USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 540 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 15 HIS : no HD1:sc= -3.94 K(o=-4,f=-8.1!) USER MOD Set 1.2: A 16 THR OG1 : rot 180:sc= -0.0671 USER MOD Set 2.1: A 9 CYS SG : rot 160:sc= -0.0486 USER MOD Set 2.2: A 41 LYS NZ :NH3+ -141:sc= -0.493 (180deg=-0.566) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -55:sc= 0.32 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0313 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -137:sc= -0.853 (180deg=-1.14) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc=-0.00913 K(o=-0.0091,f=-1.3!) USER MOD Single : A 53 ASN : amide:sc= -0.0872 K(o=-0.087,f=-2.1!) USER MOD Single : A 54 LYS NZ :NH3+ 155:sc= -0.132 (180deg=-0.661) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.710 2.122 17.686 1.00 0.00 N ATOM 2 CA GLY A 1 10.488 2.030 16.908 1.00 0.00 C ATOM 3 C GLY A 1 9.972 0.609 16.804 1.00 0.00 C ATOM 4 O GLY A 1 9.903 -0.108 17.803 1.00 0.00 O ATOM 0 H1 GLY A 1 12.022 3.113 17.727 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.535 1.774 18.650 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.451 1.545 17.239 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.723 2.659 17.364 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.668 2.422 15.907 1.00 0.00 H new ATOM 8 N SER A 2 9.606 0.200 15.594 1.00 0.00 N ATOM 9 CA SER A 2 9.088 -1.143 15.365 1.00 0.00 C ATOM 10 C SER A 2 9.864 -2.172 16.182 1.00 0.00 C ATOM 11 O SER A 2 9.286 -2.911 16.979 1.00 0.00 O ATOM 12 CB SER A 2 9.163 -1.495 13.878 1.00 0.00 C ATOM 13 OG SER A 2 8.246 -0.721 13.123 1.00 0.00 O ATOM 0 H SER A 2 9.659 0.780 14.757 1.00 0.00 H new ATOM 0 HA SER A 2 8.046 -1.162 15.684 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.175 -1.325 13.512 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.948 -2.555 13.741 1.00 0.00 H new ATOM 0 HG SER A 2 8.315 -0.964 12.176 1.00 0.00 H new ATOM 19 N SER A 3 11.176 -2.212 15.978 1.00 0.00 N ATOM 20 CA SER A 3 12.032 -3.152 16.692 1.00 0.00 C ATOM 21 C SER A 3 11.627 -4.592 16.392 1.00 0.00 C ATOM 22 O SER A 3 11.585 -5.436 17.287 1.00 0.00 O ATOM 23 CB SER A 3 11.964 -2.894 18.198 1.00 0.00 C ATOM 24 OG SER A 3 12.961 -3.627 18.888 1.00 0.00 O ATOM 0 H SER A 3 11.670 -1.605 15.324 1.00 0.00 H new ATOM 0 HA SER A 3 13.057 -3.003 16.351 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.091 -1.829 18.393 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.979 -3.172 18.573 1.00 0.00 H new ATOM 0 HG SER A 3 12.880 -4.578 18.666 1.00 0.00 H new ATOM 30 N GLY A 4 11.329 -4.865 15.125 1.00 0.00 N ATOM 31 CA GLY A 4 10.931 -6.203 14.729 1.00 0.00 C ATOM 32 C GLY A 4 10.971 -6.399 13.226 1.00 0.00 C ATOM 33 O GLY A 4 10.295 -5.688 12.483 1.00 0.00 O ATOM 0 H GLY A 4 11.356 -4.184 14.366 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.589 -6.930 15.205 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.922 -6.401 15.091 1.00 0.00 H new ATOM 37 N SER A 5 11.767 -7.364 12.778 1.00 0.00 N ATOM 38 CA SER A 5 11.897 -7.648 11.353 1.00 0.00 C ATOM 39 C SER A 5 10.611 -8.254 10.800 1.00 0.00 C ATOM 40 O SER A 5 10.078 -7.791 9.792 1.00 0.00 O ATOM 41 CB SER A 5 13.070 -8.598 11.106 1.00 0.00 C ATOM 42 OG SER A 5 13.617 -8.408 9.813 1.00 0.00 O ATOM 0 H SER A 5 12.332 -7.963 13.381 1.00 0.00 H new ATOM 0 HA SER A 5 12.086 -6.707 10.836 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.841 -8.432 11.858 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.735 -9.630 11.215 1.00 0.00 H new ATOM 0 HG SER A 5 14.366 -9.026 9.681 1.00 0.00 H new ATOM 48 N SER A 6 10.119 -9.292 11.468 1.00 0.00 N ATOM 49 CA SER A 6 8.898 -9.966 11.042 1.00 0.00 C ATOM 50 C SER A 6 7.740 -9.636 11.980 1.00 0.00 C ATOM 51 O SER A 6 7.870 -9.727 13.200 1.00 0.00 O ATOM 52 CB SER A 6 9.115 -11.479 10.994 1.00 0.00 C ATOM 53 OG SER A 6 10.208 -11.811 10.156 1.00 0.00 O ATOM 0 H SER A 6 10.547 -9.685 12.306 1.00 0.00 H new ATOM 0 HA SER A 6 8.646 -9.611 10.043 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.297 -11.856 12.001 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.212 -11.968 10.629 1.00 0.00 H new ATOM 0 HG SER A 6 10.327 -12.784 10.144 1.00 0.00 H new ATOM 59 N GLY A 7 6.607 -9.252 11.399 1.00 0.00 N ATOM 60 CA GLY A 7 5.443 -8.914 12.197 1.00 0.00 C ATOM 61 C GLY A 7 4.527 -7.929 11.497 1.00 0.00 C ATOM 62 O GLY A 7 4.195 -6.879 12.049 1.00 0.00 O ATOM 0 H GLY A 7 6.475 -9.169 10.391 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.887 -9.823 12.426 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.768 -8.491 13.147 1.00 0.00 H new ATOM 66 N PHE A 8 4.120 -8.265 10.278 1.00 0.00 N ATOM 67 CA PHE A 8 3.239 -7.401 9.501 1.00 0.00 C ATOM 68 C PHE A 8 1.869 -8.046 9.316 1.00 0.00 C ATOM 69 O PHE A 8 1.765 -9.249 9.073 1.00 0.00 O ATOM 70 CB PHE A 8 3.861 -7.098 8.136 1.00 0.00 C ATOM 71 CG PHE A 8 5.296 -6.663 8.215 1.00 0.00 C ATOM 72 CD1 PHE A 8 6.317 -7.599 8.248 1.00 0.00 C ATOM 73 CD2 PHE A 8 5.625 -5.318 8.255 1.00 0.00 C ATOM 74 CE1 PHE A 8 7.639 -7.202 8.321 1.00 0.00 C ATOM 75 CE2 PHE A 8 6.945 -4.914 8.328 1.00 0.00 C ATOM 76 CZ PHE A 8 7.953 -5.857 8.360 1.00 0.00 C ATOM 0 H PHE A 8 4.386 -9.129 9.807 1.00 0.00 H new ATOM 0 HA PHE A 8 3.111 -6.468 10.049 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.793 -7.987 7.509 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.279 -6.317 7.646 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.077 -8.652 8.216 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.841 -4.576 8.229 1.00 0.00 H new ATOM 0 HE1 PHE A 8 8.425 -7.942 8.348 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.187 -3.862 8.360 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.985 -5.544 8.415 1.00 0.00 H new ATOM 86 N CYS A 9 0.821 -7.238 9.433 1.00 0.00 N ATOM 87 CA CYS A 9 -0.544 -7.730 9.280 1.00 0.00 C ATOM 88 C CYS A 9 -0.796 -8.199 7.851 1.00 0.00 C ATOM 89 O CYS A 9 -1.220 -9.331 7.624 1.00 0.00 O ATOM 90 CB CYS A 9 -1.547 -6.637 9.656 1.00 0.00 C ATOM 91 SG CYS A 9 -3.270 -7.185 9.656 1.00 0.00 S ATOM 0 H CYS A 9 0.890 -6.240 9.633 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.675 -8.580 9.950 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.298 -6.256 10.646 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.441 -5.806 8.959 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.985 -6.368 10.371 1.00 0.00 H new ATOM 97 N GLY A 10 -0.535 -7.318 6.890 1.00 0.00 N ATOM 98 CA GLY A 10 -0.741 -7.660 5.494 1.00 0.00 C ATOM 99 C GLY A 10 -0.012 -6.722 4.553 1.00 0.00 C ATOM 100 O GLY A 10 0.652 -5.783 4.994 1.00 0.00 O ATOM 0 H GLY A 10 -0.185 -6.374 7.053 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.401 -8.681 5.319 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.808 -7.636 5.271 1.00 0.00 H new ATOM 104 N ARG A 11 -0.133 -6.976 3.255 1.00 0.00 N ATOM 105 CA ARG A 11 0.523 -6.149 2.249 1.00 0.00 C ATOM 106 C ARG A 11 -0.486 -5.634 1.227 1.00 0.00 C ATOM 107 O ARG A 11 -1.485 -6.293 0.940 1.00 0.00 O ATOM 108 CB ARG A 11 1.622 -6.943 1.542 1.00 0.00 C ATOM 109 CG ARG A 11 1.131 -8.241 0.920 1.00 0.00 C ATOM 110 CD ARG A 11 2.247 -8.960 0.178 1.00 0.00 C ATOM 111 NE ARG A 11 3.127 -9.690 1.086 1.00 0.00 N ATOM 112 CZ ARG A 11 2.865 -10.911 1.540 1.00 0.00 C ATOM 113 NH1 ARG A 11 1.754 -11.534 1.171 1.00 0.00 N ATOM 114 NH2 ARG A 11 3.714 -11.510 2.364 1.00 0.00 N ATOM 0 H ARG A 11 -0.680 -7.748 2.874 1.00 0.00 H new ATOM 0 HA ARG A 11 0.971 -5.294 2.754 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.064 -6.321 0.764 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.413 -7.169 2.257 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.733 -8.891 1.699 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.313 -8.029 0.232 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.814 -9.654 -0.543 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.832 -8.235 -0.388 1.00 0.00 H new ATOM 0 HE ARG A 11 3.990 -9.238 1.388 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.099 -11.076 0.538 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.555 -12.471 1.521 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.569 -11.033 2.650 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.512 -12.447 2.712 1.00 0.00 H new ATOM 128 N ALA A 12 -0.217 -4.452 0.682 1.00 0.00 N ATOM 129 CA ALA A 12 -1.100 -3.850 -0.309 1.00 0.00 C ATOM 130 C ALA A 12 -0.370 -3.621 -1.629 1.00 0.00 C ATOM 131 O ALA A 12 0.858 -3.540 -1.663 1.00 0.00 O ATOM 132 CB ALA A 12 -1.667 -2.539 0.216 1.00 0.00 C ATOM 0 H ALA A 12 0.605 -3.893 0.910 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.922 -4.541 -0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.325 -2.101 -0.535 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.232 -2.727 1.129 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.851 -1.849 0.430 1.00 0.00 H new ATOM 138 N ARG A 13 -1.133 -3.519 -2.712 1.00 0.00 N ATOM 139 CA ARG A 13 -0.558 -3.303 -4.034 1.00 0.00 C ATOM 140 C ARG A 13 -0.873 -1.898 -4.540 1.00 0.00 C ATOM 141 O ARG A 13 -2.036 -1.541 -4.730 1.00 0.00 O ATOM 142 CB ARG A 13 -1.089 -4.343 -5.021 1.00 0.00 C ATOM 143 CG ARG A 13 -0.398 -4.307 -6.375 1.00 0.00 C ATOM 144 CD ARG A 13 -0.487 -5.650 -7.082 1.00 0.00 C ATOM 145 NE ARG A 13 0.498 -6.602 -6.575 1.00 0.00 N ATOM 146 CZ ARG A 13 0.754 -7.771 -7.151 1.00 0.00 C ATOM 147 NH1 ARG A 13 0.100 -8.131 -8.247 1.00 0.00 N ATOM 148 NH2 ARG A 13 1.665 -8.583 -6.630 1.00 0.00 N ATOM 0 H ARG A 13 -2.151 -3.582 -2.700 1.00 0.00 H new ATOM 0 HA ARG A 13 0.524 -3.408 -3.954 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.970 -5.336 -4.588 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.158 -4.184 -5.164 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.854 -3.536 -6.997 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.649 -4.033 -6.243 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.488 -6.061 -6.954 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.336 -5.507 -8.152 1.00 0.00 H new ATOM 0 HE ARG A 13 1.018 -6.356 -5.733 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.602 -7.510 -8.650 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.299 -9.029 -8.687 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.169 -8.310 -5.787 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.861 -9.481 -7.073 1.00 0.00 H new ATOM 162 N VAL A 14 0.171 -1.104 -4.756 1.00 0.00 N ATOM 163 CA VAL A 14 0.007 0.261 -5.241 1.00 0.00 C ATOM 164 C VAL A 14 -0.640 0.280 -6.621 1.00 0.00 C ATOM 165 O VAL A 14 -0.034 -0.140 -7.608 1.00 0.00 O ATOM 166 CB VAL A 14 1.357 0.999 -5.308 1.00 0.00 C ATOM 167 CG1 VAL A 14 1.213 2.306 -6.073 1.00 0.00 C ATOM 168 CG2 VAL A 14 1.897 1.249 -3.908 1.00 0.00 C ATOM 0 H VAL A 14 1.140 -1.383 -4.603 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.643 0.773 -4.532 1.00 0.00 H new ATOM 0 HB VAL A 14 2.070 0.370 -5.841 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.177 2.814 -6.110 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.873 2.098 -7.088 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.486 2.944 -5.570 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.851 1.771 -3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.188 1.858 -3.348 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.039 0.297 -3.397 1.00 0.00 H new ATOM 178 N HIS A 15 -1.873 0.771 -6.685 1.00 0.00 N ATOM 179 CA HIS A 15 -2.603 0.846 -7.946 1.00 0.00 C ATOM 180 C HIS A 15 -2.290 2.147 -8.677 1.00 0.00 C ATOM 181 O HIS A 15 -2.252 2.187 -9.908 1.00 0.00 O ATOM 182 CB HIS A 15 -4.107 0.736 -7.696 1.00 0.00 C ATOM 183 CG HIS A 15 -4.684 1.921 -6.985 1.00 0.00 C ATOM 184 ND1 HIS A 15 -5.610 2.766 -7.559 1.00 0.00 N ATOM 185 CD2 HIS A 15 -4.463 2.399 -5.738 1.00 0.00 C ATOM 186 CE1 HIS A 15 -5.932 3.714 -6.697 1.00 0.00 C ATOM 187 NE2 HIS A 15 -5.251 3.514 -5.584 1.00 0.00 N ATOM 0 H HIS A 15 -2.388 1.123 -5.878 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.285 0.012 -8.572 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.618 0.612 -8.651 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -4.305 -0.161 -7.109 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.792 1.982 -5.001 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.633 4.516 -6.873 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -5.302 4.093 -4.746 1.00 0.00 H new ATOM 195 N THR A 16 -2.066 3.212 -7.913 1.00 0.00 N ATOM 196 CA THR A 16 -1.759 4.515 -8.488 1.00 0.00 C ATOM 197 C THR A 16 -0.399 5.017 -8.016 1.00 0.00 C ATOM 198 O THR A 16 -0.073 4.935 -6.831 1.00 0.00 O ATOM 199 CB THR A 16 -2.833 5.557 -8.125 1.00 0.00 C ATOM 200 OG1 THR A 16 -4.107 5.146 -8.634 1.00 0.00 O ATOM 201 CG2 THR A 16 -2.474 6.924 -8.688 1.00 0.00 C ATOM 0 H THR A 16 -2.092 3.197 -6.893 1.00 0.00 H new ATOM 0 HA THR A 16 -1.740 4.386 -9.570 1.00 0.00 H new ATOM 0 HB THR A 16 -2.883 5.631 -7.039 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.785 5.813 -8.397 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.248 7.643 -8.418 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.518 7.248 -8.276 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.399 6.862 -9.774 1.00 0.00 H new ATOM 209 N ASP A 17 0.390 5.539 -8.948 1.00 0.00 N ATOM 210 CA ASP A 17 1.715 6.057 -8.627 1.00 0.00 C ATOM 211 C ASP A 17 1.623 7.473 -8.066 1.00 0.00 C ATOM 212 O ASP A 17 1.328 8.421 -8.793 1.00 0.00 O ATOM 213 CB ASP A 17 2.607 6.044 -9.869 1.00 0.00 C ATOM 214 CG ASP A 17 1.857 6.446 -11.124 1.00 0.00 C ATOM 215 OD1 ASP A 17 1.013 5.653 -11.591 1.00 0.00 O ATOM 216 OD2 ASP A 17 2.114 7.555 -11.638 1.00 0.00 O ATOM 0 H ASP A 17 0.135 5.615 -9.933 1.00 0.00 H new ATOM 0 HA ASP A 17 2.156 5.412 -7.867 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.446 6.723 -9.717 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.025 5.046 -10.003 1.00 0.00 H new ATOM 221 N PHE A 18 1.877 7.607 -6.768 1.00 0.00 N ATOM 222 CA PHE A 18 1.822 8.907 -6.109 1.00 0.00 C ATOM 223 C PHE A 18 3.223 9.400 -5.760 1.00 0.00 C ATOM 224 O PHE A 18 3.901 8.827 -4.907 1.00 0.00 O ATOM 225 CB PHE A 18 0.968 8.824 -4.843 1.00 0.00 C ATOM 226 CG PHE A 18 0.984 10.084 -4.025 1.00 0.00 C ATOM 227 CD1 PHE A 18 1.989 10.312 -3.099 1.00 0.00 C ATOM 228 CD2 PHE A 18 -0.006 11.040 -4.183 1.00 0.00 C ATOM 229 CE1 PHE A 18 2.005 11.470 -2.345 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.005 12.201 -3.432 1.00 0.00 C ATOM 231 CZ PHE A 18 1.013 12.416 -2.513 1.00 0.00 C ATOM 0 H PHE A 18 2.123 6.832 -6.152 1.00 0.00 H new ATOM 0 HA PHE A 18 1.368 9.618 -6.800 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.060 8.595 -5.122 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.323 7.997 -4.228 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.769 9.577 -2.965 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.796 10.877 -4.901 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.793 11.635 -1.625 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.773 12.938 -3.564 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.026 13.323 -1.926 1.00 0.00 H new ATOM 241 N THR A 19 3.651 10.468 -6.426 1.00 0.00 N ATOM 242 CA THR A 19 4.971 11.039 -6.189 1.00 0.00 C ATOM 243 C THR A 19 4.867 12.417 -5.547 1.00 0.00 C ATOM 244 O THR A 19 4.586 13.417 -6.209 1.00 0.00 O ATOM 245 CB THR A 19 5.777 11.153 -7.497 1.00 0.00 C ATOM 246 OG1 THR A 19 5.773 9.898 -8.186 1.00 0.00 O ATOM 247 CG2 THR A 19 7.210 11.578 -7.214 1.00 0.00 C ATOM 0 H THR A 19 3.102 10.955 -7.134 1.00 0.00 H new ATOM 0 HA THR A 19 5.490 10.363 -5.509 1.00 0.00 H new ATOM 0 HB THR A 19 5.307 11.912 -8.123 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.286 9.979 -9.017 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.760 11.652 -8.152 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.210 12.548 -6.716 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.688 10.840 -6.571 1.00 0.00 H new ATOM 255 N PRO A 20 5.098 12.475 -4.227 1.00 0.00 N ATOM 256 CA PRO A 20 5.037 13.727 -3.467 1.00 0.00 C ATOM 257 C PRO A 20 6.186 14.670 -3.809 1.00 0.00 C ATOM 258 O PRO A 20 6.924 14.442 -4.768 1.00 0.00 O ATOM 259 CB PRO A 20 5.140 13.264 -2.012 1.00 0.00 C ATOM 260 CG PRO A 20 5.857 11.960 -2.079 1.00 0.00 C ATOM 261 CD PRO A 20 5.437 11.323 -3.375 1.00 0.00 C ATOM 0 HA PRO A 20 4.131 14.293 -3.686 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.687 13.986 -1.405 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.154 13.151 -1.562 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.937 12.106 -2.048 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.596 11.327 -1.231 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.239 10.726 -3.808 1.00 0.00 H new ATOM 0 HD3 PRO A 20 4.583 10.659 -3.238 1.00 0.00 H new ATOM 269 N SER A 21 6.332 15.728 -3.019 1.00 0.00 N ATOM 270 CA SER A 21 7.390 16.707 -3.240 1.00 0.00 C ATOM 271 C SER A 21 8.753 16.125 -2.879 1.00 0.00 C ATOM 272 O SER A 21 8.866 15.180 -2.097 1.00 0.00 O ATOM 273 CB SER A 21 7.127 17.969 -2.416 1.00 0.00 C ATOM 274 OG SER A 21 6.134 18.777 -3.023 1.00 0.00 O ATOM 0 H SER A 21 5.731 15.930 -2.220 1.00 0.00 H new ATOM 0 HA SER A 21 7.394 16.967 -4.298 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.810 17.691 -1.411 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.051 18.539 -2.313 1.00 0.00 H new ATOM 0 HG SER A 21 5.983 19.576 -2.476 1.00 0.00 H new ATOM 280 N PRO A 22 9.815 16.702 -3.461 1.00 0.00 N ATOM 281 CA PRO A 22 11.191 16.257 -3.216 1.00 0.00 C ATOM 282 C PRO A 22 11.663 16.586 -1.804 1.00 0.00 C ATOM 283 O PRO A 22 12.666 16.048 -1.333 1.00 0.00 O ATOM 284 CB PRO A 22 12.006 17.041 -4.248 1.00 0.00 C ATOM 285 CG PRO A 22 11.192 18.257 -4.529 1.00 0.00 C ATOM 286 CD PRO A 22 9.755 17.832 -4.403 1.00 0.00 C ATOM 0 HA PRO A 22 11.292 15.175 -3.305 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.989 17.304 -3.859 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.168 16.455 -5.153 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.426 19.055 -3.824 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.399 18.643 -5.527 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.129 18.639 -4.023 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.339 17.532 -5.365 1.00 0.00 H new ATOM 294 N TYR A 23 10.935 17.471 -1.132 1.00 0.00 N ATOM 295 CA TYR A 23 11.281 17.872 0.226 1.00 0.00 C ATOM 296 C TYR A 23 10.578 16.987 1.251 1.00 0.00 C ATOM 297 O TYR A 23 11.154 16.633 2.280 1.00 0.00 O ATOM 298 CB TYR A 23 10.907 19.337 0.458 1.00 0.00 C ATOM 299 CG TYR A 23 11.764 20.312 -0.317 1.00 0.00 C ATOM 300 CD1 TYR A 23 13.029 20.666 0.135 1.00 0.00 C ATOM 301 CD2 TYR A 23 11.309 20.878 -1.501 1.00 0.00 C ATOM 302 CE1 TYR A 23 13.816 21.557 -0.570 1.00 0.00 C ATOM 303 CE2 TYR A 23 12.089 21.768 -2.213 1.00 0.00 C ATOM 304 CZ TYR A 23 13.342 22.104 -1.744 1.00 0.00 C ATOM 305 OH TYR A 23 14.121 22.992 -2.450 1.00 0.00 O ATOM 0 H TYR A 23 10.101 17.924 -1.506 1.00 0.00 H new ATOM 0 HA TYR A 23 12.358 17.755 0.350 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.863 19.485 0.181 1.00 0.00 H new ATOM 0 HB3 TYR A 23 10.989 19.560 1.522 1.00 0.00 H new ATOM 0 HD1 TYR A 23 13.404 20.238 1.053 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.328 20.618 -1.871 1.00 0.00 H new ATOM 0 HE1 TYR A 23 14.796 21.823 -0.204 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.720 22.199 -3.132 1.00 0.00 H new ATOM 0 HH TYR A 23 13.640 23.282 -3.253 1.00 0.00 H new ATOM 315 N ASP A 24 9.331 16.634 0.962 1.00 0.00 N ATOM 316 CA ASP A 24 8.549 15.789 1.857 1.00 0.00 C ATOM 317 C ASP A 24 9.144 14.387 1.939 1.00 0.00 C ATOM 318 O ASP A 24 9.137 13.639 0.961 1.00 0.00 O ATOM 319 CB ASP A 24 7.097 15.713 1.381 1.00 0.00 C ATOM 320 CG ASP A 24 6.232 16.801 1.986 1.00 0.00 C ATOM 321 OD1 ASP A 24 6.745 17.922 2.192 1.00 0.00 O ATOM 322 OD2 ASP A 24 5.042 16.533 2.253 1.00 0.00 O ATOM 0 H ASP A 24 8.840 16.920 0.115 1.00 0.00 H new ATOM 0 HA ASP A 24 8.575 16.234 2.852 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.069 15.793 0.294 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.683 14.738 1.640 1.00 0.00 H new ATOM 327 N THR A 25 9.661 14.037 3.113 1.00 0.00 N ATOM 328 CA THR A 25 10.263 12.726 3.322 1.00 0.00 C ATOM 329 C THR A 25 9.236 11.726 3.840 1.00 0.00 C ATOM 330 O THR A 25 8.972 10.706 3.202 1.00 0.00 O ATOM 331 CB THR A 25 11.437 12.800 4.317 1.00 0.00 C ATOM 332 OG1 THR A 25 11.031 13.491 5.503 1.00 0.00 O ATOM 333 CG2 THR A 25 12.630 13.508 3.694 1.00 0.00 C ATOM 0 H THR A 25 9.675 14.643 3.933 1.00 0.00 H new ATOM 0 HA THR A 25 10.636 12.391 2.354 1.00 0.00 H new ATOM 0 HB THR A 25 11.732 11.783 4.573 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.782 13.532 6.131 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.446 13.548 4.415 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.955 12.962 2.808 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.345 14.522 3.412 1.00 0.00 H new ATOM 341 N ASP A 26 8.658 12.024 4.998 1.00 0.00 N ATOM 342 CA ASP A 26 7.657 11.151 5.600 1.00 0.00 C ATOM 343 C ASP A 26 6.773 10.518 4.530 1.00 0.00 C ATOM 344 O ASP A 26 6.547 9.308 4.534 1.00 0.00 O ATOM 345 CB ASP A 26 6.795 11.935 6.592 1.00 0.00 C ATOM 346 CG ASP A 26 7.627 12.749 7.563 1.00 0.00 C ATOM 347 OD1 ASP A 26 8.477 13.538 7.100 1.00 0.00 O ATOM 348 OD2 ASP A 26 7.428 12.598 8.787 1.00 0.00 O ATOM 0 H ASP A 26 8.865 12.864 5.539 1.00 0.00 H new ATOM 0 HA ASP A 26 8.178 10.356 6.133 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.128 12.600 6.043 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.166 11.241 7.150 1.00 0.00 H new ATOM 353 N SER A 27 6.276 11.344 3.615 1.00 0.00 N ATOM 354 CA SER A 27 5.413 10.866 2.541 1.00 0.00 C ATOM 355 C SER A 27 6.154 9.873 1.650 1.00 0.00 C ATOM 356 O SER A 27 6.970 10.262 0.813 1.00 0.00 O ATOM 357 CB SER A 27 4.907 12.041 1.703 1.00 0.00 C ATOM 358 OG SER A 27 4.313 13.033 2.522 1.00 0.00 O ATOM 0 H SER A 27 6.456 12.348 3.596 1.00 0.00 H new ATOM 0 HA SER A 27 4.561 10.358 2.992 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.735 12.475 1.143 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.180 11.685 0.973 1.00 0.00 H new ATOM 0 HG SER A 27 3.999 13.774 1.963 1.00 0.00 H new ATOM 364 N LEU A 28 5.865 8.590 1.836 1.00 0.00 N ATOM 365 CA LEU A 28 6.503 7.540 1.050 1.00 0.00 C ATOM 366 C LEU A 28 6.200 7.712 -0.435 1.00 0.00 C ATOM 367 O LEU A 28 5.205 8.333 -0.810 1.00 0.00 O ATOM 368 CB LEU A 28 6.030 6.164 1.523 1.00 0.00 C ATOM 369 CG LEU A 28 6.251 5.850 3.003 1.00 0.00 C ATOM 370 CD1 LEU A 28 5.393 4.671 3.432 1.00 0.00 C ATOM 371 CD2 LEU A 28 7.722 5.569 3.275 1.00 0.00 C ATOM 0 H LEU A 28 5.193 8.252 2.524 1.00 0.00 H new ATOM 0 HA LEU A 28 7.581 7.616 1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.965 6.075 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.539 5.404 0.931 1.00 0.00 H new ATOM 0 HG LEU A 28 5.954 6.721 3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.564 4.462 4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.341 4.910 3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.658 3.794 2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.861 5.348 4.333 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.045 4.715 2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.315 6.443 3.007 1.00 0.00 H new ATOM 383 N LYS A 29 7.064 7.155 -1.277 1.00 0.00 N ATOM 384 CA LYS A 29 6.889 7.243 -2.722 1.00 0.00 C ATOM 385 C LYS A 29 6.173 6.008 -3.259 1.00 0.00 C ATOM 386 O LYS A 29 6.758 4.928 -3.348 1.00 0.00 O ATOM 387 CB LYS A 29 8.246 7.399 -3.413 1.00 0.00 C ATOM 388 CG LYS A 29 8.184 8.202 -4.701 1.00 0.00 C ATOM 389 CD LYS A 29 9.471 8.972 -4.940 1.00 0.00 C ATOM 390 CE LYS A 29 10.550 8.082 -5.539 1.00 0.00 C ATOM 391 NZ LYS A 29 11.915 8.625 -5.297 1.00 0.00 N ATOM 0 H LYS A 29 7.893 6.638 -0.983 1.00 0.00 H new ATOM 0 HA LYS A 29 6.277 8.119 -2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.941 7.883 -2.726 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.649 6.410 -3.630 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.999 7.532 -5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.346 8.897 -4.657 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.276 9.810 -5.609 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.825 9.392 -3.999 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.476 7.083 -5.110 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.384 7.982 -6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.621 7.990 -5.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.995 9.568 -5.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.084 8.697 -4.273 1.00 0.00 H new ATOM 405 N LEU A 30 4.904 6.174 -3.618 1.00 0.00 N ATOM 406 CA LEU A 30 4.108 5.072 -4.148 1.00 0.00 C ATOM 407 C LEU A 30 4.355 4.893 -5.643 1.00 0.00 C ATOM 408 O LEU A 30 4.437 5.867 -6.391 1.00 0.00 O ATOM 409 CB LEU A 30 2.621 5.322 -3.891 1.00 0.00 C ATOM 410 CG LEU A 30 2.223 5.563 -2.435 1.00 0.00 C ATOM 411 CD1 LEU A 30 0.733 5.846 -2.328 1.00 0.00 C ATOM 412 CD2 LEU A 30 2.604 4.368 -1.572 1.00 0.00 C ATOM 0 H LEU A 30 4.405 7.061 -3.552 1.00 0.00 H new ATOM 0 HA LEU A 30 4.410 4.158 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.311 6.186 -4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.059 4.465 -4.263 1.00 0.00 H new ATOM 0 HG LEU A 30 2.765 6.436 -2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.469 6.015 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.488 6.733 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.172 4.993 -2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.313 4.558 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.091 3.478 -1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.682 4.212 -1.622 1.00 0.00 H new ATOM 424 N LYS A 31 4.469 3.641 -6.072 1.00 0.00 N ATOM 425 CA LYS A 31 4.702 3.332 -7.478 1.00 0.00 C ATOM 426 C LYS A 31 3.764 2.228 -7.955 1.00 0.00 C ATOM 427 O LYS A 31 3.530 1.248 -7.248 1.00 0.00 O ATOM 428 CB LYS A 31 6.157 2.907 -7.693 1.00 0.00 C ATOM 429 CG LYS A 31 7.085 4.062 -8.027 1.00 0.00 C ATOM 430 CD LYS A 31 7.497 4.825 -6.779 1.00 0.00 C ATOM 431 CE LYS A 31 8.803 5.575 -6.990 1.00 0.00 C ATOM 432 NZ LYS A 31 8.641 6.714 -7.935 1.00 0.00 N ATOM 0 H LYS A 31 4.404 2.823 -5.466 1.00 0.00 H new ATOM 0 HA LYS A 31 4.502 4.232 -8.060 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.518 2.410 -6.793 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.197 2.175 -8.499 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.973 3.682 -8.532 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.589 4.740 -8.722 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.711 5.530 -6.506 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.606 4.131 -5.946 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.167 5.947 -6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.558 4.889 -7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.447 6.737 -8.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.759 6.596 -8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.604 7.606 -7.401 1.00 0.00 H new ATOM 446 N LYS A 32 3.229 2.393 -9.160 1.00 0.00 N ATOM 447 CA LYS A 32 2.317 1.411 -9.734 1.00 0.00 C ATOM 448 C LYS A 32 2.940 0.018 -9.721 1.00 0.00 C ATOM 449 O LYS A 32 3.797 -0.297 -10.545 1.00 0.00 O ATOM 450 CB LYS A 32 1.949 1.803 -11.167 1.00 0.00 C ATOM 451 CG LYS A 32 0.737 1.063 -11.707 1.00 0.00 C ATOM 452 CD LYS A 32 0.541 1.323 -13.191 1.00 0.00 C ATOM 453 CE LYS A 32 -0.893 1.052 -13.620 1.00 0.00 C ATOM 454 NZ LYS A 32 -1.104 1.345 -15.065 1.00 0.00 N ATOM 0 H LYS A 32 3.412 3.199 -9.758 1.00 0.00 H new ATOM 0 HA LYS A 32 1.413 1.392 -9.125 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.756 2.875 -11.203 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.802 1.610 -11.818 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.857 -0.007 -11.537 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.154 1.375 -11.161 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.800 2.357 -13.418 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.219 0.691 -13.765 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.141 0.009 -13.421 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.572 1.661 -13.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.093 1.148 -15.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.892 2.346 -15.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.474 0.746 -15.636 1.00 0.00 H new ATOM 468 N GLY A 33 2.501 -0.813 -8.780 1.00 0.00 N ATOM 469 CA GLY A 33 3.026 -2.162 -8.679 1.00 0.00 C ATOM 470 C GLY A 33 4.060 -2.301 -7.579 1.00 0.00 C ATOM 471 O GLY A 33 5.122 -2.888 -7.787 1.00 0.00 O ATOM 0 H GLY A 33 1.792 -0.576 -8.086 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.206 -2.855 -8.492 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.473 -2.447 -9.632 1.00 0.00 H new ATOM 475 N ASP A 34 3.751 -1.758 -6.407 1.00 0.00 N ATOM 476 CA ASP A 34 4.662 -1.824 -5.270 1.00 0.00 C ATOM 477 C ASP A 34 4.003 -2.524 -4.086 1.00 0.00 C ATOM 478 O ASP A 34 2.793 -2.417 -3.883 1.00 0.00 O ATOM 479 CB ASP A 34 5.107 -0.418 -4.864 1.00 0.00 C ATOM 480 CG ASP A 34 5.372 -0.302 -3.376 1.00 0.00 C ATOM 481 OD1 ASP A 34 6.043 -1.197 -2.822 1.00 0.00 O ATOM 482 OD2 ASP A 34 4.908 0.684 -2.766 1.00 0.00 O ATOM 0 H ASP A 34 2.877 -1.267 -6.219 1.00 0.00 H new ATOM 0 HA ASP A 34 5.537 -2.401 -5.569 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.011 -0.153 -5.413 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.339 0.300 -5.150 1.00 0.00 H new ATOM 487 N ILE A 35 4.807 -3.241 -3.307 1.00 0.00 N ATOM 488 CA ILE A 35 4.301 -3.958 -2.143 1.00 0.00 C ATOM 489 C ILE A 35 4.686 -3.248 -0.850 1.00 0.00 C ATOM 490 O ILE A 35 5.864 -3.168 -0.501 1.00 0.00 O ATOM 491 CB ILE A 35 4.832 -5.404 -2.099 1.00 0.00 C ATOM 492 CG1 ILE A 35 4.543 -6.117 -3.422 1.00 0.00 C ATOM 493 CG2 ILE A 35 4.209 -6.161 -0.936 1.00 0.00 C ATOM 494 CD1 ILE A 35 3.081 -6.453 -3.620 1.00 0.00 C ATOM 0 H ILE A 35 5.810 -3.341 -3.461 1.00 0.00 H new ATOM 0 HA ILE A 35 3.215 -3.980 -2.233 1.00 0.00 H new ATOM 0 HB ILE A 35 5.912 -5.375 -1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.878 -5.487 -4.246 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.128 -7.036 -3.466 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.594 -7.181 -0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.460 -5.662 -0.000 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.126 -6.184 -1.055 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.950 -6.957 -4.578 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.746 -7.109 -2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.492 -5.536 -3.609 1.00 0.00 H new ATOM 506 N ILE A 36 3.685 -2.735 -0.143 1.00 0.00 N ATOM 507 CA ILE A 36 3.918 -2.034 1.114 1.00 0.00 C ATOM 508 C ILE A 36 3.432 -2.857 2.301 1.00 0.00 C ATOM 509 O ILE A 36 2.242 -3.149 2.422 1.00 0.00 O ATOM 510 CB ILE A 36 3.217 -0.663 1.132 1.00 0.00 C ATOM 511 CG1 ILE A 36 3.707 0.200 -0.032 1.00 0.00 C ATOM 512 CG2 ILE A 36 3.462 0.039 2.459 1.00 0.00 C ATOM 513 CD1 ILE A 36 2.854 1.426 -0.276 1.00 0.00 C ATOM 0 H ILE A 36 2.705 -2.792 -0.419 1.00 0.00 H new ATOM 0 HA ILE A 36 4.994 -1.884 1.196 1.00 0.00 H new ATOM 0 HB ILE A 36 2.144 -0.818 1.018 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.732 0.514 0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.728 -0.405 -0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.960 1.007 2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.069 -0.572 3.272 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.533 0.186 2.601 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.260 1.991 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.833 1.119 -0.505 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.853 2.052 0.616 1.00 0.00 H new ATOM 525 N ASP A 37 4.359 -3.228 3.177 1.00 0.00 N ATOM 526 CA ASP A 37 4.025 -4.016 4.358 1.00 0.00 C ATOM 527 C ASP A 37 3.329 -3.154 5.406 1.00 0.00 C ATOM 528 O ASP A 37 3.973 -2.383 6.118 1.00 0.00 O ATOM 529 CB ASP A 37 5.287 -4.644 4.952 1.00 0.00 C ATOM 530 CG ASP A 37 5.576 -6.017 4.377 1.00 0.00 C ATOM 531 OD1 ASP A 37 5.929 -6.097 3.181 1.00 0.00 O ATOM 532 OD2 ASP A 37 5.450 -7.011 5.122 1.00 0.00 O ATOM 0 H ASP A 37 5.348 -2.996 3.092 1.00 0.00 H new ATOM 0 HA ASP A 37 3.342 -4.810 4.054 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.138 -3.989 4.765 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.176 -4.722 6.034 1.00 0.00 H new ATOM 537 N ILE A 38 2.010 -3.290 5.495 1.00 0.00 N ATOM 538 CA ILE A 38 1.227 -2.524 6.457 1.00 0.00 C ATOM 539 C ILE A 38 1.657 -2.833 7.887 1.00 0.00 C ATOM 540 O ILE A 38 1.377 -3.912 8.410 1.00 0.00 O ATOM 541 CB ILE A 38 -0.279 -2.811 6.312 1.00 0.00 C ATOM 542 CG1 ILE A 38 -0.759 -2.442 4.906 1.00 0.00 C ATOM 543 CG2 ILE A 38 -1.068 -2.046 7.364 1.00 0.00 C ATOM 544 CD1 ILE A 38 -2.097 -3.047 4.546 1.00 0.00 C ATOM 0 H ILE A 38 1.462 -3.923 4.913 1.00 0.00 H new ATOM 0 HA ILE A 38 1.410 -1.471 6.245 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.446 -3.877 6.464 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.827 -1.357 4.827 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.015 -2.768 4.180 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.131 -2.259 7.248 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.742 -2.353 8.358 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.897 -0.977 7.241 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.374 -2.743 3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.029 -4.134 4.592 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.854 -2.701 5.250 1.00 0.00 H new ATOM 556 N ILE A 39 2.337 -1.879 8.513 1.00 0.00 N ATOM 557 CA ILE A 39 2.803 -2.048 9.884 1.00 0.00 C ATOM 558 C ILE A 39 1.706 -1.699 10.884 1.00 0.00 C ATOM 559 O ILE A 39 1.568 -2.347 11.922 1.00 0.00 O ATOM 560 CB ILE A 39 4.040 -1.176 10.170 1.00 0.00 C ATOM 561 CG1 ILE A 39 5.174 -1.530 9.205 1.00 0.00 C ATOM 562 CG2 ILE A 39 4.490 -1.352 11.612 1.00 0.00 C ATOM 563 CD1 ILE A 39 6.312 -0.534 9.220 1.00 0.00 C ATOM 0 H ILE A 39 2.578 -0.981 8.093 1.00 0.00 H new ATOM 0 HA ILE A 39 3.075 -3.097 9.998 1.00 0.00 H new ATOM 0 HB ILE A 39 3.772 -0.130 10.019 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.562 -2.517 9.459 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.773 -1.596 8.194 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.365 -0.729 11.799 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.684 -1.056 12.283 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.744 -2.397 11.789 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.080 -0.848 8.513 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.938 0.450 8.937 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.740 -0.485 10.221 1.00 0.00 H new ATOM 575 N SER A 40 0.927 -0.670 10.565 1.00 0.00 N ATOM 576 CA SER A 40 -0.157 -0.232 11.437 1.00 0.00 C ATOM 577 C SER A 40 -1.217 0.528 10.646 1.00 0.00 C ATOM 578 O SER A 40 -0.925 1.536 10.003 1.00 0.00 O ATOM 579 CB SER A 40 0.389 0.651 12.560 1.00 0.00 C ATOM 580 OG SER A 40 -0.645 1.051 13.443 1.00 0.00 O ATOM 0 H SER A 40 1.026 -0.124 9.709 1.00 0.00 H new ATOM 0 HA SER A 40 -0.620 -1.117 11.873 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.155 0.108 13.114 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.868 1.532 12.134 1.00 0.00 H new ATOM 0 HG SER A 40 -0.270 1.613 14.153 1.00 0.00 H new ATOM 586 N LYS A 41 -2.450 0.036 10.697 1.00 0.00 N ATOM 587 CA LYS A 41 -3.556 0.668 9.988 1.00 0.00 C ATOM 588 C LYS A 41 -4.602 1.192 10.967 1.00 0.00 C ATOM 589 O LYS A 41 -5.394 0.437 11.531 1.00 0.00 O ATOM 590 CB LYS A 41 -4.202 -0.327 9.020 1.00 0.00 C ATOM 591 CG LYS A 41 -4.435 -1.700 9.625 1.00 0.00 C ATOM 592 CD LYS A 41 -5.384 -2.530 8.776 1.00 0.00 C ATOM 593 CE LYS A 41 -4.633 -3.340 7.730 1.00 0.00 C ATOM 594 NZ LYS A 41 -3.747 -4.362 8.352 1.00 0.00 N ATOM 0 H LYS A 41 -2.709 -0.799 11.222 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.158 1.511 9.423 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.155 0.077 8.679 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.567 -0.430 8.140 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.483 -2.221 9.724 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.844 -1.591 10.629 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.954 -3.202 9.417 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.102 -1.874 8.283 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.347 -3.832 7.070 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.036 -2.670 7.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.855 -4.419 7.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.546 -4.094 9.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.220 -5.288 8.335 1.00 0.00 H new ATOM 608 N PRO A 42 -4.608 2.518 11.173 1.00 0.00 N ATOM 609 CA PRO A 42 -5.552 3.173 12.083 1.00 0.00 C ATOM 610 C PRO A 42 -6.981 3.151 11.549 1.00 0.00 C ATOM 611 O PRO A 42 -7.232 2.809 10.394 1.00 0.00 O ATOM 612 CB PRO A 42 -5.032 4.610 12.160 1.00 0.00 C ATOM 613 CG PRO A 42 -4.291 4.814 10.883 1.00 0.00 C ATOM 614 CD PRO A 42 -3.692 3.479 10.535 1.00 0.00 C ATOM 0 HA PRO A 42 -5.602 2.671 13.049 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.851 5.322 12.261 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.380 4.749 13.022 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.960 5.159 10.095 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.516 5.572 10.998 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.641 3.330 9.456 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.676 3.382 10.919 1.00 0.00 H new ATOM 622 N PRO A 43 -7.940 3.526 12.408 1.00 0.00 N ATOM 623 CA PRO A 43 -9.360 3.559 12.044 1.00 0.00 C ATOM 624 C PRO A 43 -9.678 4.672 11.052 1.00 0.00 C ATOM 625 O PRO A 43 -10.302 4.434 10.018 1.00 0.00 O ATOM 626 CB PRO A 43 -10.062 3.817 13.380 1.00 0.00 C ATOM 627 CG PRO A 43 -9.043 4.511 14.216 1.00 0.00 C ATOM 628 CD PRO A 43 -7.713 3.947 13.801 1.00 0.00 C ATOM 0 HA PRO A 43 -9.676 2.640 11.551 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -10.951 4.433 13.247 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.386 2.885 13.843 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.076 5.589 14.057 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.226 4.339 15.277 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.921 4.692 13.871 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.418 3.108 14.431 1.00 0.00 H new ATOM 636 N MET A 44 -9.244 5.886 11.372 1.00 0.00 N ATOM 637 CA MET A 44 -9.482 7.035 10.506 1.00 0.00 C ATOM 638 C MET A 44 -8.250 7.931 10.441 1.00 0.00 C ATOM 639 O MET A 44 -7.815 8.480 11.453 1.00 0.00 O ATOM 640 CB MET A 44 -10.685 7.838 11.007 1.00 0.00 C ATOM 641 CG MET A 44 -11.314 8.719 9.940 1.00 0.00 C ATOM 642 SD MET A 44 -10.526 10.336 9.821 1.00 0.00 S ATOM 643 CE MET A 44 -11.721 11.223 8.825 1.00 0.00 C ATOM 0 H MET A 44 -8.726 6.100 12.224 1.00 0.00 H new ATOM 0 HA MET A 44 -9.694 6.665 9.503 1.00 0.00 H new ATOM 0 HB2 MET A 44 -11.438 7.149 11.388 1.00 0.00 H new ATOM 0 HB3 MET A 44 -10.372 8.462 11.844 1.00 0.00 H new ATOM 0 HG2 MET A 44 -11.250 8.216 8.975 1.00 0.00 H new ATOM 0 HG3 MET A 44 -12.373 8.851 10.161 1.00 0.00 H new ATOM 0 HE1 MET A 44 -11.374 12.244 8.664 1.00 0.00 H new ATOM 0 HE2 MET A 44 -11.836 10.723 7.863 1.00 0.00 H new ATOM 0 HE3 MET A 44 -12.681 11.243 9.341 1.00 0.00 H new ATOM 653 N GLY A 45 -7.690 8.075 9.243 1.00 0.00 N ATOM 654 CA GLY A 45 -6.513 8.905 9.069 1.00 0.00 C ATOM 655 C GLY A 45 -5.558 8.347 8.032 1.00 0.00 C ATOM 656 O GLY A 45 -5.985 7.822 7.003 1.00 0.00 O ATOM 0 H GLY A 45 -8.031 7.631 8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.820 9.908 8.773 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.994 8.999 10.023 1.00 0.00 H new ATOM 660 N THR A 46 -4.261 8.462 8.300 1.00 0.00 N ATOM 661 CA THR A 46 -3.244 7.968 7.382 1.00 0.00 C ATOM 662 C THR A 46 -2.774 6.574 7.779 1.00 0.00 C ATOM 663 O THR A 46 -2.987 6.136 8.910 1.00 0.00 O ATOM 664 CB THR A 46 -2.027 8.912 7.330 1.00 0.00 C ATOM 665 OG1 THR A 46 -2.466 10.274 7.265 1.00 0.00 O ATOM 666 CG2 THR A 46 -1.149 8.598 6.128 1.00 0.00 C ATOM 0 H THR A 46 -3.891 8.894 9.147 1.00 0.00 H new ATOM 0 HA THR A 46 -3.704 7.926 6.395 1.00 0.00 H new ATOM 0 HB THR A 46 -1.440 8.763 8.236 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.687 10.868 7.234 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.297 9.277 6.113 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.793 7.570 6.196 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.728 8.721 5.213 1.00 0.00 H new ATOM 674 N TRP A 47 -2.135 5.881 6.844 1.00 0.00 N ATOM 675 CA TRP A 47 -1.634 4.535 7.098 1.00 0.00 C ATOM 676 C TRP A 47 -0.111 4.524 7.168 1.00 0.00 C ATOM 677 O TRP A 47 0.546 5.454 6.702 1.00 0.00 O ATOM 678 CB TRP A 47 -2.114 3.576 6.008 1.00 0.00 C ATOM 679 CG TRP A 47 -3.492 3.039 6.253 1.00 0.00 C ATOM 680 CD1 TRP A 47 -4.466 3.604 7.026 1.00 0.00 C ATOM 681 CD2 TRP A 47 -4.047 1.829 5.725 1.00 0.00 C ATOM 682 NE1 TRP A 47 -5.594 2.818 7.009 1.00 0.00 N ATOM 683 CE2 TRP A 47 -5.362 1.724 6.218 1.00 0.00 C ATOM 684 CE3 TRP A 47 -3.562 0.826 4.881 1.00 0.00 C ATOM 685 CZ2 TRP A 47 -6.195 0.656 5.895 1.00 0.00 C ATOM 686 CZ3 TRP A 47 -4.389 -0.234 4.563 1.00 0.00 C ATOM 687 CH2 TRP A 47 -5.694 -0.312 5.068 1.00 0.00 C ATOM 0 H TRP A 47 -1.951 6.229 5.903 1.00 0.00 H new ATOM 0 HA TRP A 47 -2.025 4.205 8.060 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -2.098 4.092 5.048 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.415 2.743 5.934 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -4.365 4.531 7.570 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.463 3.017 7.505 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -2.559 0.879 4.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.201 0.594 6.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.024 -1.016 3.914 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.316 -1.153 4.799 1.00 0.00 H new ATOM 698 N MET A 48 0.443 3.467 7.751 1.00 0.00 N ATOM 699 CA MET A 48 1.890 3.336 7.879 1.00 0.00 C ATOM 700 C MET A 48 2.376 2.033 7.252 1.00 0.00 C ATOM 701 O MET A 48 1.794 0.972 7.472 1.00 0.00 O ATOM 702 CB MET A 48 2.300 3.390 9.352 1.00 0.00 C ATOM 703 CG MET A 48 3.801 3.295 9.569 1.00 0.00 C ATOM 704 SD MET A 48 4.278 3.623 11.277 1.00 0.00 S ATOM 705 CE MET A 48 4.530 5.396 11.224 1.00 0.00 C ATOM 0 H MET A 48 -0.087 2.689 8.142 1.00 0.00 H new ATOM 0 HA MET A 48 2.353 4.168 7.349 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.936 4.321 9.788 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.812 2.575 9.887 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.143 2.300 9.285 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.305 4.004 8.912 1.00 0.00 H new ATOM 0 HE1 MET A 48 4.830 5.750 12.210 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.311 5.631 10.501 1.00 0.00 H new ATOM 0 HE3 MET A 48 3.603 5.887 10.929 1.00 0.00 H new ATOM 715 N GLY A 49 3.446 2.122 6.468 1.00 0.00 N ATOM 716 CA GLY A 49 3.991 0.943 5.820 1.00 0.00 C ATOM 717 C GLY A 49 5.454 1.106 5.456 1.00 0.00 C ATOM 718 O GLY A 49 5.942 2.226 5.301 1.00 0.00 O ATOM 0 H GLY A 49 3.945 2.989 6.270 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.878 0.084 6.481 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.417 0.730 4.918 1.00 0.00 H new ATOM 722 N LEU A 50 6.156 -0.014 5.322 1.00 0.00 N ATOM 723 CA LEU A 50 7.573 0.009 4.976 1.00 0.00 C ATOM 724 C LEU A 50 7.772 -0.219 3.481 1.00 0.00 C ATOM 725 O LEU A 50 7.201 -1.144 2.902 1.00 0.00 O ATOM 726 CB LEU A 50 8.329 -1.057 5.771 1.00 0.00 C ATOM 727 CG LEU A 50 9.855 -0.957 5.745 1.00 0.00 C ATOM 728 CD1 LEU A 50 10.319 0.313 6.443 1.00 0.00 C ATOM 729 CD2 LEU A 50 10.481 -2.183 6.394 1.00 0.00 C ATOM 0 H LEU A 50 5.767 -0.949 5.448 1.00 0.00 H new ATOM 0 HA LEU A 50 7.968 0.992 5.231 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.999 -1.010 6.809 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.042 -2.037 5.390 1.00 0.00 H new ATOM 0 HG LEU A 50 10.179 -0.915 4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.407 0.367 6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.899 1.181 5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.983 0.302 7.480 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.567 -2.095 6.367 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.149 -2.256 7.430 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.176 -3.078 5.851 1.00 0.00 H new ATOM 741 N LEU A 51 8.587 0.628 2.862 1.00 0.00 N ATOM 742 CA LEU A 51 8.864 0.518 1.434 1.00 0.00 C ATOM 743 C LEU A 51 10.291 0.955 1.121 1.00 0.00 C ATOM 744 O LEU A 51 10.698 2.066 1.459 1.00 0.00 O ATOM 745 CB LEU A 51 7.872 1.364 0.635 1.00 0.00 C ATOM 746 CG LEU A 51 8.252 1.652 -0.817 1.00 0.00 C ATOM 747 CD1 LEU A 51 8.304 0.362 -1.622 1.00 0.00 C ATOM 748 CD2 LEU A 51 7.270 2.633 -1.442 1.00 0.00 C ATOM 0 H LEU A 51 9.068 1.399 3.327 1.00 0.00 H new ATOM 0 HA LEU A 51 8.753 -0.528 1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.906 0.859 0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.739 2.315 1.150 1.00 0.00 H new ATOM 0 HG LEU A 51 9.244 2.104 -0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.576 0.587 -2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.047 -0.308 -1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.326 -0.119 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.557 2.826 -2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.266 2.209 -1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.283 3.568 -0.881 1.00 0.00 H new ATOM 760 N ASN A 52 11.045 0.075 0.471 1.00 0.00 N ATOM 761 CA ASN A 52 12.427 0.372 0.110 1.00 0.00 C ATOM 762 C ASN A 52 13.237 0.772 1.340 1.00 0.00 C ATOM 763 O ASN A 52 13.999 1.737 1.306 1.00 0.00 O ATOM 764 CB ASN A 52 12.475 1.491 -0.932 1.00 0.00 C ATOM 765 CG ASN A 52 11.995 1.033 -2.296 1.00 0.00 C ATOM 766 OD1 ASN A 52 12.090 -0.147 -2.636 1.00 0.00 O ATOM 767 ND2 ASN A 52 11.474 1.966 -3.084 1.00 0.00 N ATOM 0 H ASN A 52 10.723 -0.849 0.183 1.00 0.00 H new ATOM 0 HA ASN A 52 12.867 -0.530 -0.315 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.859 2.325 -0.594 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.496 1.862 -1.015 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.133 1.717 -4.012 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.415 2.932 -2.761 1.00 0.00 H new ATOM 774 N ASN A 53 13.064 0.023 2.424 1.00 0.00 N ATOM 775 CA ASN A 53 13.779 0.299 3.665 1.00 0.00 C ATOM 776 C ASN A 53 13.426 1.684 4.199 1.00 0.00 C ATOM 777 O ASN A 53 14.289 2.409 4.695 1.00 0.00 O ATOM 778 CB ASN A 53 15.289 0.195 3.442 1.00 0.00 C ATOM 779 CG ASN A 53 15.783 -1.238 3.486 1.00 0.00 C ATOM 780 OD1 ASN A 53 15.111 -2.121 4.021 1.00 0.00 O ATOM 781 ND2 ASN A 53 16.962 -1.475 2.924 1.00 0.00 N ATOM 0 H ASN A 53 12.435 -0.779 2.468 1.00 0.00 H new ATOM 0 HA ASN A 53 13.476 -0.444 4.403 1.00 0.00 H new ATOM 0 HB2 ASN A 53 15.542 0.634 2.477 1.00 0.00 H new ATOM 0 HB3 ASN A 53 15.807 0.778 4.203 1.00 0.00 H new ATOM 0 HD21 ASN A 53 17.346 -2.420 2.924 1.00 0.00 H new ATOM 0 HD22 ASN A 53 17.484 -0.712 2.492 1.00 0.00 H new ATOM 788 N LYS A 54 12.152 2.046 4.094 1.00 0.00 N ATOM 789 CA LYS A 54 11.683 3.343 4.567 1.00 0.00 C ATOM 790 C LYS A 54 10.203 3.287 4.929 1.00 0.00 C ATOM 791 O LYS A 54 9.361 2.957 4.094 1.00 0.00 O ATOM 792 CB LYS A 54 11.918 4.414 3.500 1.00 0.00 C ATOM 793 CG LYS A 54 11.436 5.795 3.907 1.00 0.00 C ATOM 794 CD LYS A 54 11.308 6.718 2.707 1.00 0.00 C ATOM 795 CE LYS A 54 11.225 8.176 3.132 1.00 0.00 C ATOM 796 NZ LYS A 54 12.454 8.617 3.847 1.00 0.00 N ATOM 0 H LYS A 54 11.425 1.459 3.685 1.00 0.00 H new ATOM 0 HA LYS A 54 12.249 3.601 5.462 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.983 4.462 3.274 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.411 4.117 2.582 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.471 5.712 4.407 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.132 6.227 4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.164 6.579 2.046 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.418 6.453 2.136 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.072 8.802 2.253 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.359 8.317 3.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.562 9.647 3.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.377 8.371 4.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.283 8.142 3.438 1.00 0.00 H new ATOM 810 N VAL A 55 9.891 3.613 6.180 1.00 0.00 N ATOM 811 CA VAL A 55 8.511 3.602 6.652 1.00 0.00 C ATOM 812 C VAL A 55 8.055 5.002 7.048 1.00 0.00 C ATOM 813 O VAL A 55 8.637 5.629 7.932 1.00 0.00 O ATOM 814 CB VAL A 55 8.337 2.658 7.856 1.00 0.00 C ATOM 815 CG1 VAL A 55 9.257 3.069 8.995 1.00 0.00 C ATOM 816 CG2 VAL A 55 6.886 2.638 8.311 1.00 0.00 C ATOM 0 H VAL A 55 10.575 3.888 6.885 1.00 0.00 H new ATOM 0 HA VAL A 55 7.897 3.242 5.826 1.00 0.00 H new ATOM 0 HB VAL A 55 8.611 1.649 7.547 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.120 2.390 9.837 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.293 3.026 8.659 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.019 4.086 9.306 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.781 1.966 9.163 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.582 3.643 8.603 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.253 2.290 7.494 1.00 0.00 H new ATOM 826 N GLY A 56 7.009 5.487 6.387 1.00 0.00 N ATOM 827 CA GLY A 56 6.491 6.810 6.684 1.00 0.00 C ATOM 828 C GLY A 56 4.980 6.828 6.804 1.00 0.00 C ATOM 829 O GLY A 56 4.416 6.242 7.729 1.00 0.00 O ATOM 0 H GLY A 56 6.511 4.987 5.651 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.931 7.168 7.615 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.798 7.502 5.900 1.00 0.00 H new ATOM 833 N THR A 57 4.322 7.504 5.868 1.00 0.00 N ATOM 834 CA THR A 57 2.867 7.599 5.874 1.00 0.00 C ATOM 835 C THR A 57 2.306 7.531 4.458 1.00 0.00 C ATOM 836 O THR A 57 2.918 8.027 3.512 1.00 0.00 O ATOM 837 CB THR A 57 2.392 8.903 6.540 1.00 0.00 C ATOM 838 OG1 THR A 57 3.019 10.029 5.915 1.00 0.00 O ATOM 839 CG2 THR A 57 2.713 8.899 8.027 1.00 0.00 C ATOM 0 H THR A 57 4.773 7.994 5.096 1.00 0.00 H new ATOM 0 HA THR A 57 2.497 6.750 6.450 1.00 0.00 H new ATOM 0 HB THR A 57 1.311 8.975 6.418 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.710 10.855 6.343 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.368 9.830 8.476 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.211 8.058 8.505 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.790 8.806 8.166 1.00 0.00 H new ATOM 847 N PHE A 58 1.137 6.915 4.319 1.00 0.00 N ATOM 848 CA PHE A 58 0.492 6.782 3.018 1.00 0.00 C ATOM 849 C PHE A 58 -1.007 6.548 3.175 1.00 0.00 C ATOM 850 O PHE A 58 -1.461 6.009 4.184 1.00 0.00 O ATOM 851 CB PHE A 58 1.120 5.631 2.229 1.00 0.00 C ATOM 852 CG PHE A 58 0.724 4.273 2.734 1.00 0.00 C ATOM 853 CD1 PHE A 58 0.856 3.952 4.076 1.00 0.00 C ATOM 854 CD2 PHE A 58 0.221 3.316 1.868 1.00 0.00 C ATOM 855 CE1 PHE A 58 0.492 2.704 4.544 1.00 0.00 C ATOM 856 CE2 PHE A 58 -0.145 2.066 2.330 1.00 0.00 C ATOM 857 CZ PHE A 58 -0.008 1.759 3.670 1.00 0.00 C ATOM 0 H PHE A 58 0.617 6.500 5.092 1.00 0.00 H new ATOM 0 HA PHE A 58 0.641 7.712 2.470 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.831 5.719 1.182 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.205 5.723 2.269 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.248 4.686 4.764 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.114 3.550 0.819 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.598 2.468 5.592 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.538 1.330 1.644 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.291 0.782 4.033 1.00 0.00 H new ATOM 867 N LYS A 59 -1.772 6.959 2.169 1.00 0.00 N ATOM 868 CA LYS A 59 -3.221 6.795 2.192 1.00 0.00 C ATOM 869 C LYS A 59 -3.632 5.491 1.517 1.00 0.00 C ATOM 870 O LYS A 59 -3.036 5.082 0.520 1.00 0.00 O ATOM 871 CB LYS A 59 -3.900 7.978 1.498 1.00 0.00 C ATOM 872 CG LYS A 59 -3.517 9.327 2.080 1.00 0.00 C ATOM 873 CD LYS A 59 -2.242 9.864 1.451 1.00 0.00 C ATOM 874 CE LYS A 59 -2.100 11.362 1.669 1.00 0.00 C ATOM 875 NZ LYS A 59 -2.895 12.144 0.682 1.00 0.00 N ATOM 0 H LYS A 59 -1.412 7.408 1.327 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.541 6.760 3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.643 7.963 0.439 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.981 7.856 1.566 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.329 10.037 1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.381 9.234 3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.381 9.350 1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.244 9.650 0.382 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.425 11.614 2.678 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.049 11.642 1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.772 13.160 0.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.568 11.923 -0.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.901 11.896 0.772 1.00 0.00 H new ATOM 889 N PHE A 60 -4.654 4.842 2.065 1.00 0.00 N ATOM 890 CA PHE A 60 -5.145 3.584 1.515 1.00 0.00 C ATOM 891 C PHE A 60 -5.818 3.807 0.164 1.00 0.00 C ATOM 892 O PHE A 60 -6.068 2.859 -0.581 1.00 0.00 O ATOM 893 CB PHE A 60 -6.129 2.928 2.485 1.00 0.00 C ATOM 894 CG PHE A 60 -7.063 3.904 3.143 1.00 0.00 C ATOM 895 CD1 PHE A 60 -8.219 4.317 2.500 1.00 0.00 C ATOM 896 CD2 PHE A 60 -6.785 4.407 4.403 1.00 0.00 C ATOM 897 CE1 PHE A 60 -9.080 5.215 3.102 1.00 0.00 C ATOM 898 CE2 PHE A 60 -7.643 5.304 5.010 1.00 0.00 C ATOM 899 CZ PHE A 60 -8.792 5.710 4.359 1.00 0.00 C ATOM 0 H PHE A 60 -5.158 5.167 2.890 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.291 2.922 1.371 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -6.715 2.183 1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.569 2.398 3.255 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.450 3.933 1.517 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -5.888 4.095 4.917 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -9.977 5.529 2.590 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -7.415 5.688 5.994 1.00 0.00 H new ATOM 0 HZ PHE A 60 -9.463 6.412 4.831 1.00 0.00 H new ATOM 909 N ILE A 61 -6.108 5.066 -0.145 1.00 0.00 N ATOM 910 CA ILE A 61 -6.751 5.414 -1.406 1.00 0.00 C ATOM 911 C ILE A 61 -5.800 5.216 -2.582 1.00 0.00 C ATOM 912 O ILE A 61 -6.225 5.163 -3.736 1.00 0.00 O ATOM 913 CB ILE A 61 -7.246 6.873 -1.402 1.00 0.00 C ATOM 914 CG1 ILE A 61 -6.060 7.837 -1.337 1.00 0.00 C ATOM 915 CG2 ILE A 61 -8.191 7.108 -0.233 1.00 0.00 C ATOM 916 CD1 ILE A 61 -6.458 9.292 -1.445 1.00 0.00 C ATOM 0 H ILE A 61 -5.908 5.862 0.460 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.607 4.748 -1.517 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.791 7.059 -2.328 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.528 7.683 -0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.364 7.598 -2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.532 8.143 -0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.049 6.442 -0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.669 6.908 0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.567 9.918 -1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.964 9.461 -2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.130 9.547 -0.626 1.00 0.00 H new ATOM 928 N TYR A 62 -4.511 5.104 -2.280 1.00 0.00 N ATOM 929 CA TYR A 62 -3.499 4.912 -3.312 1.00 0.00 C ATOM 930 C TYR A 62 -2.997 3.471 -3.321 1.00 0.00 C ATOM 931 O TYR A 62 -1.946 3.170 -3.886 1.00 0.00 O ATOM 932 CB TYR A 62 -2.327 5.870 -3.091 1.00 0.00 C ATOM 933 CG TYR A 62 -2.701 7.328 -3.234 1.00 0.00 C ATOM 934 CD1 TYR A 62 -3.228 7.816 -4.423 1.00 0.00 C ATOM 935 CD2 TYR A 62 -2.529 8.216 -2.180 1.00 0.00 C ATOM 936 CE1 TYR A 62 -3.570 9.148 -4.559 1.00 0.00 C ATOM 937 CE2 TYR A 62 -2.871 9.549 -2.306 1.00 0.00 C ATOM 938 CZ TYR A 62 -3.390 10.010 -3.497 1.00 0.00 C ATOM 939 OH TYR A 62 -3.732 11.336 -3.628 1.00 0.00 O ATOM 0 H TYR A 62 -4.143 5.143 -1.330 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.957 5.125 -4.278 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.917 5.705 -2.095 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.537 5.635 -3.804 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.373 7.143 -5.255 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.121 7.859 -1.246 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.976 9.512 -5.491 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.732 10.226 -1.476 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.544 11.807 -2.789 1.00 0.00 H new ATOM 949 N VAL A 63 -3.759 2.582 -2.690 1.00 0.00 N ATOM 950 CA VAL A 63 -3.395 1.172 -2.626 1.00 0.00 C ATOM 951 C VAL A 63 -4.627 0.294 -2.442 1.00 0.00 C ATOM 952 O VAL A 63 -5.707 0.784 -2.111 1.00 0.00 O ATOM 953 CB VAL A 63 -2.407 0.899 -1.476 1.00 0.00 C ATOM 954 CG1 VAL A 63 -1.238 1.870 -1.534 1.00 0.00 C ATOM 955 CG2 VAL A 63 -3.117 0.986 -0.133 1.00 0.00 C ATOM 0 H VAL A 63 -4.632 2.814 -2.216 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.915 0.926 -3.573 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.014 -0.111 -1.589 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.551 1.662 -0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.715 1.754 -2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.609 2.891 -1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.405 0.791 0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.539 1.983 -0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.917 0.247 -0.096 1.00 0.00 H new ATOM 965 N ASP A 64 -4.458 -1.006 -2.658 1.00 0.00 N ATOM 966 CA ASP A 64 -5.557 -1.954 -2.514 1.00 0.00 C ATOM 967 C ASP A 64 -5.160 -3.112 -1.604 1.00 0.00 C ATOM 968 O ASP A 64 -4.258 -3.886 -1.924 1.00 0.00 O ATOM 969 CB ASP A 64 -5.981 -2.487 -3.884 1.00 0.00 C ATOM 970 CG ASP A 64 -7.034 -1.618 -4.543 1.00 0.00 C ATOM 971 OD1 ASP A 64 -6.916 -0.378 -4.459 1.00 0.00 O ATOM 972 OD2 ASP A 64 -7.975 -2.178 -5.143 1.00 0.00 O ATOM 0 H ASP A 64 -3.571 -1.427 -2.933 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.399 -1.431 -2.060 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.107 -2.549 -4.533 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.368 -3.500 -3.773 1.00 0.00 H new ATOM 977 N VAL A 65 -5.840 -3.224 -0.467 1.00 0.00 N ATOM 978 CA VAL A 65 -5.558 -4.288 0.490 1.00 0.00 C ATOM 979 C VAL A 65 -5.864 -5.658 -0.105 1.00 0.00 C ATOM 980 O VAL A 65 -7.024 -6.003 -0.334 1.00 0.00 O ATOM 981 CB VAL A 65 -6.375 -4.109 1.784 1.00 0.00 C ATOM 982 CG1 VAL A 65 -6.119 -5.263 2.741 1.00 0.00 C ATOM 983 CG2 VAL A 65 -6.045 -2.777 2.442 1.00 0.00 C ATOM 0 H VAL A 65 -6.589 -2.592 -0.186 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.496 -4.227 0.727 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.434 -4.109 1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.704 -5.119 3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.409 -6.200 2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.059 -5.298 2.994 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.631 -2.667 3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.983 -2.745 2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.284 -1.964 1.757 1.00 0.00 H new ATOM 993 N LEU A 66 -4.816 -6.435 -0.354 1.00 0.00 N ATOM 994 CA LEU A 66 -4.971 -7.770 -0.922 1.00 0.00 C ATOM 995 C LEU A 66 -5.449 -8.760 0.135 1.00 0.00 C ATOM 996 O LEU A 66 -4.887 -8.837 1.227 1.00 0.00 O ATOM 997 CB LEU A 66 -3.647 -8.247 -1.523 1.00 0.00 C ATOM 998 CG LEU A 66 -2.988 -7.303 -2.529 1.00 0.00 C ATOM 999 CD1 LEU A 66 -1.526 -7.672 -2.728 1.00 0.00 C ATOM 1000 CD2 LEU A 66 -3.733 -7.332 -3.855 1.00 0.00 C ATOM 0 H LEU A 66 -3.850 -6.164 -0.172 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.723 -7.718 -1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.945 -8.426 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.818 -9.206 -2.013 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.035 -6.289 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.073 -6.990 -3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.999 -7.598 -1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.456 -8.693 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.250 -6.654 -4.559 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.719 -8.345 -4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.765 -7.018 -3.699 1.00 0.00 H new ATOM 1012 N SER A 67 -6.489 -9.517 -0.199 1.00 0.00 N ATOM 1013 CA SER A 67 -7.044 -10.502 0.723 1.00 0.00 C ATOM 1014 C SER A 67 -7.567 -11.719 -0.034 1.00 0.00 C ATOM 1015 O SER A 67 -8.253 -11.587 -1.048 1.00 0.00 O ATOM 1016 CB SER A 67 -8.170 -9.879 1.551 1.00 0.00 C ATOM 1017 OG SER A 67 -9.314 -9.633 0.752 1.00 0.00 O ATOM 0 H SER A 67 -6.964 -9.468 -1.100 1.00 0.00 H new ATOM 0 HA SER A 67 -6.248 -10.827 1.393 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.433 -10.545 2.373 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.825 -8.945 1.995 1.00 0.00 H new ATOM 0 HG SER A 67 -10.020 -9.237 1.304 1.00 0.00 H new ATOM 1023 N SER A 68 -7.238 -12.906 0.467 1.00 0.00 N ATOM 1024 CA SER A 68 -7.670 -14.148 -0.163 1.00 0.00 C ATOM 1025 C SER A 68 -8.039 -15.190 0.889 1.00 0.00 C ATOM 1026 O SER A 68 -7.601 -15.113 2.036 1.00 0.00 O ATOM 1027 CB SER A 68 -6.569 -14.694 -1.073 1.00 0.00 C ATOM 1028 OG SER A 68 -7.072 -15.696 -1.939 1.00 0.00 O ATOM 0 H SER A 68 -6.674 -13.033 1.307 1.00 0.00 H new ATOM 0 HA SER A 68 -8.554 -13.933 -0.764 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.143 -13.881 -1.661 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.762 -15.105 -0.466 1.00 0.00 H new ATOM 0 HG SER A 68 -6.349 -16.027 -2.511 1.00 0.00 H new ATOM 1034 N GLY A 69 -8.850 -16.165 0.488 1.00 0.00 N ATOM 1035 CA GLY A 69 -9.265 -17.209 1.406 1.00 0.00 C ATOM 1036 C GLY A 69 -8.142 -17.658 2.320 1.00 0.00 C ATOM 1037 O GLY A 69 -6.961 -17.518 2.003 1.00 0.00 O ATOM 0 H GLY A 69 -9.227 -16.250 -0.456 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.098 -16.848 2.009 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -9.630 -18.064 0.837 1.00 0.00 H new ATOM 1041 N PRO A 70 -8.508 -18.210 3.486 1.00 0.00 N ATOM 1042 CA PRO A 70 -7.537 -18.691 4.474 1.00 0.00 C ATOM 1043 C PRO A 70 -6.800 -19.939 4.002 1.00 0.00 C ATOM 1044 O PRO A 70 -7.394 -21.009 3.868 1.00 0.00 O ATOM 1045 CB PRO A 70 -8.403 -19.011 5.695 1.00 0.00 C ATOM 1046 CG PRO A 70 -9.755 -19.293 5.138 1.00 0.00 C ATOM 1047 CD PRO A 70 -9.898 -18.409 3.930 1.00 0.00 C ATOM 0 HA PRO A 70 -6.756 -17.956 4.669 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.014 -19.869 6.242 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.429 -18.174 6.392 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.854 -20.344 4.866 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.532 -19.079 5.872 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.503 -18.881 3.156 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -10.380 -17.463 4.179 1.00 0.00 H new ATOM 1055 N SER A 71 -5.503 -19.795 3.751 1.00 0.00 N ATOM 1056 CA SER A 71 -4.685 -20.911 3.290 1.00 0.00 C ATOM 1057 C SER A 71 -4.470 -21.925 4.409 1.00 0.00 C ATOM 1058 O SER A 71 -4.263 -21.556 5.565 1.00 0.00 O ATOM 1059 CB SER A 71 -3.335 -20.405 2.779 1.00 0.00 C ATOM 1060 OG SER A 71 -3.504 -19.495 1.705 1.00 0.00 O ATOM 0 H SER A 71 -4.996 -18.917 3.859 1.00 0.00 H new ATOM 0 HA SER A 71 -5.213 -21.403 2.473 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.795 -19.918 3.591 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.727 -21.249 2.453 1.00 0.00 H new ATOM 0 HG SER A 71 -2.627 -19.185 1.398 1.00 0.00 H new ATOM 1066 N SER A 72 -4.520 -23.206 4.057 1.00 0.00 N ATOM 1067 CA SER A 72 -4.335 -24.275 5.031 1.00 0.00 C ATOM 1068 C SER A 72 -3.157 -23.973 5.952 1.00 0.00 C ATOM 1069 O SER A 72 -3.317 -23.855 7.166 1.00 0.00 O ATOM 1070 CB SER A 72 -4.110 -25.610 4.318 1.00 0.00 C ATOM 1071 OG SER A 72 -5.330 -26.136 3.824 1.00 0.00 O ATOM 0 H SER A 72 -4.687 -23.529 3.104 1.00 0.00 H new ATOM 0 HA SER A 72 -5.239 -24.342 5.636 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.410 -25.472 3.494 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.656 -26.322 5.007 1.00 0.00 H new ATOM 0 HG SER A 72 -5.159 -26.988 3.371 1.00 0.00 H new ATOM 1077 N GLY A 73 -1.971 -23.848 5.363 1.00 0.00 N ATOM 1078 CA GLY A 73 -0.782 -23.561 6.145 1.00 0.00 C ATOM 1079 C GLY A 73 -0.563 -22.074 6.342 1.00 0.00 C ATOM 1080 O GLY A 73 0.409 -21.511 5.837 1.00 0.00 O ATOM 0 H GLY A 73 -1.813 -23.940 4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.865 -24.045 7.118 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.088 -23.991 5.649 1.00 0.00 H new TER 1084 GLY A 73