USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 580 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 69 HIS : no HD1:sc= -3.92! C(o=-6!,f=-14!) USER MOD Set 1.2: A 70 HIS : no HD1:sc= -2.09 K(o=-6,f=-6.7!) USER MOD Single : A 1 MET CE :methyl -157:sc= -0.0973 (180deg=-0.678) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.154 (180deg=-0.67) USER MOD Single : A 2 LYS NZ :NH3+ -149:sc= -0.283 (180deg=-1.38!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0245 USER MOD Single : A 8 TYR OH : rot 151:sc= -1.32 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -114:sc= -1.26 (180deg=-3.61!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.993 X(o=-0.99,f=-0.94) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= -1.46 K(o=-1.5,f=-2.5!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -159:sc= -0.775 (180deg=-1.64!) USER MOD Single : A 36 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0201) USER MOD Single : A 40 LYS NZ :NH3+ -165:sc= -0.0151 (180deg=-0.251) USER MOD Single : A 43 LYS NZ :NH3+ -163:sc= -0.022 (180deg=-0.329) USER MOD Single : A 45 SER OG : rot -150:sc= -0.719 USER MOD Single : A 46 MET CE :methyl -156:sc= -0.114 (180deg=-0.823) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 52 THR OG1 : rot -130:sc= -1.29 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.553 USER MOD Single : A 56 LYS NZ :NH3+ -164:sc=-0.00586 (180deg=-0.29) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.679 X(o=-0.68,f=-0.91) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 73 HIS : no HE2:sc= -2.05! C(o=-2!,f=-3.7!) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.839 -0.290 -1.194 1.00 0.00 N ATOM 2 CA MET A 1 12.931 -0.899 -0.183 1.00 0.00 C ATOM 3 C MET A 1 11.635 -0.093 -0.140 1.00 0.00 C ATOM 4 O MET A 1 10.625 -0.541 0.366 1.00 0.00 O ATOM 5 CB MET A 1 13.602 -0.870 1.192 1.00 0.00 C ATOM 6 CG MET A 1 14.809 -1.809 1.188 1.00 0.00 C ATOM 7 SD MET A 1 15.558 -1.846 2.838 1.00 0.00 S ATOM 8 CE MET A 1 16.266 -0.179 2.828 1.00 0.00 C ATOM 0 H1 MET A 1 14.614 -0.950 -1.407 1.00 0.00 H new ATOM 0 H2 MET A 1 13.306 -0.090 -2.064 1.00 0.00 H new ATOM 0 H3 MET A 1 14.232 0.596 -0.818 1.00 0.00 H new ATOM 0 HA MET A 1 12.715 -1.933 -0.451 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.918 0.145 1.433 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.893 -1.175 1.962 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.500 -2.813 0.895 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.541 -1.474 0.453 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.091 -0.130 3.539 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.633 0.054 1.829 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.500 0.543 3.111 1.00 0.00 H new ATOM 20 N LYS A 2 11.664 1.102 -0.672 1.00 0.00 N ATOM 21 CA LYS A 2 10.446 1.971 -0.681 1.00 0.00 C ATOM 22 C LYS A 2 9.888 2.055 -2.100 1.00 0.00 C ATOM 23 O LYS A 2 10.430 1.495 -3.031 1.00 0.00 O ATOM 24 CB LYS A 2 10.820 3.372 -0.191 1.00 0.00 C ATOM 25 CG LYS A 2 11.881 3.988 -1.113 1.00 0.00 C ATOM 26 CD LYS A 2 12.301 5.371 -0.577 1.00 0.00 C ATOM 27 CE LYS A 2 11.348 6.451 -1.102 1.00 0.00 C ATOM 28 NZ LYS A 2 11.393 6.463 -2.592 1.00 0.00 N ATOM 0 H LYS A 2 12.488 1.518 -1.106 1.00 0.00 H new ATOM 0 HA LYS A 2 9.689 1.545 -0.022 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.934 4.006 -0.169 1.00 0.00 H new ATOM 0 HB3 LYS A 2 11.200 3.319 0.829 1.00 0.00 H new ATOM 0 HG2 LYS A 2 12.749 3.332 -1.172 1.00 0.00 H new ATOM 0 HG3 LYS A 2 11.485 4.085 -2.124 1.00 0.00 H new ATOM 0 HD2 LYS A 2 12.292 5.365 0.513 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.322 5.595 -0.886 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.332 6.255 -0.759 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.634 7.427 -0.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.217 7.428 -2.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 12.330 6.146 -2.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.664 5.823 -2.966 1.00 0.00 H new ATOM 42 N GLY A 3 8.801 2.749 -2.275 1.00 0.00 N ATOM 43 CA GLY A 3 8.212 2.859 -3.637 1.00 0.00 C ATOM 44 C GLY A 3 7.073 3.878 -3.624 1.00 0.00 C ATOM 45 O GLY A 3 6.984 4.720 -2.753 1.00 0.00 O ATOM 0 H GLY A 3 8.297 3.243 -1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 3 8.977 3.163 -4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 3 7.840 1.887 -3.963 1.00 0.00 H new ATOM 49 N LYS A 4 6.202 3.806 -4.598 1.00 0.00 N ATOM 50 CA LYS A 4 5.058 4.766 -4.672 1.00 0.00 C ATOM 51 C LYS A 4 3.763 4.003 -4.935 1.00 0.00 C ATOM 52 O LYS A 4 3.698 3.127 -5.776 1.00 0.00 O ATOM 53 CB LYS A 4 5.310 5.753 -5.812 1.00 0.00 C ATOM 54 CG LYS A 4 4.182 6.784 -5.855 1.00 0.00 C ATOM 55 CD LYS A 4 4.462 7.810 -6.954 1.00 0.00 C ATOM 56 CE LYS A 4 3.337 8.847 -6.980 1.00 0.00 C ATOM 57 NZ LYS A 4 3.385 9.602 -8.262 1.00 0.00 N ATOM 0 H LYS A 4 6.234 3.119 -5.351 1.00 0.00 H new ATOM 0 HA LYS A 4 4.970 5.305 -3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.268 6.253 -5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.367 5.221 -6.762 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.230 6.288 -6.042 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.097 7.284 -4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.419 8.300 -6.774 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.535 7.313 -7.921 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.371 8.354 -6.873 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.440 9.532 -6.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.620 10.306 -8.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.302 10.085 -8.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.266 8.943 -9.058 1.00 0.00 H new ATOM 71 N VAL A 5 2.722 4.335 -4.216 1.00 0.00 N ATOM 72 CA VAL A 5 1.422 3.637 -4.419 1.00 0.00 C ATOM 73 C VAL A 5 0.687 4.264 -5.603 1.00 0.00 C ATOM 74 O VAL A 5 0.151 5.352 -5.520 1.00 0.00 O ATOM 75 CB VAL A 5 0.580 3.747 -3.142 1.00 0.00 C ATOM 76 CG1 VAL A 5 0.397 5.224 -2.741 1.00 0.00 C ATOM 77 CG2 VAL A 5 -0.786 3.091 -3.372 1.00 0.00 C ATOM 0 H VAL A 5 2.718 5.059 -3.498 1.00 0.00 H new ATOM 0 HA VAL A 5 1.596 2.583 -4.634 1.00 0.00 H new ATOM 0 HB VAL A 5 1.097 3.233 -2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.203 5.283 -1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.373 5.676 -2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.108 5.759 -3.545 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.385 3.169 -2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.299 3.597 -4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.647 2.040 -3.626 1.00 0.00 H new ATOM 87 N VAL A 6 0.669 3.577 -6.713 1.00 0.00 N ATOM 88 CA VAL A 6 -0.023 4.110 -7.921 1.00 0.00 C ATOM 89 C VAL A 6 -1.533 4.099 -7.698 1.00 0.00 C ATOM 90 O VAL A 6 -2.246 4.983 -8.135 1.00 0.00 O ATOM 91 CB VAL A 6 0.331 3.236 -9.127 1.00 0.00 C ATOM 92 CG1 VAL A 6 -0.093 1.789 -8.862 1.00 0.00 C ATOM 93 CG2 VAL A 6 -0.399 3.756 -10.365 1.00 0.00 C ATOM 0 H VAL A 6 1.107 2.664 -6.835 1.00 0.00 H new ATOM 0 HA VAL A 6 0.299 5.135 -8.106 1.00 0.00 H new ATOM 0 HB VAL A 6 1.408 3.273 -9.292 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.161 1.172 -9.724 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.426 1.413 -7.980 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.169 1.750 -8.693 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.147 3.134 -11.224 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.475 3.721 -10.194 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.096 4.785 -10.561 1.00 0.00 H new ATOM 103 N SER A 7 -2.036 3.106 -7.021 1.00 0.00 N ATOM 104 CA SER A 7 -3.507 3.049 -6.783 1.00 0.00 C ATOM 105 C SER A 7 -3.791 2.333 -5.470 1.00 0.00 C ATOM 106 O SER A 7 -3.118 1.391 -5.101 1.00 0.00 O ATOM 107 CB SER A 7 -4.187 2.285 -7.918 1.00 0.00 C ATOM 108 OG SER A 7 -5.583 2.196 -7.652 1.00 0.00 O ATOM 0 H SER A 7 -1.498 2.336 -6.624 1.00 0.00 H new ATOM 0 HA SER A 7 -3.894 4.067 -6.739 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.017 2.793 -8.867 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.758 1.287 -8.009 1.00 0.00 H new ATOM 0 HG SER A 7 -6.024 1.708 -8.379 1.00 0.00 H new ATOM 114 N TYR A 8 -4.805 2.772 -4.770 1.00 0.00 N ATOM 115 CA TYR A 8 -5.187 2.134 -3.475 1.00 0.00 C ATOM 116 C TYR A 8 -6.663 1.729 -3.554 1.00 0.00 C ATOM 117 O TYR A 8 -7.010 0.561 -3.572 1.00 0.00 O ATOM 118 CB TYR A 8 -4.984 3.148 -2.328 1.00 0.00 C ATOM 119 CG TYR A 8 -5.858 2.783 -1.143 1.00 0.00 C ATOM 120 CD1 TYR A 8 -5.950 1.449 -0.729 1.00 0.00 C ATOM 121 CD2 TYR A 8 -6.581 3.775 -0.465 1.00 0.00 C ATOM 122 CE1 TYR A 8 -6.774 1.102 0.342 1.00 0.00 C ATOM 123 CE2 TYR A 8 -7.409 3.423 0.609 1.00 0.00 C ATOM 124 CZ TYR A 8 -7.496 2.088 1.017 1.00 0.00 C ATOM 125 OH TYR A 8 -8.307 1.740 2.074 1.00 0.00 O ATOM 0 H TYR A 8 -5.394 3.558 -5.046 1.00 0.00 H new ATOM 0 HA TYR A 8 -4.570 1.256 -3.286 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.937 3.161 -2.026 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.229 4.152 -2.674 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.381 0.686 -1.240 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.500 4.808 -0.770 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -6.853 0.070 0.649 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.980 4.183 1.122 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.363 2.489 2.704 1.00 0.00 H new ATOM 135 N LEU A 9 -7.530 2.695 -3.588 1.00 0.00 N ATOM 136 CA LEU A 9 -8.990 2.406 -3.648 1.00 0.00 C ATOM 137 C LEU A 9 -9.397 1.552 -2.441 1.00 0.00 C ATOM 138 O LEU A 9 -9.063 0.388 -2.334 1.00 0.00 O ATOM 139 CB LEU A 9 -9.323 1.668 -4.952 1.00 0.00 C ATOM 140 CG LEU A 9 -8.554 2.310 -6.113 1.00 0.00 C ATOM 141 CD1 LEU A 9 -9.066 1.742 -7.436 1.00 0.00 C ATOM 142 CD2 LEU A 9 -8.752 3.830 -6.094 1.00 0.00 C ATOM 0 H LEU A 9 -7.289 3.686 -3.577 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.544 3.345 -3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.057 0.614 -4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.395 1.712 -5.144 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.492 2.089 -6.007 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.521 2.197 -8.263 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.914 0.663 -7.452 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.129 1.960 -7.539 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.203 4.279 -6.922 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.813 4.060 -6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.382 4.233 -5.152 1.00 0.00 H new ATOM 154 N ALA A 10 -10.124 2.139 -1.531 1.00 0.00 N ATOM 155 CA ALA A 10 -10.582 1.393 -0.323 1.00 0.00 C ATOM 156 C ALA A 10 -11.881 0.662 -0.660 1.00 0.00 C ATOM 157 O ALA A 10 -12.250 -0.316 -0.035 1.00 0.00 O ATOM 158 CB ALA A 10 -10.835 2.389 0.810 1.00 0.00 C ATOM 0 H ALA A 10 -10.424 3.113 -1.572 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.824 0.673 -0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.170 1.853 1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.913 2.925 1.036 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.602 3.100 0.504 1.00 0.00 H new ATOM 164 N ALA A 11 -12.583 1.140 -1.648 1.00 0.00 N ATOM 165 CA ALA A 11 -13.867 0.493 -2.048 1.00 0.00 C ATOM 166 C ALA A 11 -13.605 -0.956 -2.470 1.00 0.00 C ATOM 167 O ALA A 11 -14.358 -1.858 -2.157 1.00 0.00 O ATOM 168 CB ALA A 11 -14.458 1.256 -3.234 1.00 0.00 C ATOM 0 H ALA A 11 -12.322 1.957 -2.201 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.560 0.507 -1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.397 0.791 -3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.641 2.291 -2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.757 1.231 -4.069 1.00 0.00 H new ATOM 174 N LYS A 12 -12.536 -1.187 -3.179 1.00 0.00 N ATOM 175 CA LYS A 12 -12.207 -2.575 -3.624 1.00 0.00 C ATOM 176 C LYS A 12 -11.182 -3.169 -2.651 1.00 0.00 C ATOM 177 O LYS A 12 -10.791 -4.318 -2.752 1.00 0.00 O ATOM 178 CB LYS A 12 -11.623 -2.516 -5.040 1.00 0.00 C ATOM 179 CG LYS A 12 -12.705 -2.029 -6.012 1.00 0.00 C ATOM 180 CD LYS A 12 -12.131 -1.955 -7.429 1.00 0.00 C ATOM 181 CE LYS A 12 -13.221 -1.486 -8.397 1.00 0.00 C ATOM 182 NZ LYS A 12 -12.659 -1.406 -9.775 1.00 0.00 N ATOM 0 H LYS A 12 -11.871 -0.472 -3.472 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.100 -3.200 -3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.766 -1.843 -5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.265 -3.501 -5.340 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -13.559 -2.707 -5.990 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.068 -1.048 -5.705 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.286 -1.267 -7.455 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.756 -2.932 -7.733 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.064 -2.177 -8.376 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.600 -0.511 -8.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.398 -1.088 -10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.869 -0.730 -9.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.317 -2.344 -10.066 1.00 0.00 H new ATOM 196 N LYS A 13 -10.750 -2.383 -1.703 1.00 0.00 N ATOM 197 CA LYS A 13 -9.753 -2.871 -0.704 1.00 0.00 C ATOM 198 C LYS A 13 -8.544 -3.484 -1.411 1.00 0.00 C ATOM 199 O LYS A 13 -7.689 -4.084 -0.788 1.00 0.00 O ATOM 200 CB LYS A 13 -10.392 -3.920 0.209 1.00 0.00 C ATOM 201 CG LYS A 13 -11.347 -3.228 1.180 1.00 0.00 C ATOM 202 CD LYS A 13 -11.911 -4.258 2.163 1.00 0.00 C ATOM 203 CE LYS A 13 -12.781 -5.284 1.423 1.00 0.00 C ATOM 204 NZ LYS A 13 -11.917 -6.391 0.926 1.00 0.00 N ATOM 0 H LYS A 13 -11.047 -1.415 -1.576 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.424 -2.021 -0.106 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.931 -4.657 -0.386 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.621 -4.458 0.760 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.824 -2.441 1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.159 -2.751 0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.094 -4.766 2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.502 -3.754 2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.548 -5.677 2.090 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.297 -4.807 0.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.907 -6.384 -0.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.948 -6.262 1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.291 -7.301 1.262 1.00 0.00 H new ATOM 218 N TYR A 14 -8.458 -3.331 -2.706 1.00 0.00 N ATOM 219 CA TYR A 14 -7.296 -3.896 -3.460 1.00 0.00 C ATOM 220 C TYR A 14 -6.731 -2.836 -4.399 1.00 0.00 C ATOM 221 O TYR A 14 -7.436 -1.986 -4.903 1.00 0.00 O ATOM 222 CB TYR A 14 -7.738 -5.115 -4.270 1.00 0.00 C ATOM 223 CG TYR A 14 -8.168 -6.223 -3.328 1.00 0.00 C ATOM 224 CD1 TYR A 14 -7.241 -6.783 -2.437 1.00 0.00 C ATOM 225 CD2 TYR A 14 -9.491 -6.685 -3.338 1.00 0.00 C ATOM 226 CE1 TYR A 14 -7.633 -7.808 -1.568 1.00 0.00 C ATOM 227 CE2 TYR A 14 -9.881 -7.712 -2.468 1.00 0.00 C ATOM 228 CZ TYR A 14 -8.954 -8.267 -1.579 1.00 0.00 C ATOM 229 OH TYR A 14 -9.338 -9.281 -0.722 1.00 0.00 O ATOM 0 H TYR A 14 -9.144 -2.838 -3.278 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.527 -4.201 -2.750 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.562 -4.846 -4.931 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.920 -5.459 -4.903 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -6.223 -6.423 -2.421 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.210 -6.250 -4.016 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.915 -8.244 -0.889 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.898 -8.075 -2.484 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.288 -9.480 -0.856 1.00 0.00 H new ATOM 239 N GLY A 15 -5.448 -2.879 -4.630 1.00 0.00 N ATOM 240 CA GLY A 15 -4.819 -1.873 -5.526 1.00 0.00 C ATOM 241 C GLY A 15 -3.442 -2.371 -5.957 1.00 0.00 C ATOM 242 O GLY A 15 -3.145 -3.547 -5.900 1.00 0.00 O ATOM 0 H GLY A 15 -4.809 -3.569 -4.236 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.448 -1.705 -6.401 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.728 -0.917 -5.011 1.00 0.00 H new ATOM 246 N PHE A 16 -2.596 -1.478 -6.396 1.00 0.00 N ATOM 247 CA PHE A 16 -1.230 -1.888 -6.846 1.00 0.00 C ATOM 248 C PHE A 16 -0.204 -0.870 -6.356 1.00 0.00 C ATOM 249 O PHE A 16 -0.516 0.280 -6.101 1.00 0.00 O ATOM 250 CB PHE A 16 -1.197 -1.950 -8.372 1.00 0.00 C ATOM 251 CG PHE A 16 -2.111 -3.057 -8.834 1.00 0.00 C ATOM 252 CD1 PHE A 16 -1.680 -4.387 -8.777 1.00 0.00 C ATOM 253 CD2 PHE A 16 -3.390 -2.756 -9.317 1.00 0.00 C ATOM 254 CE1 PHE A 16 -2.527 -5.417 -9.200 1.00 0.00 C ATOM 255 CE2 PHE A 16 -4.238 -3.784 -9.741 1.00 0.00 C ATOM 256 CZ PHE A 16 -3.807 -5.116 -9.682 1.00 0.00 C ATOM 0 H PHE A 16 -2.791 -0.479 -6.463 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.991 -2.869 -6.435 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.515 -0.997 -8.795 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.180 -2.130 -8.720 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.692 -4.619 -8.406 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.722 -1.729 -9.362 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.194 -6.443 -9.155 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.225 -3.551 -10.114 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.462 -5.910 -10.008 1.00 0.00 H new ATOM 266 N ILE A 17 1.025 -1.298 -6.222 1.00 0.00 N ATOM 267 CA ILE A 17 2.108 -0.387 -5.747 1.00 0.00 C ATOM 268 C ILE A 17 3.313 -0.516 -6.673 1.00 0.00 C ATOM 269 O ILE A 17 3.710 -1.602 -7.043 1.00 0.00 O ATOM 270 CB ILE A 17 2.507 -0.775 -4.323 1.00 0.00 C ATOM 271 CG1 ILE A 17 1.324 -0.520 -3.385 1.00 0.00 C ATOM 272 CG2 ILE A 17 3.706 0.061 -3.874 1.00 0.00 C ATOM 273 CD1 ILE A 17 1.614 -1.131 -2.012 1.00 0.00 C ATOM 0 H ILE A 17 1.327 -2.251 -6.424 1.00 0.00 H new ATOM 0 HA ILE A 17 1.754 0.644 -5.754 1.00 0.00 H new ATOM 0 HB ILE A 17 2.779 -1.830 -4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.149 0.551 -3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.416 -0.955 -3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.986 -0.220 -2.859 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.546 -0.118 -4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.442 1.118 -3.898 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.770 -0.948 -1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.767 -2.205 -2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.512 -0.676 -1.593 1.00 0.00 H new ATOM 285 N GLN A 18 3.895 0.592 -7.059 1.00 0.00 N ATOM 286 CA GLN A 18 5.074 0.544 -7.977 1.00 0.00 C ATOM 287 C GLN A 18 6.361 0.738 -7.176 1.00 0.00 C ATOM 288 O GLN A 18 6.577 1.755 -6.544 1.00 0.00 O ATOM 289 CB GLN A 18 4.945 1.657 -9.021 1.00 0.00 C ATOM 290 CG GLN A 18 6.080 1.552 -10.044 1.00 0.00 C ATOM 291 CD GLN A 18 5.941 0.246 -10.830 1.00 0.00 C ATOM 292 OE1 GLN A 18 4.845 -0.156 -11.169 1.00 0.00 O ATOM 293 NE2 GLN A 18 7.009 -0.440 -11.126 1.00 0.00 N ATOM 0 H GLN A 18 3.604 1.528 -6.778 1.00 0.00 H new ATOM 0 HA GLN A 18 5.108 -0.424 -8.476 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.982 1.583 -9.526 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.975 2.631 -8.532 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.050 2.403 -10.724 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.044 1.583 -9.537 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.928 -0.101 -10.841 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.926 -1.315 -11.643 1.00 0.00 H new ATOM 302 N GLY A 19 7.216 -0.246 -7.202 1.00 0.00 N ATOM 303 CA GLY A 19 8.502 -0.158 -6.449 1.00 0.00 C ATOM 304 C GLY A 19 9.450 0.851 -7.103 1.00 0.00 C ATOM 305 O GLY A 19 9.362 1.147 -8.279 1.00 0.00 O ATOM 0 H GLY A 19 7.079 -1.116 -7.717 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.305 0.137 -5.418 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.976 -1.139 -6.415 1.00 0.00 H new ATOM 309 N ASP A 20 10.369 1.370 -6.336 1.00 0.00 N ATOM 310 CA ASP A 20 11.353 2.351 -6.879 1.00 0.00 C ATOM 311 C ASP A 20 12.278 1.649 -7.881 1.00 0.00 C ATOM 312 O ASP A 20 12.808 2.259 -8.791 1.00 0.00 O ATOM 313 CB ASP A 20 12.187 2.912 -5.723 1.00 0.00 C ATOM 314 CG ASP A 20 12.891 1.766 -4.988 1.00 0.00 C ATOM 315 OD1 ASP A 20 12.631 0.622 -5.320 1.00 0.00 O ATOM 316 OD2 ASP A 20 13.680 2.055 -4.101 1.00 0.00 O ATOM 0 H ASP A 20 10.482 1.154 -5.345 1.00 0.00 H new ATOM 0 HA ASP A 20 10.825 3.161 -7.382 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.924 3.619 -6.104 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.546 3.460 -5.032 1.00 0.00 H new ATOM 321 N ASP A 21 12.480 0.373 -7.716 1.00 0.00 N ATOM 322 CA ASP A 21 13.375 -0.377 -8.648 1.00 0.00 C ATOM 323 C ASP A 21 12.554 -0.911 -9.828 1.00 0.00 C ATOM 324 O ASP A 21 13.030 -1.686 -10.636 1.00 0.00 O ATOM 325 CB ASP A 21 14.035 -1.538 -7.893 1.00 0.00 C ATOM 326 CG ASP A 21 12.962 -2.394 -7.214 1.00 0.00 C ATOM 327 OD1 ASP A 21 11.809 -2.002 -7.247 1.00 0.00 O ATOM 328 OD2 ASP A 21 13.317 -3.426 -6.666 1.00 0.00 O ATOM 0 H ASP A 21 12.063 -0.188 -6.973 1.00 0.00 H new ATOM 0 HA ASP A 21 14.151 0.287 -9.030 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.617 -2.149 -8.584 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.729 -1.151 -7.147 1.00 0.00 H new ATOM 333 N GLY A 22 11.321 -0.497 -9.934 1.00 0.00 N ATOM 334 CA GLY A 22 10.461 -0.977 -11.059 1.00 0.00 C ATOM 335 C GLY A 22 9.777 -2.285 -10.656 1.00 0.00 C ATOM 336 O GLY A 22 9.214 -2.985 -11.476 1.00 0.00 O ATOM 0 H GLY A 22 10.869 0.153 -9.291 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.713 -0.224 -11.306 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.065 -1.131 -11.953 1.00 0.00 H new ATOM 340 N GLU A 23 9.824 -2.629 -9.396 1.00 0.00 N ATOM 341 CA GLU A 23 9.179 -3.900 -8.942 1.00 0.00 C ATOM 342 C GLU A 23 7.774 -3.611 -8.413 1.00 0.00 C ATOM 343 O GLU A 23 7.590 -2.945 -7.412 1.00 0.00 O ATOM 344 CB GLU A 23 10.027 -4.526 -7.833 1.00 0.00 C ATOM 345 CG GLU A 23 11.387 -4.944 -8.402 1.00 0.00 C ATOM 346 CD GLU A 23 11.196 -6.050 -9.444 1.00 0.00 C ATOM 347 OE1 GLU A 23 10.149 -6.677 -9.425 1.00 0.00 O ATOM 348 OE2 GLU A 23 12.095 -6.246 -10.244 1.00 0.00 O ATOM 0 H GLU A 23 10.280 -2.087 -8.662 1.00 0.00 H new ATOM 0 HA GLU A 23 9.106 -4.590 -9.783 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.165 -3.813 -7.020 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.515 -5.392 -7.414 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.881 -4.085 -8.856 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.035 -5.296 -7.599 1.00 0.00 H new ATOM 355 N SER A 24 6.782 -4.120 -9.086 1.00 0.00 N ATOM 356 CA SER A 24 5.376 -3.901 -8.649 1.00 0.00 C ATOM 357 C SER A 24 5.045 -4.841 -7.491 1.00 0.00 C ATOM 358 O SER A 24 5.548 -5.944 -7.410 1.00 0.00 O ATOM 359 CB SER A 24 4.442 -4.189 -9.819 1.00 0.00 C ATOM 360 OG SER A 24 3.094 -4.042 -9.394 1.00 0.00 O ATOM 0 H SER A 24 6.886 -4.684 -9.929 1.00 0.00 H new ATOM 0 HA SER A 24 5.251 -2.869 -8.320 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.652 -3.506 -10.643 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.609 -5.199 -10.192 1.00 0.00 H new ATOM 0 HG SER A 24 2.492 -4.225 -10.146 1.00 0.00 H new ATOM 366 N TYR A 25 4.197 -4.410 -6.592 1.00 0.00 N ATOM 367 CA TYR A 25 3.817 -5.270 -5.427 1.00 0.00 C ATOM 368 C TYR A 25 2.296 -5.282 -5.265 1.00 0.00 C ATOM 369 O TYR A 25 1.625 -4.285 -5.453 1.00 0.00 O ATOM 370 CB TYR A 25 4.468 -4.720 -4.162 1.00 0.00 C ATOM 371 CG TYR A 25 5.967 -4.865 -4.279 1.00 0.00 C ATOM 372 CD1 TYR A 25 6.584 -6.055 -3.878 1.00 0.00 C ATOM 373 CD2 TYR A 25 6.739 -3.813 -4.787 1.00 0.00 C ATOM 374 CE1 TYR A 25 7.971 -6.196 -3.988 1.00 0.00 C ATOM 375 CE2 TYR A 25 8.128 -3.954 -4.895 1.00 0.00 C ATOM 376 CZ TYR A 25 8.744 -5.145 -4.495 1.00 0.00 C ATOM 377 OH TYR A 25 10.113 -5.285 -4.602 1.00 0.00 O ATOM 0 H TYR A 25 3.748 -3.494 -6.614 1.00 0.00 H new ATOM 0 HA TYR A 25 4.162 -6.289 -5.600 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.200 -3.672 -4.026 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.105 -5.258 -3.287 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.989 -6.865 -3.483 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.264 -2.894 -5.095 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.446 -7.116 -3.682 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.724 -3.143 -5.287 1.00 0.00 H new ATOM 0 HH TYR A 25 10.498 -4.464 -4.973 1.00 0.00 H new ATOM 387 N PHE A 26 1.753 -6.415 -4.919 1.00 0.00 N ATOM 388 CA PHE A 26 0.277 -6.524 -4.739 1.00 0.00 C ATOM 389 C PHE A 26 -0.132 -5.893 -3.414 1.00 0.00 C ATOM 390 O PHE A 26 0.572 -5.971 -2.427 1.00 0.00 O ATOM 391 CB PHE A 26 -0.122 -8.004 -4.748 1.00 0.00 C ATOM 392 CG PHE A 26 -0.184 -8.493 -6.176 1.00 0.00 C ATOM 393 CD1 PHE A 26 0.996 -8.781 -6.870 1.00 0.00 C ATOM 394 CD2 PHE A 26 -1.424 -8.648 -6.804 1.00 0.00 C ATOM 395 CE1 PHE A 26 0.935 -9.225 -8.195 1.00 0.00 C ATOM 396 CE2 PHE A 26 -1.486 -9.094 -8.126 1.00 0.00 C ATOM 397 CZ PHE A 26 -0.308 -9.381 -8.824 1.00 0.00 C ATOM 0 H PHE A 26 2.272 -7.277 -4.752 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.227 -6.001 -5.552 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.600 -8.591 -4.181 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.090 -8.135 -4.264 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.953 -8.661 -6.383 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.333 -8.423 -6.267 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.845 -9.447 -8.733 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.444 -9.217 -8.610 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.356 -9.723 -9.847 1.00 0.00 H new ATOM 407 N LEU A 27 -1.278 -5.262 -3.392 1.00 0.00 N ATOM 408 CA LEU A 27 -1.764 -4.610 -2.143 1.00 0.00 C ATOM 409 C LEU A 27 -3.026 -5.328 -1.655 1.00 0.00 C ATOM 410 O LEU A 27 -4.017 -5.429 -2.354 1.00 0.00 O ATOM 411 CB LEU A 27 -2.080 -3.145 -2.448 1.00 0.00 C ATOM 412 CG LEU A 27 -2.243 -2.357 -1.137 1.00 0.00 C ATOM 413 CD1 LEU A 27 -2.247 -0.855 -1.439 1.00 0.00 C ATOM 414 CD2 LEU A 27 -3.550 -2.758 -0.416 1.00 0.00 C ATOM 0 H LEU A 27 -1.902 -5.171 -4.194 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.002 -4.666 -1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.280 -2.709 -3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.994 -3.077 -3.039 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.406 -2.592 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.363 -0.297 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.306 -0.577 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.075 -0.621 -2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.645 -2.189 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.402 -2.546 -1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.526 -3.823 -0.185 1.00 0.00 H new ATOM 426 N HIS A 28 -2.988 -5.826 -0.445 1.00 0.00 N ATOM 427 CA HIS A 28 -4.169 -6.544 0.126 1.00 0.00 C ATOM 428 C HIS A 28 -4.350 -6.146 1.594 1.00 0.00 C ATOM 429 O HIS A 28 -3.446 -5.648 2.235 1.00 0.00 O ATOM 430 CB HIS A 28 -3.948 -8.059 0.024 1.00 0.00 C ATOM 431 CG HIS A 28 -2.524 -8.390 0.371 1.00 0.00 C ATOM 432 ND1 HIS A 28 -1.529 -8.465 -0.591 1.00 0.00 N ATOM 433 CD2 HIS A 28 -1.913 -8.682 1.565 1.00 0.00 C ATOM 434 CE1 HIS A 28 -0.383 -8.795 0.034 1.00 0.00 C ATOM 435 NE2 HIS A 28 -0.561 -8.940 1.350 1.00 0.00 N ATOM 0 H HIS A 28 -2.182 -5.765 0.177 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.064 -6.273 -0.434 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.627 -8.581 0.698 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.175 -8.402 -0.985 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -1.644 -8.300 -1.591 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -2.406 -8.708 2.526 1.00 0.00 H new ATOM 0 HE1 HIS A 28 0.564 -8.926 -0.467 1.00 0.00 H new ATOM 443 N PHE A 29 -5.523 -6.360 2.121 1.00 0.00 N ATOM 444 CA PHE A 29 -5.803 -6.003 3.543 1.00 0.00 C ATOM 445 C PHE A 29 -5.376 -7.163 4.443 1.00 0.00 C ATOM 446 O PHE A 29 -5.319 -7.050 5.652 1.00 0.00 O ATOM 447 CB PHE A 29 -7.310 -5.751 3.703 1.00 0.00 C ATOM 448 CG PHE A 29 -7.652 -4.340 3.272 1.00 0.00 C ATOM 449 CD1 PHE A 29 -7.246 -3.873 2.015 1.00 0.00 C ATOM 450 CD2 PHE A 29 -8.359 -3.493 4.136 1.00 0.00 C ATOM 451 CE1 PHE A 29 -7.553 -2.571 1.621 1.00 0.00 C ATOM 452 CE2 PHE A 29 -8.668 -2.189 3.738 1.00 0.00 C ATOM 453 CZ PHE A 29 -8.259 -1.725 2.482 1.00 0.00 C ATOM 0 H PHE A 29 -6.311 -6.772 1.621 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.250 -5.106 3.823 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.872 -6.468 3.105 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.604 -5.903 4.742 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.695 -4.522 1.351 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.665 -3.848 5.109 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -7.245 -2.215 0.649 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.222 -1.540 4.399 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.489 -0.714 2.178 1.00 0.00 H new ATOM 463 N SER A 30 -5.076 -8.279 3.854 1.00 0.00 N ATOM 464 CA SER A 30 -4.652 -9.457 4.657 1.00 0.00 C ATOM 465 C SER A 30 -3.300 -9.169 5.303 1.00 0.00 C ATOM 466 O SER A 30 -2.845 -9.894 6.167 1.00 0.00 O ATOM 467 CB SER A 30 -4.537 -10.673 3.740 1.00 0.00 C ATOM 468 OG SER A 30 -5.681 -10.730 2.898 1.00 0.00 O ATOM 0 H SER A 30 -5.105 -8.430 2.846 1.00 0.00 H new ATOM 0 HA SER A 30 -5.387 -9.658 5.436 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.630 -10.606 3.139 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.460 -11.585 4.332 1.00 0.00 H new ATOM 0 HG SER A 30 -5.613 -11.508 2.305 1.00 0.00 H new ATOM 474 N GLU A 31 -2.646 -8.115 4.888 1.00 0.00 N ATOM 475 CA GLU A 31 -1.312 -7.767 5.474 1.00 0.00 C ATOM 476 C GLU A 31 -1.447 -6.525 6.358 1.00 0.00 C ATOM 477 O GLU A 31 -0.648 -6.290 7.247 1.00 0.00 O ATOM 478 CB GLU A 31 -0.339 -7.467 4.334 1.00 0.00 C ATOM 479 CG GLU A 31 1.060 -7.228 4.892 1.00 0.00 C ATOM 480 CD GLU A 31 1.584 -8.523 5.521 1.00 0.00 C ATOM 481 OE1 GLU A 31 1.077 -9.574 5.163 1.00 0.00 O ATOM 482 OE2 GLU A 31 2.470 -8.443 6.354 1.00 0.00 O ATOM 0 H GLU A 31 -2.978 -7.476 4.165 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.945 -8.599 6.074 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.322 -8.300 3.631 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.674 -6.590 3.781 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.730 -6.900 4.097 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.036 -6.433 5.637 1.00 0.00 H new ATOM 489 N LEU A 32 -2.444 -5.723 6.128 1.00 0.00 N ATOM 490 CA LEU A 32 -2.605 -4.496 6.959 1.00 0.00 C ATOM 491 C LEU A 32 -2.713 -4.879 8.438 1.00 0.00 C ATOM 492 O LEU A 32 -3.507 -5.713 8.831 1.00 0.00 O ATOM 493 CB LEU A 32 -3.865 -3.738 6.523 1.00 0.00 C ATOM 494 CG LEU A 32 -3.654 -3.128 5.124 1.00 0.00 C ATOM 495 CD1 LEU A 32 -4.967 -2.498 4.633 1.00 0.00 C ATOM 496 CD2 LEU A 32 -2.542 -2.054 5.164 1.00 0.00 C ATOM 0 H LEU A 32 -3.152 -5.860 5.406 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.735 -3.854 6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.720 -4.414 6.509 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.093 -2.951 7.242 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.350 -3.919 4.438 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.816 -2.067 3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.741 -3.264 4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.277 -1.716 5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.406 -1.634 4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.826 -1.262 5.856 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.609 -2.509 5.496 1.00 0.00 H new ATOM 508 N LEU A 33 -1.909 -4.262 9.258 1.00 0.00 N ATOM 509 CA LEU A 33 -1.940 -4.564 10.716 1.00 0.00 C ATOM 510 C LEU A 33 -3.307 -4.169 11.276 1.00 0.00 C ATOM 511 O LEU A 33 -3.884 -4.862 12.091 1.00 0.00 O ATOM 512 CB LEU A 33 -0.845 -3.753 11.419 1.00 0.00 C ATOM 513 CG LEU A 33 0.500 -3.968 10.711 1.00 0.00 C ATOM 514 CD1 LEU A 33 1.581 -3.130 11.403 1.00 0.00 C ATOM 515 CD2 LEU A 33 0.890 -5.452 10.764 1.00 0.00 C ATOM 0 H LEU A 33 -1.227 -3.557 8.979 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.769 -5.628 10.882 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.104 -2.694 11.413 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.769 -4.057 12.463 1.00 0.00 H new ATOM 0 HG LEU A 33 0.409 -3.660 9.669 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.536 -3.282 10.901 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.310 -2.075 11.355 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.666 -3.436 12.446 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.845 -5.595 10.259 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.978 -5.768 11.803 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.124 -6.047 10.267 1.00 0.00 H new ATOM 527 N ASP A 34 -3.830 -3.053 10.837 1.00 0.00 N ATOM 528 CA ASP A 34 -5.164 -2.589 11.327 1.00 0.00 C ATOM 529 C ASP A 34 -6.037 -2.186 10.134 1.00 0.00 C ATOM 530 O ASP A 34 -5.634 -1.436 9.268 1.00 0.00 O ATOM 531 CB ASP A 34 -4.983 -1.396 12.265 1.00 0.00 C ATOM 532 CG ASP A 34 -6.352 -0.934 12.768 1.00 0.00 C ATOM 533 OD1 ASP A 34 -7.344 -1.458 12.288 1.00 0.00 O ATOM 534 OD2 ASP A 34 -6.386 -0.063 13.621 1.00 0.00 O ATOM 0 H ASP A 34 -3.387 -2.438 10.155 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.651 -3.398 11.871 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.349 -1.674 13.107 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.481 -0.581 11.743 1.00 0.00 H new ATOM 539 N LYS A 35 -7.232 -2.697 10.089 1.00 0.00 N ATOM 540 CA LYS A 35 -8.167 -2.376 8.970 1.00 0.00 C ATOM 541 C LYS A 35 -8.500 -0.880 9.002 1.00 0.00 C ATOM 542 O LYS A 35 -8.662 -0.238 7.983 1.00 0.00 O ATOM 543 CB LYS A 35 -9.452 -3.184 9.169 1.00 0.00 C ATOM 544 CG LYS A 35 -9.144 -4.690 9.241 1.00 0.00 C ATOM 545 CD LYS A 35 -8.831 -5.243 7.845 1.00 0.00 C ATOM 546 CE LYS A 35 -8.594 -6.750 7.936 1.00 0.00 C ATOM 547 NZ LYS A 35 -8.317 -7.282 6.572 1.00 0.00 N ATOM 0 H LYS A 35 -7.610 -3.334 10.790 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.709 -2.624 8.012 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.949 -2.866 10.085 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.141 -2.988 8.348 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.297 -4.862 9.905 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.996 -5.221 9.666 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.657 -5.034 7.166 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.950 -4.749 7.436 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.755 -6.960 8.599 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.468 -7.243 8.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.505 -8.305 6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.931 -6.805 5.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.321 -7.108 6.327 1.00 0.00 H new ATOM 561 N LYS A 36 -8.613 -0.331 10.175 1.00 0.00 N ATOM 562 CA LYS A 36 -8.942 1.120 10.314 1.00 0.00 C ATOM 563 C LYS A 36 -7.832 1.976 9.691 1.00 0.00 C ATOM 564 O LYS A 36 -8.079 3.019 9.116 1.00 0.00 O ATOM 565 CB LYS A 36 -9.052 1.459 11.801 1.00 0.00 C ATOM 566 CG LYS A 36 -10.277 0.769 12.401 1.00 0.00 C ATOM 567 CD LYS A 36 -10.367 1.094 13.895 1.00 0.00 C ATOM 568 CE LYS A 36 -11.638 0.472 14.480 1.00 0.00 C ATOM 569 NZ LYS A 36 -11.439 -0.996 14.651 1.00 0.00 N ATOM 0 H LYS A 36 -8.491 -0.828 11.057 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.883 1.326 9.803 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.151 1.139 12.324 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.131 2.538 11.932 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.181 1.101 11.891 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.207 -0.309 12.256 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.489 0.710 14.415 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.377 2.174 14.043 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.873 0.932 15.440 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.485 0.661 13.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.253 -1.400 15.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.353 -1.446 13.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.572 -1.167 15.199 1.00 0.00 H new ATOM 583 N ASP A 37 -6.608 1.547 9.814 1.00 0.00 N ATOM 584 CA ASP A 37 -5.473 2.334 9.243 1.00 0.00 C ATOM 585 C ASP A 37 -5.631 2.452 7.722 1.00 0.00 C ATOM 586 O ASP A 37 -4.880 3.140 7.058 1.00 0.00 O ATOM 587 CB ASP A 37 -4.151 1.627 9.562 1.00 0.00 C ATOM 588 CG ASP A 37 -3.800 1.810 11.041 1.00 0.00 C ATOM 589 OD1 ASP A 37 -4.434 2.631 11.683 1.00 0.00 O ATOM 590 OD2 ASP A 37 -2.902 1.128 11.504 1.00 0.00 O ATOM 0 H ASP A 37 -6.341 0.683 10.286 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.473 3.331 9.683 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.232 0.565 9.328 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.354 2.031 8.938 1.00 0.00 H new ATOM 595 N GLU A 38 -6.597 1.784 7.163 1.00 0.00 N ATOM 596 CA GLU A 38 -6.806 1.855 5.684 1.00 0.00 C ATOM 597 C GLU A 38 -7.165 3.291 5.283 1.00 0.00 C ATOM 598 O GLU A 38 -6.783 3.778 4.235 1.00 0.00 O ATOM 599 CB GLU A 38 -7.958 0.914 5.297 1.00 0.00 C ATOM 600 CG GLU A 38 -9.290 1.478 5.813 1.00 0.00 C ATOM 601 CD GLU A 38 -10.390 0.428 5.654 1.00 0.00 C ATOM 602 OE1 GLU A 38 -10.872 0.268 4.548 1.00 0.00 O ATOM 603 OE2 GLU A 38 -10.733 -0.198 6.645 1.00 0.00 O ATOM 0 H GLU A 38 -7.256 1.188 7.664 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.893 1.556 5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.997 0.799 4.214 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.786 -0.077 5.717 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.194 1.762 6.861 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.552 2.380 5.261 1.00 0.00 H new ATOM 610 N GLY A 39 -7.913 3.963 6.110 1.00 0.00 N ATOM 611 CA GLY A 39 -8.321 5.362 5.785 1.00 0.00 C ATOM 612 C GLY A 39 -7.137 6.309 5.992 1.00 0.00 C ATOM 613 O GLY A 39 -7.195 7.477 5.660 1.00 0.00 O ATOM 0 H GLY A 39 -8.262 3.606 7.000 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.668 5.419 4.753 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.155 5.664 6.419 1.00 0.00 H new ATOM 617 N LYS A 40 -6.060 5.814 6.530 1.00 0.00 N ATOM 618 CA LYS A 40 -4.862 6.679 6.751 1.00 0.00 C ATOM 619 C LYS A 40 -3.904 6.504 5.568 1.00 0.00 C ATOM 620 O LYS A 40 -2.848 7.106 5.502 1.00 0.00 O ATOM 621 CB LYS A 40 -4.171 6.259 8.053 1.00 0.00 C ATOM 622 CG LYS A 40 -5.101 6.547 9.236 1.00 0.00 C ATOM 623 CD LYS A 40 -4.435 6.109 10.542 1.00 0.00 C ATOM 624 CE LYS A 40 -5.414 6.305 11.703 1.00 0.00 C ATOM 625 NZ LYS A 40 -5.652 7.762 11.914 1.00 0.00 N ATOM 0 H LYS A 40 -5.954 4.844 6.829 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.159 7.725 6.827 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.923 5.198 8.021 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.233 6.802 8.172 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.334 7.611 9.276 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.045 6.019 9.104 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.135 5.063 10.477 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.529 6.690 10.714 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.355 5.800 11.488 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.012 5.856 12.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.102 7.910 12.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.745 8.270 11.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.276 8.124 11.165 1.00 0.00 H new ATOM 639 N LEU A 41 -4.277 5.680 4.627 1.00 0.00 N ATOM 640 CA LEU A 41 -3.409 5.447 3.434 1.00 0.00 C ATOM 641 C LEU A 41 -3.379 6.699 2.565 1.00 0.00 C ATOM 642 O LEU A 41 -4.252 7.540 2.636 1.00 0.00 O ATOM 643 CB LEU A 41 -3.966 4.283 2.613 1.00 0.00 C ATOM 644 CG LEU A 41 -3.812 2.969 3.392 1.00 0.00 C ATOM 645 CD1 LEU A 41 -4.638 1.880 2.704 1.00 0.00 C ATOM 646 CD2 LEU A 41 -2.332 2.540 3.444 1.00 0.00 C ATOM 0 H LEU A 41 -5.151 5.154 4.632 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.399 5.211 3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.017 4.459 2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.440 4.214 1.661 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.165 3.117 4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.534 0.943 3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.687 2.175 2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.283 1.744 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.243 1.607 4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.959 2.395 2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.746 3.314 3.939 1.00 0.00 H new ATOM 658 N VAL A 42 -2.366 6.826 1.743 1.00 0.00 N ATOM 659 CA VAL A 42 -2.248 8.023 0.857 1.00 0.00 C ATOM 660 C VAL A 42 -2.167 7.579 -0.602 1.00 0.00 C ATOM 661 O VAL A 42 -1.504 6.620 -0.942 1.00 0.00 O ATOM 662 CB VAL A 42 -0.988 8.807 1.225 1.00 0.00 C ATOM 663 CG1 VAL A 42 0.253 7.922 1.064 1.00 0.00 C ATOM 664 CG2 VAL A 42 -0.874 10.028 0.311 1.00 0.00 C ATOM 0 H VAL A 42 -1.611 6.146 1.648 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.124 8.658 0.990 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.054 9.129 2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.143 8.492 1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.169 7.055 1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.330 7.589 0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.023 10.592 0.568 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.812 9.701 -0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.751 10.662 0.440 1.00 0.00 H new ATOM 674 N LYS A 43 -2.856 8.281 -1.467 1.00 0.00 N ATOM 675 CA LYS A 43 -2.846 7.931 -2.921 1.00 0.00 C ATOM 676 C LYS A 43 -2.026 8.959 -3.704 1.00 0.00 C ATOM 677 O LYS A 43 -2.218 10.154 -3.581 1.00 0.00 O ATOM 678 CB LYS A 43 -4.277 7.910 -3.447 1.00 0.00 C ATOM 679 CG LYS A 43 -4.267 7.495 -4.920 1.00 0.00 C ATOM 680 CD LYS A 43 -5.703 7.350 -5.428 1.00 0.00 C ATOM 681 CE LYS A 43 -5.680 6.910 -6.892 1.00 0.00 C ATOM 682 NZ LYS A 43 -5.140 8.013 -7.735 1.00 0.00 N ATOM 0 H LYS A 43 -3.430 9.089 -1.226 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.394 6.947 -3.049 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.881 7.214 -2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.732 8.895 -3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.735 8.239 -5.513 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.733 6.552 -5.038 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.242 6.619 -4.825 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.233 8.297 -5.329 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.065 6.017 -7.005 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.686 6.647 -7.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.385 7.841 -8.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.552 8.918 -7.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.106 8.052 -7.635 1.00 0.00 H new ATOM 696 N GLY A 44 -1.117 8.495 -4.517 1.00 0.00 N ATOM 697 CA GLY A 44 -0.276 9.427 -5.324 1.00 0.00 C ATOM 698 C GLY A 44 0.912 9.916 -4.493 1.00 0.00 C ATOM 699 O GLY A 44 1.453 10.978 -4.735 1.00 0.00 O ATOM 0 H GLY A 44 -0.919 7.504 -4.658 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.081 8.922 -6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.874 10.277 -5.653 1.00 0.00 H new ATOM 703 N SER A 45 1.325 9.157 -3.510 1.00 0.00 N ATOM 704 CA SER A 45 2.483 9.594 -2.666 1.00 0.00 C ATOM 705 C SER A 45 3.386 8.398 -2.337 1.00 0.00 C ATOM 706 O SER A 45 3.086 7.258 -2.652 1.00 0.00 O ATOM 707 CB SER A 45 1.971 10.210 -1.367 1.00 0.00 C ATOM 708 OG SER A 45 0.916 11.117 -1.665 1.00 0.00 O ATOM 0 H SER A 45 0.915 8.259 -3.255 1.00 0.00 H new ATOM 0 HA SER A 45 3.059 10.333 -3.222 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.616 9.429 -0.695 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.780 10.730 -0.853 1.00 0.00 H new ATOM 0 HG SER A 45 0.901 11.832 -0.995 1.00 0.00 H new ATOM 714 N MET A 46 4.506 8.669 -1.719 1.00 0.00 N ATOM 715 CA MET A 46 5.469 7.583 -1.370 1.00 0.00 C ATOM 716 C MET A 46 5.010 6.816 -0.129 1.00 0.00 C ATOM 717 O MET A 46 4.448 7.369 0.796 1.00 0.00 O ATOM 718 CB MET A 46 6.837 8.202 -1.103 1.00 0.00 C ATOM 719 CG MET A 46 7.396 8.768 -2.407 1.00 0.00 C ATOM 720 SD MET A 46 9.070 9.399 -2.122 1.00 0.00 S ATOM 721 CE MET A 46 8.624 10.823 -1.096 1.00 0.00 C ATOM 0 H MET A 46 4.797 9.606 -1.439 1.00 0.00 H new ATOM 0 HA MET A 46 5.522 6.883 -2.204 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.752 8.992 -0.357 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.516 7.452 -0.698 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.413 7.994 -3.174 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.752 9.567 -2.775 1.00 0.00 H new ATOM 0 HE1 MET A 46 9.410 11.575 -1.156 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.686 11.249 -1.453 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.507 10.503 -0.061 1.00 0.00 H new ATOM 731 N VAL A 47 5.263 5.531 -0.108 1.00 0.00 N ATOM 732 CA VAL A 47 4.869 4.687 1.062 1.00 0.00 C ATOM 733 C VAL A 47 6.037 3.773 1.432 1.00 0.00 C ATOM 734 O VAL A 47 6.971 3.608 0.671 1.00 0.00 O ATOM 735 CB VAL A 47 3.648 3.842 0.702 1.00 0.00 C ATOM 736 CG1 VAL A 47 2.472 4.766 0.393 1.00 0.00 C ATOM 737 CG2 VAL A 47 3.956 2.980 -0.524 1.00 0.00 C ATOM 0 H VAL A 47 5.731 5.025 -0.860 1.00 0.00 H new ATOM 0 HA VAL A 47 4.620 5.327 1.908 1.00 0.00 H new ATOM 0 HB VAL A 47 3.396 3.193 1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.598 4.168 0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.249 5.376 1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.729 5.414 -0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.082 2.380 -0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.209 3.623 -1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.797 2.322 -0.304 1.00 0.00 H new ATOM 747 N HIS A 48 5.996 3.184 2.603 1.00 0.00 N ATOM 748 CA HIS A 48 7.108 2.280 3.046 1.00 0.00 C ATOM 749 C HIS A 48 6.588 0.854 3.233 1.00 0.00 C ATOM 750 O HIS A 48 5.598 0.618 3.897 1.00 0.00 O ATOM 751 CB HIS A 48 7.666 2.792 4.372 1.00 0.00 C ATOM 752 CG HIS A 48 8.803 1.913 4.813 1.00 0.00 C ATOM 753 ND1 HIS A 48 9.979 1.806 4.091 1.00 0.00 N ATOM 754 CD2 HIS A 48 8.956 1.094 5.904 1.00 0.00 C ATOM 755 CE1 HIS A 48 10.783 0.950 4.749 1.00 0.00 C ATOM 756 NE2 HIS A 48 10.207 0.486 5.862 1.00 0.00 N ATOM 0 H HIS A 48 5.237 3.290 3.276 1.00 0.00 H new ATOM 0 HA HIS A 48 7.890 2.274 2.287 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.010 3.820 4.261 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.883 2.798 5.130 1.00 0.00 H new ATOM 0 HD2 HIS A 48 8.217 0.944 6.678 1.00 0.00 H new ATOM 0 HE1 HIS A 48 11.773 0.672 4.418 1.00 0.00 H new ATOM 0 HE2 HIS A 48 10.600 -0.172 6.535 1.00 0.00 H new ATOM 764 N PHE A 49 7.260 -0.102 2.647 1.00 0.00 N ATOM 765 CA PHE A 49 6.821 -1.522 2.782 1.00 0.00 C ATOM 766 C PHE A 49 8.042 -2.436 2.739 1.00 0.00 C ATOM 767 O PHE A 49 9.113 -2.046 2.315 1.00 0.00 O ATOM 768 CB PHE A 49 5.874 -1.890 1.637 1.00 0.00 C ATOM 769 CG PHE A 49 6.591 -1.788 0.312 1.00 0.00 C ATOM 770 CD1 PHE A 49 7.308 -2.886 -0.183 1.00 0.00 C ATOM 771 CD2 PHE A 49 6.528 -0.603 -0.431 1.00 0.00 C ATOM 772 CE1 PHE A 49 7.962 -2.796 -1.419 1.00 0.00 C ATOM 773 CE2 PHE A 49 7.184 -0.514 -1.666 1.00 0.00 C ATOM 774 CZ PHE A 49 7.899 -1.610 -2.160 1.00 0.00 C ATOM 0 H PHE A 49 8.096 0.040 2.080 1.00 0.00 H new ATOM 0 HA PHE A 49 6.300 -1.645 3.731 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.498 -2.903 1.778 1.00 0.00 H new ATOM 0 HB3 PHE A 49 5.010 -1.226 1.643 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.356 -3.801 0.388 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.974 0.243 -0.052 1.00 0.00 H new ATOM 0 HE1 PHE A 49 8.515 -3.642 -1.800 1.00 0.00 H new ATOM 0 HE2 PHE A 49 7.138 0.402 -2.237 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.402 -1.541 -3.113 1.00 0.00 H new ATOM 784 N ASP A 50 7.887 -3.659 3.177 1.00 0.00 N ATOM 785 CA ASP A 50 9.033 -4.619 3.168 1.00 0.00 C ATOM 786 C ASP A 50 8.851 -5.626 2.014 1.00 0.00 C ATOM 787 O ASP A 50 7.965 -6.453 2.057 1.00 0.00 O ATOM 788 CB ASP A 50 9.058 -5.386 4.479 1.00 0.00 C ATOM 789 CG ASP A 50 8.942 -4.400 5.643 1.00 0.00 C ATOM 790 OD1 ASP A 50 9.802 -3.540 5.749 1.00 0.00 O ATOM 791 OD2 ASP A 50 7.997 -4.517 6.404 1.00 0.00 O ATOM 0 H ASP A 50 7.012 -4.036 3.542 1.00 0.00 H new ATOM 0 HA ASP A 50 9.963 -4.066 3.038 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.237 -6.102 4.511 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.983 -5.957 4.562 1.00 0.00 H new ATOM 796 N PRO A 51 9.677 -5.573 0.996 1.00 0.00 N ATOM 797 CA PRO A 51 9.578 -6.512 -0.163 1.00 0.00 C ATOM 798 C PRO A 51 9.473 -7.972 0.272 1.00 0.00 C ATOM 799 O PRO A 51 10.156 -8.422 1.172 1.00 0.00 O ATOM 800 CB PRO A 51 10.886 -6.274 -0.934 1.00 0.00 C ATOM 801 CG PRO A 51 11.282 -4.876 -0.590 1.00 0.00 C ATOM 802 CD PRO A 51 10.778 -4.618 0.824 1.00 0.00 C ATOM 0 HA PRO A 51 8.680 -6.329 -0.754 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.655 -6.987 -0.638 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.739 -6.391 -2.008 1.00 0.00 H new ATOM 0 HG2 PRO A 51 12.364 -4.755 -0.644 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.846 -4.166 -1.293 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.564 -4.779 1.562 1.00 0.00 H new ATOM 0 HD3 PRO A 51 10.435 -3.590 0.943 1.00 0.00 H new ATOM 810 N THR A 52 8.621 -8.723 -0.366 1.00 0.00 N ATOM 811 CA THR A 52 8.479 -10.157 0.007 1.00 0.00 C ATOM 812 C THR A 52 8.000 -10.961 -1.218 1.00 0.00 C ATOM 813 O THR A 52 7.070 -10.563 -1.886 1.00 0.00 O ATOM 814 CB THR A 52 7.454 -10.282 1.131 1.00 0.00 C ATOM 815 OG1 THR A 52 7.841 -9.440 2.205 1.00 0.00 O ATOM 816 CG2 THR A 52 7.394 -11.729 1.620 1.00 0.00 C ATOM 0 H THR A 52 8.019 -8.408 -1.127 1.00 0.00 H new ATOM 0 HA THR A 52 9.440 -10.547 0.342 1.00 0.00 H new ATOM 0 HB THR A 52 6.472 -9.988 0.761 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.825 -9.949 3.042 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.661 -11.812 2.422 1.00 0.00 H new ATOM 0 HG22 THR A 52 7.105 -12.380 0.795 1.00 0.00 H new ATOM 0 HG23 THR A 52 8.374 -12.028 1.992 1.00 0.00 H new ATOM 824 N PRO A 53 8.614 -12.087 -1.510 1.00 0.00 N ATOM 825 CA PRO A 53 8.218 -12.940 -2.671 1.00 0.00 C ATOM 826 C PRO A 53 6.907 -13.698 -2.430 1.00 0.00 C ATOM 827 O PRO A 53 6.433 -13.822 -1.318 1.00 0.00 O ATOM 828 CB PRO A 53 9.393 -13.918 -2.824 1.00 0.00 C ATOM 829 CG PRO A 53 9.987 -14.025 -1.457 1.00 0.00 C ATOM 830 CD PRO A 53 9.755 -12.674 -0.779 1.00 0.00 C ATOM 0 HA PRO A 53 8.031 -12.342 -3.563 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.054 -14.889 -3.184 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.123 -13.548 -3.544 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.517 -14.829 -0.891 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.051 -14.254 -1.513 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.528 -12.795 0.280 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.639 -12.039 -0.846 1.00 0.00 H new ATOM 838 N THR A 54 6.330 -14.217 -3.471 1.00 0.00 N ATOM 839 CA THR A 54 5.069 -14.982 -3.302 1.00 0.00 C ATOM 840 C THR A 54 4.708 -15.641 -4.644 1.00 0.00 C ATOM 841 O THR A 54 4.998 -15.098 -5.687 1.00 0.00 O ATOM 842 CB THR A 54 3.930 -14.039 -2.881 1.00 0.00 C ATOM 843 OG1 THR A 54 2.680 -14.686 -3.078 1.00 0.00 O ATOM 844 CG2 THR A 54 3.968 -12.753 -3.715 1.00 0.00 C ATOM 0 H THR A 54 6.674 -14.146 -4.428 1.00 0.00 H new ATOM 0 HA THR A 54 5.206 -15.740 -2.531 1.00 0.00 H new ATOM 0 HB THR A 54 4.055 -13.786 -1.828 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.954 -14.085 -2.808 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.156 -12.095 -3.406 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.922 -12.248 -3.562 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.853 -13.000 -4.770 1.00 0.00 H new ATOM 852 N PRO A 55 4.052 -16.779 -4.626 1.00 0.00 N ATOM 853 CA PRO A 55 3.630 -17.486 -5.878 1.00 0.00 C ATOM 854 C PRO A 55 2.953 -16.525 -6.872 1.00 0.00 C ATOM 855 O PRO A 55 3.044 -16.687 -8.073 1.00 0.00 O ATOM 856 CB PRO A 55 2.614 -18.519 -5.371 1.00 0.00 C ATOM 857 CG PRO A 55 3.028 -18.818 -3.966 1.00 0.00 C ATOM 858 CD PRO A 55 3.668 -17.540 -3.420 1.00 0.00 C ATOM 0 HA PRO A 55 4.474 -17.921 -6.413 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.599 -18.124 -5.407 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.627 -19.419 -5.986 1.00 0.00 H new ATOM 0 HG2 PRO A 55 2.169 -19.110 -3.362 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.734 -19.648 -3.938 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.968 -16.978 -2.801 1.00 0.00 H new ATOM 0 HD3 PRO A 55 4.535 -17.764 -2.798 1.00 0.00 H new ATOM 866 N LYS A 56 2.274 -15.532 -6.371 1.00 0.00 N ATOM 867 CA LYS A 56 1.589 -14.561 -7.275 1.00 0.00 C ATOM 868 C LYS A 56 2.620 -13.580 -7.838 1.00 0.00 C ATOM 869 O LYS A 56 2.294 -12.670 -8.578 1.00 0.00 O ATOM 870 CB LYS A 56 0.526 -13.800 -6.480 1.00 0.00 C ATOM 871 CG LYS A 56 -0.574 -14.771 -6.044 1.00 0.00 C ATOM 872 CD LYS A 56 -1.632 -14.019 -5.234 1.00 0.00 C ATOM 873 CE LYS A 56 -2.683 -15.008 -4.722 1.00 0.00 C ATOM 874 NZ LYS A 56 -3.439 -15.570 -5.875 1.00 0.00 N ATOM 0 H LYS A 56 2.162 -15.349 -5.374 1.00 0.00 H new ATOM 0 HA LYS A 56 1.113 -15.092 -8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.977 -13.328 -5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.102 -13.002 -7.090 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.032 -15.234 -6.918 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.147 -15.575 -5.445 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.164 -13.503 -4.396 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.106 -13.257 -5.853 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.201 -15.810 -4.163 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.365 -14.507 -4.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.312 -16.020 -5.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.681 -14.806 -6.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.853 -16.278 -6.362 1.00 0.00 H new ATOM 888 N GLY A 57 3.870 -13.772 -7.500 1.00 0.00 N ATOM 889 CA GLY A 57 4.961 -12.879 -8.013 1.00 0.00 C ATOM 890 C GLY A 57 5.616 -12.118 -6.857 1.00 0.00 C ATOM 891 O GLY A 57 6.597 -12.560 -6.294 1.00 0.00 O ATOM 0 H GLY A 57 4.188 -14.519 -6.882 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.710 -13.473 -8.536 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.552 -12.173 -8.736 1.00 0.00 H new ATOM 895 N LEU A 58 5.087 -10.972 -6.506 1.00 0.00 N ATOM 896 CA LEU A 58 5.683 -10.157 -5.396 1.00 0.00 C ATOM 897 C LEU A 58 4.591 -9.757 -4.412 1.00 0.00 C ATOM 898 O LEU A 58 3.440 -9.596 -4.768 1.00 0.00 O ATOM 899 CB LEU A 58 6.323 -8.901 -5.979 1.00 0.00 C ATOM 900 CG LEU A 58 7.443 -9.290 -6.954 1.00 0.00 C ATOM 901 CD1 LEU A 58 7.989 -8.026 -7.627 1.00 0.00 C ATOM 902 CD2 LEU A 58 8.584 -10.000 -6.200 1.00 0.00 C ATOM 0 H LEU A 58 4.262 -10.561 -6.943 1.00 0.00 H new ATOM 0 HA LEU A 58 6.439 -10.748 -4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.570 -8.305 -6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.726 -8.282 -5.177 1.00 0.00 H new ATOM 0 HG LEU A 58 7.040 -9.968 -7.706 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.785 -8.298 -8.320 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.187 -7.529 -8.172 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.384 -7.351 -6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.372 -10.270 -6.903 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.989 -9.332 -5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.199 -10.901 -5.722 1.00 0.00 H new ATOM 914 N ALA A 59 4.940 -9.612 -3.147 1.00 0.00 N ATOM 915 CA ALA A 59 3.908 -9.238 -2.115 1.00 0.00 C ATOM 916 C ALA A 59 4.470 -8.181 -1.164 1.00 0.00 C ATOM 917 O ALA A 59 5.645 -8.173 -0.837 1.00 0.00 O ATOM 918 CB ALA A 59 3.527 -10.481 -1.315 1.00 0.00 C ATOM 0 H ALA A 59 5.887 -9.735 -2.788 1.00 0.00 H new ATOM 0 HA ALA A 59 3.031 -8.832 -2.619 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.780 -10.217 -0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.116 -11.235 -1.987 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.412 -10.880 -0.820 1.00 0.00 H new ATOM 924 N ALA A 60 3.623 -7.278 -0.724 1.00 0.00 N ATOM 925 CA ALA A 60 4.093 -6.193 0.206 1.00 0.00 C ATOM 926 C ALA A 60 3.655 -6.471 1.654 1.00 0.00 C ATOM 927 O ALA A 60 2.547 -6.297 2.084 1.00 0.00 O ATOM 928 CB ALA A 60 3.639 -4.824 -0.334 1.00 0.00 C ATOM 0 H ALA A 60 2.633 -7.243 -0.965 1.00 0.00 H new ATOM 0 HA ALA A 60 5.182 -6.177 0.240 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.979 -4.037 0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.065 -4.664 -1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.551 -4.801 -0.399 1.00 0.00 H new ATOM 934 N LYS A 61 4.617 -6.998 2.351 1.00 0.00 N ATOM 935 CA LYS A 61 4.534 -7.452 3.760 1.00 0.00 C ATOM 936 C LYS A 61 4.703 -6.298 4.782 1.00 0.00 C ATOM 937 O LYS A 61 5.491 -5.398 4.578 1.00 0.00 O ATOM 938 CB LYS A 61 5.756 -8.352 3.846 1.00 0.00 C ATOM 939 CG LYS A 61 5.910 -9.068 5.188 1.00 0.00 C ATOM 940 CD LYS A 61 5.100 -10.360 5.185 1.00 0.00 C ATOM 941 CE LYS A 61 5.334 -11.111 6.499 1.00 0.00 C ATOM 942 NZ LYS A 61 4.508 -12.349 6.503 1.00 0.00 N ATOM 0 H LYS A 61 5.545 -7.143 1.954 1.00 0.00 H new ATOM 0 HA LYS A 61 3.571 -7.907 3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.702 -9.097 3.053 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.648 -7.754 3.661 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.961 -9.288 5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.573 -8.419 5.997 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.040 -10.137 5.065 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.392 -10.983 4.340 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.389 -11.362 6.606 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.069 -10.479 7.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.661 -12.866 7.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.503 -12.096 6.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.782 -12.952 5.701 1.00 0.00 H new ATOM 956 N ALA A 62 3.983 -6.338 5.888 1.00 0.00 N ATOM 957 CA ALA A 62 4.120 -5.262 6.933 1.00 0.00 C ATOM 958 C ALA A 62 4.206 -3.894 6.265 1.00 0.00 C ATOM 959 O ALA A 62 5.213 -3.216 6.299 1.00 0.00 O ATOM 960 CB ALA A 62 5.370 -5.512 7.806 1.00 0.00 C ATOM 0 H ALA A 62 3.307 -7.069 6.111 1.00 0.00 H new ATOM 0 HA ALA A 62 3.241 -5.286 7.577 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.454 -4.725 8.556 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.280 -6.478 8.303 1.00 0.00 H new ATOM 0 HB3 ALA A 62 6.260 -5.509 7.177 1.00 0.00 H new ATOM 966 N ILE A 63 3.133 -3.487 5.646 1.00 0.00 N ATOM 967 CA ILE A 63 3.114 -2.168 4.956 1.00 0.00 C ATOM 968 C ILE A 63 3.014 -1.059 5.998 1.00 0.00 C ATOM 969 O ILE A 63 2.279 -1.161 6.960 1.00 0.00 O ATOM 970 CB ILE A 63 1.913 -2.099 4.013 1.00 0.00 C ATOM 971 CG1 ILE A 63 2.077 -3.156 2.919 1.00 0.00 C ATOM 972 CG2 ILE A 63 1.851 -0.709 3.378 1.00 0.00 C ATOM 973 CD1 ILE A 63 0.771 -3.301 2.134 1.00 0.00 C ATOM 0 H ILE A 63 2.263 -4.016 5.588 1.00 0.00 H new ATOM 0 HA ILE A 63 4.029 -2.044 4.378 1.00 0.00 H new ATOM 0 HB ILE A 63 0.993 -2.286 4.567 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.886 -2.873 2.246 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.352 -4.112 3.364 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.996 -0.655 2.704 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.746 0.044 4.159 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.767 -0.524 2.817 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.895 -4.055 1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.028 -3.605 2.810 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.514 -2.346 1.675 1.00 0.00 H new ATOM 985 N SER A 64 3.763 0.000 5.819 1.00 0.00 N ATOM 986 CA SER A 64 3.736 1.129 6.800 1.00 0.00 C ATOM 987 C SER A 64 3.387 2.437 6.086 1.00 0.00 C ATOM 988 O SER A 64 3.726 2.646 4.933 1.00 0.00 O ATOM 989 CB SER A 64 5.114 1.259 7.443 1.00 0.00 C ATOM 990 OG SER A 64 5.153 2.432 8.244 1.00 0.00 O ATOM 0 H SER A 64 4.396 0.132 5.030 1.00 0.00 H new ATOM 0 HA SER A 64 2.983 0.928 7.562 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.327 0.381 8.053 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.884 1.306 6.673 1.00 0.00 H new ATOM 0 HG SER A 64 6.037 2.516 8.659 1.00 0.00 H new ATOM 996 N LEU A 65 2.712 3.322 6.778 1.00 0.00 N ATOM 997 CA LEU A 65 2.324 4.639 6.186 1.00 0.00 C ATOM 998 C LEU A 65 2.850 5.757 7.101 1.00 0.00 C ATOM 999 O LEU A 65 2.117 6.308 7.897 1.00 0.00 O ATOM 1000 CB LEU A 65 0.786 4.735 6.064 1.00 0.00 C ATOM 1001 CG LEU A 65 0.083 4.064 7.267 1.00 0.00 C ATOM 1002 CD1 LEU A 65 -1.269 4.750 7.517 1.00 0.00 C ATOM 1003 CD2 LEU A 65 -0.167 2.572 6.974 1.00 0.00 C ATOM 0 H LEU A 65 2.409 3.185 7.742 1.00 0.00 H new ATOM 0 HA LEU A 65 2.754 4.739 5.189 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.489 5.782 6.004 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.462 4.258 5.139 1.00 0.00 H new ATOM 0 HG LEU A 65 0.723 4.160 8.144 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.765 4.278 8.365 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.107 5.806 7.734 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.895 4.654 6.630 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.662 2.111 7.829 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.800 2.476 6.092 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.785 2.072 6.794 1.00 0.00 H new ATOM 1015 N PRO A 66 4.121 6.076 6.995 1.00 0.00 N ATOM 1016 CA PRO A 66 4.760 7.139 7.828 1.00 0.00 C ATOM 1017 C PRO A 66 4.497 8.535 7.258 1.00 0.00 C ATOM 1018 O PRO A 66 4.739 9.538 7.901 1.00 0.00 O ATOM 1019 CB PRO A 66 6.251 6.788 7.743 1.00 0.00 C ATOM 1020 CG PRO A 66 6.415 6.167 6.389 1.00 0.00 C ATOM 1021 CD PRO A 66 5.088 5.468 6.061 1.00 0.00 C ATOM 0 HA PRO A 66 4.375 7.168 8.847 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.874 7.676 7.850 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.542 6.097 8.534 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.648 6.925 5.641 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.239 5.453 6.388 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.797 5.632 5.023 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.159 4.390 6.206 1.00 0.00 H new ATOM 1029 N LEU A 67 3.994 8.589 6.049 1.00 0.00 N ATOM 1030 CA LEU A 67 3.689 9.896 5.381 1.00 0.00 C ATOM 1031 C LEU A 67 4.696 10.978 5.793 1.00 0.00 C ATOM 1032 O LEU A 67 5.835 10.706 6.114 1.00 0.00 O ATOM 1033 CB LEU A 67 2.282 10.356 5.770 1.00 0.00 C ATOM 1034 CG LEU A 67 1.282 9.210 5.598 1.00 0.00 C ATOM 1035 CD1 LEU A 67 -0.139 9.753 5.768 1.00 0.00 C ATOM 1036 CD2 LEU A 67 1.430 8.591 4.203 1.00 0.00 C ATOM 0 H LEU A 67 3.777 7.767 5.485 1.00 0.00 H new ATOM 0 HA LEU A 67 3.755 9.747 4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.277 10.700 6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.985 11.203 5.151 1.00 0.00 H new ATOM 0 HG LEU A 67 1.477 8.444 6.349 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.856 8.941 5.646 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.246 10.186 6.762 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.328 10.519 5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.715 7.776 4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.238 9.351 3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.442 8.205 4.082 1.00 0.00 H new ATOM 1048 N GLU A 68 4.268 12.208 5.781 1.00 0.00 N ATOM 1049 CA GLU A 68 5.169 13.324 6.166 1.00 0.00 C ATOM 1050 C GLU A 68 4.312 14.562 6.440 1.00 0.00 C ATOM 1051 O GLU A 68 4.755 15.686 6.305 1.00 0.00 O ATOM 1052 CB GLU A 68 6.156 13.606 5.026 1.00 0.00 C ATOM 1053 CG GLU A 68 5.399 13.791 3.705 1.00 0.00 C ATOM 1054 CD GLU A 68 4.926 12.431 3.184 1.00 0.00 C ATOM 1055 OE1 GLU A 68 5.631 11.459 3.396 1.00 0.00 O ATOM 1056 OE2 GLU A 68 3.871 12.388 2.571 1.00 0.00 O ATOM 0 H GLU A 68 3.323 12.489 5.518 1.00 0.00 H new ATOM 0 HA GLU A 68 5.737 13.062 7.059 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.736 14.501 5.250 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.864 12.782 4.936 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.544 14.451 3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.045 14.268 2.968 1.00 0.00 H new ATOM 1063 N HIS A 69 3.078 14.359 6.818 1.00 0.00 N ATOM 1064 CA HIS A 69 2.180 15.518 7.102 1.00 0.00 C ATOM 1065 C HIS A 69 2.757 16.341 8.253 1.00 0.00 C ATOM 1066 O HIS A 69 2.843 17.553 8.192 1.00 0.00 O ATOM 1067 CB HIS A 69 0.790 14.998 7.492 1.00 0.00 C ATOM 1068 CG HIS A 69 0.909 14.038 8.648 1.00 0.00 C ATOM 1069 ND1 HIS A 69 1.124 14.468 9.951 1.00 0.00 N ATOM 1070 CD2 HIS A 69 0.832 12.667 8.717 1.00 0.00 C ATOM 1071 CE1 HIS A 69 1.168 13.375 10.737 1.00 0.00 C ATOM 1072 NE2 HIS A 69 0.996 12.252 10.035 1.00 0.00 N ATOM 0 H HIS A 69 2.652 13.441 6.943 1.00 0.00 H new ATOM 0 HA HIS A 69 2.101 16.145 6.214 1.00 0.00 H new ATOM 0 HB2 HIS A 69 0.143 15.832 7.765 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.326 14.500 6.641 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.669 12.011 7.875 1.00 0.00 H new ATOM 0 HE1 HIS A 69 1.324 13.403 11.805 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.987 11.295 10.389 1.00 0.00 H new ATOM 1080 N HIS A 70 3.161 15.690 9.304 1.00 0.00 N ATOM 1081 CA HIS A 70 3.743 16.425 10.463 1.00 0.00 C ATOM 1082 C HIS A 70 4.727 15.511 11.196 1.00 0.00 C ATOM 1083 O HIS A 70 4.521 14.319 11.313 1.00 0.00 O ATOM 1084 CB HIS A 70 2.625 16.856 11.417 1.00 0.00 C ATOM 1085 CG HIS A 70 1.714 17.820 10.704 1.00 0.00 C ATOM 1086 ND1 HIS A 70 2.143 19.073 10.294 1.00 0.00 N ATOM 1087 CD2 HIS A 70 0.401 17.729 10.320 1.00 0.00 C ATOM 1088 CE1 HIS A 70 1.103 19.680 9.692 1.00 0.00 C ATOM 1089 NE2 HIS A 70 0.015 18.903 9.681 1.00 0.00 N ATOM 0 H HIS A 70 3.114 14.677 9.413 1.00 0.00 H new ATOM 0 HA HIS A 70 4.266 17.312 10.107 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.062 15.986 11.754 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.048 17.325 12.305 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.238 16.874 10.488 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.143 20.673 9.270 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.900 19.123 9.289 1.00 0.00 H new ATOM 1097 N HIS A 71 5.797 16.063 11.694 1.00 0.00 N ATOM 1098 CA HIS A 71 6.803 15.241 12.428 1.00 0.00 C ATOM 1099 C HIS A 71 6.400 15.167 13.905 1.00 0.00 C ATOM 1100 O HIS A 71 7.101 14.614 14.732 1.00 0.00 O ATOM 1101 CB HIS A 71 8.176 15.906 12.293 1.00 0.00 C ATOM 1102 CG HIS A 71 8.117 17.307 12.841 1.00 0.00 C ATOM 1103 ND1 HIS A 71 8.328 17.587 14.182 1.00 0.00 N ATOM 1104 CD2 HIS A 71 7.877 18.520 12.239 1.00 0.00 C ATOM 1105 CE1 HIS A 71 8.210 18.918 14.343 1.00 0.00 C ATOM 1106 NE2 HIS A 71 7.936 19.535 13.190 1.00 0.00 N ATOM 0 H HIS A 71 6.021 17.056 11.624 1.00 0.00 H new ATOM 0 HA HIS A 71 6.847 14.233 12.015 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.926 15.326 12.831 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.479 15.927 11.246 1.00 0.00 H new ATOM 0 HD2 HIS A 71 7.674 18.663 11.188 1.00 0.00 H new ATOM 0 HE1 HIS A 71 8.323 19.426 15.289 1.00 0.00 H new ATOM 0 HE2 HIS A 71 7.799 20.534 13.039 1.00 0.00 H new ATOM 1114 N HIS A 72 5.274 15.730 14.241 1.00 0.00 N ATOM 1115 CA HIS A 72 4.818 15.712 15.662 1.00 0.00 C ATOM 1116 C HIS A 72 4.282 14.327 16.037 1.00 0.00 C ATOM 1117 O HIS A 72 3.712 13.621 15.228 1.00 0.00 O ATOM 1118 CB HIS A 72 3.716 16.755 15.852 1.00 0.00 C ATOM 1119 CG HIS A 72 4.306 18.135 15.727 1.00 0.00 C ATOM 1120 ND1 HIS A 72 4.440 18.776 14.505 1.00 0.00 N ATOM 1121 CD2 HIS A 72 4.807 19.006 16.664 1.00 0.00 C ATOM 1122 CE1 HIS A 72 5.001 19.978 14.737 1.00 0.00 C ATOM 1123 NE2 HIS A 72 5.245 20.168 16.035 1.00 0.00 N ATOM 0 H HIS A 72 4.646 16.204 13.592 1.00 0.00 H new ATOM 0 HA HIS A 72 5.665 15.945 16.307 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.934 16.613 15.107 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.250 16.634 16.830 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.854 18.818 17.726 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.226 20.700 13.966 1.00 0.00 H new ATOM 0 HE2 HIS A 72 5.663 20.989 16.473 1.00 0.00 H new ATOM 1131 N HIS A 73 4.472 13.939 17.270 1.00 0.00 N ATOM 1132 CA HIS A 73 3.993 12.601 17.727 1.00 0.00 C ATOM 1133 C HIS A 73 4.539 11.521 16.785 1.00 0.00 C ATOM 1134 O HIS A 73 4.150 10.372 16.836 1.00 0.00 O ATOM 1135 CB HIS A 73 2.462 12.566 17.730 1.00 0.00 C ATOM 1136 CG HIS A 73 2.000 11.297 18.390 1.00 0.00 C ATOM 1137 ND1 HIS A 73 1.829 10.117 17.685 1.00 0.00 N ATOM 1138 CD2 HIS A 73 1.678 11.005 19.693 1.00 0.00 C ATOM 1139 CE1 HIS A 73 1.422 9.179 18.558 1.00 0.00 C ATOM 1140 NE2 HIS A 73 1.314 9.667 19.797 1.00 0.00 N ATOM 0 H HIS A 73 4.941 14.495 17.985 1.00 0.00 H new ATOM 0 HA HIS A 73 4.349 12.414 18.740 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.067 13.432 18.262 1.00 0.00 H new ATOM 0 HB3 HIS A 73 2.083 12.619 16.709 1.00 0.00 H new ATOM 0 HD1 HIS A 73 1.984 9.984 16.686 1.00 0.00 H new ATOM 0 HD2 HIS A 73 1.704 11.708 20.512 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.208 8.155 18.290 1.00 0.00 H new ATOM 1148 N HIS A 74 5.445 11.893 15.927 1.00 0.00 N ATOM 1149 CA HIS A 74 6.034 10.907 14.977 1.00 0.00 C ATOM 1150 C HIS A 74 6.677 9.752 15.755 1.00 0.00 C ATOM 1151 O HIS A 74 7.172 9.997 16.841 1.00 0.00 O ATOM 1152 CB HIS A 74 7.102 11.604 14.133 1.00 0.00 C ATOM 1153 CG HIS A 74 7.731 10.609 13.199 1.00 0.00 C ATOM 1154 ND1 HIS A 74 7.069 10.131 12.079 1.00 0.00 N ATOM 1155 CD2 HIS A 74 8.954 9.987 13.207 1.00 0.00 C ATOM 1156 CE1 HIS A 74 7.890 9.259 11.465 1.00 0.00 C ATOM 1157 NE2 HIS A 74 9.053 9.135 12.111 1.00 0.00 N ATOM 1158 OXT HIS A 74 6.662 8.641 15.246 1.00 0.00 O ATOM 0 H HIS A 74 5.806 12.843 15.841 1.00 0.00 H new ATOM 0 HA HIS A 74 5.249 10.511 14.333 1.00 0.00 H new ATOM 0 HB2 HIS A 74 6.656 12.420 13.565 1.00 0.00 H new ATOM 0 HB3 HIS A 74 7.862 12.043 14.779 1.00 0.00 H new ATOM 0 HD2 HIS A 74 9.723 10.136 13.951 1.00 0.00 H new ATOM 0 HE1 HIS A 74 7.639 8.725 10.561 1.00 0.00 H new ATOM 0 HE2 HIS A 74 9.844 8.543 11.856 1.00 0.00 H new TER 1166 HIS A 74