USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=23 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 21 SER OG : rot -134:sc= 0.593 USER MOD Set 1.2: A 23 TYR OH : rot 180:sc= 0.0902 USER MOD Set 2.1: A 15 HIS : no HD1:sc= -1.93 K(o=-0.73,f=-6.3!) USER MOD Set 2.2: A 16 THR OG1 : rot 72:sc= 1.2 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0897 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 9 CYS SG : rot 170:sc= 0 USER MOD Single : A 19 THR OG1 : rot 50:sc= 0.331 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0612 USER MOD Single : A 27 SER OG : rot 30:sc= -3.48! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -151:sc= -0.0994 (180deg=-0.851) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0049) 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= -0.101 K(o=-0.1,f=-2.1!) USER MOD Single : A 53 ASN : amide:sc= -0.167 K(o=-0.17,f=-1.6!) USER MOD Single : A 54 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0767) 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= -0.122 USER MOD Single : A 68 SER OG : rot -89:sc= 0.201 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 1.847 -21.516 13.427 1.00 0.00 N ATOM 2 CA GLY A 1 2.346 -21.042 14.705 1.00 0.00 C ATOM 3 C GLY A 1 1.512 -19.910 15.269 1.00 0.00 C ATOM 4 O GLY A 1 0.538 -19.480 14.651 1.00 0.00 O ATOM 0 H1 GLY A 1 1.597 -22.522 13.504 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.004 -20.969 13.159 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.582 -21.397 12.701 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.359 -21.868 15.416 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.376 -20.706 14.587 1.00 0.00 H new ATOM 8 N SER A 2 1.893 -19.426 16.447 1.00 0.00 N ATOM 9 CA SER A 2 1.169 -18.340 17.097 1.00 0.00 C ATOM 10 C SER A 2 1.608 -16.987 16.545 1.00 0.00 C ATOM 11 O SER A 2 0.778 -16.135 16.227 1.00 0.00 O ATOM 12 CB SER A 2 1.394 -18.383 18.610 1.00 0.00 C ATOM 13 OG SER A 2 1.114 -19.671 19.131 1.00 0.00 O ATOM 0 H SER A 2 2.699 -19.769 16.970 1.00 0.00 H new ATOM 0 HA SER A 2 0.107 -18.470 16.890 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.426 -18.113 18.835 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.757 -17.644 19.097 1.00 0.00 H new ATOM 0 HG SER A 2 1.267 -19.673 20.099 1.00 0.00 H new ATOM 19 N SER A 3 2.918 -16.797 16.433 1.00 0.00 N ATOM 20 CA SER A 3 3.469 -15.547 15.923 1.00 0.00 C ATOM 21 C SER A 3 3.345 -15.479 14.404 1.00 0.00 C ATOM 22 O SER A 3 2.774 -14.536 13.858 1.00 0.00 O ATOM 23 CB SER A 3 4.937 -15.407 16.333 1.00 0.00 C ATOM 24 OG SER A 3 5.317 -14.044 16.410 1.00 0.00 O ATOM 0 H SER A 3 3.618 -17.493 16.689 1.00 0.00 H new ATOM 0 HA SER A 3 2.899 -14.724 16.354 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.096 -15.887 17.299 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.570 -15.924 15.612 1.00 0.00 H new ATOM 0 HG SER A 3 6.258 -13.981 16.675 1.00 0.00 H new ATOM 30 N GLY A 4 3.886 -16.487 13.726 1.00 0.00 N ATOM 31 CA GLY A 4 3.826 -16.523 12.277 1.00 0.00 C ATOM 32 C GLY A 4 5.172 -16.258 11.634 1.00 0.00 C ATOM 33 O GLY A 4 6.138 -15.918 12.318 1.00 0.00 O ATOM 0 H GLY A 4 4.365 -17.279 14.155 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.459 -17.498 11.956 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.108 -15.781 11.928 1.00 0.00 H new ATOM 37 N SER A 5 5.239 -16.416 10.316 1.00 0.00 N ATOM 38 CA SER A 5 6.479 -16.197 9.581 1.00 0.00 C ATOM 39 C SER A 5 7.003 -14.782 9.809 1.00 0.00 C ATOM 40 O SER A 5 8.153 -14.590 10.203 1.00 0.00 O ATOM 41 CB SER A 5 6.260 -16.438 8.086 1.00 0.00 C ATOM 42 OG SER A 5 7.495 -16.499 7.394 1.00 0.00 O ATOM 0 H SER A 5 4.448 -16.695 9.735 1.00 0.00 H new ATOM 0 HA SER A 5 7.221 -16.904 9.950 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.712 -17.369 7.941 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.646 -15.638 7.671 1.00 0.00 H new ATOM 0 HG SER A 5 7.329 -16.655 6.441 1.00 0.00 H new ATOM 48 N SER A 6 6.149 -13.795 9.558 1.00 0.00 N ATOM 49 CA SER A 6 6.526 -12.397 9.732 1.00 0.00 C ATOM 50 C SER A 6 5.548 -11.682 10.660 1.00 0.00 C ATOM 51 O SER A 6 4.562 -12.265 11.108 1.00 0.00 O ATOM 52 CB SER A 6 6.572 -11.687 8.378 1.00 0.00 C ATOM 53 OG SER A 6 7.413 -12.377 7.469 1.00 0.00 O ATOM 0 H SER A 6 5.192 -13.937 9.234 1.00 0.00 H new ATOM 0 HA SER A 6 7.517 -12.367 10.184 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.565 -11.617 7.966 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.933 -10.667 8.511 1.00 0.00 H new ATOM 0 HG SER A 6 7.424 -11.904 6.611 1.00 0.00 H new ATOM 59 N GLY A 7 5.831 -10.414 10.945 1.00 0.00 N ATOM 60 CA GLY A 7 4.968 -9.640 11.818 1.00 0.00 C ATOM 61 C GLY A 7 4.434 -8.391 11.145 1.00 0.00 C ATOM 62 O GLY A 7 4.617 -7.281 11.646 1.00 0.00 O ATOM 0 H GLY A 7 6.642 -9.910 10.587 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.132 -10.261 12.141 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.521 -9.358 12.714 1.00 0.00 H new ATOM 66 N PHE A 8 3.773 -8.570 10.007 1.00 0.00 N ATOM 67 CA PHE A 8 3.213 -7.448 9.263 1.00 0.00 C ATOM 68 C PHE A 8 1.695 -7.566 9.160 1.00 0.00 C ATOM 69 O PHE A 8 1.172 -8.569 8.672 1.00 0.00 O ATOM 70 CB PHE A 8 3.826 -7.379 7.863 1.00 0.00 C ATOM 71 CG PHE A 8 5.219 -6.818 7.845 1.00 0.00 C ATOM 72 CD1 PHE A 8 5.474 -5.544 8.328 1.00 0.00 C ATOM 73 CD2 PHE A 8 6.275 -7.564 7.346 1.00 0.00 C ATOM 74 CE1 PHE A 8 6.755 -5.025 8.314 1.00 0.00 C ATOM 75 CE2 PHE A 8 7.558 -7.050 7.330 1.00 0.00 C ATOM 76 CZ PHE A 8 7.798 -5.779 7.813 1.00 0.00 C ATOM 0 H PHE A 8 3.612 -9.482 9.579 1.00 0.00 H new ATOM 0 HA PHE A 8 3.453 -6.532 9.803 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.841 -8.380 7.432 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.188 -6.767 7.226 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.662 -4.950 8.720 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.093 -8.558 6.965 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.940 -4.031 8.694 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.372 -7.642 6.940 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.800 -5.375 7.799 1.00 0.00 H new ATOM 86 N CYS A 9 0.995 -6.538 9.625 1.00 0.00 N ATOM 87 CA CYS A 9 -0.463 -6.526 9.587 1.00 0.00 C ATOM 88 C CYS A 9 -0.976 -7.007 8.233 1.00 0.00 C ATOM 89 O CYS A 9 -1.846 -7.875 8.160 1.00 0.00 O ATOM 90 CB CYS A 9 -0.991 -5.120 9.875 1.00 0.00 C ATOM 91 SG CYS A 9 -2.650 -5.087 10.594 1.00 0.00 S ATOM 0 H CYS A 9 1.413 -5.702 10.033 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.827 -7.207 10.356 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.302 -4.617 10.554 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.998 -4.549 8.947 1.00 0.00 H new ATOM 0 HG CYS A 9 -2.924 -3.882 10.998 1.00 0.00 H new ATOM 97 N GLY A 10 -0.432 -6.436 7.163 1.00 0.00 N ATOM 98 CA GLY A 10 -0.848 -6.818 5.826 1.00 0.00 C ATOM 99 C GLY A 10 -0.027 -6.139 4.748 1.00 0.00 C ATOM 100 O GLY A 10 1.003 -5.529 5.034 1.00 0.00 O ATOM 0 H GLY A 10 0.289 -5.716 7.198 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.762 -7.899 5.717 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.900 -6.566 5.690 1.00 0.00 H new ATOM 104 N ARG A 11 -0.483 -6.246 3.504 1.00 0.00 N ATOM 105 CA ARG A 11 0.219 -5.641 2.378 1.00 0.00 C ATOM 106 C ARG A 11 -0.766 -5.197 1.300 1.00 0.00 C ATOM 107 O ARG A 11 -1.689 -5.930 0.949 1.00 0.00 O ATOM 108 CB ARG A 11 1.228 -6.627 1.788 1.00 0.00 C ATOM 109 CG ARG A 11 0.645 -8.004 1.514 1.00 0.00 C ATOM 110 CD ARG A 11 1.517 -8.797 0.554 1.00 0.00 C ATOM 111 NE ARG A 11 1.331 -8.375 -0.832 1.00 0.00 N ATOM 112 CZ ARG A 11 1.665 -9.122 -1.879 1.00 0.00 C ATOM 113 NH1 ARG A 11 2.199 -10.321 -1.698 1.00 0.00 N ATOM 114 NH2 ARG A 11 1.464 -8.668 -3.109 1.00 0.00 N ATOM 0 H ARG A 11 -1.335 -6.746 3.250 1.00 0.00 H new ATOM 0 HA ARG A 11 0.752 -4.763 2.743 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.623 -6.217 0.858 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.069 -6.728 2.474 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.544 -8.551 2.452 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.356 -7.900 1.096 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.564 -8.677 0.832 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.283 -9.858 0.644 1.00 0.00 H new ATOM 0 HE ARG A 11 0.922 -7.457 -1.006 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.355 -10.673 -0.753 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.454 -10.892 -2.503 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.053 -7.745 -3.251 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.720 -9.242 -3.913 1.00 0.00 H new ATOM 128 N ALA A 12 -0.560 -3.991 0.779 1.00 0.00 N ATOM 129 CA ALA A 12 -1.428 -3.450 -0.260 1.00 0.00 C ATOM 130 C ALA A 12 -0.662 -3.244 -1.562 1.00 0.00 C ATOM 131 O ALA A 12 0.548 -3.018 -1.553 1.00 0.00 O ATOM 132 CB ALA A 12 -2.051 -2.141 0.202 1.00 0.00 C ATOM 0 H ALA A 12 0.200 -3.371 1.059 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.223 -4.171 -0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.697 -1.748 -0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.640 -2.316 1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.263 -1.420 0.419 1.00 0.00 H new ATOM 138 N ARG A 13 -1.375 -3.323 -2.681 1.00 0.00 N ATOM 139 CA ARG A 13 -0.761 -3.146 -3.992 1.00 0.00 C ATOM 140 C ARG A 13 -1.000 -1.734 -4.518 1.00 0.00 C ATOM 141 O ARG A 13 -2.103 -1.199 -4.412 1.00 0.00 O ATOM 142 CB ARG A 13 -1.318 -4.172 -4.981 1.00 0.00 C ATOM 143 CG ARG A 13 -0.334 -4.562 -6.072 1.00 0.00 C ATOM 144 CD ARG A 13 -0.940 -5.573 -7.033 1.00 0.00 C ATOM 145 NE ARG A 13 -2.046 -5.006 -7.799 1.00 0.00 N ATOM 146 CZ ARG A 13 -2.452 -5.486 -8.970 1.00 0.00 C ATOM 147 NH1 ARG A 13 -1.846 -6.537 -9.505 1.00 0.00 N ATOM 148 NH2 ARG A 13 -3.466 -4.915 -9.607 1.00 0.00 N ATOM 0 H ARG A 13 -2.378 -3.508 -2.706 1.00 0.00 H new ATOM 0 HA ARG A 13 0.313 -3.298 -3.887 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.615 -5.067 -4.434 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.218 -3.767 -5.443 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.028 -3.672 -6.623 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.565 -4.981 -5.620 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.170 -5.929 -7.718 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.293 -6.439 -6.473 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.534 -4.197 -7.414 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.066 -6.979 -9.018 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.159 -6.904 -10.404 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.935 -4.107 -9.198 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.777 -5.284 -10.506 1.00 0.00 H new ATOM 162 N VAL A 14 0.043 -1.136 -5.085 1.00 0.00 N ATOM 163 CA VAL A 14 -0.053 0.214 -5.628 1.00 0.00 C ATOM 164 C VAL A 14 -0.533 0.191 -7.075 1.00 0.00 C ATOM 165 O VAL A 14 0.046 -0.489 -7.922 1.00 0.00 O ATOM 166 CB VAL A 14 1.302 0.944 -5.560 1.00 0.00 C ATOM 167 CG1 VAL A 14 1.210 2.306 -6.231 1.00 0.00 C ATOM 168 CG2 VAL A 14 1.760 1.082 -4.116 1.00 0.00 C ATOM 0 H VAL A 14 0.964 -1.565 -5.180 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.778 0.751 -5.016 1.00 0.00 H new ATOM 0 HB VAL A 14 2.042 0.351 -6.097 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.177 2.806 -6.173 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.930 2.178 -7.277 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.457 2.911 -5.725 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.719 1.600 -4.086 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.022 1.653 -3.553 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.868 0.092 -3.673 1.00 0.00 H new ATOM 178 N HIS A 15 -1.595 0.941 -7.352 1.00 0.00 N ATOM 179 CA HIS A 15 -2.154 1.008 -8.698 1.00 0.00 C ATOM 180 C HIS A 15 -1.962 2.398 -9.297 1.00 0.00 C ATOM 181 O HIS A 15 -1.880 2.555 -10.515 1.00 0.00 O ATOM 182 CB HIS A 15 -3.640 0.650 -8.674 1.00 0.00 C ATOM 183 CG HIS A 15 -4.417 1.385 -7.625 1.00 0.00 C ATOM 184 ND1 HIS A 15 -4.964 2.634 -7.830 1.00 0.00 N ATOM 185 CD2 HIS A 15 -4.738 1.038 -6.357 1.00 0.00 C ATOM 186 CE1 HIS A 15 -5.586 3.025 -6.733 1.00 0.00 C ATOM 187 NE2 HIS A 15 -5.465 2.074 -5.823 1.00 0.00 N ATOM 0 H HIS A 15 -2.086 1.511 -6.663 1.00 0.00 H new ATOM 0 HA HIS A 15 -1.625 0.287 -9.321 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.073 0.864 -9.651 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.744 -0.422 -8.507 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.472 0.118 -5.858 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.105 3.963 -6.602 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -5.849 2.104 -4.878 1.00 0.00 H new ATOM 195 N THR A 16 -1.893 3.405 -8.432 1.00 0.00 N ATOM 196 CA THR A 16 -1.714 4.782 -8.875 1.00 0.00 C ATOM 197 C THR A 16 -0.454 5.394 -8.272 1.00 0.00 C ATOM 198 O THR A 16 -0.435 5.769 -7.100 1.00 0.00 O ATOM 199 CB THR A 16 -2.925 5.655 -8.500 1.00 0.00 C ATOM 200 OG1 THR A 16 -4.112 5.137 -9.112 1.00 0.00 O ATOM 201 CG2 THR A 16 -2.711 7.096 -8.939 1.00 0.00 C ATOM 0 H THR A 16 -1.958 3.293 -7.420 1.00 0.00 H new ATOM 0 HA THR A 16 -1.618 4.755 -9.960 1.00 0.00 H new ATOM 0 HB THR A 16 -3.037 5.634 -7.416 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.372 4.303 -8.667 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.580 7.693 -8.663 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.824 7.498 -8.449 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.575 7.131 -10.020 1.00 0.00 H new ATOM 209 N ASP A 17 0.595 5.492 -9.081 1.00 0.00 N ATOM 210 CA ASP A 17 1.859 6.060 -8.627 1.00 0.00 C ATOM 211 C ASP A 17 1.650 7.455 -8.044 1.00 0.00 C ATOM 212 O ASP A 17 1.209 8.370 -8.740 1.00 0.00 O ATOM 213 CB ASP A 17 2.859 6.122 -9.782 1.00 0.00 C ATOM 214 CG ASP A 17 2.209 6.529 -11.090 1.00 0.00 C ATOM 215 OD1 ASP A 17 1.157 7.199 -11.045 1.00 0.00 O ATOM 216 OD2 ASP A 17 2.752 6.175 -12.158 1.00 0.00 O ATOM 0 H ASP A 17 0.595 5.186 -10.054 1.00 0.00 H new ATOM 0 HA ASP A 17 2.259 5.415 -7.845 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.650 6.831 -9.536 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.331 5.147 -9.902 1.00 0.00 H new ATOM 221 N PHE A 18 1.967 7.609 -6.763 1.00 0.00 N ATOM 222 CA PHE A 18 1.812 8.891 -6.086 1.00 0.00 C ATOM 223 C PHE A 18 3.160 9.417 -5.601 1.00 0.00 C ATOM 224 O PHE A 18 3.889 8.727 -4.888 1.00 0.00 O ATOM 225 CB PHE A 18 0.850 8.754 -4.904 1.00 0.00 C ATOM 226 CG PHE A 18 0.957 9.876 -3.911 1.00 0.00 C ATOM 227 CD1 PHE A 18 1.965 9.884 -2.960 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.050 10.924 -3.930 1.00 0.00 C ATOM 229 CE1 PHE A 18 2.064 10.915 -2.045 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.146 11.958 -3.017 1.00 0.00 C ATOM 231 CZ PHE A 18 1.155 11.954 -2.074 1.00 0.00 C ATOM 0 H PHE A 18 2.333 6.862 -6.173 1.00 0.00 H new ATOM 0 HA PHE A 18 1.400 9.604 -6.801 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.172 8.709 -5.281 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.044 7.810 -4.395 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.681 9.076 -2.934 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.740 10.933 -4.666 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.853 10.908 -1.307 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.568 12.768 -3.041 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.233 12.761 -1.361 1.00 0.00 H new ATOM 241 N THR A 19 3.486 10.644 -5.994 1.00 0.00 N ATOM 242 CA THR A 19 4.746 11.263 -5.602 1.00 0.00 C ATOM 243 C THR A 19 4.507 12.558 -4.833 1.00 0.00 C ATOM 244 O THR A 19 4.097 13.574 -5.394 1.00 0.00 O ATOM 245 CB THR A 19 5.629 11.563 -6.828 1.00 0.00 C ATOM 246 OG1 THR A 19 4.877 12.285 -7.809 1.00 0.00 O ATOM 247 CG2 THR A 19 6.164 10.276 -7.437 1.00 0.00 C ATOM 0 H THR A 19 2.894 11.229 -6.584 1.00 0.00 H new ATOM 0 HA THR A 19 5.261 10.551 -4.957 1.00 0.00 H new ATOM 0 HB THR A 19 6.473 12.170 -6.500 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.429 13.045 -7.383 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.785 10.513 -8.301 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.761 9.744 -6.696 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.330 9.648 -7.750 1.00 0.00 H new ATOM 255 N PRO A 20 4.769 12.523 -3.518 1.00 0.00 N ATOM 256 CA PRO A 20 4.590 13.686 -2.644 1.00 0.00 C ATOM 257 C PRO A 20 5.616 14.780 -2.919 1.00 0.00 C ATOM 258 O PRO A 20 6.471 14.637 -3.793 1.00 0.00 O ATOM 259 CB PRO A 20 4.788 13.108 -1.240 1.00 0.00 C ATOM 260 CG PRO A 20 5.644 11.906 -1.442 1.00 0.00 C ATOM 261 CD PRO A 20 5.260 11.345 -2.784 1.00 0.00 C ATOM 0 HA PRO A 20 3.620 14.162 -2.791 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.268 13.829 -0.579 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.835 12.843 -0.783 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.701 12.171 -1.418 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.481 11.173 -0.652 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.111 10.885 -3.286 1.00 0.00 H new ATOM 0 HD3 PRO A 20 4.491 10.578 -2.694 1.00 0.00 H new ATOM 269 N SER A 21 5.525 15.873 -2.167 1.00 0.00 N ATOM 270 CA SER A 21 6.444 16.993 -2.333 1.00 0.00 C ATOM 271 C SER A 21 7.893 16.522 -2.260 1.00 0.00 C ATOM 272 O SER A 21 8.210 15.496 -1.658 1.00 0.00 O ATOM 273 CB SER A 21 6.186 18.054 -1.261 1.00 0.00 C ATOM 274 OG SER A 21 5.179 18.962 -1.674 1.00 0.00 O ATOM 0 H SER A 21 4.825 16.006 -1.438 1.00 0.00 H new ATOM 0 HA SER A 21 6.272 17.430 -3.316 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.885 17.571 -0.331 1.00 0.00 H new ATOM 0 HB3 SER A 21 7.108 18.598 -1.054 1.00 0.00 H new ATOM 0 HG SER A 21 5.467 19.879 -1.484 1.00 0.00 H new ATOM 280 N PRO A 22 8.796 17.290 -2.889 1.00 0.00 N ATOM 281 CA PRO A 22 10.227 16.973 -2.911 1.00 0.00 C ATOM 282 C PRO A 22 10.881 17.152 -1.545 1.00 0.00 C ATOM 283 O PRO A 22 11.868 16.489 -1.227 1.00 0.00 O ATOM 284 CB PRO A 22 10.798 17.979 -3.913 1.00 0.00 C ATOM 285 CG PRO A 22 9.844 19.124 -3.886 1.00 0.00 C ATOM 286 CD PRO A 22 8.489 18.527 -3.626 1.00 0.00 C ATOM 0 HA PRO A 22 10.410 15.933 -3.180 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.802 18.294 -3.629 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.869 17.547 -4.911 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.112 19.837 -3.107 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.857 19.665 -4.832 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.860 19.198 -3.041 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.956 18.320 -4.554 1.00 0.00 H new ATOM 294 N TYR A 23 10.324 18.051 -0.741 1.00 0.00 N ATOM 295 CA TYR A 23 10.855 18.318 0.591 1.00 0.00 C ATOM 296 C TYR A 23 10.198 17.415 1.630 1.00 0.00 C ATOM 297 O TYR A 23 10.706 17.256 2.741 1.00 0.00 O ATOM 298 CB TYR A 23 10.639 19.785 0.964 1.00 0.00 C ATOM 299 CG TYR A 23 9.375 20.378 0.384 1.00 0.00 C ATOM 300 CD1 TYR A 23 9.369 20.945 -0.885 1.00 0.00 C ATOM 301 CD2 TYR A 23 8.186 20.371 1.103 1.00 0.00 C ATOM 302 CE1 TYR A 23 8.217 21.489 -1.419 1.00 0.00 C ATOM 303 CE2 TYR A 23 7.029 20.910 0.576 1.00 0.00 C ATOM 304 CZ TYR A 23 7.049 21.468 -0.685 1.00 0.00 C ATOM 305 OH TYR A 23 5.899 22.008 -1.213 1.00 0.00 O ATOM 0 H TYR A 23 9.505 18.607 -0.988 1.00 0.00 H new ATOM 0 HA TYR A 23 11.924 18.107 0.577 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.607 19.874 2.050 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.494 20.368 0.622 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.281 20.961 -1.464 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.166 19.936 2.091 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.231 21.928 -2.406 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.113 20.895 1.148 1.00 0.00 H new ATOM 0 HH TYR A 23 5.167 21.911 -0.569 1.00 0.00 H new ATOM 315 N ASP A 24 9.067 16.825 1.261 1.00 0.00 N ATOM 316 CA ASP A 24 8.340 15.936 2.160 1.00 0.00 C ATOM 317 C ASP A 24 8.934 14.531 2.132 1.00 0.00 C ATOM 318 O ASP A 24 8.784 13.800 1.153 1.00 0.00 O ATOM 319 CB ASP A 24 6.861 15.884 1.774 1.00 0.00 C ATOM 320 CG ASP A 24 6.100 17.113 2.234 1.00 0.00 C ATOM 321 OD1 ASP A 24 6.748 18.145 2.508 1.00 0.00 O ATOM 322 OD2 ASP A 24 4.856 17.043 2.319 1.00 0.00 O ATOM 0 H ASP A 24 8.633 16.946 0.346 1.00 0.00 H new ATOM 0 HA ASP A 24 8.430 16.330 3.172 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.774 15.790 0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.406 14.994 2.209 1.00 0.00 H new ATOM 327 N THR A 25 9.611 14.159 3.215 1.00 0.00 N ATOM 328 CA THR A 25 10.230 12.843 3.314 1.00 0.00 C ATOM 329 C THR A 25 9.258 11.820 3.891 1.00 0.00 C ATOM 330 O THR A 25 9.115 10.718 3.361 1.00 0.00 O ATOM 331 CB THR A 25 11.496 12.883 4.191 1.00 0.00 C ATOM 332 OG1 THR A 25 11.163 13.322 5.512 1.00 0.00 O ATOM 333 CG2 THR A 25 12.541 13.811 3.591 1.00 0.00 C ATOM 0 H THR A 25 9.744 14.751 4.035 1.00 0.00 H new ATOM 0 HA THR A 25 10.507 12.547 2.302 1.00 0.00 H new ATOM 0 HB THR A 25 11.911 11.876 4.237 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.973 13.343 6.064 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.426 13.823 4.228 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.814 13.457 2.597 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.133 14.819 3.518 1.00 0.00 H new ATOM 341 N ASP A 26 8.590 12.192 4.977 1.00 0.00 N ATOM 342 CA ASP A 26 7.629 11.307 5.625 1.00 0.00 C ATOM 343 C ASP A 26 6.831 10.521 4.589 1.00 0.00 C ATOM 344 O ASP A 26 6.796 9.291 4.621 1.00 0.00 O ATOM 345 CB ASP A 26 6.681 12.113 6.515 1.00 0.00 C ATOM 346 CG ASP A 26 7.387 12.724 7.709 1.00 0.00 C ATOM 347 OD1 ASP A 26 8.195 13.654 7.507 1.00 0.00 O ATOM 348 OD2 ASP A 26 7.132 12.272 8.845 1.00 0.00 O ATOM 0 H ASP A 26 8.696 13.101 5.428 1.00 0.00 H new ATOM 0 HA ASP A 26 8.182 10.600 6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.219 12.905 5.925 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.877 11.465 6.864 1.00 0.00 H new ATOM 353 N SER A 27 6.190 11.240 3.673 1.00 0.00 N ATOM 354 CA SER A 27 5.388 10.610 2.631 1.00 0.00 C ATOM 355 C SER A 27 6.250 9.713 1.750 1.00 0.00 C ATOM 356 O SER A 27 7.175 10.180 1.083 1.00 0.00 O ATOM 357 CB SER A 27 4.699 11.675 1.775 1.00 0.00 C ATOM 358 OG SER A 27 5.645 12.563 1.206 1.00 0.00 O ATOM 0 H SER A 27 6.211 12.259 3.631 1.00 0.00 H new ATOM 0 HA SER A 27 4.629 9.994 3.113 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.125 11.194 0.983 1.00 0.00 H new ATOM 0 HB3 SER A 27 3.991 12.235 2.386 1.00 0.00 H new ATOM 0 HG SER A 27 6.494 12.093 1.068 1.00 0.00 H new ATOM 364 N LEU A 28 5.942 8.421 1.751 1.00 0.00 N ATOM 365 CA LEU A 28 6.688 7.455 0.951 1.00 0.00 C ATOM 366 C LEU A 28 6.304 7.556 -0.521 1.00 0.00 C ATOM 367 O LEU A 28 5.161 7.866 -0.857 1.00 0.00 O ATOM 368 CB LEU A 28 6.432 6.035 1.461 1.00 0.00 C ATOM 369 CG LEU A 28 6.672 5.804 2.953 1.00 0.00 C ATOM 370 CD1 LEU A 28 6.150 4.439 3.373 1.00 0.00 C ATOM 371 CD2 LEU A 28 8.152 5.935 3.281 1.00 0.00 C ATOM 0 H LEU A 28 5.181 8.018 2.297 1.00 0.00 H new ATOM 0 HA LEU A 28 7.750 7.683 1.047 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.399 5.770 1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.068 5.349 0.901 1.00 0.00 H new ATOM 0 HG LEU A 28 6.127 6.565 3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.330 4.293 4.438 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.080 4.382 3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.666 3.663 2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.305 5.768 4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.717 5.196 2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.496 6.935 3.018 1.00 0.00 H new ATOM 383 N LYS A 29 7.267 7.289 -1.398 1.00 0.00 N ATOM 384 CA LYS A 29 7.031 7.346 -2.835 1.00 0.00 C ATOM 385 C LYS A 29 6.453 6.029 -3.344 1.00 0.00 C ATOM 386 O LYS A 29 7.143 5.010 -3.381 1.00 0.00 O ATOM 387 CB LYS A 29 8.333 7.663 -3.574 1.00 0.00 C ATOM 388 CG LYS A 29 8.122 8.369 -4.903 1.00 0.00 C ATOM 389 CD LYS A 29 9.441 8.805 -5.518 1.00 0.00 C ATOM 390 CE LYS A 29 9.370 8.817 -7.038 1.00 0.00 C ATOM 391 NZ LYS A 29 10.709 8.613 -7.657 1.00 0.00 N ATOM 0 H LYS A 29 8.219 7.031 -1.137 1.00 0.00 H new ATOM 0 HA LYS A 29 6.308 8.139 -3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.960 8.286 -2.937 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.878 6.735 -3.748 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.601 7.703 -5.591 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.483 9.239 -4.756 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.701 9.800 -5.157 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.235 8.131 -5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.691 8.035 -7.376 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.955 9.767 -7.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.618 8.628 -8.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.351 9.374 -7.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.094 7.695 -7.356 1.00 0.00 H new ATOM 405 N LEU A 30 5.185 6.058 -3.737 1.00 0.00 N ATOM 406 CA LEU A 30 4.514 4.867 -4.246 1.00 0.00 C ATOM 407 C LEU A 30 4.695 4.743 -5.756 1.00 0.00 C ATOM 408 O LEU A 30 4.881 5.740 -6.454 1.00 0.00 O ATOM 409 CB LEU A 30 3.024 4.910 -3.901 1.00 0.00 C ATOM 410 CG LEU A 30 2.676 5.366 -2.484 1.00 0.00 C ATOM 411 CD1 LEU A 30 1.175 5.563 -2.340 1.00 0.00 C ATOM 412 CD2 LEU A 30 3.185 4.362 -1.460 1.00 0.00 C ATOM 0 H LEU A 30 4.600 6.893 -3.713 1.00 0.00 H new ATOM 0 HA LEU A 30 4.965 3.995 -3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.527 5.575 -4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.607 3.914 -4.053 1.00 0.00 H new ATOM 0 HG LEU A 30 3.166 6.322 -2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.946 5.888 -1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.838 6.320 -3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.663 4.622 -2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.928 4.703 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.724 3.391 -1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.268 4.272 -1.546 1.00 0.00 H new ATOM 424 N LYS A 31 4.637 3.513 -6.254 1.00 0.00 N ATOM 425 CA LYS A 31 4.791 3.257 -7.681 1.00 0.00 C ATOM 426 C LYS A 31 3.877 2.122 -8.132 1.00 0.00 C ATOM 427 O LYS A 31 3.643 1.167 -7.391 1.00 0.00 O ATOM 428 CB LYS A 31 6.246 2.913 -8.005 1.00 0.00 C ATOM 429 CG LYS A 31 6.554 2.909 -9.492 1.00 0.00 C ATOM 430 CD LYS A 31 7.974 3.374 -9.770 1.00 0.00 C ATOM 431 CE LYS A 31 8.986 2.274 -9.488 1.00 0.00 C ATOM 432 NZ LYS A 31 10.351 2.644 -9.954 1.00 0.00 N ATOM 0 H LYS A 31 4.484 2.677 -5.690 1.00 0.00 H new ATOM 0 HA LYS A 31 4.510 4.162 -8.219 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.899 3.631 -7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.479 1.932 -7.592 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.415 1.904 -9.890 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.849 3.558 -10.012 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.058 3.689 -10.810 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.200 4.244 -9.154 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.011 2.069 -8.418 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.670 1.355 -9.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.012 1.869 -9.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.333 2.815 -10.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.663 3.507 -9.464 1.00 0.00 H new ATOM 446 N LYS A 32 3.363 2.231 -9.353 1.00 0.00 N ATOM 447 CA LYS A 32 2.477 1.213 -9.905 1.00 0.00 C ATOM 448 C LYS A 32 3.147 -0.157 -9.891 1.00 0.00 C ATOM 449 O LYS A 32 4.104 -0.398 -10.625 1.00 0.00 O ATOM 450 CB LYS A 32 2.072 1.581 -11.334 1.00 0.00 C ATOM 451 CG LYS A 32 0.811 2.423 -11.412 1.00 0.00 C ATOM 452 CD LYS A 32 0.826 3.340 -12.623 1.00 0.00 C ATOM 453 CE LYS A 32 0.527 2.576 -13.904 1.00 0.00 C ATOM 454 NZ LYS A 32 1.746 1.921 -14.456 1.00 0.00 N ATOM 0 H LYS A 32 3.545 3.015 -9.979 1.00 0.00 H new ATOM 0 HA LYS A 32 1.584 1.167 -9.282 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.891 2.124 -11.806 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.924 0.666 -11.907 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.061 1.770 -11.460 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.714 3.019 -10.505 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.089 4.132 -12.490 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.801 3.821 -12.704 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.234 1.821 -13.707 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.114 3.259 -14.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.662 1.846 -15.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.584 2.489 -14.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.845 0.970 -14.047 1.00 0.00 H new ATOM 468 N GLY A 33 2.636 -1.052 -9.051 1.00 0.00 N ATOM 469 CA GLY A 33 3.197 -2.387 -8.959 1.00 0.00 C ATOM 470 C GLY A 33 4.229 -2.508 -7.855 1.00 0.00 C ATOM 471 O GLY A 33 5.329 -3.015 -8.076 1.00 0.00 O ATOM 0 H GLY A 33 1.844 -0.876 -8.433 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.395 -3.103 -8.782 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.656 -2.651 -9.912 1.00 0.00 H new ATOM 475 N ASP A 34 3.876 -2.039 -6.663 1.00 0.00 N ATOM 476 CA ASP A 34 4.780 -2.096 -5.520 1.00 0.00 C ATOM 477 C ASP A 34 4.058 -2.619 -4.282 1.00 0.00 C ATOM 478 O ASP A 34 2.865 -2.375 -4.098 1.00 0.00 O ATOM 479 CB ASP A 34 5.367 -0.712 -5.238 1.00 0.00 C ATOM 480 CG ASP A 34 6.755 -0.784 -4.632 1.00 0.00 C ATOM 481 OD1 ASP A 34 7.324 -1.894 -4.584 1.00 0.00 O ATOM 482 OD2 ASP A 34 7.272 0.270 -4.205 1.00 0.00 O ATOM 0 H ASP A 34 2.970 -1.615 -6.463 1.00 0.00 H new ATOM 0 HA ASP A 34 5.591 -2.783 -5.762 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.408 -0.142 -6.166 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.706 -0.171 -4.561 1.00 0.00 H new ATOM 487 N ILE A 35 4.789 -3.338 -3.437 1.00 0.00 N ATOM 488 CA ILE A 35 4.219 -3.895 -2.217 1.00 0.00 C ATOM 489 C ILE A 35 4.657 -3.099 -0.992 1.00 0.00 C ATOM 490 O ILE A 35 5.833 -2.766 -0.844 1.00 0.00 O ATOM 491 CB ILE A 35 4.622 -5.369 -2.029 1.00 0.00 C ATOM 492 CG1 ILE A 35 4.351 -6.162 -3.308 1.00 0.00 C ATOM 493 CG2 ILE A 35 3.873 -5.977 -0.853 1.00 0.00 C ATOM 494 CD1 ILE A 35 2.890 -6.198 -3.699 1.00 0.00 C ATOM 0 H ILE A 35 5.777 -3.548 -3.575 1.00 0.00 H new ATOM 0 HA ILE A 35 3.135 -3.834 -2.319 1.00 0.00 H new ATOM 0 HB ILE A 35 5.690 -5.414 -1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.927 -5.726 -4.125 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.708 -7.183 -3.175 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.169 -7.019 -0.733 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.113 -5.425 0.056 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.800 -5.923 -1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.773 -6.777 -4.615 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.311 -6.661 -2.900 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.532 -5.182 -3.864 1.00 0.00 H new ATOM 506 N ILE A 36 3.703 -2.798 -0.117 1.00 0.00 N ATOM 507 CA ILE A 36 3.991 -2.044 1.097 1.00 0.00 C ATOM 508 C ILE A 36 3.602 -2.835 2.341 1.00 0.00 C ATOM 509 O ILE A 36 2.422 -3.089 2.583 1.00 0.00 O ATOM 510 CB ILE A 36 3.252 -0.693 1.108 1.00 0.00 C ATOM 511 CG1 ILE A 36 3.725 0.182 -0.055 1.00 0.00 C ATOM 512 CG2 ILE A 36 3.471 0.019 2.435 1.00 0.00 C ATOM 513 CD1 ILE A 36 2.848 1.391 -0.296 1.00 0.00 C ATOM 0 H ILE A 36 2.725 -3.065 -0.226 1.00 0.00 H new ATOM 0 HA ILE A 36 5.065 -1.861 1.108 1.00 0.00 H new ATOM 0 HB ILE A 36 2.185 -0.879 0.988 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.744 0.516 0.143 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.757 -0.420 -0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.943 0.972 2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.091 -0.600 3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.537 0.196 2.582 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.242 1.965 -1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.834 1.065 -0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.835 2.015 0.597 1.00 0.00 H new ATOM 525 N ASP A 37 4.601 -3.220 3.127 1.00 0.00 N ATOM 526 CA ASP A 37 4.363 -3.979 4.349 1.00 0.00 C ATOM 527 C ASP A 37 3.750 -3.094 5.429 1.00 0.00 C ATOM 528 O ASP A 37 4.442 -2.288 6.052 1.00 0.00 O ATOM 529 CB ASP A 37 5.669 -4.593 4.856 1.00 0.00 C ATOM 530 CG ASP A 37 5.921 -5.974 4.282 1.00 0.00 C ATOM 531 OD1 ASP A 37 4.978 -6.792 4.272 1.00 0.00 O ATOM 532 OD2 ASP A 37 7.061 -6.236 3.845 1.00 0.00 O ATOM 0 H ASP A 37 5.583 -3.019 2.940 1.00 0.00 H new ATOM 0 HA ASP A 37 3.660 -4.779 4.118 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.500 -3.938 4.596 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.640 -4.655 5.944 1.00 0.00 H new ATOM 537 N ILE A 38 2.448 -3.248 5.645 1.00 0.00 N ATOM 538 CA ILE A 38 1.742 -2.462 6.649 1.00 0.00 C ATOM 539 C ILE A 38 2.170 -2.858 8.058 1.00 0.00 C ATOM 540 O ILE A 38 2.069 -4.023 8.444 1.00 0.00 O ATOM 541 CB ILE A 38 0.216 -2.627 6.523 1.00 0.00 C ATOM 542 CG1 ILE A 38 -0.242 -2.271 5.108 1.00 0.00 C ATOM 543 CG2 ILE A 38 -0.497 -1.760 7.551 1.00 0.00 C ATOM 544 CD1 ILE A 38 -1.667 -2.684 4.812 1.00 0.00 C ATOM 0 H ILE A 38 1.861 -3.910 5.138 1.00 0.00 H new ATOM 0 HA ILE A 38 2.002 -1.418 6.472 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.039 -3.669 6.716 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.147 -1.195 4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.423 -2.749 4.389 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.575 -1.887 7.450 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.189 -2.057 8.554 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.238 -0.714 7.387 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.924 -2.400 3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.763 -3.764 4.923 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.342 -2.186 5.508 1.00 0.00 H new ATOM 556 N ILE A 39 2.647 -1.881 8.822 1.00 0.00 N ATOM 557 CA ILE A 39 3.088 -2.128 10.190 1.00 0.00 C ATOM 558 C ILE A 39 1.996 -1.771 11.192 1.00 0.00 C ATOM 559 O ILE A 39 1.660 -2.567 12.069 1.00 0.00 O ATOM 560 CB ILE A 39 4.359 -1.325 10.525 1.00 0.00 C ATOM 561 CG1 ILE A 39 5.510 -1.746 9.610 1.00 0.00 C ATOM 562 CG2 ILE A 39 4.737 -1.518 11.986 1.00 0.00 C ATOM 563 CD1 ILE A 39 6.616 -0.717 9.518 1.00 0.00 C ATOM 0 H ILE A 39 2.738 -0.912 8.518 1.00 0.00 H new ATOM 0 HA ILE A 39 3.311 -3.193 10.263 1.00 0.00 H new ATOM 0 HB ILE A 39 4.157 -0.267 10.359 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.928 -2.685 9.973 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.118 -1.937 8.611 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.637 -0.945 12.208 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.921 -1.173 12.621 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.924 -2.575 12.177 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.398 -1.082 8.853 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.213 0.217 9.126 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.035 -0.543 10.509 1.00 0.00 H new ATOM 575 N SER A 40 1.443 -0.570 11.055 1.00 0.00 N ATOM 576 CA SER A 40 0.389 -0.106 11.950 1.00 0.00 C ATOM 577 C SER A 40 -0.719 0.592 11.168 1.00 0.00 C ATOM 578 O SER A 40 -0.459 1.297 10.193 1.00 0.00 O ATOM 579 CB SER A 40 0.965 0.845 13.000 1.00 0.00 C ATOM 580 OG SER A 40 0.107 0.944 14.124 1.00 0.00 O ATOM 0 H SER A 40 1.707 0.100 10.332 1.00 0.00 H new ATOM 0 HA SER A 40 -0.037 -0.975 12.452 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.946 0.490 13.317 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.110 1.832 12.561 1.00 0.00 H new ATOM 0 HG SER A 40 0.498 1.556 14.781 1.00 0.00 H new ATOM 586 N LYS A 41 -1.959 0.390 11.603 1.00 0.00 N ATOM 587 CA LYS A 41 -3.109 0.999 10.947 1.00 0.00 C ATOM 588 C LYS A 41 -4.114 1.509 11.974 1.00 0.00 C ATOM 589 O LYS A 41 -4.885 0.746 12.556 1.00 0.00 O ATOM 590 CB LYS A 41 -3.784 -0.010 10.014 1.00 0.00 C ATOM 591 CG LYS A 41 -2.805 -0.802 9.165 1.00 0.00 C ATOM 592 CD LYS A 41 -3.421 -2.100 8.670 1.00 0.00 C ATOM 593 CE LYS A 41 -4.382 -1.857 7.516 1.00 0.00 C ATOM 594 NZ LYS A 41 -4.676 -3.109 6.766 1.00 0.00 N ATOM 0 H LYS A 41 -2.192 -0.191 12.408 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.754 1.846 10.360 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.378 -0.703 10.610 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.475 0.520 9.358 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.490 -0.199 8.313 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.911 -1.022 9.748 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.631 -2.780 8.350 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.950 -2.588 9.489 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.312 -1.437 7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.955 -1.119 6.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.307 -2.895 5.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.788 -3.515 6.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.138 -3.793 7.399 1.00 0.00 H new ATOM 608 N PRO A 42 -4.109 2.831 12.203 1.00 0.00 N ATOM 609 CA PRO A 42 -5.016 3.472 13.159 1.00 0.00 C ATOM 610 C PRO A 42 -6.464 3.462 12.681 1.00 0.00 C ATOM 611 O PRO A 42 -6.759 3.166 11.523 1.00 0.00 O ATOM 612 CB PRO A 42 -4.490 4.907 13.240 1.00 0.00 C ATOM 613 CG PRO A 42 -3.798 5.131 11.939 1.00 0.00 C ATOM 614 CD PRO A 42 -3.217 3.801 11.546 1.00 0.00 C ATOM 0 HA PRO A 42 -5.030 2.954 14.118 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.303 5.619 13.384 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.805 5.031 14.079 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.495 5.491 11.183 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.017 5.885 12.037 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.209 3.670 10.464 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.187 3.696 11.888 1.00 0.00 H new ATOM 622 N PRO A 43 -7.391 3.794 13.592 1.00 0.00 N ATOM 623 CA PRO A 43 -8.824 3.831 13.286 1.00 0.00 C ATOM 624 C PRO A 43 -9.188 4.981 12.353 1.00 0.00 C ATOM 625 O PRO A 43 -9.982 4.815 11.428 1.00 0.00 O ATOM 626 CB PRO A 43 -9.475 4.028 14.657 1.00 0.00 C ATOM 627 CG PRO A 43 -8.428 4.695 15.481 1.00 0.00 C ATOM 628 CD PRO A 43 -7.112 4.158 14.991 1.00 0.00 C ATOM 0 HA PRO A 43 -9.153 2.930 12.768 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -10.373 4.642 14.584 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.775 3.075 15.093 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -8.474 5.778 15.368 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.568 4.478 16.540 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.322 4.905 15.062 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.788 3.296 15.574 1.00 0.00 H new ATOM 636 N MET A 44 -8.601 6.147 12.603 1.00 0.00 N ATOM 637 CA MET A 44 -8.863 7.325 11.783 1.00 0.00 C ATOM 638 C MET A 44 -7.560 8.003 11.374 1.00 0.00 C ATOM 639 O MET A 44 -6.814 8.497 12.218 1.00 0.00 O ATOM 640 CB MET A 44 -9.750 8.314 12.543 1.00 0.00 C ATOM 641 CG MET A 44 -10.325 9.413 11.664 1.00 0.00 C ATOM 642 SD MET A 44 -11.231 8.766 10.245 1.00 0.00 S ATOM 643 CE MET A 44 -12.917 9.141 10.721 1.00 0.00 C ATOM 0 H MET A 44 -7.942 6.302 13.366 1.00 0.00 H new ATOM 0 HA MET A 44 -9.382 7.001 10.881 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.569 7.769 13.012 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.169 8.768 13.346 1.00 0.00 H new ATOM 0 HG2 MET A 44 -10.990 10.039 12.260 1.00 0.00 H new ATOM 0 HG3 MET A 44 -9.515 10.052 11.312 1.00 0.00 H new ATOM 0 HE1 MET A 44 -13.599 8.801 9.942 1.00 0.00 H new ATOM 0 HE2 MET A 44 -13.152 8.634 11.657 1.00 0.00 H new ATOM 0 HE3 MET A 44 -13.027 10.217 10.854 1.00 0.00 H new ATOM 653 N GLY A 45 -7.291 8.022 10.072 1.00 0.00 N ATOM 654 CA GLY A 45 -6.077 8.642 9.574 1.00 0.00 C ATOM 655 C GLY A 45 -5.429 7.838 8.464 1.00 0.00 C ATOM 656 O GLY A 45 -6.095 7.061 7.779 1.00 0.00 O ATOM 0 H GLY A 45 -7.892 7.619 9.353 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.308 9.642 9.207 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.369 8.759 10.395 1.00 0.00 H new ATOM 660 N THR A 46 -4.125 8.025 8.284 1.00 0.00 N ATOM 661 CA THR A 46 -3.387 7.314 7.248 1.00 0.00 C ATOM 662 C THR A 46 -2.741 6.050 7.803 1.00 0.00 C ATOM 663 O THR A 46 -2.657 5.866 9.017 1.00 0.00 O ATOM 664 CB THR A 46 -2.295 8.204 6.624 1.00 0.00 C ATOM 665 OG1 THR A 46 -2.857 9.458 6.221 1.00 0.00 O ATOM 666 CG2 THR A 46 -1.658 7.518 5.425 1.00 0.00 C ATOM 0 H THR A 46 -3.558 8.663 8.843 1.00 0.00 H new ATOM 0 HA THR A 46 -4.108 7.042 6.477 1.00 0.00 H new ATOM 0 HB THR A 46 -1.524 8.377 7.375 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.157 10.019 5.827 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.890 8.165 5.001 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.206 6.578 5.741 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.421 7.319 4.672 1.00 0.00 H new ATOM 674 N TRP A 47 -2.285 5.182 6.907 1.00 0.00 N ATOM 675 CA TRP A 47 -1.645 3.934 7.308 1.00 0.00 C ATOM 676 C TRP A 47 -0.126 4.067 7.277 1.00 0.00 C ATOM 677 O TRP A 47 0.413 4.989 6.665 1.00 0.00 O ATOM 678 CB TRP A 47 -2.088 2.792 6.393 1.00 0.00 C ATOM 679 CG TRP A 47 -3.487 2.325 6.661 1.00 0.00 C ATOM 680 CD1 TRP A 47 -4.208 2.512 7.805 1.00 0.00 C ATOM 681 CD2 TRP A 47 -4.331 1.591 5.768 1.00 0.00 C ATOM 682 NE1 TRP A 47 -5.450 1.939 7.677 1.00 0.00 N ATOM 683 CE2 TRP A 47 -5.551 1.368 6.436 1.00 0.00 C ATOM 684 CE3 TRP A 47 -4.176 1.102 4.468 1.00 0.00 C ATOM 685 CZ2 TRP A 47 -6.606 0.677 5.847 1.00 0.00 C ATOM 686 CZ3 TRP A 47 -5.225 0.416 3.885 1.00 0.00 C ATOM 687 CH2 TRP A 47 -6.427 0.209 4.574 1.00 0.00 C ATOM 0 H TRP A 47 -2.346 5.319 5.898 1.00 0.00 H new ATOM 0 HA TRP A 47 -1.951 3.710 8.330 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -2.014 3.118 5.355 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.403 1.953 6.514 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -3.854 3.034 8.682 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.179 1.939 8.391 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.253 1.257 3.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.533 0.516 6.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.116 0.033 2.881 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -7.228 -0.331 4.091 1.00 0.00 H new ATOM 698 N MET A 48 0.559 3.141 7.940 1.00 0.00 N ATOM 699 CA MET A 48 2.016 3.155 7.986 1.00 0.00 C ATOM 700 C MET A 48 2.586 1.803 7.571 1.00 0.00 C ATOM 701 O MET A 48 2.247 0.771 8.150 1.00 0.00 O ATOM 702 CB MET A 48 2.500 3.516 9.392 1.00 0.00 C ATOM 703 CG MET A 48 4.007 3.418 9.560 1.00 0.00 C ATOM 704 SD MET A 48 4.537 3.704 11.260 1.00 0.00 S ATOM 705 CE MET A 48 4.979 5.438 11.189 1.00 0.00 C ATOM 0 H MET A 48 0.128 2.372 8.453 1.00 0.00 H new ATOM 0 HA MET A 48 2.369 3.909 7.283 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.182 4.532 9.627 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.019 2.856 10.114 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.341 2.431 9.241 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.490 4.144 8.906 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.328 5.765 12.169 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.772 5.582 10.455 1.00 0.00 H new ATOM 0 HE3 MET A 48 4.107 6.024 10.900 1.00 0.00 H new ATOM 715 N GLY A 49 3.454 1.815 6.564 1.00 0.00 N ATOM 716 CA GLY A 49 4.057 0.583 6.089 1.00 0.00 C ATOM 717 C GLY A 49 5.502 0.768 5.672 1.00 0.00 C ATOM 718 O GLY A 49 5.927 1.879 5.353 1.00 0.00 O ATOM 0 H GLY A 49 3.750 2.656 6.069 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.002 -0.171 6.874 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.484 0.204 5.243 1.00 0.00 H new ATOM 722 N LEU A 50 6.261 -0.322 5.675 1.00 0.00 N ATOM 723 CA LEU A 50 7.669 -0.276 5.295 1.00 0.00 C ATOM 724 C LEU A 50 7.852 -0.677 3.834 1.00 0.00 C ATOM 725 O LEU A 50 7.465 -1.773 3.427 1.00 0.00 O ATOM 726 CB LEU A 50 8.491 -1.198 6.196 1.00 0.00 C ATOM 727 CG LEU A 50 10.010 -1.034 6.118 1.00 0.00 C ATOM 728 CD1 LEU A 50 10.435 0.294 6.726 1.00 0.00 C ATOM 729 CD2 LEU A 50 10.708 -2.191 6.816 1.00 0.00 C ATOM 0 H LEU A 50 5.925 -1.249 5.936 1.00 0.00 H new ATOM 0 HA LEU A 50 8.020 0.749 5.418 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.181 -1.035 7.228 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.244 -2.230 5.948 1.00 0.00 H new ATOM 0 HG LEU A 50 10.304 -1.040 5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.519 0.393 6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.963 1.111 6.181 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.129 0.330 7.771 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.788 -2.057 6.750 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.409 -2.218 7.864 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.428 -3.128 6.335 1.00 0.00 H new ATOM 741 N LEU A 51 8.447 0.216 3.051 1.00 0.00 N ATOM 742 CA LEU A 51 8.685 -0.046 1.636 1.00 0.00 C ATOM 743 C LEU A 51 10.093 0.380 1.233 1.00 0.00 C ATOM 744 O LEU A 51 10.444 1.556 1.315 1.00 0.00 O ATOM 745 CB LEU A 51 7.653 0.691 0.781 1.00 0.00 C ATOM 746 CG LEU A 51 7.979 0.813 -0.708 1.00 0.00 C ATOM 747 CD1 LEU A 51 7.891 -0.546 -1.387 1.00 0.00 C ATOM 748 CD2 LEU A 51 7.044 1.808 -1.379 1.00 0.00 C ATOM 0 H LEU A 51 8.773 1.128 3.372 1.00 0.00 H new ATOM 0 HA LEU A 51 8.588 -1.119 1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.695 0.180 0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.524 1.694 1.188 1.00 0.00 H new ATOM 0 HG LEU A 51 9.000 1.181 -0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.126 -0.440 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.602 -1.231 -0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.882 -0.943 -1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.291 1.882 -2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.014 1.470 -1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.157 2.786 -0.911 1.00 0.00 H new ATOM 760 N ASN A 52 10.895 -0.586 0.795 1.00 0.00 N ATOM 761 CA ASN A 52 12.265 -0.311 0.377 1.00 0.00 C ATOM 762 C ASN A 52 13.075 0.282 1.525 1.00 0.00 C ATOM 763 O ASN A 52 13.769 1.284 1.356 1.00 0.00 O ATOM 764 CB ASN A 52 12.273 0.647 -0.817 1.00 0.00 C ATOM 765 CG ASN A 52 12.196 -0.082 -2.144 1.00 0.00 C ATOM 766 OD1 ASN A 52 12.166 -1.312 -2.188 1.00 0.00 O ATOM 767 ND2 ASN A 52 12.163 0.675 -3.234 1.00 0.00 N ATOM 0 H ASN A 52 10.620 -1.565 0.720 1.00 0.00 H new ATOM 0 HA ASN A 52 12.725 -1.254 0.081 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.431 1.334 -0.734 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.180 1.250 -0.789 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.111 0.240 -4.155 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.190 1.691 -3.150 1.00 0.00 H new ATOM 774 N ASN A 53 12.983 -0.345 2.693 1.00 0.00 N ATOM 775 CA ASN A 53 13.707 0.121 3.870 1.00 0.00 C ATOM 776 C ASN A 53 13.329 1.560 4.208 1.00 0.00 C ATOM 777 O ASN A 53 14.192 2.388 4.502 1.00 0.00 O ATOM 778 CB ASN A 53 15.216 0.019 3.639 1.00 0.00 C ATOM 779 CG ASN A 53 16.007 0.123 4.929 1.00 0.00 C ATOM 780 OD1 ASN A 53 15.484 -0.134 6.013 1.00 0.00 O ATOM 781 ND2 ASN A 53 17.275 0.501 4.816 1.00 0.00 N ATOM 0 H ASN A 53 12.414 -1.177 2.850 1.00 0.00 H new ATOM 0 HA ASN A 53 13.431 -0.515 4.711 1.00 0.00 H new ATOM 0 HB2 ASN A 53 15.443 -0.930 3.152 1.00 0.00 H new ATOM 0 HB3 ASN A 53 15.531 0.810 2.958 1.00 0.00 H new ATOM 0 HD21 ASN A 53 17.857 0.588 5.649 1.00 0.00 H new ATOM 0 HD22 ASN A 53 17.667 0.704 3.896 1.00 0.00 H new ATOM 788 N LYS A 54 12.034 1.851 4.164 1.00 0.00 N ATOM 789 CA LYS A 54 11.540 3.189 4.466 1.00 0.00 C ATOM 790 C LYS A 54 10.073 3.146 4.885 1.00 0.00 C ATOM 791 O LYS A 54 9.190 2.897 4.064 1.00 0.00 O ATOM 792 CB LYS A 54 11.707 4.104 3.251 1.00 0.00 C ATOM 793 CG LYS A 54 11.376 5.559 3.535 1.00 0.00 C ATOM 794 CD LYS A 54 11.211 6.354 2.250 1.00 0.00 C ATOM 795 CE LYS A 54 12.544 6.891 1.752 1.00 0.00 C ATOM 796 NZ LYS A 54 13.023 8.037 2.574 1.00 0.00 N ATOM 0 H LYS A 54 11.307 1.178 3.922 1.00 0.00 H new ATOM 0 HA LYS A 54 12.126 3.586 5.295 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.735 4.037 2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.066 3.745 2.446 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.458 5.617 4.120 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.168 6.002 4.139 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.764 5.721 1.484 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.524 7.183 2.419 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.287 6.094 1.773 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.443 7.206 0.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.807 8.512 2.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.244 8.711 2.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.352 7.689 3.497 1.00 0.00 H new ATOM 810 N VAL A 55 9.821 3.391 6.167 1.00 0.00 N ATOM 811 CA VAL A 55 8.462 3.383 6.694 1.00 0.00 C ATOM 812 C VAL A 55 7.940 4.801 6.892 1.00 0.00 C ATOM 813 O VAL A 55 8.619 5.648 7.473 1.00 0.00 O ATOM 814 CB VAL A 55 8.383 2.626 8.033 1.00 0.00 C ATOM 815 CG1 VAL A 55 9.600 2.935 8.893 1.00 0.00 C ATOM 816 CG2 VAL A 55 7.098 2.976 8.768 1.00 0.00 C ATOM 0 H VAL A 55 10.541 3.597 6.860 1.00 0.00 H new ATOM 0 HA VAL A 55 7.841 2.871 5.959 1.00 0.00 H new ATOM 0 HB VAL A 55 8.376 1.556 7.826 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.527 2.392 9.835 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.504 2.630 8.367 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.641 4.006 9.094 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.059 2.432 9.712 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.072 4.048 8.965 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.241 2.699 8.154 1.00 0.00 H new ATOM 826 N GLY A 56 6.729 5.055 6.407 1.00 0.00 N ATOM 827 CA GLY A 56 6.136 6.372 6.541 1.00 0.00 C ATOM 828 C GLY A 56 4.622 6.335 6.489 1.00 0.00 C ATOM 829 O GLY A 56 3.985 5.576 7.221 1.00 0.00 O ATOM 0 H GLY A 56 6.147 4.371 5.923 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.453 6.815 7.485 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.508 7.017 5.745 1.00 0.00 H new ATOM 833 N THR A 57 4.040 7.158 5.622 1.00 0.00 N ATOM 834 CA THR A 57 2.591 7.219 5.479 1.00 0.00 C ATOM 835 C THR A 57 2.179 7.129 4.014 1.00 0.00 C ATOM 836 O THR A 57 2.783 7.765 3.149 1.00 0.00 O ATOM 837 CB THR A 57 2.021 8.516 6.083 1.00 0.00 C ATOM 838 OG1 THR A 57 2.442 9.644 5.307 1.00 0.00 O ATOM 839 CG2 THR A 57 2.475 8.687 7.524 1.00 0.00 C ATOM 0 H THR A 57 4.551 7.792 5.008 1.00 0.00 H new ATOM 0 HA THR A 57 2.183 6.366 6.021 1.00 0.00 H new ATOM 0 HB THR A 57 0.933 8.451 6.067 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.074 10.465 5.696 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.060 9.610 7.929 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.128 7.841 8.118 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.563 8.732 7.560 1.00 0.00 H new ATOM 847 N PHE A 58 1.147 6.338 3.741 1.00 0.00 N ATOM 848 CA PHE A 58 0.654 6.165 2.380 1.00 0.00 C ATOM 849 C PHE A 58 -0.869 6.076 2.360 1.00 0.00 C ATOM 850 O PHE A 58 -1.475 5.423 3.209 1.00 0.00 O ATOM 851 CB PHE A 58 1.258 4.908 1.752 1.00 0.00 C ATOM 852 CG PHE A 58 0.677 3.631 2.289 1.00 0.00 C ATOM 853 CD1 PHE A 58 1.155 3.078 3.465 1.00 0.00 C ATOM 854 CD2 PHE A 58 -0.347 2.984 1.616 1.00 0.00 C ATOM 855 CE1 PHE A 58 0.622 1.903 3.963 1.00 0.00 C ATOM 856 CE2 PHE A 58 -0.884 1.810 2.108 1.00 0.00 C ATOM 857 CZ PHE A 58 -0.398 1.268 3.282 1.00 0.00 C ATOM 0 H PHE A 58 0.635 5.806 4.445 1.00 0.00 H new ATOM 0 HA PHE A 58 0.957 7.035 1.797 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.106 4.942 0.673 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.335 4.908 1.922 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.954 3.570 4.000 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.730 3.402 0.697 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.003 1.483 4.882 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.683 1.316 1.575 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.815 0.349 3.667 1.00 0.00 H new ATOM 867 N LYS A 59 -1.481 6.739 1.385 1.00 0.00 N ATOM 868 CA LYS A 59 -2.933 6.735 1.251 1.00 0.00 C ATOM 869 C LYS A 59 -3.439 5.354 0.847 1.00 0.00 C ATOM 870 O LYS A 59 -2.725 4.583 0.206 1.00 0.00 O ATOM 871 CB LYS A 59 -3.374 7.774 0.218 1.00 0.00 C ATOM 872 CG LYS A 59 -3.312 9.204 0.728 1.00 0.00 C ATOM 873 CD LYS A 59 -4.617 9.618 1.386 1.00 0.00 C ATOM 874 CE LYS A 59 -5.584 10.219 0.378 1.00 0.00 C ATOM 875 NZ LYS A 59 -5.287 11.654 0.113 1.00 0.00 N ATOM 0 H LYS A 59 -0.994 7.286 0.675 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.362 6.990 2.220 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.743 7.685 -0.666 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.394 7.553 -0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.496 9.301 1.444 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.091 9.877 -0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.077 8.751 1.861 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.414 10.343 2.174 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.531 9.659 -0.555 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.604 10.122 0.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.968 12.027 -0.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.363 12.194 0.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.323 11.745 -0.266 1.00 0.00 H new ATOM 889 N PHE A 60 -4.676 5.049 1.224 1.00 0.00 N ATOM 890 CA PHE A 60 -5.278 3.760 0.900 1.00 0.00 C ATOM 891 C PHE A 60 -5.984 3.814 -0.451 1.00 0.00 C ATOM 892 O PHE A 60 -5.949 2.853 -1.220 1.00 0.00 O ATOM 893 CB PHE A 60 -6.270 3.348 1.990 1.00 0.00 C ATOM 894 CG PHE A 60 -7.047 4.500 2.561 1.00 0.00 C ATOM 895 CD1 PHE A 60 -8.228 4.917 1.969 1.00 0.00 C ATOM 896 CD2 PHE A 60 -6.596 5.166 3.689 1.00 0.00 C ATOM 897 CE1 PHE A 60 -8.945 5.977 2.491 1.00 0.00 C ATOM 898 CE2 PHE A 60 -7.309 6.226 4.216 1.00 0.00 C ATOM 899 CZ PHE A 60 -8.485 6.633 3.616 1.00 0.00 C ATOM 0 H PHE A 60 -5.281 5.676 1.754 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.481 3.019 0.845 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -6.967 2.618 1.578 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.728 2.852 2.795 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.593 4.408 1.089 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -5.677 4.853 4.162 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -9.864 6.292 2.020 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -6.947 6.736 5.097 1.00 0.00 H new ATOM 0 HZ PHE A 60 -9.043 7.462 4.026 1.00 0.00 H new ATOM 909 N ILE A 61 -6.624 4.944 -0.733 1.00 0.00 N ATOM 910 CA ILE A 61 -7.338 5.124 -1.991 1.00 0.00 C ATOM 911 C ILE A 61 -6.405 4.942 -3.183 1.00 0.00 C ATOM 912 O ILE A 61 -6.854 4.705 -4.305 1.00 0.00 O ATOM 913 CB ILE A 61 -7.992 6.516 -2.073 1.00 0.00 C ATOM 914 CG1 ILE A 61 -6.937 7.610 -1.897 1.00 0.00 C ATOM 915 CG2 ILE A 61 -9.084 6.652 -1.022 1.00 0.00 C ATOM 916 CD1 ILE A 61 -7.474 9.008 -2.111 1.00 0.00 C ATOM 0 H ILE A 61 -6.663 5.749 -0.107 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.118 4.363 -2.023 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.446 6.630 -3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.517 7.541 -0.893 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.121 7.432 -2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -9.536 7.641 -1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.847 5.891 -1.189 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.652 6.521 -0.030 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.671 9.732 -1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.868 9.095 -3.124 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.271 9.206 -1.394 1.00 0.00 H new ATOM 928 N TYR A 62 -5.105 5.052 -2.932 1.00 0.00 N ATOM 929 CA TYR A 62 -4.108 4.899 -3.985 1.00 0.00 C ATOM 930 C TYR A 62 -3.642 3.450 -4.088 1.00 0.00 C ATOM 931 O TYR A 62 -3.114 3.028 -5.117 1.00 0.00 O ATOM 932 CB TYR A 62 -2.912 5.814 -3.719 1.00 0.00 C ATOM 933 CG TYR A 62 -3.205 7.279 -3.952 1.00 0.00 C ATOM 934 CD1 TYR A 62 -3.865 8.036 -2.991 1.00 0.00 C ATOM 935 CD2 TYR A 62 -2.825 7.905 -5.132 1.00 0.00 C ATOM 936 CE1 TYR A 62 -4.136 9.375 -3.200 1.00 0.00 C ATOM 937 CE2 TYR A 62 -3.091 9.243 -5.348 1.00 0.00 C ATOM 938 CZ TYR A 62 -3.747 9.974 -4.380 1.00 0.00 C ATOM 939 OH TYR A 62 -4.015 11.307 -4.592 1.00 0.00 O ATOM 0 H TYR A 62 -4.717 5.246 -2.009 1.00 0.00 H new ATOM 0 HA TYR A 62 -4.569 5.181 -4.932 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.583 5.678 -2.689 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.084 5.511 -4.360 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -4.171 7.570 -2.066 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.313 7.336 -5.894 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -4.650 9.949 -2.443 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.787 9.715 -6.271 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.674 11.573 -5.471 1.00 0.00 H new ATOM 949 N VAL A 63 -3.842 2.693 -3.014 1.00 0.00 N ATOM 950 CA VAL A 63 -3.445 1.291 -2.983 1.00 0.00 C ATOM 951 C VAL A 63 -4.659 0.378 -2.859 1.00 0.00 C ATOM 952 O VAL A 63 -5.789 0.846 -2.714 1.00 0.00 O ATOM 953 CB VAL A 63 -2.481 1.006 -1.815 1.00 0.00 C ATOM 954 CG1 VAL A 63 -1.292 1.953 -1.862 1.00 0.00 C ATOM 955 CG2 VAL A 63 -3.210 1.117 -0.485 1.00 0.00 C ATOM 0 H VAL A 63 -4.277 3.027 -2.154 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.935 1.086 -3.924 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.107 -0.013 -1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.622 1.737 -1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.757 1.819 -2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.643 2.982 -1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.515 0.913 0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.613 2.124 -0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.025 0.394 -0.456 1.00 0.00 H new ATOM 965 N ASP A 64 -4.419 -0.928 -2.916 1.00 0.00 N ATOM 966 CA ASP A 64 -5.494 -1.908 -2.808 1.00 0.00 C ATOM 967 C ASP A 64 -5.200 -2.917 -1.703 1.00 0.00 C ATOM 968 O ASP A 64 -4.216 -3.654 -1.766 1.00 0.00 O ATOM 969 CB ASP A 64 -5.686 -2.633 -4.140 1.00 0.00 C ATOM 970 CG ASP A 64 -7.117 -3.089 -4.350 1.00 0.00 C ATOM 971 OD1 ASP A 64 -7.607 -3.900 -3.536 1.00 0.00 O ATOM 972 OD2 ASP A 64 -7.747 -2.635 -5.328 1.00 0.00 O ATOM 0 H ASP A 64 -3.490 -1.332 -3.036 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.412 -1.378 -2.556 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.395 -1.971 -4.956 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.023 -3.497 -4.179 1.00 0.00 H new ATOM 977 N VAL A 65 -6.060 -2.944 -0.689 1.00 0.00 N ATOM 978 CA VAL A 65 -5.892 -3.862 0.431 1.00 0.00 C ATOM 979 C VAL A 65 -6.016 -5.312 -0.024 1.00 0.00 C ATOM 980 O VAL A 65 -7.098 -5.766 -0.400 1.00 0.00 O ATOM 981 CB VAL A 65 -6.929 -3.593 1.538 1.00 0.00 C ATOM 982 CG1 VAL A 65 -6.773 -4.594 2.672 1.00 0.00 C ATOM 983 CG2 VAL A 65 -6.800 -2.167 2.053 1.00 0.00 C ATOM 0 H VAL A 65 -6.880 -2.341 -0.621 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.892 -3.693 0.831 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.926 -3.714 1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.514 -4.388 3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.920 -5.604 2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.773 -4.509 3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.540 -1.994 2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.800 -2.016 2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.967 -1.468 1.234 1.00 0.00 H new ATOM 993 N LEU A 66 -4.902 -6.035 0.013 1.00 0.00 N ATOM 994 CA LEU A 66 -4.885 -7.435 -0.395 1.00 0.00 C ATOM 995 C LEU A 66 -5.224 -8.349 0.778 1.00 0.00 C ATOM 996 O LEU A 66 -5.888 -9.372 0.610 1.00 0.00 O ATOM 997 CB LEU A 66 -3.514 -7.804 -0.965 1.00 0.00 C ATOM 998 CG LEU A 66 -2.942 -6.846 -2.010 1.00 0.00 C ATOM 999 CD1 LEU A 66 -1.476 -7.156 -2.272 1.00 0.00 C ATOM 1000 CD2 LEU A 66 -3.744 -6.924 -3.301 1.00 0.00 C ATOM 0 H LEU A 66 -3.999 -5.675 0.321 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.642 -7.572 -1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.806 -7.874 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.583 -8.797 -1.410 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.014 -5.830 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.086 -6.464 -3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.910 -7.048 -1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.380 -8.178 -2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.323 -6.235 -4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.704 -7.940 -3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.781 -6.652 -3.102 1.00 0.00 H new ATOM 1012 N SER A 67 -4.764 -7.971 1.967 1.00 0.00 N ATOM 1013 CA SER A 67 -5.017 -8.757 3.169 1.00 0.00 C ATOM 1014 C SER A 67 -6.444 -9.298 3.175 1.00 0.00 C ATOM 1015 O SER A 67 -6.669 -10.483 3.418 1.00 0.00 O ATOM 1016 CB SER A 67 -4.776 -7.909 4.419 1.00 0.00 C ATOM 1017 OG SER A 67 -5.599 -6.755 4.419 1.00 0.00 O ATOM 0 H SER A 67 -4.215 -7.126 2.123 1.00 0.00 H new ATOM 0 HA SER A 67 -4.327 -9.601 3.173 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.978 -8.503 5.310 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.728 -7.612 4.464 1.00 0.00 H new ATOM 0 HG SER A 67 -5.427 -6.231 5.229 1.00 0.00 H new ATOM 1023 N SER A 68 -7.404 -8.418 2.906 1.00 0.00 N ATOM 1024 CA SER A 68 -8.810 -8.805 2.884 1.00 0.00 C ATOM 1025 C SER A 68 -8.988 -10.167 2.219 1.00 0.00 C ATOM 1026 O SER A 68 -9.762 -11.001 2.686 1.00 0.00 O ATOM 1027 CB SER A 68 -9.638 -7.752 2.145 1.00 0.00 C ATOM 1028 OG SER A 68 -9.195 -7.600 0.808 1.00 0.00 O ATOM 0 H SER A 68 -7.234 -7.434 2.701 1.00 0.00 H new ATOM 0 HA SER A 68 -9.159 -8.875 3.914 1.00 0.00 H new ATOM 0 HB2 SER A 68 -10.689 -8.041 2.152 1.00 0.00 H new ATOM 0 HB3 SER A 68 -9.566 -6.797 2.666 1.00 0.00 H new ATOM 0 HG SER A 68 -8.488 -6.922 0.773 1.00 0.00 H new ATOM 1034 N GLY A 69 -8.265 -10.384 1.124 1.00 0.00 N ATOM 1035 CA GLY A 69 -8.358 -11.645 0.412 1.00 0.00 C ATOM 1036 C GLY A 69 -8.152 -11.484 -1.081 1.00 0.00 C ATOM 1037 O GLY A 69 -8.797 -10.663 -1.733 1.00 0.00 O ATOM 0 H GLY A 69 -7.617 -9.709 0.718 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.614 -12.337 0.806 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -9.336 -12.091 0.595 1.00 0.00 H new ATOM 1041 N PRO A 70 -7.232 -12.281 -1.645 1.00 0.00 N ATOM 1042 CA PRO A 70 -6.921 -12.241 -3.077 1.00 0.00 C ATOM 1043 C PRO A 70 -8.060 -12.785 -3.933 1.00 0.00 C ATOM 1044 O PRO A 70 -8.355 -13.980 -3.904 1.00 0.00 O ATOM 1045 CB PRO A 70 -5.687 -13.138 -3.197 1.00 0.00 C ATOM 1046 CG PRO A 70 -5.780 -14.068 -2.036 1.00 0.00 C ATOM 1047 CD PRO A 70 -6.426 -13.283 -0.928 1.00 0.00 C ATOM 0 HA PRO A 70 -6.761 -11.223 -3.431 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -5.684 -13.683 -4.141 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.768 -12.553 -3.163 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -6.372 -14.948 -2.287 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.793 -14.422 -1.739 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.045 -13.918 -0.294 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.684 -12.814 -0.282 1.00 0.00 H new ATOM 1055 N SER A 71 -8.697 -11.900 -4.693 1.00 0.00 N ATOM 1056 CA SER A 71 -9.806 -12.292 -5.556 1.00 0.00 C ATOM 1057 C SER A 71 -9.687 -11.633 -6.926 1.00 0.00 C ATOM 1058 O SER A 71 -9.604 -10.409 -7.034 1.00 0.00 O ATOM 1059 CB SER A 71 -11.140 -11.913 -4.909 1.00 0.00 C ATOM 1060 OG SER A 71 -11.272 -12.504 -3.628 1.00 0.00 O ATOM 0 H SER A 71 -8.465 -10.907 -4.729 1.00 0.00 H new ATOM 0 HA SER A 71 -9.768 -13.373 -5.688 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.210 -10.829 -4.822 1.00 0.00 H new ATOM 0 HB3 SER A 71 -11.962 -12.235 -5.548 1.00 0.00 H new ATOM 0 HG SER A 71 -12.132 -12.245 -3.235 1.00 0.00 H new ATOM 1066 N SER A 72 -9.679 -12.454 -7.972 1.00 0.00 N ATOM 1067 CA SER A 72 -9.567 -11.953 -9.337 1.00 0.00 C ATOM 1068 C SER A 72 -10.936 -11.571 -9.890 1.00 0.00 C ATOM 1069 O SER A 72 -11.886 -12.351 -9.821 1.00 0.00 O ATOM 1070 CB SER A 72 -8.915 -13.005 -10.237 1.00 0.00 C ATOM 1071 OG SER A 72 -7.517 -13.067 -10.018 1.00 0.00 O ATOM 0 H SER A 72 -9.749 -13.469 -7.900 1.00 0.00 H new ATOM 0 HA SER A 72 -8.940 -11.061 -9.320 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.360 -13.981 -10.043 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.112 -12.767 -11.282 1.00 0.00 H new ATOM 0 HG SER A 72 -7.124 -13.748 -10.604 1.00 0.00 H new ATOM 1077 N GLY A 73 -11.031 -10.364 -10.440 1.00 0.00 N ATOM 1078 CA GLY A 73 -12.287 -9.899 -10.997 1.00 0.00 C ATOM 1079 C GLY A 73 -12.275 -8.412 -11.293 1.00 0.00 C ATOM 1080 O GLY A 73 -11.213 -7.793 -11.349 1.00 0.00 O ATOM 0 H GLY A 73 -10.260 -9.700 -10.509 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.499 -10.447 -11.915 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.095 -10.121 -10.299 1.00 0.00 H new TER 1084 GLY A 73