.018 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.650 -10.387 -0.134 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.351 -10.358 1.063 1.00 0.00 H new ATOM 446 N GLY A 31 8.693 -8.908 5.983 1.00 0.00 N ATOM 447 CA GLY A 31 8.864 -8.262 7.316 1.00 0.00 C ATOM 448 C GLY A 31 8.567 -6.770 7.183 1.00 0.00 C ATOM 449 O GLY A 31 8.445 -6.062 8.163 1.00 0.00 O ATOM 0 H GLY A 31 7.757 -9.262 5.786 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.193 -8.717 8.044 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.880 -8.413 7.681 1.00 0.00 H new ATOM 453 N ILE A 32 8.442 -6.294 5.972 1.00 0.00 N ATOM 454 CA ILE A 32 8.141 -4.852 5.755 1.00 0.00 C ATOM 455 C ILE A 32 7.128 -4.370 6.784 1.00 0.00 C ATOM 456 O ILE A 32 7.229 -3.279 7.311 1.00 0.00 O ATOM 457 CB ILE A 32 7.526 -4.797 4.358 1.00 0.00 C ATOM 458 CG1 ILE A 32 8.537 -5.328 3.335 1.00 0.00 C ATOM 459 CG2 ILE A 32 7.142 -3.353 4.017 1.00 0.00 C ATOM 460 CD1 ILE A 32 8.194 -4.805 1.937 1.00 0.00 C ATOM 0 H ILE A 32 8.536 -6.847 5.120 1.00 0.00 H new ATOM 0 HA ILE A 32 9.026 -4.223 5.850 1.00 0.00 H new ATOM 0 HB ILE A 32 6.629 -5.416 4.330 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.544 -5.016 3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.529 -6.418 3.336 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.704 -3.319 3.020 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.417 -2.988 4.745 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.032 -2.724 4.044 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.918 -5.188 1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.194 -5.139 1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.225 -3.715 1.938 1.00 0.00 H new ATOM 472 N TYR A 33 6.135 -5.164 7.053 1.00 0.00 N ATOM 473 CA TYR A 33 5.097 -4.729 8.028 1.00 0.00 C ATOM 474 C TYR A 33 5.165 -5.485 9.348 1.00 0.00 C ATOM 475 O TYR A 33 4.193 -6.075 9.777 1.00 0.00 O ATOM 476 CB TYR A 33 3.775 -4.996 7.334 1.00 0.00 C ATOM 477 CG TYR A 33 3.685 -4.069 6.165 1.00 0.00 C ATOM 478 CD1 TYR A 33 3.975 -2.712 6.334 1.00 0.00 C ATOM 479 CD2 TYR A 33 3.336 -4.564 4.913 1.00 0.00 C ATOM 480 CE1 TYR A 33 3.909 -1.843 5.243 1.00 0.00 C ATOM 481 CE2 TYR A 33 3.272 -3.704 3.818 1.00 0.00 C ATOM 482 CZ TYR A 33 3.556 -2.338 3.978 1.00 0.00 C ATOM 483 OH TYR A 33 3.492 -1.486 2.894 1.00 0.00 O ATOM 0 H TYR A 33 5.995 -6.088 6.645 1.00 0.00 H new ATOM 0 HA TYR A 33 5.238 -3.682 8.295 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.717 -6.034 7.006 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.943 -4.832 8.018 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.250 -2.336 7.308 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.115 -5.614 4.789 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.129 -0.794 5.372 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.004 -4.089 2.845 1.00 0.00 H new ATOM 0 HH TYR A 33 3.234 -1.992 2.095 1.00 0.00 H new ATOM 559 N CYS A 39 -4.577 -4.297 11.602 1.00 0.00 N ATOM 560 CA CYS A 39 -5.121 -5.087 10.450 1.00 0.00 C ATOM 561 C CYS A 39 -4.927 -6.583 10.670 1.00 0.00 C ATOM 562 O CYS A 39 -5.762 -7.382 10.296 1.00 0.00 O ATOM 563 CB CYS A 39 -4.295 -4.647 9.259 1.00 0.00 C ATOM 564 SG CYS A 39 -2.534 -4.728 9.685 1.00 0.00 S ATOM 0 HA CYS A 39 -6.190 -4.918 10.319 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.503 -5.287 8.402 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.565 -3.631 8.971 1.00 0.00 H new ATOM 0 HG CYS A 39 -1.829 -4.830 8.598 1.00 0.00 H new ATOM 569 N GLY A 40 -3.824 -6.980 11.245 1.00 0.00 N ATOM 570 CA GLY A 40 -3.593 -8.435 11.440 1.00 0.00 C ATOM 571 C GLY A 40 -3.899 -9.127 10.116 1.00 0.00 C ATOM 572 O GLY A 40 -4.330 -10.261 10.069 1.00 0.00 O ATOM 0 H GLY A 40 -3.083 -6.367 11.584 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.563 -8.623 11.742 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.233 -8.822 12.233 1.00 0.00 H new ATOM 576 N GLY A 41 -3.696 -8.421 9.035 1.00 0.00 N ATOM 577 CA GLY A 41 -3.989 -8.991 7.694 1.00 0.00 C ATOM 578 C GLY A 41 -5.491 -8.882 7.424 1.00 0.00 C ATOM 579 O GLY A 41 -6.080 -9.743 6.801 1.00 0.00 O ATOM 0 H GLY A 41 -3.337 -7.466 9.027 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.429 -8.456 6.927 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.673 -10.033 7.651 1.00 0.00 H new ATOM 583 N SER A 42 -6.122 -7.834 7.894 1.00 0.00 N ATOM 584 CA SER A 42 -7.589 -7.694 7.657 1.00 0.00 C ATOM 585 C SER A 42 -7.977 -6.247 7.339 1.00 0.00 C ATOM 586 O SER A 42 -9.142 -5.925 7.225 1.00 0.00 O ATOM 587 CB SER A 42 -8.249 -8.159 8.953 1.00 0.00 C ATOM 588 OG SER A 42 -8.379 -7.054 9.837 1.00 0.00 O ATOM 0 H SER A 42 -5.689 -7.078 8.425 1.00 0.00 H new ATOM 0 HA SER A 42 -7.909 -8.282 6.797 1.00 0.00 H new ATOM 0 HB2 SER A 42 -9.229 -8.588 8.742 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.651 -8.943 9.418 1.00 0.00 H new ATOM 0 HG SER A 42 -7.510 -6.858 10.245 1.00 0.00 H new ATOM 594 N ALA A 43 -7.019 -5.380 7.170 1.00 0.00 N ATOM 595 CA ALA A 43 -7.334 -3.958 6.827 1.00 0.00 C ATOM 596 C ALA A 43 -7.946 -3.196 7.999 1.00 0.00 C ATOM 597 O ALA A 43 -9.026 -2.647 7.913 1.00 0.00 O ATOM 598 CB ALA A 43 -8.335 -4.028 5.695 1.00 0.00 C ATOM 0 H ALA A 43 -6.025 -5.593 7.254 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.421 -3.425 6.560 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.612 -3.018 5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.891 -4.553 4.849 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.224 -4.563 6.028 1.00 0.00 H new ATOM 604 N SER A 44 -7.247 -3.134 9.074 1.00 0.00 N ATOM 605 CA SER A 44 -7.723 -2.365 10.251 1.00 0.00 C ATOM 606 C SER A 44 -6.556 -1.519 10.757 1.00 0.00 C ATOM 607 O SER A 44 -6.406 -1.310 11.941 1.00 0.00 O ATOM 608 CB SER A 44 -8.127 -3.413 11.286 1.00 0.00 C ATOM 609 OG SER A 44 -8.384 -4.647 10.628 1.00 0.00 O ATOM 0 H SER A 44 -6.344 -3.591 9.199 1.00 0.00 H new ATOM 0 HA SER A 44 -8.559 -1.702 10.031 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.333 -3.539 12.023 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.014 -3.084 11.827 1.00 0.00 H new ATOM 0 HG SER A 44 -8.946 -5.211 11.199 1.00 0.00 H new ATOM 615 N CYS A 45 -5.675 -1.101 9.879 1.00 0.00 N ATOM 616 CA CYS A 45 -4.470 -0.360 10.371 1.00 0.00 C ATOM 617 C CYS A 45 -4.395 1.132 10.015 1.00 0.00 C ATOM 618 O CYS A 45 -4.852 1.599 8.998 1.00 0.00 O ATOM 619 CB CYS A 45 -3.247 -1.115 9.811 1.00 0.00 C ATOM 620 SG CYS A 45 -3.546 -1.720 8.132 1.00 0.00 S ATOM 0 H CYS A 45 -5.734 -1.236 8.870 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.514 -0.345 11.460 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.380 -0.454 9.811 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.008 -1.955 10.463 1.00 0.00 H new ATOM 0 HG CYS A 45 -2.917 -2.844 7.957 1.00 0.00 H new ATOM 625 N ALA A 46 -3.756 1.877 10.868 1.00 0.00 N ATOM 626 CA ALA A 46 -3.564 3.326 10.611 1.00 0.00 C ATOM 627 C ALA A 46 -2.076 3.584 10.341 1.00 0.00 C ATOM 628 O ALA A 46 -1.660 4.701 10.104 1.00 0.00 O ATOM 629 CB ALA A 46 -4.011 4.025 11.895 1.00 0.00 C ATOM 0 H ALA A 46 -3.354 1.539 11.742 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.127 3.687 9.751 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.898 5.103 11.781 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.057 3.789 12.093 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.398 3.682 12.728 1.00 0.00 H new ATOM 635 N THR A 47 -1.265 2.552 10.401 1.00 0.00 N ATOM 636 CA THR A 47 0.200 2.732 10.178 1.00 0.00 C ATOM 637 C THR A 47 0.660 2.103 8.853 1.00 0.00 C ATOM 638 O THR A 47 1.570 2.600 8.219 1.00 0.00 O ATOM 639 CB THR A 47 0.864 2.029 11.360 1.00 0.00 C ATOM 640 OG1 THR A 47 2.251 2.336 11.365 1.00 0.00 O ATOM 641 CG2 THR A 47 0.669 0.518 11.232 1.00 0.00 C ATOM 0 H THR A 47 -1.558 1.594 10.595 1.00 0.00 H new ATOM 0 HA THR A 47 0.464 3.788 10.113 1.00 0.00 H new ATOM 0 HB THR A 47 0.412 2.369 12.292 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.682 1.889 12.123 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.143 0.017 12.076 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.396 0.288 11.225 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.121 0.170 10.303 1.00 0.00 H new ATOM 649 N CYS A 48 0.053 1.026 8.411 1.00 0.00 N ATOM 650 CA CYS A 48 0.505 0.426 7.116 1.00 0.00 C ATOM 651 C CYS A 48 0.021 1.274 5.937 1.00 0.00 C ATOM 652 O CYS A 48 0.158 0.888 4.796 1.00 0.00 O ATOM 653 CB CYS A 48 -0.089 -0.983 7.015 1.00 0.00 C ATOM 654 SG CYS A 48 -0.170 -1.812 8.618 1.00 0.00 S ATOM 0 H CYS A 48 -0.717 0.547 8.878 1.00 0.00 H new ATOM 0 HA CYS A 48 1.594 0.388 7.085 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.091 -0.923 6.589 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.513 -1.580 6.330 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.398 -2.162 8.864 1.00 0.00 H new ATOM 659 N HIS A 49 -0.536 2.429 6.187 1.00 0.00 N ATOM 660 CA HIS A 49 -0.997 3.268 5.051 1.00 0.00 C ATOM 661 C HIS A 49 0.092 3.312 3.982 1.00 0.00 C ATOM 662 O HIS A 49 1.265 3.397 4.288 1.00 0.00 O ATOM 663 CB HIS A 49 -1.226 4.663 5.629 1.00 0.00 C ATOM 664 CG HIS A 49 -1.851 5.519 4.567 1.00 0.00 C ATOM 665 ND1 HIS A 49 -1.872 6.903 4.638 1.00 0.00 N ATOM 666 CD2 HIS A 49 -2.491 5.194 3.400 1.00 0.00 C ATOM 667 CE1 HIS A 49 -2.513 7.351 3.541 1.00 0.00 C ATOM 668 NE2 HIS A 49 -2.903 6.348 2.754 1.00 0.00 N ATOM 0 H HIS A 49 -0.689 2.821 7.116 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.904 2.876 4.591 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.875 4.609 6.503 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.282 5.097 5.959 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -1.476 7.476 5.383 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.650 4.189 3.038 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -2.689 8.395 3.326 1.00 0.00 H new ATOM 676 N VAL A 50 -0.276 3.261 2.736 1.00 0.00 N ATOM 677 CA VAL A 50 0.748 3.303 1.667 1.00 0.00 C ATOM 678 C VAL A 50 0.206 4.065 0.475 1.00 0.00 C ATOM 679 O VAL A 50 -0.986 4.209 0.297 1.00 0.00 O ATOM 680 CB VAL A 50 1.007 1.855 1.272 1.00 0.00 C ATOM 681 CG1 VAL A 50 1.767 1.135 2.386 1.00 0.00 C ATOM 682 CG2 VAL A 50 -0.332 1.169 1.014 1.00 0.00 C ATOM 0 H VAL A 50 -1.241 3.192 2.414 1.00 0.00 H new ATOM 0 HA VAL A 50 1.660 3.797 2.003 1.00 0.00 H new ATOM 0 HB VAL A 50 1.614 1.822 0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.947 0.100 2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.720 1.635 2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.176 1.156 3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.160 0.131 0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.938 1.202 1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.855 1.684 0.208 1.00 0.00 H new ATOM 692 N TYR A 51 1.083 4.533 -0.341 1.00 0.00 N ATOM 693 CA TYR A 51 0.667 5.291 -1.547 1.00 0.00 C ATOM 694 C TYR A 51 1.143 4.549 -2.796 1.00 0.00 C ATOM 695 O TYR A 51 2.317 4.313 -2.982 1.00 0.00 O ATOM 696 CB TYR A 51 1.371 6.639 -1.406 1.00 0.00 C ATOM 697 CG TYR A 51 0.581 7.575 -0.502 1.00 0.00 C ATOM 698 CD1 TYR A 51 -0.657 7.186 0.046 1.00 0.00 C ATOM 699 CD2 TYR A 51 1.075 8.866 -0.244 1.00 0.00 C ATOM 700 CE1 TYR A 51 -1.387 8.083 0.836 1.00 0.00 C ATOM 701 CE2 TYR A 51 0.343 9.756 0.551 1.00 0.00 C ATOM 702 CZ TYR A 51 -0.889 9.368 1.086 1.00 0.00 C ATOM 703 OH TYR A 51 -1.612 10.249 1.865 1.00 0.00 O ATOM 0 H TYR A 51 2.091 4.425 -0.229 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.413 5.407 -1.637 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.370 6.490 -0.997 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.493 7.094 -2.389 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.044 6.195 -0.143 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.023 9.172 -0.661 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.337 7.783 1.254 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.731 10.744 0.751 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.124 11.096 1.940 1.00 0.00 H new ATOM 713 N VAL A 52 0.236 4.172 -3.648 1.00 0.00 N ATOM 714 CA VAL A 52 0.643 3.430 -4.886 1.00 0.00 C ATOM 715 C VAL A 52 1.059 4.438 -5.978 1.00 0.00 C ATOM 716 O VAL A 52 0.819 5.622 -5.843 1.00 0.00 O ATOM 717 CB VAL A 52 -0.599 2.634 -5.314 1.00 0.00 C ATOM 718 CG1 VAL A 52 -0.245 1.696 -6.479 1.00 0.00 C ATOM 719 CG2 VAL A 52 -1.099 1.796 -4.132 1.00 0.00 C ATOM 0 H VAL A 52 -0.765 4.340 -3.549 1.00 0.00 H new ATOM 0 HA VAL A 52 1.493 2.769 -4.717 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.375 3.330 -5.632 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.131 1.135 -6.777 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.113 2.284 -7.324 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.535 1.002 -6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.980 1.230 -4.434 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.316 1.106 -3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.357 2.454 -3.303 1.00 0.00 H new ATOM 729 N ASN A 53 1.678 4.005 -7.059 1.00 0.00 N ATOM 730 CA ASN A 53 2.078 4.990 -8.110 1.00 0.00 C ATOM 731 C ASN A 53 0.872 5.341 -8.996 1.00 0.00 C ATOM 732 O ASN A 53 -0.223 5.495 -8.506 1.00 0.00 O ATOM 733 CB ASN A 53 3.223 4.336 -8.900 1.00 0.00 C ATOM 734 CG ASN A 53 2.910 2.875 -9.219 1.00 0.00 C ATOM 735 OD1 ASN A 53 1.910 2.339 -8.784 1.00 0.00 O ATOM 736 ND2 ASN A 53 3.745 2.204 -9.966 1.00 0.00 N ATOM 0 H ASN A 53 1.917 3.032 -7.252 1.00 0.00 H new ATOM 0 HA ASN A 53 2.417 5.934 -7.683 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.389 4.886 -9.826 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.146 4.395 -8.324 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.559 1.226 -10.187 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.583 2.658 -10.329 1.00 0.00 H new ATOM 743 N GLU A 54 1.051 5.521 -10.279 1.00 0.00 N ATOM 744 CA GLU A 54 -0.113 5.907 -11.134 1.00 0.00 C ATOM 745 C GLU A 54 -0.692 4.733 -11.944 1.00 0.00 C ATOM 746 O GLU A 54 -1.850 4.750 -12.307 1.00 0.00 O ATOM 747 CB GLU A 54 0.441 6.974 -12.079 1.00 0.00 C ATOM 748 CG GLU A 54 1.690 6.436 -12.778 1.00 0.00 C ATOM 749 CD GLU A 54 2.918 7.216 -12.305 1.00 0.00 C ATOM 750 OE1 GLU A 54 2.782 8.404 -12.061 1.00 0.00 O ATOM 751 OE2 GLU A 54 3.972 6.613 -12.195 1.00 0.00 O ATOM 0 H GLU A 54 1.941 5.419 -10.768 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.940 6.256 -10.515 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.313 7.248 -12.817 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.684 7.878 -11.521 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.814 5.375 -12.559 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.582 6.528 -13.859 1.00 0.00 H new ATOM 758 N ALA A 55 0.093 3.744 -12.285 1.00 0.00 N ATOM 759 CA ALA A 55 -0.457 2.633 -13.131 1.00 0.00 C ATOM 760 C ALA A 55 -0.828 1.380 -12.323 1.00 0.00 C ATOM 761 O ALA A 55 -0.882 0.293 -12.862 1.00 0.00 O ATOM 762 CB ALA A 55 0.662 2.309 -14.119 1.00 0.00 C ATOM 0 H ALA A 55 1.074 3.654 -12.022 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.385 2.944 -13.610 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.342 1.503 -14.779 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.891 3.194 -14.712 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.552 1.999 -13.572 1.00 0.00 H new ATOM 768 N PHE A 56 -1.098 1.506 -11.056 1.00 0.00 N ATOM 769 CA PHE A 56 -1.482 0.293 -10.263 1.00 0.00 C ATOM 770 C PHE A 56 -2.602 0.621 -9.267 1.00 0.00 C ATOM 771 O PHE A 56 -3.313 -0.254 -8.813 1.00 0.00 O ATOM 772 CB PHE A 56 -0.200 -0.150 -9.557 1.00 0.00 C ATOM 773 CG PHE A 56 0.845 -0.410 -10.616 1.00 0.00 C ATOM 774 CD1 PHE A 56 1.590 0.670 -11.099 1.00 0.00 C ATOM 775 CD2 PHE A 56 1.057 -1.703 -11.151 1.00 0.00 C ATOM 776 CE1 PHE A 56 2.535 0.479 -12.111 1.00 0.00 C ATOM 777 CE2 PHE A 56 2.011 -1.884 -12.157 1.00 0.00 C ATOM 778 CZ PHE A 56 2.744 -0.796 -12.640 1.00 0.00 C ATOM 0 H PHE A 56 -1.072 2.382 -10.534 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.878 -0.503 -10.894 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.141 0.620 -8.865 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.379 -1.050 -8.969 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.435 1.657 -10.688 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.486 -2.544 -10.785 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.104 1.318 -12.484 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.183 -2.870 -12.563 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.473 -0.942 -13.423 1.00 0.00 H new ATOM 788 N THR A 57 -2.791 1.873 -8.950 1.00 0.00 N ATOM 789 CA THR A 57 -3.896 2.248 -8.015 1.00 0.00 C ATOM 790 C THR A 57 -5.201 2.300 -8.817 1.00 0.00 C ATOM 791 O THR A 57 -6.195 1.700 -8.458 1.00 0.00 O ATOM 792 CB THR A 57 -3.569 3.645 -7.437 1.00 0.00 C ATOM 793 OG1 THR A 57 -4.436 4.608 -8.021 1.00 0.00 O ATOM 794 CG2 THR A 57 -2.117 4.041 -7.722 1.00 0.00 C ATOM 0 H THR A 57 -2.231 2.652 -9.296 1.00 0.00 H new ATOM 0 HA THR A 57 -4.000 1.529 -7.203 1.00 0.00 H new ATOM 0 HB THR A 57 -3.710 3.608 -6.357 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.247 4.691 -7.477 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.920 5.028 -7.303 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.445 3.313 -7.267 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.951 4.065 -8.799 1.00 0.00 H new ATOM 802 N ASP A 58 -5.184 3.010 -9.921 1.00 0.00 N ATOM 803 CA ASP A 58 -6.413 3.099 -10.783 1.00 0.00 C ATOM 804 C ASP A 58 -6.724 1.713 -11.346 1.00 0.00 C ATOM 805 O ASP A 58 -7.807 1.448 -11.827 1.00 0.00 O ATOM 806 CB ASP A 58 -6.136 4.083 -11.949 1.00 0.00 C ATOM 807 CG ASP A 58 -4.730 4.687 -11.889 1.00 0.00 C ATOM 808 OD1 ASP A 58 -4.324 5.094 -10.812 1.00 0.00 O ATOM 809 OD2 ASP A 58 -4.085 4.735 -12.923 1.00 0.00 O ATOM 0 H ASP A 58 -4.377 3.531 -10.264 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.261 3.454 -10.197 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.263 3.561 -12.898 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.873 4.885 -11.925 1.00 0.00 H new ATOM 814 N LYS A 59 -5.775 0.827 -11.270 1.00 0.00 N ATOM 815 CA LYS A 59 -5.980 -0.560 -11.772 1.00 0.00 C ATOM 816 C LYS A 59 -6.756 -1.339 -10.749 1.00 0.00 C ATOM 817 O LYS A 59 -7.763 -1.969 -11.001 1.00 0.00 O ATOM 818 CB LYS A 59 -4.583 -1.168 -11.790 1.00 0.00 C ATOM 819 CG LYS A 59 -3.582 -0.181 -12.400 1.00 0.00 C ATOM 820 CD LYS A 59 -4.193 0.482 -13.639 1.00 0.00 C ATOM 821 CE LYS A 59 -3.172 0.474 -14.779 1.00 0.00 C ATOM 822 NZ LYS A 59 -3.785 -0.377 -15.837 1.00 0.00 N ATOM 0 H LYS A 59 -4.852 1.006 -10.876 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.494 -0.573 -12.733 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.278 -1.426 -10.776 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.589 -2.093 -12.366 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.313 0.578 -11.666 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.664 -0.702 -12.671 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.095 -0.050 -13.941 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.488 1.506 -13.408 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.981 1.483 -15.145 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.216 0.068 -14.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.143 -0.431 -16.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.949 -1.333 -15.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.691 0.038 -16.135 1.00 0.00 H new ATOM 836 N VAL A 60 -6.214 -1.302 -9.590 1.00 0.00 N ATOM 837 CA VAL A 60 -6.760 -2.023 -8.443 1.00 0.00 C ATOM 838 C VAL A 60 -7.973 -1.276 -7.876 1.00 0.00 C ATOM 839 O VAL A 60 -7.981 -0.063 -7.805 1.00 0.00 O ATOM 840 CB VAL A 60 -5.540 -2.020 -7.526 1.00 0.00 C ATOM 841 CG1 VAL A 60 -5.618 -0.877 -6.526 1.00 0.00 C ATOM 842 CG2 VAL A 60 -5.414 -3.363 -6.841 1.00 0.00 C ATOM 0 H VAL A 60 -5.368 -0.772 -9.381 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.149 -3.024 -8.632 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.642 -1.858 -8.122 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.738 -0.895 -5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.657 0.072 -7.061 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.515 -0.987 -5.916 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.542 -3.358 -6.187 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.309 -3.555 -6.250 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.300 -4.145 -7.592 1.00 0.00 H new ATOM 852 N PRO A 61 -8.968 -2.036 -7.512 1.00 0.00 N ATOM 853 CA PRO A 61 -10.220 -1.455 -6.968 1.00 0.00 C ATOM 854 C PRO A 61 -10.000 -0.788 -5.625 1.00 0.00 C ATOM 855 O PRO A 61 -9.017 -1.002 -4.945 1.00 0.00 O ATOM 856 CB PRO A 61 -11.155 -2.650 -6.844 1.00 0.00 C ATOM 857 CG PRO A 61 -10.248 -3.837 -6.755 1.00 0.00 C ATOM 858 CD PRO A 61 -9.019 -3.501 -7.562 1.00 0.00 C ATOM 0 HA PRO A 61 -10.620 -0.669 -7.609 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.787 -2.568 -5.960 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.819 -2.723 -7.705 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.985 -4.047 -5.718 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.737 -4.729 -7.147 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.122 -3.949 -7.134 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.099 -3.865 -8.586 1.00 0.00 H new ATOM 866 N ALA A 62 -10.929 0.035 -5.261 1.00 0.00 N ATOM 867 CA ALA A 62 -10.843 0.769 -3.985 1.00 0.00 C ATOM 868 C ALA A 62 -11.285 -0.118 -2.826 1.00 0.00 C ATOM 869 O ALA A 62 -11.527 -1.298 -2.981 1.00 0.00 O ATOM 870 CB ALA A 62 -11.802 1.934 -4.184 1.00 0.00 C ATOM 0 H ALA A 62 -11.765 0.234 -5.810 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.832 1.094 -3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.816 2.551 -3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.474 2.535 -5.032 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.804 1.551 -4.377 1.00 0.00 H new ATOM 876 N ALA A 63 -11.381 0.451 -1.665 1.00 0.00 N ATOM 877 CA ALA A 63 -11.799 -0.337 -0.472 1.00 0.00 C ATOM 878 C ALA A 63 -13.193 0.088 0.003 1.00 0.00 C ATOM 879 O ALA A 63 -13.886 0.836 -0.657 1.00 0.00 O ATOM 880 CB ALA A 63 -10.752 -0.013 0.587 1.00 0.00 C ATOM 0 H ALA A 63 -11.187 1.436 -1.485 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.860 -1.404 -0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.983 -0.554 1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.767 -0.312 0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.756 1.059 0.787 1.00 0.00 H new ATOM 886 N ASN A 64 -13.600 -0.385 1.151 1.00 0.00 N ATOM 887 CA ASN A 64 -14.948 -0.007 1.684 1.00 0.00 C ATOM 888 C ASN A 64 -14.821 1.088 2.750 1.00 0.00 C ATOM 889 O ASN A 64 -13.800 1.734 2.873 1.00 0.00 O ATOM 890 CB ASN A 64 -15.544 -1.287 2.294 1.00 0.00 C ATOM 891 CG ASN A 64 -14.458 -2.118 2.987 1.00 0.00 C ATOM 892 OD1 ASN A 64 -14.441 -3.327 2.872 1.00 0.00 O ATOM 893 ND2 ASN A 64 -13.547 -1.522 3.707 1.00 0.00 N ATOM 0 H ASN A 64 -13.061 -1.016 1.744 1.00 0.00 H new ATOM 0 HA ASN A 64 -15.586 0.390 0.895 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.321 -1.025 3.012 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -16.019 -1.880 1.513 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.824 -2.071 4.171 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -13.558 -0.507 3.806 1.00 0.00 H new ATOM 900 N GLU A 65 -15.857 1.300 3.523 1.00 0.00 N ATOM 901 CA GLU A 65 -15.808 2.351 4.583 1.00 0.00 C ATOM 902 C GLU A 65 -14.707 2.035 5.601 1.00 0.00 C ATOM 903 O GLU A 65 -14.216 2.911 6.284 1.00 0.00 O ATOM 904 CB GLU A 65 -17.185 2.303 5.248 1.00 0.00 C ATOM 905 CG GLU A 65 -17.284 1.058 6.132 1.00 0.00 C ATOM 906 CD GLU A 65 -18.648 0.396 5.929 1.00 0.00 C ATOM 907 OE1 GLU A 65 -19.582 0.787 6.610 1.00 0.00 O ATOM 908 OE2 GLU A 65 -18.736 -0.492 5.096 1.00 0.00 O ATOM 0 H GLU A 65 -16.737 0.788 3.464 1.00 0.00 H new ATOM 0 HA GLU A 65 -15.583 3.337 4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -17.343 3.200 5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -17.967 2.285 4.488 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -16.487 0.357 5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -17.152 1.331 7.179 1.00 0.00 H new ATOM 915 N ARG A 66 -14.302 0.798 5.698 1.00 0.00 N ATOM 916 CA ARG A 66 -13.217 0.453 6.664 1.00 0.00 C ATOM 917 C ARG A 66 -11.934 1.154 6.245 1.00 0.00 C ATOM 918 O ARG A 66 -11.361 1.924 6.987 1.00 0.00 O ATOM 919 CB ARG A 66 -13.018 -1.058 6.552 1.00 0.00 C ATOM 920 CG ARG A 66 -13.157 -1.691 7.934 1.00 0.00 C ATOM 921 CD ARG A 66 -13.090 -3.214 7.805 1.00 0.00 C ATOM 922 NE ARG A 66 -14.237 -3.576 6.928 1.00 0.00 N ATOM 923 CZ ARG A 66 -14.032 -4.251 5.830 1.00 0.00 C ATOM 924 NH1 ARG A 66 -12.959 -4.034 5.121 1.00 0.00 N ATOM 925 NH2 ARG A 66 -14.901 -5.145 5.442 1.00 0.00 N ATOM 0 H ARG A 66 -14.671 0.017 5.156 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.469 0.756 7.680 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.754 -1.483 5.869 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.034 -1.277 6.137 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.363 -1.335 8.590 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.103 -1.395 8.388 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -12.143 -3.532 7.368 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.170 -3.697 8.779 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.184 -3.296 7.185 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.280 -3.336 5.425 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.799 -4.562 4.263 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.740 -5.316 5.997 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.741 -5.673 4.584 1.00 0.00 H new ATOM 939 N GLU A 67 -11.489 0.896 5.049 1.00 0.00 N ATOM 940 CA GLU A 67 -10.239 1.527 4.549 1.00 0.00 C ATOM 941 C GLU A 67 -10.338 3.060 4.528 1.00 0.00 C ATOM 942 O GLU A 67 -9.420 3.726 4.117 1.00 0.00 O ATOM 943 CB GLU A 67 -10.088 0.978 3.131 1.00 0.00 C ATOM 944 CG GLU A 67 -9.139 1.861 2.317 1.00 0.00 C ATOM 945 CD GLU A 67 -7.784 1.954 3.021 1.00 0.00 C ATOM 946 OE1 GLU A 67 -7.639 1.359 4.076 1.00 0.00 O ATOM 947 OE2 GLU A 67 -6.911 2.616 2.489 1.00 0.00 O ATOM 0 H GLU A 67 -11.945 0.266 4.388 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.386 1.301 5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.705 -0.042 3.168 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.063 0.935 2.645 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.011 1.448 1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.566 2.857 2.198 1.00 0.00 H new ATOM 954 N ILE A 68 -11.432 3.631 4.947 1.00 0.00 N ATOM 955 CA ILE A 68 -11.540 5.117 4.931 1.00 0.00 C ATOM 956 C ILE A 68 -11.059 5.700 6.272 1.00 0.00 C ATOM 957 O ILE A 68 -10.404 6.724 6.311 1.00 0.00 O ATOM 958 CB ILE A 68 -13.032 5.394 4.719 1.00 0.00 C ATOM 959 CG1 ILE A 68 -13.587 4.445 3.654 1.00 0.00 C ATOM 960 CG2 ILE A 68 -13.236 6.834 4.258 1.00 0.00 C ATOM 961 CD1 ILE A 68 -12.651 4.429 2.443 1.00 0.00 C ATOM 0 H ILE A 68 -12.252 3.137 5.298 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.926 5.574 4.155 1.00 0.00 H new ATOM 0 HB ILE A 68 -13.556 5.237 5.662 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.685 3.440 4.064 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -14.584 4.765 3.351 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.300 7.021 4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.849 7.517 5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.705 6.994 3.320 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -13.048 3.753 1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -12.575 5.434 2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -11.663 4.089 2.752 1.00 0.00 H new ATOM 973 N GLY A 69 -11.382 5.060 7.371 1.00 0.00 N ATOM 974 CA GLY A 69 -10.946 5.583 8.707 1.00 0.00 C ATOM 975 C GLY A 69 -9.514 5.129 9.001 1.00 0.00 C ATOM 976 O GLY A 69 -8.619 5.936 9.159 1.00 0.00 O ATOM 0 H GLY A 69 -11.928 4.199 7.401 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.001 6.672 8.717 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.618 5.223 9.486 1.00 0.00 H new ATOM 980 N MET A 70 -9.285 3.846 9.059 1.00 0.00 N ATOM 981 CA MET A 70 -7.900 3.347 9.325 1.00 0.00 C ATOM 982 C MET A 70 -6.933 4.085 8.417 1.00 0.00 C ATOM 983 O MET A 70 -5.871 4.519 8.815 1.00 0.00 O ATOM 984 CB MET A 70 -7.906 1.876 8.902 1.00 0.00 C ATOM 985 CG MET A 70 -8.665 1.714 7.580 1.00 0.00 C ATOM 986 SD MET A 70 -9.461 0.101 7.552 1.00 0.00 S ATOM 987 CE MET A 70 -8.107 -0.696 6.691 1.00 0.00 C ATOM 0 H MET A 70 -9.992 3.121 8.935 1.00 0.00 H new ATOM 0 HA MET A 70 -7.610 3.487 10.366 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.883 1.517 8.790 1.00 0.00 H new ATOM 0 HB3 MET A 70 -8.374 1.268 9.676 1.00 0.00 H new ATOM 0 HG2 MET A 70 -9.410 2.503 7.475 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.979 1.809 6.738 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.496 -1.502 6.069 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.596 0.033 6.062 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.404 -1.105 7.417 1.00 0.00 H new ATOM 997 N LEU A 71 -7.319 4.223 7.191 1.00 0.00 N ATOM 998 CA LEU A 71 -6.481 4.923 6.199 1.00 0.00 C ATOM 999 C LEU A 71 -6.527 6.423 6.497 1.00 0.00 C ATOM 1000 O LEU A 71 -5.557 7.127 6.328 1.00 0.00 O ATOM 1001 CB LEU A 71 -7.175 4.567 4.887 1.00 0.00 C ATOM 1002 CG LEU A 71 -6.331 4.941 3.656 1.00 0.00 C ATOM 1003 CD1 LEU A 71 -7.269 5.330 2.517 1.00 0.00 C ATOM 1004 CD2 LEU A 71 -5.425 6.137 3.933 1.00 0.00 C ATOM 0 H LEU A 71 -8.204 3.870 6.826 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.426 4.650 6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.385 3.498 4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.135 5.081 4.836 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.714 4.079 3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.683 5.597 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.919 4.488 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.877 6.182 2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.846 6.369 3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.034 6.999 4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.747 5.898 4.753 1.00 0.00 H new ATOM 1016 N GLU A 72 -7.644 6.914 6.962 1.00 0.00 N ATOM 1017 CA GLU A 72 -7.731 8.366 7.289 1.00 0.00 C ATOM 1018 C GLU A 72 -6.887 8.668 8.529 1.00 0.00 C ATOM 1019 O GLU A 72 -6.489 9.792 8.761 1.00 0.00 O ATOM 1020 CB GLU A 72 -9.211 8.635 7.571 1.00 0.00 C ATOM 1021 CG GLU A 72 -9.353 9.941 8.360 1.00 0.00 C ATOM 1022 CD GLU A 72 -10.414 10.824 7.702 1.00 0.00 C ATOM 1023 OE1 GLU A 72 -10.090 11.475 6.723 1.00 0.00 O ATOM 1024 OE2 GLU A 72 -11.533 10.834 8.187 1.00 0.00 O ATOM 0 H GLU A 72 -8.495 6.377 7.129 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.358 8.993 6.479 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.764 8.702 6.634 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.640 7.808 8.136 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.633 9.726 9.391 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.398 10.465 8.391 1.00 0.00 H new ATOM 1031 N CYS A 73 -6.602 7.675 9.325 1.00 0.00 N ATOM 1032 CA CYS A 73 -5.779 7.927 10.538 1.00 0.00 C ATOM 1033 C CYS A 73 -4.545 8.729 10.134 1.00 0.00 C ATOM 1034 O CYS A 73 -3.960 9.439 10.926 1.00 0.00 O ATOM 1035 CB CYS A 73 -5.384 6.543 11.051 1.00 0.00 C ATOM 1036 SG CYS A 73 -6.875 5.613 11.486 1.00 0.00 S ATOM 0 H CYS A 73 -6.901 6.709 9.189 1.00 0.00 H new ATOM 0 HA CYS A 73 -6.308 8.493 11.305 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.819 6.008 10.288 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.735 6.638 11.921 1.00 0.00 H new ATOM 0 HG CYS A 73 -7.841 5.940 10.680 1.00 0.00 H new ATOM 1042 N VAL A 74 -4.162 8.629 8.892 1.00 0.00 N ATOM 1043 CA VAL A 74 -2.984 9.394 8.409 1.00 0.00 C ATOM 1044 C VAL A 74 -3.433 10.760 7.884 1.00 0.00 C ATOM 1045 O VAL A 74 -3.530 10.966 6.696 1.00 0.00 O ATOM 1046 CB VAL A 74 -2.405 8.551 7.276 1.00 0.00 C ATOM 1047 CG1 VAL A 74 -2.115 7.137 7.783 1.00 0.00 C ATOM 1048 CG2 VAL A 74 -3.412 8.484 6.129 1.00 0.00 C ATOM 0 H VAL A 74 -4.618 8.047 8.189 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.252 9.575 9.196 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.479 9.005 6.924 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.702 6.537 6.972 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.397 7.184 8.602 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.039 6.681 8.137 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.001 7.882 5.318 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.338 8.031 6.484 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.617 9.491 5.765 1.00 0.00 H new ATOM 1058 N THR A 75 -3.720 11.676 8.772 1.00 0.00 N ATOM 1059 CA THR A 75 -4.174 13.049 8.371 1.00 0.00 C ATOM 1060 C THR A 75 -3.230 13.684 7.339 1.00 0.00 C ATOM 1061 O THR A 75 -2.565 14.661 7.620 1.00 0.00 O ATOM 1062 CB THR A 75 -4.095 13.845 9.668 1.00 0.00 C ATOM 1063 OG1 THR A 75 -4.633 15.144 9.460 1.00 0.00 O ATOM 1064 CG2 THR A 75 -2.625 13.952 10.086 1.00 0.00 C ATOM 0 H THR A 75 -3.659 11.531 9.780 1.00 0.00 H new ATOM 0 HA THR A 75 -5.164 13.028 7.915 1.00 0.00 H new ATOM 0 HB THR A 75 -4.667 13.347 10.451 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.071 15.633 8.823 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.551 14.520 11.014 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.216 12.953 10.238 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.060 14.460 9.304 1.00 0.00 H new ATOM 1072 N ALA A 76 -3.156 13.145 6.162 1.00 0.00 N ATOM 1073 CA ALA A 76 -2.251 13.723 5.135 1.00 0.00 C ATOM 1074 C ALA A 76 -2.993 13.907 3.813 1.00 0.00 C ATOM 1075 O ALA A 76 -2.548 13.446 2.782 1.00 0.00 O ATOM 1076 CB ALA A 76 -1.131 12.697 4.998 1.00 0.00 C ATOM 0 H ALA A 76 -3.684 12.325 5.863 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.874 14.708 5.412 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.411 13.041 4.256 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.631 12.574 5.959 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.549 11.742 4.681 1.00 0.00 H new ATOM 1082 N GLU A 77 -4.124 14.563 3.839 1.00 0.00 N ATOM 1083 CA GLU A 77 -4.910 14.774 2.585 1.00 0.00 C ATOM 1084 C GLU A 77 -4.856 13.521 1.713 1.00 0.00 C ATOM 1085 O GLU A 77 -4.393 13.550 0.592 1.00 0.00 O ATOM 1086 CB GLU A 77 -4.290 15.996 1.884 1.00 0.00 C ATOM 1087 CG GLU A 77 -2.867 15.695 1.395 1.00 0.00 C ATOM 1088 CD GLU A 77 -1.859 16.083 2.479 1.00 0.00 C ATOM 1089 OE1 GLU A 77 -1.962 17.187 2.988 1.00 0.00 O ATOM 1090 OE2 GLU A 77 -1.000 15.271 2.781 1.00 0.00 O ATOM 0 H GLU A 77 -4.540 14.964 4.679 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.965 14.957 2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.913 16.288 1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.269 16.841 2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.770 14.636 1.156 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.662 16.248 0.479 1.00 0.00 H new ATOM 1097 N LEU A 78 -5.336 12.427 2.249 1.00 0.00 N ATOM 1098 CA LEU A 78 -5.349 11.125 1.513 1.00 0.00 C ATOM 1099 C LEU A 78 -5.296 11.322 -0.002 1.00 0.00 C ATOM 1100 O LEU A 78 -5.908 12.219 -0.546 1.00 0.00 O ATOM 1101 CB LEU A 78 -6.669 10.489 1.915 1.00 0.00 C ATOM 1102 CG LEU A 78 -6.410 9.058 2.379 1.00 0.00 C ATOM 1103 CD1 LEU A 78 -5.399 9.068 3.526 1.00 0.00 C ATOM 1104 CD2 LEU A 78 -7.717 8.438 2.858 1.00 0.00 C ATOM 0 H LEU A 78 -5.729 12.381 3.189 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.481 10.514 1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.137 11.065 2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.361 10.492 1.073 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.011 8.473 1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.214 8.046 3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.465 9.513 3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.796 9.652 4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.535 7.416 3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.115 9.023 3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.438 8.431 2.040 1.00 0.00 H new ATOM 1116 N LYS A 79 -4.574 10.481 -0.688 1.00 0.00 N ATOM 1117 CA LYS A 79 -4.483 10.617 -2.168 1.00 0.00 C ATOM 1118 C LYS A 79 -5.590 9.785 -2.813 1.00 0.00 C ATOM 1119 O LYS A 79 -6.226 8.987 -2.151 1.00 0.00 O ATOM 1120 CB LYS A 79 -3.101 10.062 -2.558 1.00 0.00 C ATOM 1121 CG LYS A 79 -2.050 10.397 -1.488 1.00 0.00 C ATOM 1122 CD LYS A 79 -0.961 11.269 -2.098 1.00 0.00 C ATOM 1123 CE LYS A 79 -1.071 12.673 -1.517 1.00 0.00 C ATOM 1124 NZ LYS A 79 -0.324 13.546 -2.464 1.00 0.00 N ATOM 0 H LYS A 79 -4.044 9.707 -0.289 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.599 11.649 -2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.162 8.981 -2.687 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.795 10.480 -3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.520 10.916 -0.652 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.616 9.480 -1.091 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.022 10.849 -1.885 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.066 11.300 -3.182 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.112 12.984 -1.432 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.642 12.720 -0.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.356 14.530 -2.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.666 13.231 -2.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.759 13.487 -3.407 1.00 0.00 H new ATOM 1138 N PRO A 80 -5.780 9.980 -4.086 1.00 0.00 N ATOM 1139 CA PRO A 80 -6.816 9.213 -4.816 1.00 0.00 C ATOM 1140 C PRO A 80 -6.410 7.744 -4.874 1.00 0.00 C ATOM 1141 O PRO A 80 -7.235 6.857 -4.972 1.00 0.00 O ATOM 1142 CB PRO A 80 -6.813 9.841 -6.206 1.00 0.00 C ATOM 1143 CG PRO A 80 -5.460 10.460 -6.343 1.00 0.00 C ATOM 1144 CD PRO A 80 -5.061 10.909 -4.964 1.00 0.00 C ATOM 0 HA PRO A 80 -7.801 9.247 -4.351 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.985 9.092 -6.979 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.601 10.587 -6.304 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.743 9.743 -6.741 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.486 11.302 -7.034 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.983 10.848 -4.817 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -5.350 11.943 -4.778 1.00 0.00 H new ATOM 1152 N ASN A 81 -5.137 7.490 -4.810 1.00 0.00 N ATOM 1153 CA ASN A 81 -4.646 6.084 -4.858 1.00 0.00 C ATOM 1154 C ASN A 81 -4.192 5.614 -3.471 1.00 0.00 C ATOM 1155 O ASN A 81 -3.864 4.460 -3.280 1.00 0.00 O ATOM 1156 CB ASN A 81 -3.461 6.107 -5.820 1.00 0.00 C ATOM 1157 CG ASN A 81 -2.524 7.264 -5.468 1.00 0.00 C ATOM 1158 OD1 ASN A 81 -2.775 8.001 -4.534 1.00 0.00 O ATOM 1159 ND2 ASN A 81 -1.448 7.456 -6.180 1.00 0.00 N ATOM 0 H ASN A 81 -4.408 8.199 -4.726 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.428 5.397 -5.181 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.921 5.162 -5.767 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.816 6.215 -6.845 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.817 8.225 -5.953 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.238 6.838 -6.963 1.00 0.00 H new ATOM 1166 N SER A 82 -4.157 6.489 -2.500 1.00 0.00 N ATOM 1167 CA SER A 82 -3.710 6.067 -1.140 1.00 0.00 C ATOM 1168 C SER A 82 -4.428 4.796 -0.696 1.00 0.00 C ATOM 1169 O SER A 82 -5.512 4.487 -1.151 1.00 0.00 O ATOM 1170 CB SER A 82 -4.117 7.224 -0.237 1.00 0.00 C ATOM 1171 OG SER A 82 -3.412 8.385 -0.635 1.00 0.00 O ATOM 0 H SER A 82 -4.417 7.471 -2.589 1.00 0.00 H new ATOM 0 HA SER A 82 -2.642 5.851 -1.112 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.192 7.394 -0.303 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.895 6.986 0.803 1.00 0.00 H new ATOM 0 HG SER A 82 -2.816 8.670 0.089 1.00 0.00 H new ATOM 1177 N ARG A 83 -3.831 4.061 0.201 1.00 0.00 N ATOM 1178 CA ARG A 83 -4.477 2.814 0.689 1.00 0.00 C ATOM 1179 C ARG A 83 -3.659 2.184 1.814 1.00 0.00 C ATOM 1180 O ARG A 83 -2.479 2.428 1.959 1.00 0.00 O ATOM 1181 CB ARG A 83 -4.518 1.876 -0.515 1.00 0.00 C ATOM 1182 CG ARG A 83 -5.959 1.490 -0.806 1.00 0.00 C ATOM 1183 CD ARG A 83 -6.056 0.938 -2.226 1.00 0.00 C ATOM 1184 NE ARG A 83 -7.189 1.682 -2.807 1.00 0.00 N ATOM 1185 CZ ARG A 83 -7.302 1.811 -4.100 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -7.346 0.751 -4.859 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -7.370 3.000 -4.634 1.00 0.00 N ATOM 0 H ARG A 83 -2.923 4.271 0.616 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.471 3.012 1.090 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.078 2.364 -1.385 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.924 0.984 -0.315 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.299 0.743 -0.089 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.609 2.358 -0.695 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.136 1.106 -2.786 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.238 -0.137 -2.227 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.889 2.099 -2.193 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.292 -0.178 -4.441 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.434 0.851 -5.870 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.335 3.829 -4.040 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.458 3.101 -5.645 1.00 0.00 H new ATOM 1201 N LEU A 84 -4.290 1.363 2.604 1.00 0.00 N ATOM 1202 CA LEU A 84 -3.571 0.693 3.727 1.00 0.00 C ATOM 1203 C LEU A 84 -2.754 -0.487 3.190 1.00 0.00 C ATOM 1204 O LEU A 84 -3.212 -1.224 2.339 1.00 0.00 O ATOM 1205 CB LEU A 84 -4.683 0.199 4.652 1.00 0.00 C ATOM 1206 CG LEU A 84 -4.561 0.876 6.019 1.00 0.00 C ATOM 1207 CD1 LEU A 84 -5.526 0.203 6.995 1.00 0.00 C ATOM 1208 CD2 LEU A 84 -3.134 0.716 6.534 1.00 0.00 C ATOM 0 H LEU A 84 -5.278 1.124 2.521 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.875 1.357 4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.657 0.418 4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.620 -0.883 4.765 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.802 1.935 5.930 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.446 0.679 7.972 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.546 0.303 6.625 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.275 -0.854 7.085 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.043 1.197 7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.898 -0.344 6.629 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.440 1.181 5.833 1.00 0.00 H new ATOM 1220 N SER A 85 -1.551 -0.681 3.671 1.00 0.00 N ATOM 1221 CA SER A 85 -0.742 -1.826 3.159 1.00 0.00 C ATOM 1222 C SER A 85 -1.607 -3.084 3.081 1.00 0.00 C ATOM 1223 O SER A 85 -1.393 -3.948 2.254 1.00 0.00 O ATOM 1224 CB SER A 85 0.387 -2.041 4.149 1.00 0.00 C ATOM 1225 OG SER A 85 -0.003 -3.014 5.104 1.00 0.00 O ATOM 0 H SER A 85 -1.101 -0.106 4.384 1.00 0.00 H new ATOM 0 HA SER A 85 -0.358 -1.617 2.161 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.286 -2.368 3.627 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.631 -1.103 4.648 1.00 0.00 H new ATOM 0 HG SER A 85 -0.873 -2.770 5.483 1.00 0.00 H new ATOM 1231 N CYS A 86 -2.561 -3.210 3.969 1.00 0.00 N ATOM 1232 CA CYS A 86 -3.420 -4.436 3.987 1.00 0.00 C ATOM 1233 C CYS A 86 -4.779 -4.170 3.327 1.00 0.00 C ATOM 1234 O CYS A 86 -5.803 -4.642 3.778 1.00 0.00 O ATOM 1235 CB CYS A 86 -3.545 -4.820 5.479 1.00 0.00 C ATOM 1236 SG CYS A 86 -1.931 -4.527 6.278 1.00 0.00 S ATOM 0 H CYS A 86 -2.783 -2.517 4.683 1.00 0.00 H new ATOM 0 HA CYS A 86 -2.988 -5.255 3.412 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.322 -4.226 5.961 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -3.835 -5.866 5.580 1.00 0.00 H new ATOM 1241 N GLN A 87 -4.787 -3.420 2.248 1.00 0.00 N ATOM 1242 CA GLN A 87 -6.069 -3.130 1.548 1.00 0.00 C ATOM 1243 C GLN A 87 -6.019 -3.480 0.063 1.00 0.00 C ATOM 1244 O GLN A 87 -6.952 -4.043 -0.475 1.00 0.00 O ATOM 1245 CB GLN A 87 -6.321 -1.634 1.743 1.00 0.00 C ATOM 1246 CG GLN A 87 -7.315 -1.415 2.889 1.00 0.00 C ATOM 1247 CD GLN A 87 -8.553 -2.295 2.686 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -9.555 -1.849 2.167 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -8.518 -3.539 3.072 1.00 0.00 N ATOM 0 H GLN A 87 -3.959 -2.999 1.827 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.872 -3.740 1.961 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.383 -1.124 1.962 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.712 -1.200 0.823 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -6.842 -1.653 3.842 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.608 -0.366 2.932 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.676 -3.914 3.508 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.333 -4.138 2.938 1.00 0.00 H new ATOM 1258 N ILE A 88 -4.968 -3.146 -0.614 1.00 0.00 N ATOM 1259 CA ILE A 88 -4.924 -3.467 -2.073 1.00 0.00 C ATOM 1260 C ILE A 88 -4.461 -4.902 -2.294 1.00 0.00 C ATOM 1261 O ILE A 88 -3.681 -5.446 -1.539 1.00 0.00 O ATOM 1262 CB ILE A 88 -3.942 -2.504 -2.750 1.00 0.00 C ATOM 1263 CG1 ILE A 88 -3.732 -1.231 -1.919 1.00 0.00 C ATOM 1264 CG2 ILE A 88 -4.510 -2.122 -4.115 1.00 0.00 C ATOM 1265 CD1 ILE A 88 -3.025 -0.168 -2.776 1.00 0.00 C ATOM 0 H ILE A 88 -4.146 -2.673 -0.238 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.922 -3.359 -2.498 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.977 -3.001 -2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.691 -0.851 -1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.136 -1.456 -1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.826 -1.436 -4.615 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.632 -3.019 -4.722 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.478 -1.638 -3.984 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.876 0.736 -2.185 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.058 -0.550 -3.105 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.638 0.065 -3.646 1.00 0.00 H new ATOM 1277 N ILE A 89 -4.932 -5.506 -3.343 1.00 0.00 N ATOM 1278 CA ILE A 89 -4.531 -6.899 -3.655 1.00 0.00 C ATOM 1279 C ILE A 89 -3.658 -6.911 -4.909 1.00 0.00 C ATOM 1280 O ILE A 89 -3.667 -5.983 -5.694 1.00 0.00 O ATOM 1281 CB ILE A 89 -5.843 -7.644 -3.895 1.00 0.00 C ATOM 1282 CG1 ILE A 89 -6.526 -7.939 -2.554 1.00 0.00 C ATOM 1283 CG2 ILE A 89 -5.557 -8.956 -4.621 1.00 0.00 C ATOM 1284 CD1 ILE A 89 -5.507 -8.508 -1.566 1.00 0.00 C ATOM 0 H ILE A 89 -5.586 -5.088 -4.005 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.950 -7.361 -2.856 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.502 -7.025 -4.505 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.966 -7.027 -2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.341 -8.649 -2.699 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.493 -9.488 -4.793 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.078 -8.746 -5.577 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.896 -9.572 -4.012 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.998 -8.715 -0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.088 -9.431 -1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.707 -7.784 -1.411 1.00 0.00 H new ATOM 1296 N MET A 90 -2.905 -7.952 -5.104 1.00 0.00 N ATOM 1297 CA MET A 90 -2.031 -8.024 -6.303 1.00 0.00 C ATOM 1298 C MET A 90 -2.553 -9.087 -7.270 1.00 0.00 C ATOM 1299 O MET A 90 -2.543 -10.263 -6.973 1.00 0.00 O ATOM 1300 CB MET A 90 -0.659 -8.420 -5.755 1.00 0.00 C ATOM 1301 CG MET A 90 0.433 -7.622 -6.467 1.00 0.00 C ATOM 1302 SD MET A 90 0.132 -5.851 -6.261 1.00 0.00 S ATOM 1303 CE MET A 90 0.000 -5.452 -8.020 1.00 0.00 C ATOM 0 H MET A 90 -2.857 -8.759 -4.483 1.00 0.00 H new ATOM 0 HA MET A 90 -1.997 -7.085 -6.856 1.00 0.00 H new ATOM 0 HB2 MET A 90 -0.618 -8.233 -4.682 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.494 -9.488 -5.899 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.410 -7.884 -6.061 1.00 0.00 H new ATOM 0 HG3 MET A 90 0.449 -7.876 -7.527 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.295 -4.409 -8.135 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.964 -5.612 -8.503 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.749 -6.094 -8.484 1.00 0.00 H new ATOM 1313 N THR A 91 -3.006 -8.689 -8.428 1.00 0.00 N ATOM 1314 CA THR A 91 -3.519 -9.693 -9.404 1.00 0.00 C ATOM 1315 C THR A 91 -2.378 -10.142 -10.324 1.00 0.00 C ATOM 1316 O THR A 91 -1.315 -9.556 -10.316 1.00 0.00 O ATOM 1317 CB THR A 91 -4.609 -8.972 -10.204 1.00 0.00 C ATOM 1318 OG1 THR A 91 -4.003 -8.191 -11.219 1.00 0.00 O ATOM 1319 CG2 THR A 91 -5.426 -8.068 -9.279 1.00 0.00 C ATOM 0 H THR A 91 -3.043 -7.718 -8.739 1.00 0.00 H new ATOM 0 HA THR A 91 -3.914 -10.583 -8.915 1.00 0.00 H new ATOM 0 HB THR A 91 -5.273 -9.709 -10.655 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.647 -7.532 -11.553 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.198 -7.560 -9.856 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.893 -8.671 -8.500 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.770 -7.328 -8.821 1.00 0.00 H new ATOM 1327 N PRO A 92 -2.631 -11.175 -11.079 1.00 0.00 N ATOM 1328 CA PRO A 92 -1.600 -11.710 -12.001 1.00 0.00 C ATOM 1329 C PRO A 92 -1.392 -10.781 -13.203 1.00 0.00 C ATOM 1330 O PRO A 92 -0.471 -10.957 -13.976 1.00 0.00 O ATOM 1331 CB PRO A 92 -2.165 -13.060 -12.428 1.00 0.00 C ATOM 1332 CG PRO A 92 -3.644 -12.946 -12.239 1.00 0.00 C ATOM 1333 CD PRO A 92 -3.885 -11.932 -11.150 1.00 0.00 C ATOM 0 HA PRO A 92 -0.619 -11.796 -11.534 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.917 -13.280 -13.466 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.752 -13.868 -11.824 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.126 -12.635 -13.166 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.071 -13.911 -11.966 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.728 -11.284 -11.389 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.113 -12.415 -10.200 1.00 0.00 H new ATOM 1341 N GLU A 93 -2.222 -9.785 -13.365 1.00 0.00 N ATOM 1342 CA GLU A 93 -2.036 -8.852 -14.514 1.00 0.00 C ATOM 1343 C GLU A 93 -1.573 -7.481 -14.004 1.00 0.00 C ATOM 1344 O GLU A 93 -0.700 -6.860 -14.576 1.00 0.00 O ATOM 1345 CB GLU A 93 -3.402 -8.761 -15.208 1.00 0.00 C ATOM 1346 CG GLU A 93 -4.431 -8.117 -14.277 1.00 0.00 C ATOM 1347 CD GLU A 93 -4.330 -6.593 -14.375 1.00 0.00 C ATOM 1348 OE1 GLU A 93 -3.522 -6.121 -15.158 1.00 0.00 O ATOM 1349 OE2 GLU A 93 -5.063 -5.924 -13.665 1.00 0.00 O ATOM 0 H GLU A 93 -3.014 -9.578 -12.757 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.274 -9.202 -15.210 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.314 -8.176 -16.123 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.737 -9.757 -15.497 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.435 -8.443 -14.548 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.258 -8.438 -13.250 1.00 0.00 H new ATOM 1356 N LEU A 94 -2.142 -7.011 -12.926 1.00 0.00 N ATOM 1357 CA LEU A 94 -1.728 -5.692 -12.371 1.00 0.00 C ATOM 1358 C LEU A 94 -0.352 -5.793 -11.721 1.00 0.00 C ATOM 1359 O LEU A 94 -0.182 -5.472 -10.564 1.00 0.00 O ATOM 1360 CB LEU A 94 -2.765 -5.388 -11.306 1.00 0.00 C ATOM 1361 CG LEU A 94 -3.513 -4.135 -11.698 1.00 0.00 C ATOM 1362 CD1 LEU A 94 -4.419 -3.719 -10.541 1.00 0.00 C ATOM 1363 CD2 LEU A 94 -2.501 -3.023 -12.005 1.00 0.00 C ATOM 0 H LEU A 94 -2.879 -7.487 -12.405 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.668 -4.925 -13.143 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.457 -6.224 -11.203 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.283 -5.252 -10.338 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.122 -4.317 -12.584 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.964 -2.815 -10.813 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.127 -4.520 -10.327 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.813 -3.525 -9.656 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.033 -2.115 -12.289 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.896 -2.827 -11.120 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.854 -3.336 -12.825 1.00 0.00 H new ATOM 1375 N ASP A 95 0.619 -6.265 -12.433 1.00 0.00 N ATOM 1376 CA ASP A 95 1.961 -6.419 -11.829 1.00 0.00 C ATOM 1377 C ASP A 95 2.919 -5.303 -12.234 1.00 0.00 C ATOM 1378 O ASP A 95 2.767 -4.672 -13.259 1.00 0.00 O ATOM 1379 CB ASP A 95 2.439 -7.761 -12.362 1.00 0.00 C ATOM 1380 CG ASP A 95 2.444 -7.730 -13.891 1.00 0.00 C ATOM 1381 OD1 ASP A 95 2.020 -6.729 -14.445 1.00 0.00 O ATOM 1382 OD2 ASP A 95 2.873 -8.707 -14.483 1.00 0.00 O ATOM 0 H ASP A 95 0.543 -6.552 -13.409 1.00 0.00 H new ATOM 0 HA ASP A 95 1.923 -6.369 -10.741 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.440 -7.977 -11.989 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.787 -8.559 -12.006 1.00 0.00 H new ATOM 1387 N GLY A 96 3.918 -5.072 -11.420 1.00 0.00 N ATOM 1388 CA GLY A 96 4.905 -4.004 -11.726 1.00 0.00 C ATOM 1389 C GLY A 96 4.474 -2.738 -11.009 1.00 0.00 C ATOM 1390 O GLY A 96 4.756 -1.641 -11.443 1.00 0.00 O ATOM 0 H GLY A 96 4.089 -5.582 -10.554 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.902 -4.304 -11.402 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.958 -3.832 -12.801 1.00 0.00 H new ATOM 1394 N ILE A 97 3.771 -2.881 -9.923 1.00 0.00 N ATOM 1395 CA ILE A 97 3.282 -1.677 -9.205 1.00 0.00 C ATOM 1396 C ILE A 97 4.358 -1.048 -8.342 1.00 0.00 C ATOM 1397 O ILE A 97 5.298 -1.686 -7.911 1.00 0.00 O ATOM 1398 CB ILE A 97 2.132 -2.159 -8.324 1.00 0.00 C ATOM 1399 CG1 ILE A 97 1.747 -1.038 -7.357 1.00 0.00 C ATOM 1400 CG2 ILE A 97 2.572 -3.384 -7.522 1.00 0.00 C ATOM 1401 CD1 ILE A 97 0.345 -1.288 -6.818 1.00 0.00 C ATOM 0 H ILE A 97 3.515 -3.775 -9.504 1.00 0.00 H new ATOM 0 HA ILE A 97 2.975 -0.912 -9.918 1.00 0.00 H new ATOM 0 HB ILE A 97 1.280 -2.426 -8.950 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.461 -0.992 -6.535 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.785 -0.075 -7.867 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.748 -3.724 -6.895 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.861 -4.182 -8.206 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.422 -3.121 -6.892 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.072 -0.489 -6.129 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.364 -1.312 -7.646 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.322 -2.243 -6.293 1.00 0.00 H new ATOM 1413 N VAL A 98 4.187 0.207 -8.062 1.00 0.00 N ATOM 1414 CA VAL A 98 5.156 0.917 -7.191 1.00 0.00 C ATOM 1415 C VAL A 98 4.390 1.525 -6.023 1.00 0.00 C ATOM 1416 O VAL A 98 3.436 2.255 -6.211 1.00 0.00 O ATOM 1417 CB VAL A 98 5.773 2.006 -8.063 1.00 0.00 C ATOM 1418 CG1 VAL A 98 6.948 2.648 -7.323 1.00 0.00 C ATOM 1419 CG2 VAL A 98 6.273 1.390 -9.371 1.00 0.00 C ATOM 0 H VAL A 98 3.412 0.777 -8.401 1.00 0.00 H new ATOM 0 HA VAL A 98 5.930 0.264 -6.787 1.00 0.00 H new ATOM 0 HB VAL A 98 5.021 2.765 -8.281 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.389 3.426 -7.946 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.594 3.087 -6.390 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.699 1.889 -7.105 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.714 2.168 -9.994 1.00 0.00 H new ATOM 0 HG22 VAL A 98 7.024 0.631 -9.152 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.438 0.931 -9.900 1.00 0.00 H new ATOM 1429 N VAL A 99 4.781 1.231 -4.820 1.00 0.00 N ATOM 1430 CA VAL A 99 4.043 1.799 -3.660 1.00 0.00 C ATOM 1431 C VAL A 99 4.836 2.920 -3.067 1.00 0.00 C ATOM 1432 O VAL A 99 5.897 3.274 -3.529 1.00 0.00 O ATOM 1433 CB VAL A 99 3.958 0.717 -2.587 1.00 0.00 C ATOM 1434 CG1 VAL A 99 2.690 0.888 -1.758 1.00 0.00 C ATOM 1435 CG2 VAL A 99 3.978 -0.655 -3.208 1.00 0.00 C ATOM 0 H VAL A 99 5.571 0.629 -4.588 1.00 0.00 H new ATOM 0 HA VAL A 99 3.061 2.144 -3.983 1.00 0.00 H new ATOM 0 HB VAL A 99 4.826 0.819 -1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.645 0.109 -0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.700 1.865 -1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.818 0.812 -2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.916 -1.410 -2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.128 -0.762 -3.882 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.904 -0.788 -3.768 1.00 0.00 H new ATOM 1445 N ASP A 100 4.342 3.442 -2.011 1.00 0.00 N ATOM 1446 CA ASP A 100 5.078 4.510 -1.323 1.00 0.00 C ATOM 1447 C ASP A 100 4.557 4.667 0.089 1.00 0.00 C ATOM 1448 O ASP A 100 3.371 4.642 0.332 1.00 0.00 O ATOM 1449 CB ASP A 100 4.846 5.790 -2.118 1.00 0.00 C ATOM 1450 CG ASP A 100 5.758 5.816 -3.345 1.00 0.00 C ATOM 1451 OD1 ASP A 100 6.876 6.286 -3.218 1.00 0.00 O ATOM 1452 OD2 ASP A 100 5.323 5.366 -4.392 1.00 0.00 O ATOM 0 H ASP A 100 3.453 3.177 -1.586 1.00 0.00 H new ATOM 0 HA ASP A 100 6.142 4.280 -1.262 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.803 5.851 -2.429 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.043 6.659 -1.490 1.00 0.00 H new ATOM 1457 N VAL A 101 5.422 4.866 1.018 1.00 0.00 N ATOM 1458 CA VAL A 101 4.934 5.068 2.408 1.00 0.00 C ATOM 1459 C VAL A 101 4.716 6.566 2.626 1.00 0.00 C ATOM 1460 O VAL A 101 5.642 7.348 2.536 1.00 0.00 O ATOM 1461 CB VAL A 101 6.019 4.515 3.336 1.00 0.00 C ATOM 1462 CG1 VAL A 101 5.483 4.461 4.767 1.00 0.00 C ATOM 1463 CG2 VAL A 101 6.398 3.100 2.891 1.00 0.00 C ATOM 0 H VAL A 101 6.433 4.899 0.891 1.00 0.00 H new ATOM 0 HA VAL A 101 3.990 4.559 2.604 1.00 0.00 H new ATOM 0 HB VAL A 101 6.896 5.161 3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.254 4.068 5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.205 5.464 5.089 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.608 3.813 4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.170 2.706 3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.519 2.457 2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.775 3.129 1.869 1.00 0.00 H new ATOM 1473 N PRO A 102 3.485 6.922 2.877 1.00 0.00 N ATOM 1474 CA PRO A 102 3.124 8.350 3.075 1.00 0.00 C ATOM 1475 C PRO A 102 3.810 8.904 4.333 1.00 0.00 C ATOM 1476 O PRO A 102 4.150 8.168 5.238 1.00 0.00 O ATOM 1477 CB PRO A 102 1.606 8.307 3.235 1.00 0.00 C ATOM 1478 CG PRO A 102 1.311 6.920 3.698 1.00 0.00 C ATOM 1479 CD PRO A 102 2.322 6.040 3.018 1.00 0.00 C ATOM 0 HA PRO A 102 3.439 8.999 2.258 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.263 9.047 3.958 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.103 8.525 2.293 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.392 6.844 4.782 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.295 6.627 3.433 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.555 5.157 3.614 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.964 5.686 2.051 1.00 0.00 H new