USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 593 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 29 HIS : no HE2:sc= -1.19 K(o=-0.28,f=-2.7!) USER MOD Set 1.2: A 61 THR OG1 : rot 80:sc= 0.911 USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= 0.438 USER MOD Set 2.2: A 18 CYS SG : rot -27:sc= 0.599 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= 0.402 (180deg=-0.141) USER MOD Single : A 13 MET CE :methyl -152:sc= -0.301 (180deg=-1.75) USER MOD Single : A 15 CYS SG : rot 53:sc= 0.0383 USER MOD Single : A 17 SER OG : rot -85:sc= 1.72 USER MOD Single : A 20 HIS : no HD1:sc= -0.285 X(o=-0.29,f=-0.27) USER MOD Single : A 21 LYS NZ :NH3+ 159:sc= 1.22 (180deg=0.88) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 140:sc= -0.0346 USER MOD Single : A 27 THR OG1 : rot 88:sc= 1.23 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 170:sc= -0.957 USER MOD Single : A 36 SER OG : rot 37:sc= 1.02 USER MOD Single : A 41 THR OG1 : rot -150:sc= -0.286 USER MOD Single : A 42 ASN : amide:sc= 0.0319 X(o=0.032,f=-0.2) USER MOD Single : A 43 LYS NZ :NH3+ 146:sc= 0.593 (180deg=-2.26!) USER MOD Single : A 45 HIS : no HE2:sc= -0.928 K(o=-0.93,f=-6.9!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.675 K(o=-0.68,f=-4.4!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 50:sc= 0.358 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.221 7.447 -16.102 1.00 7.28 N ATOM 2 CA MET A 1 1.635 6.758 -17.333 1.00 6.69 C ATOM 3 C MET A 1 2.958 6.022 -17.094 1.00 5.02 C ATOM 4 O MET A 1 4.011 6.648 -17.111 1.00 4.70 O ATOM 5 CB MET A 1 1.746 7.731 -18.516 1.00 7.35 C ATOM 6 CG MET A 1 0.383 8.273 -18.966 1.00 9.07 C ATOM 7 SD MET A 1 0.455 9.316 -20.445 1.00 10.03 S ATOM 8 CE MET A 1 -1.302 9.682 -20.659 1.00 11.74 C ATOM 0 H1 MET A 1 0.421 8.079 -16.310 1.00 7.28 H new ATOM 0 H2 MET A 1 0.932 6.745 -15.392 1.00 7.28 H new ATOM 0 H3 MET A 1 2.017 8.006 -15.733 1.00 7.28 H new ATOM 0 HA MET A 1 0.868 6.029 -17.594 1.00 6.69 H new ATOM 0 HB2 MET A 1 2.390 8.565 -18.236 1.00 7.35 H new ATOM 0 HB3 MET A 1 2.226 7.225 -19.354 1.00 7.35 H new ATOM 0 HG2 MET A 1 -0.285 7.433 -19.159 1.00 9.07 H new ATOM 0 HG3 MET A 1 -0.055 8.848 -18.150 1.00 9.07 H new ATOM 0 HE1 MET A 1 -1.437 10.320 -21.533 1.00 11.74 H new ATOM 0 HE2 MET A 1 -1.853 8.752 -20.800 1.00 11.74 H new ATOM 0 HE3 MET A 1 -1.677 10.195 -19.774 1.00 11.74 H new ATOM 20 N GLY A 2 2.905 4.701 -16.875 1.00 4.79 N ATOM 21 CA GLY A 2 4.091 3.877 -16.651 1.00 4.01 C ATOM 22 C GLY A 2 4.908 4.360 -15.451 1.00 3.00 C ATOM 23 O GLY A 2 6.135 4.344 -15.480 1.00 3.38 O ATOM 0 H GLY A 2 2.031 4.175 -16.849 1.00 4.79 H new ATOM 0 HA2 GLY A 2 3.788 2.842 -16.490 1.00 4.01 H new ATOM 0 HA3 GLY A 2 4.716 3.891 -17.544 1.00 4.01 H new ATOM 27 N ASP A 3 4.209 4.804 -14.406 1.00 2.65 N ATOM 28 CA ASP A 3 4.768 5.615 -13.333 1.00 2.65 C ATOM 29 C ASP A 3 5.563 4.735 -12.371 1.00 2.06 C ATOM 30 O ASP A 3 6.724 5.000 -12.069 1.00 3.62 O ATOM 31 CB ASP A 3 3.620 6.349 -12.614 1.00 3.85 C ATOM 32 CG ASP A 3 2.562 6.830 -13.593 1.00 4.87 C ATOM 33 OD1 ASP A 3 1.785 5.963 -14.065 1.00 4.84 O ATOM 34 OD2 ASP A 3 2.582 8.004 -14.021 1.00 6.22 O ATOM 0 H ASP A 3 3.217 4.603 -14.283 1.00 2.65 H new ATOM 0 HA ASP A 3 5.455 6.357 -13.740 1.00 2.65 H new ATOM 0 HB2 ASP A 3 3.163 5.682 -11.883 1.00 3.85 H new ATOM 0 HB3 ASP A 3 4.020 7.200 -12.063 1.00 3.85 H new ATOM 39 N GLY A 4 4.912 3.668 -11.904 1.00 0.89 N ATOM 40 CA GLY A 4 5.465 2.737 -10.940 1.00 1.22 C ATOM 41 C GLY A 4 4.325 1.948 -10.307 1.00 1.04 C ATOM 42 O GLY A 4 3.494 2.520 -9.604 1.00 1.46 O ATOM 0 H GLY A 4 3.965 3.429 -12.197 1.00 0.89 H new ATOM 0 HA2 GLY A 4 6.166 2.060 -11.429 1.00 1.22 H new ATOM 0 HA3 GLY A 4 6.023 3.275 -10.173 1.00 1.22 H new ATOM 46 N VAL A 5 4.267 0.640 -10.571 1.00 0.84 N ATOM 47 CA VAL A 5 3.380 -0.278 -9.864 1.00 0.77 C ATOM 48 C VAL A 5 4.114 -0.785 -8.624 1.00 0.75 C ATOM 49 O VAL A 5 5.341 -0.895 -8.637 1.00 0.99 O ATOM 50 CB VAL A 5 2.921 -1.432 -10.773 1.00 0.93 C ATOM 51 CG1 VAL A 5 2.108 -0.895 -11.957 1.00 2.05 C ATOM 52 CG2 VAL A 5 4.077 -2.299 -11.291 1.00 2.20 C ATOM 0 H VAL A 5 4.838 0.189 -11.286 1.00 0.84 H new ATOM 0 HA VAL A 5 2.471 0.242 -9.561 1.00 0.77 H new ATOM 0 HB VAL A 5 2.297 -2.073 -10.151 1.00 0.93 H new ATOM 0 HG11 VAL A 5 1.792 -1.726 -12.588 1.00 2.05 H new ATOM 0 HG12 VAL A 5 1.230 -0.367 -11.586 1.00 2.05 H new ATOM 0 HG13 VAL A 5 2.723 -0.210 -12.540 1.00 2.05 H new ATOM 0 HG21 VAL A 5 3.681 -3.092 -11.925 1.00 2.20 H new ATOM 0 HG22 VAL A 5 4.764 -1.681 -11.869 1.00 2.20 H new ATOM 0 HG23 VAL A 5 4.608 -2.740 -10.447 1.00 2.20 H new ATOM 62 N LEU A 6 3.377 -1.055 -7.547 1.00 0.78 N ATOM 63 CA LEU A 6 3.952 -1.384 -6.258 1.00 0.71 C ATOM 64 C LEU A 6 3.001 -2.301 -5.495 1.00 0.67 C ATOM 65 O LEU A 6 2.247 -1.840 -4.639 1.00 0.92 O ATOM 66 CB LEU A 6 4.235 -0.069 -5.511 1.00 0.89 C ATOM 67 CG LEU A 6 4.998 -0.221 -4.186 1.00 1.25 C ATOM 68 CD1 LEU A 6 6.434 -0.713 -4.404 1.00 1.72 C ATOM 69 CD2 LEU A 6 5.035 1.131 -3.463 1.00 2.26 C ATOM 0 H LEU A 6 2.357 -1.050 -7.552 1.00 0.78 H new ATOM 0 HA LEU A 6 4.892 -1.924 -6.366 1.00 0.71 H new ATOM 0 HB2 LEU A 6 4.806 0.588 -6.167 1.00 0.89 H new ATOM 0 HB3 LEU A 6 3.286 0.428 -5.310 1.00 0.89 H new ATOM 0 HG LEU A 6 4.475 -0.965 -3.585 1.00 1.25 H new ATOM 0 HD11 LEU A 6 6.937 -0.806 -3.441 1.00 1.72 H new ATOM 0 HD12 LEU A 6 6.415 -1.684 -4.899 1.00 1.72 H new ATOM 0 HD13 LEU A 6 6.973 0.001 -5.027 1.00 1.72 H new ATOM 0 HD21 LEU A 6 5.576 1.026 -2.522 1.00 2.26 H new ATOM 0 HD22 LEU A 6 5.539 1.866 -4.091 1.00 2.26 H new ATOM 0 HD23 LEU A 6 4.017 1.463 -3.261 1.00 2.26 H new ATOM 81 N GLU A 7 3.054 -3.605 -5.778 1.00 0.67 N ATOM 82 CA GLU A 7 2.374 -4.602 -4.974 1.00 0.71 C ATOM 83 C GLU A 7 3.158 -4.871 -3.711 1.00 0.70 C ATOM 84 O GLU A 7 4.126 -5.632 -3.722 1.00 0.91 O ATOM 85 CB GLU A 7 2.161 -5.900 -5.749 1.00 0.99 C ATOM 86 CG GLU A 7 1.179 -5.610 -6.878 1.00 0.76 C ATOM 87 CD GLU A 7 1.819 -5.176 -8.182 1.00 1.92 C ATOM 88 OE1 GLU A 7 3.020 -4.823 -8.155 1.00 3.49 O ATOM 89 OE2 GLU A 7 1.084 -5.257 -9.188 1.00 2.48 O ATOM 0 H GLU A 7 3.570 -3.990 -6.569 1.00 0.67 H new ATOM 0 HA GLU A 7 1.392 -4.208 -4.712 1.00 0.71 H new ATOM 0 HB2 GLU A 7 3.107 -6.266 -6.149 1.00 0.99 H new ATOM 0 HB3 GLU A 7 1.770 -6.678 -5.093 1.00 0.99 H new ATOM 0 HG2 GLU A 7 0.584 -6.505 -7.062 1.00 0.76 H new ATOM 0 HG3 GLU A 7 0.491 -4.831 -6.551 1.00 0.76 H new ATOM 96 N LEU A 8 2.690 -4.261 -2.626 1.00 0.77 N ATOM 97 CA LEU A 8 3.101 -4.597 -1.284 1.00 1.00 C ATOM 98 C LEU A 8 2.186 -5.718 -0.804 1.00 0.81 C ATOM 99 O LEU A 8 0.985 -5.484 -0.680 1.00 0.90 O ATOM 100 CB LEU A 8 2.980 -3.374 -0.366 1.00 1.32 C ATOM 101 CG LEU A 8 3.551 -2.083 -0.971 1.00 1.37 C ATOM 102 CD1 LEU A 8 3.284 -0.928 -0.018 1.00 2.62 C ATOM 103 CD2 LEU A 8 5.050 -2.201 -1.228 1.00 2.43 C ATOM 0 H LEU A 8 2.003 -3.508 -2.665 1.00 0.77 H new ATOM 0 HA LEU A 8 4.143 -4.916 -1.266 1.00 1.00 H new ATOM 0 HB2 LEU A 8 1.929 -3.216 -0.124 1.00 1.32 H new ATOM 0 HB3 LEU A 8 3.495 -3.583 0.571 1.00 1.32 H new ATOM 0 HG LEU A 8 3.062 -1.905 -1.929 1.00 1.37 H new ATOM 0 HD11 LEU A 8 3.687 -0.007 -0.440 1.00 2.62 H new ATOM 0 HD12 LEU A 8 2.210 -0.820 0.131 1.00 2.62 H new ATOM 0 HD13 LEU A 8 3.764 -1.128 0.940 1.00 2.62 H new ATOM 0 HD21 LEU A 8 5.420 -1.269 -1.656 1.00 2.43 H new ATOM 0 HD22 LEU A 8 5.566 -2.399 -0.288 1.00 2.43 H new ATOM 0 HD23 LEU A 8 5.237 -3.019 -1.923 1.00 2.43 H new ATOM 115 N VAL A 9 2.712 -6.905 -0.490 1.00 0.69 N ATOM 116 CA VAL A 9 1.905 -7.883 0.222 1.00 0.57 C ATOM 117 C VAL A 9 1.855 -7.395 1.670 1.00 0.51 C ATOM 118 O VAL A 9 2.900 -7.176 2.287 1.00 0.65 O ATOM 119 CB VAL A 9 2.417 -9.324 0.044 1.00 0.65 C ATOM 120 CG1 VAL A 9 3.742 -9.613 0.752 1.00 1.82 C ATOM 121 CG2 VAL A 9 1.362 -10.326 0.531 1.00 1.40 C ATOM 0 H VAL A 9 3.663 -7.201 -0.711 1.00 0.69 H new ATOM 0 HA VAL A 9 0.895 -7.949 -0.182 1.00 0.57 H new ATOM 0 HB VAL A 9 2.601 -9.436 -1.025 1.00 0.65 H new ATOM 0 HG11 VAL A 9 4.030 -10.649 0.575 1.00 1.82 H new ATOM 0 HG12 VAL A 9 4.515 -8.950 0.363 1.00 1.82 H new ATOM 0 HG13 VAL A 9 3.626 -9.446 1.823 1.00 1.82 H new ATOM 0 HG21 VAL A 9 1.736 -11.341 0.400 1.00 1.40 H new ATOM 0 HG22 VAL A 9 1.153 -10.150 1.586 1.00 1.40 H new ATOM 0 HG23 VAL A 9 0.446 -10.200 -0.046 1.00 1.40 H new ATOM 131 N VAL A 10 0.641 -7.120 2.152 1.00 0.59 N ATOM 132 CA VAL A 10 0.362 -6.539 3.452 1.00 0.59 C ATOM 133 C VAL A 10 -0.037 -7.667 4.395 1.00 0.63 C ATOM 134 O VAL A 10 -1.197 -8.070 4.476 1.00 1.15 O ATOM 135 CB VAL A 10 -0.680 -5.407 3.363 1.00 0.65 C ATOM 136 CG1 VAL A 10 0.014 -4.111 2.951 1.00 2.15 C ATOM 137 CG2 VAL A 10 -1.810 -5.676 2.369 1.00 1.81 C ATOM 0 H VAL A 10 -0.207 -7.307 1.617 1.00 0.59 H new ATOM 0 HA VAL A 10 1.252 -6.054 3.852 1.00 0.59 H new ATOM 0 HB VAL A 10 -1.130 -5.336 4.353 1.00 0.65 H new ATOM 0 HG11 VAL A 10 -0.721 -3.309 2.887 1.00 2.15 H new ATOM 0 HG12 VAL A 10 0.770 -3.852 3.692 1.00 2.15 H new ATOM 0 HG13 VAL A 10 0.489 -4.246 1.979 1.00 2.15 H new ATOM 0 HG21 VAL A 10 -2.500 -4.833 2.366 1.00 1.81 H new ATOM 0 HG22 VAL A 10 -1.393 -5.807 1.371 1.00 1.81 H new ATOM 0 HG23 VAL A 10 -2.344 -6.581 2.661 1.00 1.81 H new ATOM 147 N ARG A 11 0.958 -8.187 5.106 1.00 0.89 N ATOM 148 CA ARG A 11 0.811 -9.304 6.009 1.00 1.20 C ATOM 149 C ARG A 11 0.191 -8.763 7.289 1.00 1.12 C ATOM 150 O ARG A 11 0.792 -7.950 7.996 1.00 1.20 O ATOM 151 CB ARG A 11 2.183 -9.934 6.259 1.00 1.52 C ATOM 152 CG ARG A 11 2.726 -10.603 4.986 1.00 1.96 C ATOM 153 CD ARG A 11 4.251 -10.507 4.990 1.00 2.70 C ATOM 154 NE ARG A 11 4.859 -11.143 3.813 1.00 3.99 N ATOM 155 CZ ARG A 11 6.077 -10.815 3.350 1.00 5.18 C ATOM 156 NH1 ARG A 11 6.880 -10.039 4.076 1.00 5.53 N ATOM 157 NH2 ARG A 11 6.484 -11.244 2.151 1.00 6.53 N ATOM 0 H ARG A 11 1.912 -7.828 5.063 1.00 0.89 H new ATOM 0 HA ARG A 11 0.169 -10.083 5.597 1.00 1.20 H new ATOM 0 HB2 ARG A 11 2.882 -9.169 6.597 1.00 1.52 H new ATOM 0 HB3 ARG A 11 2.107 -10.672 7.057 1.00 1.52 H new ATOM 0 HG2 ARG A 11 2.414 -11.647 4.946 1.00 1.96 H new ATOM 0 HG3 ARG A 11 2.320 -10.114 4.100 1.00 1.96 H new ATOM 0 HD2 ARG A 11 4.545 -9.458 5.025 1.00 2.70 H new ATOM 0 HD3 ARG A 11 4.639 -10.977 5.894 1.00 2.70 H new ATOM 0 HE ARG A 11 4.332 -11.867 3.325 1.00 3.99 H new ATOM 0 HH11 ARG A 11 6.571 -9.693 4.984 1.00 5.53 H new ATOM 0 HH12 ARG A 11 7.804 -9.791 3.724 1.00 5.53 H new ATOM 0 HH21 ARG A 11 5.869 -11.824 1.581 1.00 6.53 H new ATOM 0 HH22 ARG A 11 7.410 -10.991 1.806 1.00 6.53 H new ATOM 171 N GLY A 12 -1.048 -9.184 7.530 1.00 1.20 N ATOM 172 CA GLY A 12 -1.929 -8.732 8.567 1.00 1.22 C ATOM 173 C GLY A 12 -3.268 -8.698 7.851 1.00 1.71 C ATOM 174 O GLY A 12 -3.548 -9.577 7.031 1.00 3.54 O ATOM 0 H GLY A 12 -1.481 -9.905 6.953 1.00 1.20 H new ATOM 0 HA2 GLY A 12 -1.939 -9.412 9.419 1.00 1.22 H new ATOM 0 HA3 GLY A 12 -1.644 -7.751 8.946 1.00 1.22 H new ATOM 178 N MET A 13 -4.030 -7.637 8.082 1.00 0.80 N ATOM 179 CA MET A 13 -5.362 -7.467 7.541 1.00 1.01 C ATOM 180 C MET A 13 -6.341 -8.540 8.032 1.00 1.22 C ATOM 181 O MET A 13 -5.977 -9.446 8.779 1.00 2.21 O ATOM 182 CB MET A 13 -5.343 -7.301 6.015 1.00 1.38 C ATOM 183 CG MET A 13 -4.447 -6.128 5.599 1.00 0.89 C ATOM 184 SD MET A 13 -4.975 -5.271 4.099 1.00 1.30 S ATOM 185 CE MET A 13 -5.140 -6.687 3.004 1.00 1.08 C ATOM 0 H MET A 13 -3.728 -6.856 8.664 1.00 0.80 H new ATOM 0 HA MET A 13 -5.751 -6.529 7.938 1.00 1.01 H new ATOM 0 HB2 MET A 13 -4.984 -8.219 5.551 1.00 1.38 H new ATOM 0 HB3 MET A 13 -6.357 -7.135 5.651 1.00 1.38 H new ATOM 0 HG2 MET A 13 -4.409 -5.409 6.418 1.00 0.89 H new ATOM 0 HG3 MET A 13 -3.432 -6.498 5.452 1.00 0.89 H new ATOM 0 HE1 MET A 13 -4.968 -6.373 1.975 1.00 1.08 H new ATOM 0 HE2 MET A 13 -4.408 -7.447 3.279 1.00 1.08 H new ATOM 0 HE3 MET A 13 -6.144 -7.101 3.094 1.00 1.08 H new ATOM 195 N THR A 14 -7.616 -8.369 7.678 1.00 1.10 N ATOM 196 CA THR A 14 -8.741 -9.102 8.236 1.00 1.12 C ATOM 197 C THR A 14 -9.871 -9.129 7.201 1.00 1.74 C ATOM 198 O THR A 14 -10.043 -10.112 6.484 1.00 3.29 O ATOM 199 CB THR A 14 -9.194 -8.415 9.539 1.00 1.44 C ATOM 200 OG1 THR A 14 -9.319 -7.021 9.316 1.00 3.18 O ATOM 201 CG2 THR A 14 -8.222 -8.635 10.703 1.00 1.05 C ATOM 0 H THR A 14 -7.898 -7.691 6.970 1.00 1.10 H new ATOM 0 HA THR A 14 -8.458 -10.128 8.471 1.00 1.12 H new ATOM 0 HB THR A 14 -10.149 -8.863 9.815 1.00 1.44 H new ATOM 0 HG1 THR A 14 -9.609 -6.582 10.143 1.00 3.18 H new ATOM 0 HG21 THR A 14 -8.597 -8.127 11.591 1.00 1.05 H new ATOM 0 HG22 THR A 14 -8.133 -9.702 10.906 1.00 1.05 H new ATOM 0 HG23 THR A 14 -7.243 -8.233 10.441 1.00 1.05 H new ATOM 209 N CYS A 15 -10.640 -8.040 7.123 1.00 1.12 N ATOM 210 CA CYS A 15 -11.799 -7.885 6.249 1.00 1.75 C ATOM 211 C CYS A 15 -12.258 -6.440 6.332 1.00 1.34 C ATOM 212 O CYS A 15 -12.385 -5.915 7.437 1.00 2.30 O ATOM 213 CB CYS A 15 -12.943 -8.809 6.689 1.00 3.19 C ATOM 214 SG CYS A 15 -13.101 -10.182 5.523 1.00 5.37 S ATOM 0 H CYS A 15 -10.463 -7.211 7.690 1.00 1.12 H new ATOM 0 HA CYS A 15 -11.523 -8.149 5.228 1.00 1.75 H new ATOM 0 HB2 CYS A 15 -12.750 -9.191 7.691 1.00 3.19 H new ATOM 0 HB3 CYS A 15 -13.877 -8.250 6.736 1.00 3.19 H new ATOM 0 HG CYS A 15 -11.949 -10.767 5.383 1.00 5.37 H new ATOM 220 N ALA A 16 -12.485 -5.792 5.183 1.00 1.24 N ATOM 221 CA ALA A 16 -12.833 -4.375 5.119 1.00 0.80 C ATOM 222 C ALA A 16 -11.856 -3.575 5.992 1.00 1.28 C ATOM 223 O ALA A 16 -10.711 -3.992 6.123 1.00 2.80 O ATOM 224 CB ALA A 16 -14.302 -4.216 5.525 1.00 1.00 C ATOM 0 H ALA A 16 -12.431 -6.242 4.269 1.00 1.24 H new ATOM 0 HA ALA A 16 -12.736 -3.977 4.109 1.00 0.80 H new ATOM 0 HB1 ALA A 16 -14.579 -3.163 5.483 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -14.932 -4.785 4.841 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -14.441 -4.587 6.540 1.00 1.00 H new ATOM 230 N SER A 17 -12.294 -2.489 6.638 1.00 0.65 N ATOM 231 CA SER A 17 -11.620 -1.855 7.775 1.00 0.67 C ATOM 232 C SER A 17 -10.133 -1.535 7.550 1.00 0.56 C ATOM 233 O SER A 17 -9.769 -0.440 7.133 1.00 0.68 O ATOM 234 CB SER A 17 -11.854 -2.703 9.029 1.00 1.16 C ATOM 235 OG SER A 17 -11.203 -3.962 8.966 1.00 1.39 O ATOM 0 H SER A 17 -13.156 -2.012 6.375 1.00 0.65 H new ATOM 0 HA SER A 17 -12.069 -0.870 7.906 1.00 0.67 H new ATOM 0 HB2 SER A 17 -11.498 -2.158 9.903 1.00 1.16 H new ATOM 0 HB3 SER A 17 -12.924 -2.858 9.164 1.00 1.16 H new ATOM 0 HG SER A 17 -11.773 -4.601 8.489 1.00 1.39 H new ATOM 241 N CYS A 18 -9.255 -2.496 7.820 1.00 0.62 N ATOM 242 CA CYS A 18 -7.861 -2.454 7.402 1.00 0.68 C ATOM 243 C CYS A 18 -7.725 -2.015 5.937 1.00 0.62 C ATOM 244 O CYS A 18 -6.879 -1.182 5.626 1.00 0.69 O ATOM 245 CB CYS A 18 -7.187 -3.806 7.666 1.00 0.91 C ATOM 246 SG CYS A 18 -7.946 -5.114 6.679 1.00 3.54 S ATOM 0 H CYS A 18 -9.497 -3.337 8.343 1.00 0.62 H new ATOM 0 HA CYS A 18 -7.344 -1.702 7.998 1.00 0.68 H new ATOM 0 HB2 CYS A 18 -6.125 -3.738 7.431 1.00 0.91 H new ATOM 0 HB3 CYS A 18 -7.264 -4.054 8.725 1.00 0.91 H new ATOM 0 HG CYS A 18 -9.179 -4.798 6.415 1.00 3.54 H new ATOM 252 N VAL A 19 -8.593 -2.516 5.058 1.00 0.63 N ATOM 253 CA VAL A 19 -8.628 -2.202 3.643 1.00 0.69 C ATOM 254 C VAL A 19 -8.708 -0.685 3.443 1.00 0.63 C ATOM 255 O VAL A 19 -7.729 -0.047 3.049 1.00 0.71 O ATOM 256 CB VAL A 19 -9.804 -2.965 3.004 1.00 0.72 C ATOM 257 CG1 VAL A 19 -10.102 -2.516 1.572 1.00 0.80 C ATOM 258 CG2 VAL A 19 -9.518 -4.473 2.993 1.00 0.82 C ATOM 0 H VAL A 19 -9.318 -3.179 5.331 1.00 0.63 H new ATOM 0 HA VAL A 19 -7.713 -2.524 3.145 1.00 0.69 H new ATOM 0 HB VAL A 19 -10.678 -2.741 3.616 1.00 0.72 H new ATOM 0 HG11 VAL A 19 -10.940 -3.091 1.177 1.00 0.80 H new ATOM 0 HG12 VAL A 19 -10.355 -1.456 1.568 1.00 0.80 H new ATOM 0 HG13 VAL A 19 -9.223 -2.681 0.949 1.00 0.80 H new ATOM 0 HG21 VAL A 19 -10.358 -4.999 2.539 1.00 0.82 H new ATOM 0 HG22 VAL A 19 -8.613 -4.668 2.417 1.00 0.82 H new ATOM 0 HG23 VAL A 19 -9.380 -4.825 4.015 1.00 0.82 H new ATOM 268 N HIS A 20 -9.871 -0.095 3.741 1.00 0.52 N ATOM 269 CA HIS A 20 -10.070 1.323 3.490 1.00 0.57 C ATOM 270 C HIS A 20 -9.187 2.175 4.399 1.00 0.52 C ATOM 271 O HIS A 20 -8.840 3.287 4.013 1.00 0.57 O ATOM 272 CB HIS A 20 -11.547 1.737 3.516 1.00 0.65 C ATOM 273 CG HIS A 20 -12.144 1.937 4.883 1.00 0.62 C ATOM 274 ND1 HIS A 20 -12.876 3.018 5.322 1.00 1.17 N ATOM 275 CD2 HIS A 20 -12.102 1.034 5.901 1.00 0.92 C ATOM 276 CE1 HIS A 20 -13.257 2.755 6.587 1.00 1.10 C ATOM 277 NE2 HIS A 20 -12.809 1.554 6.984 1.00 1.09 N ATOM 0 H HIS A 20 -10.673 -0.575 4.150 1.00 0.52 H new ATOM 0 HA HIS A 20 -9.747 1.515 2.467 1.00 0.57 H new ATOM 0 HB2 HIS A 20 -11.656 2.664 2.953 1.00 0.65 H new ATOM 0 HB3 HIS A 20 -12.128 0.977 2.994 1.00 0.65 H new ATOM 0 HD2 HIS A 20 -11.605 0.076 5.874 1.00 0.92 H new ATOM 0 HE1 HIS A 20 -13.845 3.422 7.200 1.00 1.10 H new ATOM 0 HE2 HIS A 20 -12.956 1.112 7.892 1.00 1.09 H new ATOM 285 N LYS A 21 -8.791 1.669 5.577 1.00 0.48 N ATOM 286 CA LYS A 21 -7.774 2.328 6.381 1.00 0.43 C ATOM 287 C LYS A 21 -6.538 2.559 5.508 1.00 0.39 C ATOM 288 O LYS A 21 -6.103 3.701 5.370 1.00 0.42 O ATOM 289 CB LYS A 21 -7.427 1.526 7.652 1.00 0.49 C ATOM 290 CG LYS A 21 -6.474 2.330 8.551 1.00 0.46 C ATOM 291 CD LYS A 21 -5.421 1.488 9.291 1.00 2.35 C ATOM 292 CE LYS A 21 -5.990 0.591 10.400 1.00 3.11 C ATOM 293 NZ LYS A 21 -4.932 -0.201 11.074 1.00 4.73 N ATOM 0 H LYS A 21 -9.162 0.811 5.984 1.00 0.48 H new ATOM 0 HA LYS A 21 -8.162 3.285 6.729 1.00 0.43 H new ATOM 0 HB2 LYS A 21 -8.339 1.288 8.199 1.00 0.49 H new ATOM 0 HB3 LYS A 21 -6.964 0.578 7.376 1.00 0.49 H new ATOM 0 HG2 LYS A 21 -5.961 3.073 7.940 1.00 0.46 H new ATOM 0 HG3 LYS A 21 -7.065 2.876 9.287 1.00 0.46 H new ATOM 0 HD2 LYS A 21 -4.899 0.863 8.567 1.00 2.35 H new ATOM 0 HD3 LYS A 21 -4.679 2.157 9.727 1.00 2.35 H new ATOM 0 HE2 LYS A 21 -6.505 1.208 11.136 1.00 3.11 H new ATOM 0 HE3 LYS A 21 -6.732 -0.084 9.975 1.00 3.11 H new ATOM 0 HZ1 LYS A 21 -5.269 -0.506 12.009 1.00 4.73 H new ATOM 0 HZ2 LYS A 21 -4.704 -1.037 10.499 1.00 4.73 H new ATOM 0 HZ3 LYS A 21 -4.080 0.384 11.187 1.00 4.73 H new ATOM 307 N ILE A 22 -5.966 1.495 4.931 1.00 0.39 N ATOM 308 CA ILE A 22 -4.805 1.642 4.063 1.00 0.40 C ATOM 309 C ILE A 22 -5.155 2.605 2.925 1.00 0.47 C ATOM 310 O ILE A 22 -4.515 3.646 2.790 1.00 0.50 O ATOM 311 CB ILE A 22 -4.296 0.279 3.546 1.00 0.39 C ATOM 312 CG1 ILE A 22 -3.791 -0.604 4.698 1.00 0.41 C ATOM 313 CG2 ILE A 22 -3.139 0.491 2.556 1.00 0.44 C ATOM 314 CD1 ILE A 22 -3.492 -2.042 4.269 1.00 0.58 C ATOM 0 H ILE A 22 -6.288 0.535 5.051 1.00 0.39 H new ATOM 0 HA ILE A 22 -3.979 2.063 4.636 1.00 0.40 H new ATOM 0 HB ILE A 22 -5.133 -0.218 3.055 1.00 0.39 H new ATOM 0 HG12 ILE A 22 -2.887 -0.161 5.117 1.00 0.41 H new ATOM 0 HG13 ILE A 22 -4.538 -0.616 5.492 1.00 0.41 H new ATOM 0 HG21 ILE A 22 -2.786 -0.476 2.196 1.00 0.44 H new ATOM 0 HG22 ILE A 22 -3.487 1.087 1.712 1.00 0.44 H new ATOM 0 HG23 ILE A 22 -2.323 1.012 3.056 1.00 0.44 H new ATOM 0 HD11 ILE A 22 -3.140 -2.612 5.128 1.00 0.58 H new ATOM 0 HD12 ILE A 22 -4.400 -2.501 3.876 1.00 0.58 H new ATOM 0 HD13 ILE A 22 -2.724 -2.039 3.496 1.00 0.58 H new ATOM 326 N GLU A 23 -6.164 2.271 2.116 1.00 0.52 N ATOM 327 CA GLU A 23 -6.460 3.023 0.901 1.00 0.59 C ATOM 328 C GLU A 23 -6.644 4.512 1.198 1.00 0.56 C ATOM 329 O GLU A 23 -5.929 5.358 0.656 1.00 0.62 O ATOM 330 CB GLU A 23 -7.670 2.413 0.182 1.00 0.72 C ATOM 331 CG GLU A 23 -7.367 0.973 -0.254 1.00 1.24 C ATOM 332 CD GLU A 23 -8.554 0.258 -0.882 1.00 2.01 C ATOM 333 OE1 GLU A 23 -9.683 0.502 -0.405 1.00 2.41 O ATOM 334 OE2 GLU A 23 -8.296 -0.552 -1.801 1.00 3.27 O ATOM 0 H GLU A 23 -6.789 1.483 2.284 1.00 0.52 H new ATOM 0 HA GLU A 23 -5.607 2.950 0.227 1.00 0.59 H new ATOM 0 HB2 GLU A 23 -8.537 2.424 0.843 1.00 0.72 H new ATOM 0 HB3 GLU A 23 -7.925 3.017 -0.689 1.00 0.72 H new ATOM 0 HG2 GLU A 23 -6.543 0.985 -0.968 1.00 1.24 H new ATOM 0 HG3 GLU A 23 -7.029 0.404 0.613 1.00 1.24 H new ATOM 341 N SER A 24 -7.585 4.824 2.090 1.00 0.55 N ATOM 342 CA SER A 24 -7.878 6.186 2.501 1.00 0.59 C ATOM 343 C SER A 24 -6.618 6.849 3.055 1.00 0.59 C ATOM 344 O SER A 24 -6.300 7.971 2.662 1.00 0.74 O ATOM 345 CB SER A 24 -9.021 6.193 3.526 1.00 0.64 C ATOM 346 OG SER A 24 -9.477 7.509 3.771 1.00 1.04 O ATOM 0 H SER A 24 -8.169 4.125 2.549 1.00 0.55 H new ATOM 0 HA SER A 24 -8.204 6.764 1.636 1.00 0.59 H new ATOM 0 HB2 SER A 24 -9.846 5.581 3.160 1.00 0.64 H new ATOM 0 HB3 SER A 24 -8.680 5.743 4.459 1.00 0.64 H new ATOM 0 HG SER A 24 -10.206 7.486 4.426 1.00 1.04 H new ATOM 352 N SER A 25 -5.892 6.163 3.949 1.00 0.51 N ATOM 353 CA SER A 25 -4.709 6.742 4.557 1.00 0.52 C ATOM 354 C SER A 25 -3.690 7.090 3.481 1.00 0.49 C ATOM 355 O SER A 25 -3.392 8.262 3.285 1.00 0.75 O ATOM 356 CB SER A 25 -4.116 5.842 5.645 1.00 0.53 C ATOM 357 OG SER A 25 -3.048 6.518 6.280 1.00 0.84 O ATOM 0 H SER A 25 -6.109 5.216 4.258 1.00 0.51 H new ATOM 0 HA SER A 25 -5.002 7.663 5.062 1.00 0.52 H new ATOM 0 HB2 SER A 25 -4.882 5.582 6.375 1.00 0.53 H new ATOM 0 HB3 SER A 25 -3.762 4.908 5.208 1.00 0.53 H new ATOM 0 HG SER A 25 -3.078 6.345 7.244 1.00 0.84 H new ATOM 363 N LEU A 26 -3.135 6.106 2.770 1.00 0.35 N ATOM 364 CA LEU A 26 -1.962 6.396 1.960 1.00 0.46 C ATOM 365 C LEU A 26 -2.305 7.338 0.808 1.00 0.48 C ATOM 366 O LEU A 26 -1.469 8.139 0.402 1.00 0.57 O ATOM 367 CB LEU A 26 -1.253 5.147 1.439 1.00 0.72 C ATOM 368 CG LEU A 26 -0.548 4.253 2.465 1.00 0.93 C ATOM 369 CD1 LEU A 26 0.705 4.924 3.005 1.00 2.86 C ATOM 370 CD2 LEU A 26 -1.379 3.805 3.667 1.00 2.24 C ATOM 0 H LEU A 26 -3.465 5.141 2.740 1.00 0.35 H new ATOM 0 HA LEU A 26 -1.258 6.892 2.628 1.00 0.46 H new ATOM 0 HB2 LEU A 26 -1.988 4.539 0.912 1.00 0.72 H new ATOM 0 HB3 LEU A 26 -0.513 5.463 0.703 1.00 0.72 H new ATOM 0 HG LEU A 26 -0.328 3.356 1.886 1.00 0.93 H new ATOM 0 HD11 LEU A 26 1.185 4.268 3.731 1.00 2.86 H new ATOM 0 HD12 LEU A 26 1.394 5.123 2.184 1.00 2.86 H new ATOM 0 HD13 LEU A 26 0.435 5.863 3.488 1.00 2.86 H new ATOM 0 HD21 LEU A 26 -0.769 3.179 4.318 1.00 2.24 H new ATOM 0 HD22 LEU A 26 -1.720 4.680 4.220 1.00 2.24 H new ATOM 0 HD23 LEU A 26 -2.242 3.236 3.321 1.00 2.24 H new ATOM 382 N THR A 27 -3.537 7.309 0.299 1.00 0.50 N ATOM 383 CA THR A 27 -3.932 8.273 -0.719 1.00 0.64 C ATOM 384 C THR A 27 -3.726 9.733 -0.257 1.00 0.75 C ATOM 385 O THR A 27 -3.595 10.621 -1.096 1.00 1.40 O ATOM 386 CB THR A 27 -5.360 7.959 -1.175 1.00 0.68 C ATOM 387 OG1 THR A 27 -5.396 6.643 -1.690 1.00 1.58 O ATOM 388 CG2 THR A 27 -5.866 8.899 -2.273 1.00 1.36 C ATOM 0 H THR A 27 -4.261 6.644 0.569 1.00 0.50 H new ATOM 0 HA THR A 27 -3.278 8.176 -1.586 1.00 0.64 H new ATOM 0 HB THR A 27 -6.002 8.084 -0.303 1.00 0.68 H new ATOM 0 HG1 THR A 27 -5.566 6.011 -0.961 1.00 1.58 H new ATOM 0 HG21 THR A 27 -6.883 8.621 -2.550 1.00 1.36 H new ATOM 0 HG22 THR A 27 -5.857 9.925 -1.906 1.00 1.36 H new ATOM 0 HG23 THR A 27 -5.218 8.820 -3.146 1.00 1.36 H new ATOM 396 N LYS A 28 -3.634 10.007 1.055 1.00 0.63 N ATOM 397 CA LYS A 28 -3.279 11.338 1.542 1.00 0.61 C ATOM 398 C LYS A 28 -1.896 11.789 1.056 1.00 0.58 C ATOM 399 O LYS A 28 -1.660 12.988 0.918 1.00 0.72 O ATOM 400 CB LYS A 28 -3.396 11.421 3.074 1.00 0.65 C ATOM 401 CG LYS A 28 -2.247 10.748 3.845 1.00 2.08 C ATOM 402 CD LYS A 28 -1.177 11.732 4.335 1.00 3.69 C ATOM 403 CE LYS A 28 -0.071 10.944 5.055 1.00 5.00 C ATOM 404 NZ LYS A 28 0.971 11.826 5.617 1.00 6.64 N ATOM 0 H LYS A 28 -3.801 9.321 1.791 1.00 0.63 H new ATOM 0 HA LYS A 28 -4.000 12.035 1.115 1.00 0.61 H new ATOM 0 HB2 LYS A 28 -3.444 12.470 3.365 1.00 0.65 H new ATOM 0 HB3 LYS A 28 -4.337 10.962 3.378 1.00 0.65 H new ATOM 0 HG2 LYS A 28 -2.659 10.215 4.702 1.00 2.08 H new ATOM 0 HG3 LYS A 28 -1.777 10.003 3.203 1.00 2.08 H new ATOM 0 HD2 LYS A 28 -0.760 12.285 3.494 1.00 3.69 H new ATOM 0 HD3 LYS A 28 -1.619 12.465 5.010 1.00 3.69 H new ATOM 0 HE2 LYS A 28 -0.513 10.351 5.856 1.00 5.00 H new ATOM 0 HE3 LYS A 28 0.387 10.244 4.356 1.00 5.00 H new ATOM 0 HZ1 LYS A 28 1.694 11.250 6.092 1.00 6.64 H new ATOM 0 HZ2 LYS A 28 1.413 12.373 4.851 1.00 6.64 H new ATOM 0 HZ3 LYS A 28 0.541 12.477 6.304 1.00 6.64 H new ATOM 418 N HIS A 29 -0.952 10.863 0.840 1.00 0.54 N ATOM 419 CA HIS A 29 0.333 11.247 0.284 1.00 0.60 C ATOM 420 C HIS A 29 0.122 11.644 -1.176 1.00 0.89 C ATOM 421 O HIS A 29 -0.161 10.781 -2.006 1.00 2.36 O ATOM 422 CB HIS A 29 1.353 10.104 0.315 1.00 0.64 C ATOM 423 CG HIS A 29 1.648 9.451 1.639 1.00 0.52 C ATOM 424 ND1 HIS A 29 2.753 9.701 2.427 1.00 1.03 N ATOM 425 CD2 HIS A 29 1.205 8.203 1.977 1.00 0.81 C ATOM 426 CE1 HIS A 29 2.919 8.638 3.235 1.00 1.03 C ATOM 427 NE2 HIS A 29 1.990 7.712 3.010 1.00 0.87 N ATOM 0 H HIS A 29 -1.058 9.868 1.039 1.00 0.54 H new ATOM 0 HA HIS A 29 0.723 12.067 0.887 1.00 0.60 H new ATOM 0 HB2 HIS A 29 1.006 9.329 -0.369 1.00 0.64 H new ATOM 0 HB3 HIS A 29 2.293 10.485 -0.085 1.00 0.64 H new ATOM 0 HD1 HIS A 29 3.336 10.537 2.402 1.00 1.03 H new ATOM 0 HD2 HIS A 29 0.378 7.684 1.515 1.00 0.81 H new ATOM 0 HE1 HIS A 29 3.704 8.548 3.971 1.00 1.03 H new ATOM 435 N ARG A 30 0.366 12.905 -1.539 1.00 0.97 N ATOM 436 CA ARG A 30 0.222 13.369 -2.919 1.00 0.94 C ATOM 437 C ARG A 30 1.339 12.849 -3.853 1.00 0.95 C ATOM 438 O ARG A 30 1.705 13.525 -4.814 1.00 1.45 O ATOM 439 CB ARG A 30 0.100 14.904 -2.915 1.00 1.06 C ATOM 440 CG ARG A 30 -0.390 15.471 -4.259 1.00 2.20 C ATOM 441 CD ARG A 30 0.647 16.413 -4.888 1.00 3.31 C ATOM 442 NE ARG A 30 0.330 16.706 -6.296 1.00 4.82 N ATOM 443 CZ ARG A 30 0.657 15.931 -7.346 1.00 6.31 C ATOM 444 NH1 ARG A 30 1.273 14.758 -7.164 1.00 6.89 N ATOM 445 NH2 ARG A 30 0.361 16.338 -8.586 1.00 7.84 N ATOM 0 H ARG A 30 0.668 13.630 -0.888 1.00 0.97 H new ATOM 0 HA ARG A 30 -0.691 12.947 -3.340 1.00 0.94 H new ATOM 0 HB2 ARG A 30 -0.589 15.206 -2.126 1.00 1.06 H new ATOM 0 HB3 ARG A 30 1.070 15.340 -2.675 1.00 1.06 H new ATOM 0 HG2 ARG A 30 -0.601 14.651 -4.945 1.00 2.20 H new ATOM 0 HG3 ARG A 30 -1.326 16.009 -4.108 1.00 2.20 H new ATOM 0 HD2 ARG A 30 0.685 17.344 -4.322 1.00 3.31 H new ATOM 0 HD3 ARG A 30 1.637 15.961 -4.824 1.00 3.31 H new ATOM 0 HE ARG A 30 -0.180 17.568 -6.491 1.00 4.82 H new ATOM 0 HH11 ARG A 30 1.500 14.442 -6.221 1.00 6.89 H new ATOM 0 HH12 ARG A 30 1.516 14.179 -7.968 1.00 6.89 H new ATOM 0 HH21 ARG A 30 -0.110 17.231 -8.731 1.00 7.84 H new ATOM 0 HH22 ARG A 30 0.606 15.755 -9.386 1.00 7.84 H new ATOM 459 N GLY A 31 1.853 11.642 -3.606 1.00 0.62 N ATOM 460 CA GLY A 31 2.688 10.865 -4.511 1.00 0.66 C ATOM 461 C GLY A 31 2.126 9.462 -4.739 1.00 0.59 C ATOM 462 O GLY A 31 2.599 8.739 -5.613 1.00 0.72 O ATOM 0 H GLY A 31 1.687 11.160 -2.723 1.00 0.62 H new ATOM 0 HA2 GLY A 31 2.769 11.384 -5.466 1.00 0.66 H new ATOM 0 HA3 GLY A 31 3.696 10.791 -4.102 1.00 0.66 H new ATOM 466 N ILE A 32 1.095 9.070 -3.984 1.00 0.71 N ATOM 467 CA ILE A 32 0.352 7.862 -4.273 1.00 0.69 C ATOM 468 C ILE A 32 -0.598 8.216 -5.414 1.00 0.63 C ATOM 469 O ILE A 32 -1.436 9.104 -5.270 1.00 0.76 O ATOM 470 CB ILE A 32 -0.384 7.412 -3.000 1.00 0.82 C ATOM 471 CG1 ILE A 32 0.575 6.723 -2.018 1.00 1.80 C ATOM 472 CG2 ILE A 32 -1.533 6.456 -3.330 1.00 1.75 C ATOM 473 CD1 ILE A 32 0.763 5.245 -2.363 1.00 2.50 C ATOM 0 H ILE A 32 0.763 9.582 -3.167 1.00 0.71 H new ATOM 0 HA ILE A 32 0.985 7.028 -4.575 1.00 0.69 H new ATOM 0 HB ILE A 32 -0.790 8.310 -2.535 1.00 0.82 H new ATOM 0 HG12 ILE A 32 1.541 7.228 -2.036 1.00 1.80 H new ATOM 0 HG13 ILE A 32 0.187 6.815 -1.004 1.00 1.80 H new ATOM 0 HG21 ILE A 32 -2.033 6.156 -2.409 1.00 1.75 H new ATOM 0 HG22 ILE A 32 -2.247 6.957 -3.984 1.00 1.75 H new ATOM 0 HG23 ILE A 32 -1.139 5.573 -3.832 1.00 1.75 H new ATOM 0 HD11 ILE A 32 1.448 4.789 -1.648 1.00 2.50 H new ATOM 0 HD12 ILE A 32 -0.200 4.736 -2.319 1.00 2.50 H new ATOM 0 HD13 ILE A 32 1.176 5.156 -3.368 1.00 2.50 H new ATOM 485 N LEU A 33 -0.449 7.542 -6.554 1.00 0.64 N ATOM 486 CA LEU A 33 -1.302 7.739 -7.713 1.00 0.74 C ATOM 487 C LEU A 33 -2.546 6.862 -7.577 1.00 0.68 C ATOM 488 O LEU A 33 -3.638 7.296 -7.938 1.00 0.76 O ATOM 489 CB LEU A 33 -0.525 7.444 -9.004 1.00 0.93 C ATOM 490 CG LEU A 33 0.710 8.347 -9.184 1.00 1.05 C ATOM 491 CD1 LEU A 33 1.535 7.841 -10.370 1.00 1.73 C ATOM 492 CD2 LEU A 33 0.331 9.814 -9.423 1.00 1.17 C ATOM 0 H LEU A 33 0.276 6.838 -6.695 1.00 0.64 H new ATOM 0 HA LEU A 33 -1.624 8.779 -7.766 1.00 0.74 H new ATOM 0 HB2 LEU A 33 -0.208 6.401 -9.000 1.00 0.93 H new ATOM 0 HB3 LEU A 33 -1.189 7.572 -9.859 1.00 0.93 H new ATOM 0 HG LEU A 33 1.288 8.302 -8.261 1.00 1.05 H new ATOM 0 HD11 LEU A 33 2.411 8.477 -10.502 1.00 1.73 H new ATOM 0 HD12 LEU A 33 1.856 6.817 -10.180 1.00 1.73 H new ATOM 0 HD13 LEU A 33 0.927 7.869 -11.274 1.00 1.73 H new ATOM 0 HD21 LEU A 33 1.236 10.409 -9.544 1.00 1.17 H new ATOM 0 HD22 LEU A 33 -0.276 9.891 -10.325 1.00 1.17 H new ATOM 0 HD23 LEU A 33 -0.237 10.187 -8.571 1.00 1.17 H new ATOM 504 N TYR A 34 -2.401 5.641 -7.045 1.00 0.59 N ATOM 505 CA TYR A 34 -3.548 4.814 -6.694 1.00 0.62 C ATOM 506 C TYR A 34 -3.179 3.804 -5.602 1.00 0.55 C ATOM 507 O TYR A 34 -1.997 3.546 -5.383 1.00 0.59 O ATOM 508 CB TYR A 34 -4.121 4.134 -7.950 1.00 0.70 C ATOM 509 CG TYR A 34 -5.550 3.677 -7.756 1.00 0.91 C ATOM 510 CD1 TYR A 34 -6.573 4.641 -7.686 1.00 2.49 C ATOM 511 CD2 TYR A 34 -5.796 2.370 -7.304 1.00 1.77 C ATOM 512 CE1 TYR A 34 -7.788 4.332 -7.051 1.00 2.89 C ATOM 513 CE2 TYR A 34 -6.970 2.097 -6.587 1.00 2.04 C ATOM 514 CZ TYR A 34 -7.963 3.077 -6.448 1.00 2.01 C ATOM 515 OH TYR A 34 -9.049 2.846 -5.659 1.00 2.70 O ATOM 0 H TYR A 34 -1.497 5.210 -6.851 1.00 0.59 H new ATOM 0 HA TYR A 34 -4.331 5.451 -6.283 1.00 0.62 H new ATOM 0 HB2 TYR A 34 -4.075 4.828 -8.789 1.00 0.70 H new ATOM 0 HB3 TYR A 34 -3.500 3.277 -8.211 1.00 0.70 H new ATOM 0 HD1 TYR A 34 -6.424 5.619 -8.120 1.00 2.49 H new ATOM 0 HD2 TYR A 34 -5.087 1.581 -7.507 1.00 1.77 H new ATOM 0 HE1 TYR A 34 -8.586 5.059 -7.027 1.00 2.89 H new ATOM 0 HE2 TYR A 34 -7.110 1.125 -6.139 1.00 2.04 H new ATOM 0 HH TYR A 34 -9.018 1.927 -5.321 1.00 2.70 H new ATOM 525 N CYS A 35 -4.188 3.241 -4.927 1.00 0.53 N ATOM 526 CA CYS A 35 -4.072 2.249 -3.862 1.00 0.50 C ATOM 527 C CYS A 35 -5.251 1.274 -3.959 1.00 0.57 C ATOM 528 O CYS A 35 -6.347 1.589 -3.507 1.00 1.07 O ATOM 529 CB CYS A 35 -4.052 2.970 -2.511 1.00 0.56 C ATOM 530 SG CYS A 35 -3.666 1.752 -1.241 1.00 1.91 S ATOM 0 H CYS A 35 -5.160 3.482 -5.123 1.00 0.53 H new ATOM 0 HA CYS A 35 -3.148 1.680 -3.961 1.00 0.50 H new ATOM 0 HB2 CYS A 35 -3.308 3.767 -2.514 1.00 0.56 H new ATOM 0 HB3 CYS A 35 -5.017 3.436 -2.312 1.00 0.56 H new ATOM 0 HG CYS A 35 -3.430 2.358 -0.116 1.00 1.91 H new ATOM 536 N SER A 36 -5.043 0.126 -4.615 1.00 0.48 N ATOM 537 CA SER A 36 -5.982 -0.990 -4.700 1.00 0.61 C ATOM 538 C SER A 36 -5.544 -2.038 -3.682 1.00 0.47 C ATOM 539 O SER A 36 -4.627 -2.811 -3.970 1.00 0.49 O ATOM 540 CB SER A 36 -5.931 -1.644 -6.093 1.00 0.97 C ATOM 541 OG SER A 36 -6.421 -0.830 -7.136 1.00 1.96 O ATOM 0 H SER A 36 -4.177 -0.054 -5.122 1.00 0.48 H new ATOM 0 HA SER A 36 -6.992 -0.625 -4.512 1.00 0.61 H new ATOM 0 HB2 SER A 36 -4.900 -1.917 -6.315 1.00 0.97 H new ATOM 0 HB3 SER A 36 -6.507 -2.569 -6.068 1.00 0.97 H new ATOM 0 HG SER A 36 -6.162 0.101 -6.973 1.00 1.96 H new ATOM 547 N VAL A 37 -6.177 -2.094 -2.512 1.00 0.46 N ATOM 548 CA VAL A 37 -5.831 -3.086 -1.510 1.00 0.44 C ATOM 549 C VAL A 37 -6.674 -4.337 -1.728 1.00 0.62 C ATOM 550 O VAL A 37 -7.771 -4.504 -1.194 1.00 0.79 O ATOM 551 CB VAL A 37 -5.853 -2.488 -0.097 1.00 0.55 C ATOM 552 CG1 VAL A 37 -5.361 -3.523 0.909 1.00 1.48 C ATOM 553 CG2 VAL A 37 -4.883 -1.305 -0.030 1.00 1.90 C ATOM 0 H VAL A 37 -6.930 -1.463 -2.240 1.00 0.46 H new ATOM 0 HA VAL A 37 -4.796 -3.410 -1.623 1.00 0.44 H new ATOM 0 HB VAL A 37 -6.872 -2.177 0.131 1.00 0.55 H new ATOM 0 HG11 VAL A 37 -5.378 -3.094 1.911 1.00 1.48 H new ATOM 0 HG12 VAL A 37 -6.010 -4.398 0.878 1.00 1.48 H new ATOM 0 HG13 VAL A 37 -4.342 -3.818 0.658 1.00 1.48 H new ATOM 0 HG21 VAL A 37 -4.897 -0.879 0.973 1.00 1.90 H new ATOM 0 HG22 VAL A 37 -3.875 -1.647 -0.264 1.00 1.90 H new ATOM 0 HG23 VAL A 37 -5.185 -0.545 -0.751 1.00 1.90 H new ATOM 563 N ALA A 38 -6.105 -5.261 -2.501 1.00 0.75 N ATOM 564 CA ALA A 38 -6.700 -6.536 -2.818 1.00 0.98 C ATOM 565 C ALA A 38 -6.538 -7.433 -1.597 1.00 0.80 C ATOM 566 O ALA A 38 -5.644 -8.277 -1.531 1.00 0.72 O ATOM 567 CB ALA A 38 -6.018 -7.127 -4.055 1.00 1.28 C ATOM 0 H ALA A 38 -5.190 -5.128 -2.931 1.00 0.75 H new ATOM 0 HA ALA A 38 -7.760 -6.436 -3.052 1.00 0.98 H new ATOM 0 HB1 ALA A 38 -6.469 -8.090 -4.293 1.00 1.28 H new ATOM 0 HB2 ALA A 38 -6.144 -6.449 -4.899 1.00 1.28 H new ATOM 0 HB3 ALA A 38 -4.955 -7.263 -3.854 1.00 1.28 H new ATOM 573 N LEU A 39 -7.457 -7.254 -0.645 1.00 0.85 N ATOM 574 CA LEU A 39 -7.747 -8.165 0.455 1.00 0.81 C ATOM 575 C LEU A 39 -7.640 -9.618 -0.014 1.00 0.74 C ATOM 576 O LEU A 39 -7.009 -10.437 0.647 1.00 0.70 O ATOM 577 CB LEU A 39 -9.151 -7.818 0.979 1.00 1.17 C ATOM 578 CG LEU A 39 -9.643 -8.525 2.255 1.00 1.18 C ATOM 579 CD1 LEU A 39 -10.074 -9.980 2.032 1.00 2.59 C ATOM 580 CD2 LEU A 39 -8.641 -8.434 3.409 1.00 2.12 C ATOM 0 H LEU A 39 -8.049 -6.423 -0.624 1.00 0.85 H new ATOM 0 HA LEU A 39 -7.024 -8.054 1.264 1.00 0.81 H new ATOM 0 HB2 LEU A 39 -9.184 -6.744 1.159 1.00 1.17 H new ATOM 0 HB3 LEU A 39 -9.866 -8.030 0.184 1.00 1.17 H new ATOM 0 HG LEU A 39 -10.537 -7.970 2.539 1.00 1.18 H new ATOM 0 HD11 LEU A 39 -10.407 -10.410 2.977 1.00 2.59 H new ATOM 0 HD12 LEU A 39 -10.891 -10.011 1.311 1.00 2.59 H new ATOM 0 HD13 LEU A 39 -9.230 -10.555 1.650 1.00 2.59 H new ATOM 0 HD21 LEU A 39 -9.043 -8.950 4.281 1.00 2.12 H new ATOM 0 HD22 LEU A 39 -7.701 -8.900 3.112 1.00 2.12 H new ATOM 0 HD23 LEU A 39 -8.465 -7.387 3.656 1.00 2.12 H new ATOM 592 N ALA A 40 -8.198 -9.913 -1.193 1.00 0.83 N ATOM 593 CA ALA A 40 -8.208 -11.243 -1.793 1.00 0.88 C ATOM 594 C ALA A 40 -6.819 -11.884 -1.854 1.00 0.79 C ATOM 595 O ALA A 40 -6.704 -13.104 -1.779 1.00 0.84 O ATOM 596 CB ALA A 40 -8.791 -11.153 -3.204 1.00 1.08 C ATOM 0 H ALA A 40 -8.666 -9.212 -1.768 1.00 0.83 H new ATOM 0 HA ALA A 40 -8.823 -11.880 -1.157 1.00 0.88 H new ATOM 0 HB1 ALA A 40 -8.801 -12.144 -3.657 1.00 1.08 H new ATOM 0 HB2 ALA A 40 -9.809 -10.767 -3.153 1.00 1.08 H new ATOM 0 HB3 ALA A 40 -8.179 -10.484 -3.809 1.00 1.08 H new ATOM 602 N THR A 41 -5.776 -11.070 -2.032 1.00 0.76 N ATOM 603 CA THR A 41 -4.389 -11.511 -2.097 1.00 0.79 C ATOM 604 C THR A 41 -3.562 -10.833 -0.994 1.00 0.71 C ATOM 605 O THR A 41 -2.340 -10.770 -1.094 1.00 0.84 O ATOM 606 CB THR A 41 -3.850 -11.235 -3.512 1.00 1.02 C ATOM 607 OG1 THR A 41 -4.351 -10.005 -3.997 1.00 1.55 O ATOM 608 CG2 THR A 41 -4.301 -12.332 -4.482 1.00 2.53 C ATOM 0 H THR A 41 -5.880 -10.061 -2.137 1.00 0.76 H new ATOM 0 HA THR A 41 -4.315 -12.583 -1.915 1.00 0.79 H new ATOM 0 HB THR A 41 -2.762 -11.207 -3.450 1.00 1.02 H new ATOM 0 HG1 THR A 41 -4.425 -10.044 -4.973 1.00 1.55 H new ATOM 0 HG21 THR A 41 -3.911 -12.120 -5.477 1.00 2.53 H new ATOM 0 HG22 THR A 41 -3.924 -13.296 -4.142 1.00 2.53 H new ATOM 0 HG23 THR A 41 -5.390 -12.361 -4.518 1.00 2.53 H new ATOM 616 N ASN A 42 -4.229 -10.333 0.056 1.00 0.59 N ATOM 617 CA ASN A 42 -3.676 -9.486 1.110 1.00 0.57 C ATOM 618 C ASN A 42 -2.597 -8.544 0.566 1.00 0.56 C ATOM 619 O ASN A 42 -1.461 -8.564 1.037 1.00 0.60 O ATOM 620 CB ASN A 42 -3.154 -10.322 2.293 1.00 0.79 C ATOM 621 CG ASN A 42 -4.260 -11.022 3.080 1.00 0.91 C ATOM 622 OD1 ASN A 42 -4.947 -11.888 2.552 1.00 2.23 O ATOM 623 ND2 ASN A 42 -4.440 -10.682 4.357 1.00 1.19 N ATOM 0 H ASN A 42 -5.222 -10.522 0.196 1.00 0.59 H new ATOM 0 HA ASN A 42 -4.489 -8.865 1.487 1.00 0.57 H new ATOM 0 HB2 ASN A 42 -2.456 -11.071 1.918 1.00 0.79 H new ATOM 0 HB3 ASN A 42 -2.594 -9.673 2.967 1.00 0.79 H new ATOM 0 HD21 ASN A 42 -5.160 -11.146 4.912 1.00 1.19 H new ATOM 0 HD22 ASN A 42 -3.858 -9.958 4.779 1.00 1.19 H new ATOM 630 N LYS A 43 -2.937 -7.727 -0.438 1.00 0.56 N ATOM 631 CA LYS A 43 -1.936 -6.987 -1.201 1.00 0.52 C ATOM 632 C LYS A 43 -2.403 -5.571 -1.534 1.00 0.46 C ATOM 633 O LYS A 43 -3.440 -5.395 -2.166 1.00 0.62 O ATOM 634 CB LYS A 43 -1.594 -7.808 -2.449 1.00 0.54 C ATOM 635 CG LYS A 43 -0.829 -7.049 -3.549 1.00 0.71 C ATOM 636 CD LYS A 43 -1.740 -6.759 -4.750 1.00 0.91 C ATOM 637 CE LYS A 43 -2.093 -8.016 -5.555 1.00 1.00 C ATOM 638 NZ LYS A 43 -0.935 -8.586 -6.269 1.00 1.60 N ATOM 0 H LYS A 43 -3.898 -7.564 -0.738 1.00 0.56 H new ATOM 0 HA LYS A 43 -1.035 -6.851 -0.603 1.00 0.52 H new ATOM 0 HB2 LYS A 43 -1.000 -8.670 -2.145 1.00 0.54 H new ATOM 0 HB3 LYS A 43 -2.520 -8.194 -2.874 1.00 0.54 H new ATOM 0 HG2 LYS A 43 -0.441 -6.113 -3.148 1.00 0.71 H new ATOM 0 HG3 LYS A 43 0.030 -7.637 -3.873 1.00 0.71 H new ATOM 0 HD2 LYS A 43 -2.659 -6.291 -4.397 1.00 0.91 H new ATOM 0 HD3 LYS A 43 -1.248 -6.041 -5.406 1.00 0.91 H new ATOM 0 HE2 LYS A 43 -2.504 -8.768 -4.882 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -2.873 -7.772 -6.276 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -1.020 -9.622 -6.298 1.00 1.60 H new ATOM 0 HZ2 LYS A 43 -0.908 -8.214 -7.240 1.00 1.60 H new ATOM 0 HZ3 LYS A 43 -0.059 -8.325 -5.774 1.00 1.60 H new ATOM 652 N ALA A 44 -1.598 -4.568 -1.169 1.00 0.60 N ATOM 653 CA ALA A 44 -1.733 -3.205 -1.655 1.00 0.54 C ATOM 654 C ALA A 44 -1.062 -3.144 -3.019 1.00 0.49 C ATOM 655 O ALA A 44 0.155 -2.996 -3.077 1.00 0.62 O ATOM 656 CB ALA A 44 -1.106 -2.198 -0.672 1.00 0.59 C ATOM 0 H ALA A 44 -0.824 -4.690 -0.516 1.00 0.60 H new ATOM 0 HA ALA A 44 -2.785 -2.932 -1.740 1.00 0.54 H new ATOM 0 HB1 ALA A 44 -1.223 -1.187 -1.063 1.00 0.59 H new ATOM 0 HB2 ALA A 44 -1.605 -2.273 0.294 1.00 0.59 H new ATOM 0 HB3 ALA A 44 -0.046 -2.420 -0.551 1.00 0.59 H new ATOM 662 N HIS A 45 -1.841 -3.222 -4.104 1.00 0.45 N ATOM 663 CA HIS A 45 -1.368 -2.746 -5.395 1.00 0.49 C ATOM 664 C HIS A 45 -1.487 -1.247 -5.319 1.00 0.39 C ATOM 665 O HIS A 45 -2.550 -0.672 -5.537 1.00 0.43 O ATOM 666 CB HIS A 45 -2.120 -3.355 -6.583 1.00 0.67 C ATOM 667 CG HIS A 45 -1.605 -2.879 -7.920 1.00 0.72 C ATOM 668 ND1 HIS A 45 -0.921 -3.620 -8.857 1.00 1.09 N ATOM 669 CD2 HIS A 45 -1.693 -1.604 -8.407 1.00 0.56 C ATOM 670 CE1 HIS A 45 -0.635 -2.813 -9.887 1.00 1.03 C ATOM 671 NE2 HIS A 45 -1.088 -1.569 -9.666 1.00 0.74 N ATOM 0 H HIS A 45 -2.786 -3.605 -4.109 1.00 0.45 H new ATOM 0 HA HIS A 45 -0.340 -3.057 -5.582 1.00 0.49 H new ATOM 0 HB2 HIS A 45 -2.041 -4.441 -6.536 1.00 0.67 H new ATOM 0 HB3 HIS A 45 -3.178 -3.108 -6.500 1.00 0.67 H new ATOM 0 HD1 HIS A 45 -0.676 -4.607 -8.781 1.00 1.09 H new ATOM 0 HD2 HIS A 45 -2.152 -0.766 -7.904 1.00 0.56 H new ATOM 0 HE1 HIS A 45 -0.109 -3.123 -10.778 1.00 1.03 H new ATOM 679 N ILE A 46 -0.366 -0.629 -4.981 1.00 0.47 N ATOM 680 CA ILE A 46 -0.215 0.793 -5.083 1.00 0.38 C ATOM 681 C ILE A 46 0.339 1.108 -6.460 1.00 0.42 C ATOM 682 O ILE A 46 1.045 0.301 -7.064 1.00 0.78 O ATOM 683 CB ILE A 46 0.633 1.270 -3.902 1.00 0.45 C ATOM 684 CG1 ILE A 46 -0.365 1.363 -2.739 1.00 0.91 C ATOM 685 CG2 ILE A 46 1.329 2.605 -4.169 1.00 0.59 C ATOM 686 CD1 ILE A 46 0.305 1.497 -1.384 1.00 1.23 C ATOM 0 H ILE A 46 0.461 -1.111 -4.628 1.00 0.47 H new ATOM 0 HA ILE A 46 -1.155 1.339 -5.008 1.00 0.38 H new ATOM 0 HB ILE A 46 1.456 0.586 -3.694 1.00 0.45 H new ATOM 0 HG12 ILE A 46 -1.020 2.219 -2.899 1.00 0.91 H new ATOM 0 HG13 ILE A 46 -0.996 0.474 -2.739 1.00 0.91 H new ATOM 0 HG21 ILE A 46 1.915 2.891 -3.296 1.00 0.59 H new ATOM 0 HG22 ILE A 46 1.988 2.506 -5.031 1.00 0.59 H new ATOM 0 HG23 ILE A 46 0.581 3.372 -4.371 1.00 0.59 H new ATOM 0 HD11 ILE A 46 -0.456 1.558 -0.606 1.00 1.23 H new ATOM 0 HD12 ILE A 46 0.939 0.629 -1.204 1.00 1.23 H new ATOM 0 HD13 ILE A 46 0.914 2.401 -1.367 1.00 1.23 H new ATOM 698 N LYS A 47 -0.025 2.285 -6.954 1.00 0.46 N ATOM 699 CA LYS A 47 0.594 2.908 -8.095 1.00 0.47 C ATOM 700 C LYS A 47 1.119 4.250 -7.590 1.00 0.45 C ATOM 701 O LYS A 47 0.407 4.944 -6.860 1.00 0.64 O ATOM 702 CB LYS A 47 -0.437 3.079 -9.205 1.00 0.55 C ATOM 703 CG LYS A 47 -0.925 1.735 -9.751 1.00 0.62 C ATOM 704 CD LYS A 47 -1.843 1.972 -10.956 1.00 1.18 C ATOM 705 CE LYS A 47 -2.369 0.635 -11.492 1.00 1.99 C ATOM 706 NZ LYS A 47 -3.263 0.811 -12.653 1.00 3.06 N ATOM 0 H LYS A 47 -0.781 2.840 -6.554 1.00 0.46 H new ATOM 0 HA LYS A 47 1.405 2.314 -8.515 1.00 0.47 H new ATOM 0 HB2 LYS A 47 -1.287 3.645 -8.825 1.00 0.55 H new ATOM 0 HB3 LYS A 47 -0.002 3.663 -10.016 1.00 0.55 H new ATOM 0 HG2 LYS A 47 -0.074 1.120 -10.045 1.00 0.62 H new ATOM 0 HG3 LYS A 47 -1.461 1.189 -8.975 1.00 0.62 H new ATOM 0 HD2 LYS A 47 -2.678 2.610 -10.666 1.00 1.18 H new ATOM 0 HD3 LYS A 47 -1.298 2.497 -11.740 1.00 1.18 H new ATOM 0 HE2 LYS A 47 -1.527 0.004 -11.777 1.00 1.99 H new ATOM 0 HE3 LYS A 47 -2.905 0.114 -10.699 1.00 1.99 H new ATOM 0 HZ1 LYS A 47 -3.594 -0.119 -12.981 1.00 3.06 H new ATOM 0 HZ2 LYS A 47 -4.081 1.391 -12.377 1.00 3.06 H new ATOM 0 HZ3 LYS A 47 -2.746 1.285 -13.421 1.00 3.06 H new ATOM 720 N TYR A 48 2.359 4.592 -7.929 1.00 0.55 N ATOM 721 CA TYR A 48 3.070 5.749 -7.402 1.00 0.56 C ATOM 722 C TYR A 48 4.142 6.123 -8.423 1.00 0.61 C ATOM 723 O TYR A 48 4.496 5.271 -9.237 1.00 0.82 O ATOM 724 CB TYR A 48 3.702 5.406 -6.040 1.00 0.68 C ATOM 725 CG TYR A 48 4.982 4.579 -6.084 1.00 0.77 C ATOM 726 CD1 TYR A 48 5.025 3.339 -6.753 1.00 2.25 C ATOM 727 CD2 TYR A 48 6.159 5.082 -5.499 1.00 2.02 C ATOM 728 CE1 TYR A 48 6.251 2.674 -6.933 1.00 2.42 C ATOM 729 CE2 TYR A 48 7.355 4.352 -5.570 1.00 2.01 C ATOM 730 CZ TYR A 48 7.413 3.170 -6.321 1.00 1.16 C ATOM 731 OH TYR A 48 8.587 2.485 -6.416 1.00 1.35 O ATOM 0 H TYR A 48 2.911 4.055 -8.598 1.00 0.55 H new ATOM 0 HA TYR A 48 2.392 6.588 -7.243 1.00 0.56 H new ATOM 0 HB2 TYR A 48 3.913 6.338 -5.515 1.00 0.68 H new ATOM 0 HB3 TYR A 48 2.965 4.866 -5.446 1.00 0.68 H new ATOM 0 HD1 TYR A 48 4.113 2.898 -7.129 1.00 2.25 H new ATOM 0 HD2 TYR A 48 6.141 6.036 -4.992 1.00 2.02 H new ATOM 0 HE1 TYR A 48 6.299 1.783 -7.541 1.00 2.42 H new ATOM 0 HE2 TYR A 48 8.232 4.701 -5.045 1.00 2.01 H new ATOM 0 HH TYR A 48 9.289 2.971 -5.935 1.00 1.35 H new ATOM 741 N ASP A 49 4.686 7.340 -8.374 1.00 0.69 N ATOM 742 CA ASP A 49 5.960 7.617 -9.029 1.00 0.80 C ATOM 743 C ASP A 49 7.044 7.562 -7.947 1.00 0.65 C ATOM 744 O ASP A 49 6.799 7.998 -6.823 1.00 0.81 O ATOM 745 CB ASP A 49 5.930 8.980 -9.726 1.00 1.19 C ATOM 746 CG ASP A 49 5.716 10.088 -8.732 1.00 2.69 C ATOM 747 OD1 ASP A 49 4.540 10.309 -8.379 1.00 3.63 O ATOM 748 OD2 ASP A 49 6.755 10.660 -8.336 1.00 4.15 O ATOM 0 H ASP A 49 4.269 8.138 -7.894 1.00 0.69 H new ATOM 0 HA ASP A 49 6.166 6.880 -9.805 1.00 0.80 H new ATOM 0 HB2 ASP A 49 6.867 9.141 -10.259 1.00 1.19 H new ATOM 0 HB3 ASP A 49 5.133 8.995 -10.470 1.00 1.19 H new ATOM 753 N PRO A 50 8.229 7.008 -8.243 1.00 0.68 N ATOM 754 CA PRO A 50 9.319 6.939 -7.282 1.00 0.71 C ATOM 755 C PRO A 50 9.920 8.321 -7.010 1.00 0.81 C ATOM 756 O PRO A 50 10.559 8.521 -5.979 1.00 1.71 O ATOM 757 CB PRO A 50 10.342 5.987 -7.908 1.00 0.87 C ATOM 758 CG PRO A 50 10.126 6.180 -9.409 1.00 1.05 C ATOM 759 CD PRO A 50 8.619 6.418 -9.514 1.00 0.97 C ATOM 0 HA PRO A 50 8.980 6.581 -6.310 1.00 0.71 H new ATOM 0 HB2 PRO A 50 11.360 6.239 -7.612 1.00 0.87 H new ATOM 0 HB3 PRO A 50 10.169 4.954 -7.606 1.00 0.87 H new ATOM 0 HG2 PRO A 50 10.696 7.026 -9.793 1.00 1.05 H new ATOM 0 HG3 PRO A 50 10.436 5.303 -9.977 1.00 1.05 H new ATOM 0 HD2 PRO A 50 8.384 7.084 -10.344 1.00 0.97 H new ATOM 0 HD3 PRO A 50 8.086 5.484 -9.693 1.00 0.97 H new ATOM 767 N GLU A 51 9.746 9.262 -7.941 1.00 0.81 N ATOM 768 CA GLU A 51 10.385 10.562 -7.898 1.00 0.92 C ATOM 769 C GLU A 51 9.893 11.380 -6.703 1.00 0.86 C ATOM 770 O GLU A 51 10.704 11.933 -5.961 1.00 1.29 O ATOM 771 CB GLU A 51 10.134 11.298 -9.223 1.00 1.14 C ATOM 772 CG GLU A 51 10.571 10.494 -10.460 1.00 1.72 C ATOM 773 CD GLU A 51 12.052 10.139 -10.432 1.00 2.86 C ATOM 774 OE1 GLU A 51 12.859 11.091 -10.370 1.00 3.52 O ATOM 775 OE2 GLU A 51 12.348 8.926 -10.481 1.00 4.06 O ATOM 0 H GLU A 51 9.146 9.131 -8.755 1.00 0.81 H new ATOM 0 HA GLU A 51 11.459 10.426 -7.770 1.00 0.92 H new ATOM 0 HB2 GLU A 51 9.072 11.530 -9.306 1.00 1.14 H new ATOM 0 HB3 GLU A 51 10.668 12.248 -9.209 1.00 1.14 H new ATOM 0 HG2 GLU A 51 9.982 9.579 -10.521 1.00 1.72 H new ATOM 0 HG3 GLU A 51 10.356 11.071 -11.359 1.00 1.72 H new ATOM 782 N ILE A 52 8.572 11.499 -6.528 1.00 0.81 N ATOM 783 CA ILE A 52 7.989 12.399 -5.547 1.00 0.96 C ATOM 784 C ILE A 52 7.661 11.685 -4.244 1.00 0.88 C ATOM 785 O ILE A 52 7.363 12.348 -3.251 1.00 1.16 O ATOM 786 CB ILE A 52 6.781 13.146 -6.132 1.00 1.19 C ATOM 787 CG1 ILE A 52 5.459 12.366 -6.132 1.00 1.72 C ATOM 788 CG2 ILE A 52 7.171 13.804 -7.464 1.00 1.76 C ATOM 789 CD1 ILE A 52 4.445 12.969 -7.113 1.00 2.42 C ATOM 0 H ILE A 52 7.884 10.971 -7.066 1.00 0.81 H new ATOM 0 HA ILE A 52 8.739 13.150 -5.298 1.00 0.96 H new ATOM 0 HB ILE A 52 6.527 13.950 -5.441 1.00 1.19 H new ATOM 0 HG12 ILE A 52 5.650 11.326 -6.399 1.00 1.72 H new ATOM 0 HG13 ILE A 52 5.037 12.365 -5.127 1.00 1.72 H new ATOM 0 HG21 ILE A 52 6.311 14.332 -7.874 1.00 1.76 H new ATOM 0 HG22 ILE A 52 7.984 14.510 -7.297 1.00 1.76 H new ATOM 0 HG23 ILE A 52 7.495 13.037 -8.167 1.00 1.76 H new ATOM 0 HD11 ILE A 52 3.522 12.390 -7.084 1.00 2.42 H new ATOM 0 HD12 ILE A 52 4.235 14.001 -6.831 1.00 2.42 H new ATOM 0 HD13 ILE A 52 4.857 12.946 -8.122 1.00 2.42 H new ATOM 801 N ILE A 53 7.714 10.351 -4.227 1.00 0.72 N ATOM 802 CA ILE A 53 7.554 9.596 -3.003 1.00 0.64 C ATOM 803 C ILE A 53 8.335 8.290 -3.110 1.00 0.92 C ATOM 804 O ILE A 53 8.223 7.576 -4.104 1.00 2.39 O ATOM 805 CB ILE A 53 6.056 9.404 -2.704 1.00 0.54 C ATOM 806 CG1 ILE A 53 5.892 9.164 -1.209 1.00 0.79 C ATOM 807 CG2 ILE A 53 5.396 8.310 -3.545 1.00 0.90 C ATOM 808 CD1 ILE A 53 4.424 9.133 -0.804 1.00 1.11 C ATOM 0 H ILE A 53 7.868 9.778 -5.057 1.00 0.72 H new ATOM 0 HA ILE A 53 7.967 10.137 -2.152 1.00 0.64 H new ATOM 0 HB ILE A 53 5.529 10.313 -2.993 1.00 0.54 H new ATOM 0 HG12 ILE A 53 6.365 8.220 -0.937 1.00 0.79 H new ATOM 0 HG13 ILE A 53 6.406 9.949 -0.655 1.00 0.79 H new ATOM 0 HG21 ILE A 53 4.342 8.233 -3.279 1.00 0.90 H new ATOM 0 HG22 ILE A 53 5.486 8.560 -4.602 1.00 0.90 H new ATOM 0 HG23 ILE A 53 5.889 7.357 -3.354 1.00 0.90 H new ATOM 0 HD11 ILE A 53 4.346 8.960 0.269 1.00 1.11 H new ATOM 0 HD12 ILE A 53 3.958 10.086 -1.052 1.00 1.11 H new ATOM 0 HD13 ILE A 53 3.916 8.331 -1.339 1.00 1.11 H new ATOM 820 N GLY A 54 9.139 7.969 -2.098 1.00 0.76 N ATOM 821 CA GLY A 54 9.833 6.698 -2.073 1.00 0.59 C ATOM 822 C GLY A 54 8.835 5.587 -1.742 1.00 0.47 C ATOM 823 O GLY A 54 7.818 5.827 -1.087 1.00 0.56 O ATOM 0 H GLY A 54 9.320 8.571 -1.294 1.00 0.76 H new ATOM 0 HA2 GLY A 54 10.301 6.507 -3.038 1.00 0.59 H new ATOM 0 HA3 GLY A 54 10.631 6.720 -1.330 1.00 0.59 H new ATOM 827 N PRO A 55 9.105 4.345 -2.169 1.00 0.47 N ATOM 828 CA PRO A 55 8.263 3.219 -1.812 1.00 0.58 C ATOM 829 C PRO A 55 8.318 3.005 -0.297 1.00 0.56 C ATOM 830 O PRO A 55 7.297 2.728 0.333 1.00 0.56 O ATOM 831 CB PRO A 55 8.820 2.030 -2.600 1.00 0.75 C ATOM 832 CG PRO A 55 10.290 2.389 -2.826 1.00 0.63 C ATOM 833 CD PRO A 55 10.280 3.917 -2.911 1.00 0.49 C ATOM 0 HA PRO A 55 7.212 3.369 -2.057 1.00 0.58 H new ATOM 0 HB2 PRO A 55 8.718 1.099 -2.042 1.00 0.75 H new ATOM 0 HB3 PRO A 55 8.293 1.895 -3.544 1.00 0.75 H new ATOM 0 HG2 PRO A 55 10.919 2.037 -2.008 1.00 0.63 H new ATOM 0 HG3 PRO A 55 10.676 1.939 -3.741 1.00 0.63 H new ATOM 0 HD2 PRO A 55 11.189 4.339 -2.482 1.00 0.49 H new ATOM 0 HD3 PRO A 55 10.232 4.251 -3.947 1.00 0.49 H new ATOM 841 N ARG A 56 9.511 3.142 0.296 1.00 0.62 N ATOM 842 CA ARG A 56 9.695 2.937 1.723 1.00 0.76 C ATOM 843 C ARG A 56 8.815 3.891 2.538 1.00 0.61 C ATOM 844 O ARG A 56 8.274 3.485 3.559 1.00 0.59 O ATOM 845 CB ARG A 56 11.181 2.974 2.117 1.00 1.15 C ATOM 846 CG ARG A 56 11.398 2.454 3.550 1.00 2.28 C ATOM 847 CD ARG A 56 11.305 0.927 3.713 1.00 3.91 C ATOM 848 NE ARG A 56 10.883 0.549 5.081 1.00 5.28 N ATOM 849 CZ ARG A 56 10.303 -0.628 5.386 1.00 6.88 C ATOM 850 NH1 ARG A 56 10.326 -1.627 4.498 1.00 7.55 N ATOM 851 NH2 ARG A 56 9.684 -0.831 6.548 1.00 8.24 N ATOM 0 H ARG A 56 10.364 3.396 -0.202 1.00 0.62 H new ATOM 0 HA ARG A 56 9.356 1.931 1.971 1.00 0.76 H new ATOM 0 HB2 ARG A 56 11.759 2.369 1.418 1.00 1.15 H new ATOM 0 HB3 ARG A 56 11.554 3.995 2.039 1.00 1.15 H new ATOM 0 HG2 ARG A 56 12.379 2.781 3.893 1.00 2.28 H new ATOM 0 HG3 ARG A 56 10.660 2.919 4.204 1.00 2.28 H new ATOM 0 HD2 ARG A 56 10.596 0.526 2.989 1.00 3.91 H new ATOM 0 HD3 ARG A 56 12.273 0.478 3.493 1.00 3.91 H new ATOM 0 HE ARG A 56 11.040 1.218 5.835 1.00 5.28 H new ATOM 0 HH11 ARG A 56 10.781 -1.496 3.595 1.00 7.55 H new ATOM 0 HH12 ARG A 56 9.888 -2.520 4.724 1.00 7.55 H new ATOM 0 HH21 ARG A 56 9.639 -0.082 7.239 1.00 8.24 H new ATOM 0 HH22 ARG A 56 9.255 -1.735 6.746 1.00 8.24 H new ATOM 865 N ASP A 57 8.653 5.138 2.101 1.00 0.62 N ATOM 866 CA ASP A 57 7.817 6.148 2.737 1.00 0.67 C ATOM 867 C ASP A 57 6.407 5.587 2.962 1.00 0.62 C ATOM 868 O ASP A 57 5.859 5.604 4.070 1.00 0.69 O ATOM 869 CB ASP A 57 7.730 7.420 1.859 1.00 0.76 C ATOM 870 CG ASP A 57 8.988 7.852 1.100 1.00 2.24 C ATOM 871 OD1 ASP A 57 9.988 7.098 1.114 1.00 3.51 O ATOM 872 OD2 ASP A 57 8.902 8.908 0.436 1.00 3.08 O ATOM 0 H ASP A 57 9.119 5.484 1.262 1.00 0.62 H new ATOM 0 HA ASP A 57 8.266 6.413 3.694 1.00 0.67 H new ATOM 0 HB2 ASP A 57 6.934 7.270 1.130 1.00 0.76 H new ATOM 0 HB3 ASP A 57 7.424 8.248 2.499 1.00 0.76 H new ATOM 877 N ILE A 58 5.823 5.074 1.876 1.00 0.57 N ATOM 878 CA ILE A 58 4.515 4.442 1.900 1.00 0.61 C ATOM 879 C ILE A 58 4.572 3.217 2.801 1.00 0.55 C ATOM 880 O ILE A 58 3.748 3.080 3.700 1.00 0.61 O ATOM 881 CB ILE A 58 4.070 4.115 0.464 1.00 0.69 C ATOM 882 CG1 ILE A 58 3.615 5.403 -0.217 1.00 0.85 C ATOM 883 CG2 ILE A 58 2.975 3.050 0.381 1.00 0.72 C ATOM 884 CD1 ILE A 58 4.045 5.370 -1.686 1.00 0.84 C ATOM 0 H ILE A 58 6.254 5.089 0.951 1.00 0.57 H new ATOM 0 HA ILE A 58 3.765 5.116 2.314 1.00 0.61 H new ATOM 0 HB ILE A 58 4.931 3.687 -0.050 1.00 0.69 H new ATOM 0 HG12 ILE A 58 2.532 5.505 -0.144 1.00 0.85 H new ATOM 0 HG13 ILE A 58 4.051 6.268 0.283 1.00 0.85 H new ATOM 0 HG21 ILE A 58 2.716 2.875 -0.663 1.00 0.72 H new ATOM 0 HG22 ILE A 58 3.335 2.122 0.826 1.00 0.72 H new ATOM 0 HG23 ILE A 58 2.093 3.393 0.921 1.00 0.72 H new ATOM 0 HD11 ILE A 58 3.724 6.287 -2.180 1.00 0.84 H new ATOM 0 HD12 ILE A 58 5.130 5.287 -1.746 1.00 0.84 H new ATOM 0 HD13 ILE A 58 3.588 4.513 -2.180 1.00 0.84 H new ATOM 896 N ILE A 59 5.542 2.332 2.569 1.00 0.51 N ATOM 897 CA ILE A 59 5.662 1.095 3.337 1.00 0.56 C ATOM 898 C ILE A 59 5.669 1.370 4.845 1.00 0.49 C ATOM 899 O ILE A 59 4.854 0.791 5.552 1.00 0.49 O ATOM 900 CB ILE A 59 6.877 0.279 2.877 1.00 0.70 C ATOM 901 CG1 ILE A 59 6.613 -0.271 1.466 1.00 0.90 C ATOM 902 CG2 ILE A 59 7.159 -0.885 3.835 1.00 0.88 C ATOM 903 CD1 ILE A 59 7.908 -0.621 0.737 1.00 1.28 C ATOM 0 H ILE A 59 6.258 2.451 1.852 1.00 0.51 H new ATOM 0 HA ILE A 59 4.780 0.485 3.142 1.00 0.56 H new ATOM 0 HB ILE A 59 7.749 0.933 2.870 1.00 0.70 H new ATOM 0 HG12 ILE A 59 5.984 -1.159 1.535 1.00 0.90 H new ATOM 0 HG13 ILE A 59 6.059 0.468 0.887 1.00 0.90 H new ATOM 0 HG21 ILE A 59 8.025 -1.445 3.483 1.00 0.88 H new ATOM 0 HG22 ILE A 59 7.360 -0.495 4.833 1.00 0.88 H new ATOM 0 HG23 ILE A 59 6.292 -1.544 3.872 1.00 0.88 H new ATOM 0 HD11 ILE A 59 7.674 -1.006 -0.256 1.00 1.28 H new ATOM 0 HD12 ILE A 59 8.526 0.272 0.644 1.00 1.28 H new ATOM 0 HD13 ILE A 59 8.450 -1.380 1.302 1.00 1.28 H new ATOM 915 N HIS A 60 6.541 2.264 5.327 1.00 0.53 N ATOM 916 CA HIS A 60 6.597 2.712 6.713 1.00 0.60 C ATOM 917 C HIS A 60 5.202 3.080 7.183 1.00 0.52 C ATOM 918 O HIS A 60 4.759 2.654 8.248 1.00 0.53 O ATOM 919 CB HIS A 60 7.507 3.944 6.861 1.00 0.73 C ATOM 920 CG HIS A 60 8.982 3.669 6.748 1.00 1.35 C ATOM 921 ND1 HIS A 60 9.926 4.509 6.203 1.00 2.28 N ATOM 922 CD2 HIS A 60 9.647 2.620 7.317 1.00 1.56 C ATOM 923 CE1 HIS A 60 11.131 3.950 6.414 1.00 2.96 C ATOM 924 NE2 HIS A 60 11.009 2.765 7.038 1.00 2.56 N ATOM 0 H HIS A 60 7.248 2.706 4.739 1.00 0.53 H new ATOM 0 HA HIS A 60 7.002 1.899 7.315 1.00 0.60 H new ATOM 0 HB2 HIS A 60 7.230 4.673 6.100 1.00 0.73 H new ATOM 0 HB3 HIS A 60 7.313 4.405 7.830 1.00 0.73 H new ATOM 0 HD2 HIS A 60 9.198 1.818 7.884 1.00 1.56 H new ATOM 0 HE1 HIS A 60 12.071 4.394 6.121 1.00 2.96 H new ATOM 0 HE2 HIS A 60 11.756 2.108 7.262 1.00 2.56 H new ATOM 932 N THR A 61 4.511 3.889 6.382 1.00 0.52 N ATOM 933 CA THR A 61 3.197 4.360 6.764 1.00 0.59 C ATOM 934 C THR A 61 2.233 3.166 6.880 1.00 0.45 C ATOM 935 O THR A 61 1.552 3.028 7.894 1.00 0.43 O ATOM 936 CB THR A 61 2.772 5.488 5.815 1.00 0.88 C ATOM 937 OG1 THR A 61 3.775 6.489 5.803 1.00 1.13 O ATOM 938 CG2 THR A 61 1.440 6.116 6.240 1.00 0.99 C ATOM 0 H THR A 61 4.841 4.224 5.477 1.00 0.52 H new ATOM 0 HA THR A 61 3.191 4.810 7.757 1.00 0.59 H new ATOM 0 HB THR A 61 2.642 5.061 4.820 1.00 0.88 H new ATOM 0 HG1 THR A 61 4.508 6.211 5.215 1.00 1.13 H new ATOM 0 HG21 THR A 61 1.174 6.911 5.543 1.00 0.99 H new ATOM 0 HG22 THR A 61 0.661 5.354 6.236 1.00 0.99 H new ATOM 0 HG23 THR A 61 1.537 6.531 7.243 1.00 0.99 H new ATOM 946 N ILE A 62 2.208 2.263 5.894 1.00 0.46 N ATOM 947 CA ILE A 62 1.372 1.063 5.919 1.00 0.53 C ATOM 948 C ILE A 62 1.675 0.202 7.142 1.00 0.48 C ATOM 949 O ILE A 62 0.768 -0.100 7.919 1.00 0.50 O ATOM 950 CB ILE A 62 1.520 0.258 4.617 1.00 0.65 C ATOM 951 CG1 ILE A 62 0.947 1.079 3.457 1.00 0.77 C ATOM 952 CG2 ILE A 62 0.756 -1.071 4.692 1.00 0.83 C ATOM 953 CD1 ILE A 62 1.276 0.488 2.096 1.00 1.00 C ATOM 0 H ILE A 62 2.774 2.347 5.049 1.00 0.46 H new ATOM 0 HA ILE A 62 0.333 1.384 5.994 1.00 0.53 H new ATOM 0 HB ILE A 62 2.579 0.047 4.466 1.00 0.65 H new ATOM 0 HG12 ILE A 62 -0.135 1.147 3.566 1.00 0.77 H new ATOM 0 HG13 ILE A 62 1.337 2.095 3.510 1.00 0.77 H new ATOM 0 HG21 ILE A 62 0.881 -1.616 3.756 1.00 0.83 H new ATOM 0 HG22 ILE A 62 1.147 -1.669 5.515 1.00 0.83 H new ATOM 0 HG23 ILE A 62 -0.303 -0.873 4.858 1.00 0.83 H new ATOM 0 HD11 ILE A 62 0.844 1.112 1.314 1.00 1.00 H new ATOM 0 HD12 ILE A 62 2.358 0.445 1.970 1.00 1.00 H new ATOM 0 HD13 ILE A 62 0.863 -0.518 2.027 1.00 1.00 H new ATOM 965 N GLU A 63 2.924 -0.244 7.292 1.00 0.55 N ATOM 966 CA GLU A 63 3.272 -1.159 8.362 1.00 0.79 C ATOM 967 C GLU A 63 2.883 -0.522 9.698 1.00 0.74 C ATOM 968 O GLU A 63 2.130 -1.112 10.473 1.00 0.86 O ATOM 969 CB GLU A 63 4.734 -1.637 8.250 1.00 1.09 C ATOM 970 CG GLU A 63 5.773 -0.534 8.470 1.00 1.40 C ATOM 971 CD GLU A 63 7.189 -0.913 8.055 1.00 1.88 C ATOM 972 OE1 GLU A 63 7.374 -1.847 7.239 1.00 2.73 O ATOM 973 OE2 GLU A 63 8.119 -0.201 8.493 1.00 2.62 O ATOM 0 H GLU A 63 3.702 0.016 6.686 1.00 0.55 H new ATOM 0 HA GLU A 63 2.702 -2.085 8.283 1.00 0.79 H new ATOM 0 HB2 GLU A 63 4.902 -2.430 8.979 1.00 1.09 H new ATOM 0 HB3 GLU A 63 4.887 -2.074 7.263 1.00 1.09 H new ATOM 0 HG2 GLU A 63 5.469 0.352 7.912 1.00 1.40 H new ATOM 0 HG3 GLU A 63 5.777 -0.261 9.525 1.00 1.40 H new ATOM 980 N SER A 64 3.287 0.739 9.891 1.00 0.67 N ATOM 981 CA SER A 64 2.891 1.561 11.024 1.00 0.74 C ATOM 982 C SER A 64 1.370 1.520 11.253 1.00 0.75 C ATOM 983 O SER A 64 0.929 1.259 12.372 1.00 1.23 O ATOM 984 CB SER A 64 3.442 2.980 10.823 1.00 0.74 C ATOM 985 OG SER A 64 3.096 3.826 11.902 1.00 0.86 O ATOM 0 H SER A 64 3.912 1.221 9.245 1.00 0.67 H new ATOM 0 HA SER A 64 3.322 1.160 11.941 1.00 0.74 H new ATOM 0 HB2 SER A 64 4.527 2.940 10.724 1.00 0.74 H new ATOM 0 HB3 SER A 64 3.052 3.395 9.894 1.00 0.74 H new ATOM 0 HG SER A 64 3.462 4.722 11.746 1.00 0.86 H new ATOM 991 N LEU A 65 0.545 1.747 10.221 1.00 0.44 N ATOM 992 CA LEU A 65 -0.900 1.728 10.386 1.00 0.48 C ATOM 993 C LEU A 65 -1.452 0.406 10.929 1.00 0.79 C ATOM 994 O LEU A 65 -2.436 0.444 11.677 1.00 1.46 O ATOM 995 CB LEU A 65 -1.580 2.063 9.057 1.00 0.69 C ATOM 996 CG LEU A 65 -1.435 3.546 8.700 1.00 0.90 C ATOM 997 CD1 LEU A 65 -1.510 3.679 7.186 1.00 1.79 C ATOM 998 CD2 LEU A 65 -2.507 4.410 9.371 1.00 1.39 C ATOM 0 H LEU A 65 0.860 1.944 9.271 1.00 0.44 H new ATOM 0 HA LEU A 65 -1.126 2.484 11.138 1.00 0.48 H new ATOM 0 HB2 LEU A 65 -1.146 1.454 8.264 1.00 0.69 H new ATOM 0 HB3 LEU A 65 -2.637 1.805 9.115 1.00 0.69 H new ATOM 0 HG LEU A 65 -0.475 3.906 9.069 1.00 0.90 H new ATOM 0 HD11 LEU A 65 -1.409 4.728 6.907 1.00 1.79 H new ATOM 0 HD12 LEU A 65 -0.705 3.103 6.730 1.00 1.79 H new ATOM 0 HD13 LEU A 65 -2.470 3.301 6.835 1.00 1.79 H new ATOM 0 HD21 LEU A 65 -2.363 5.453 9.088 1.00 1.39 H new ATOM 0 HD22 LEU A 65 -3.495 4.080 9.049 1.00 1.39 H new ATOM 0 HD23 LEU A 65 -2.427 4.313 10.454 1.00 1.39 H new ATOM 1010 N GLY A 66 -0.986 -0.760 10.462 1.00 0.67 N ATOM 1011 CA GLY A 66 -1.464 -2.008 11.065 1.00 0.93 C ATOM 1012 C GLY A 66 -0.673 -3.300 10.832 1.00 0.78 C ATOM 1013 O GLY A 66 -1.140 -4.349 11.275 1.00 1.23 O ATOM 0 H GLY A 66 -0.311 -0.865 9.705 1.00 0.67 H new ATOM 0 HA2 GLY A 66 -1.525 -1.850 12.142 1.00 0.93 H new ATOM 0 HA3 GLY A 66 -2.480 -2.176 10.709 1.00 0.93 H new ATOM 1017 N PHE A 67 0.402 -3.290 10.041 1.00 0.52 N ATOM 1018 CA PHE A 67 0.744 -4.431 9.184 1.00 0.49 C ATOM 1019 C PHE A 67 2.257 -4.661 9.118 1.00 0.70 C ATOM 1020 O PHE A 67 3.021 -3.886 9.684 1.00 1.41 O ATOM 1021 CB PHE A 67 0.155 -4.177 7.782 1.00 0.56 C ATOM 1022 CG PHE A 67 -1.285 -3.681 7.790 1.00 0.57 C ATOM 1023 CD1 PHE A 67 -2.289 -4.487 8.356 1.00 1.82 C ATOM 1024 CD2 PHE A 67 -1.576 -2.339 7.478 1.00 1.86 C ATOM 1025 CE1 PHE A 67 -3.554 -3.946 8.648 1.00 1.84 C ATOM 1026 CE2 PHE A 67 -2.837 -1.796 7.767 1.00 1.86 C ATOM 1027 CZ PHE A 67 -3.829 -2.602 8.345 1.00 0.60 C ATOM 0 H PHE A 67 1.051 -2.506 9.975 1.00 0.52 H new ATOM 0 HA PHE A 67 0.316 -5.340 9.607 1.00 0.49 H new ATOM 0 HB2 PHE A 67 0.777 -3.445 7.266 1.00 0.56 H new ATOM 0 HB3 PHE A 67 0.206 -5.101 7.206 1.00 0.56 H new ATOM 0 HD1 PHE A 67 -2.088 -5.527 8.568 1.00 1.82 H new ATOM 0 HD2 PHE A 67 -0.822 -1.722 7.012 1.00 1.86 H new ATOM 0 HE1 PHE A 67 -4.313 -4.563 9.105 1.00 1.84 H new ATOM 0 HE2 PHE A 67 -3.044 -0.759 7.545 1.00 1.86 H new ATOM 0 HZ PHE A 67 -4.804 -2.189 8.557 1.00 0.60 H new ATOM 1037 N GLU A 68 2.699 -5.704 8.406 1.00 0.53 N ATOM 1038 CA GLU A 68 4.003 -5.708 7.753 1.00 0.69 C ATOM 1039 C GLU A 68 3.727 -5.652 6.249 1.00 0.73 C ATOM 1040 O GLU A 68 2.740 -6.238 5.804 1.00 1.01 O ATOM 1041 CB GLU A 68 4.796 -6.947 8.184 1.00 1.04 C ATOM 1042 CG GLU A 68 6.211 -6.961 7.590 1.00 2.57 C ATOM 1043 CD GLU A 68 6.312 -7.808 6.330 1.00 3.82 C ATOM 1044 OE1 GLU A 68 6.378 -9.047 6.479 1.00 4.05 O ATOM 1045 OE2 GLU A 68 6.315 -7.242 5.215 1.00 5.18 O ATOM 0 H GLU A 68 2.163 -6.561 8.270 1.00 0.53 H new ATOM 0 HA GLU A 68 4.621 -4.855 8.035 1.00 0.69 H new ATOM 0 HB2 GLU A 68 4.859 -6.976 9.272 1.00 1.04 H new ATOM 0 HB3 GLU A 68 4.263 -7.845 7.872 1.00 1.04 H new ATOM 0 HG2 GLU A 68 6.514 -5.939 7.361 1.00 2.57 H new ATOM 0 HG3 GLU A 68 6.909 -7.341 8.335 1.00 2.57 H new ATOM 1052 N ALA A 69 4.518 -4.890 5.488 1.00 0.87 N ATOM 1053 CA ALA A 69 4.252 -4.589 4.088 1.00 1.04 C ATOM 1054 C ALA A 69 5.511 -4.790 3.239 1.00 1.39 C ATOM 1055 O ALA A 69 6.495 -4.074 3.411 1.00 2.25 O ATOM 1056 CB ALA A 69 3.711 -3.162 3.991 1.00 1.16 C ATOM 0 H ALA A 69 5.374 -4.460 5.838 1.00 0.87 H new ATOM 0 HA ALA A 69 3.503 -5.275 3.692 1.00 1.04 H new ATOM 0 HB1 ALA A 69 3.506 -2.921 2.948 1.00 1.16 H new ATOM 0 HB2 ALA A 69 2.791 -3.082 4.569 1.00 1.16 H new ATOM 0 HB3 ALA A 69 4.450 -2.465 4.387 1.00 1.16 H new ATOM 1062 N SER A 70 5.469 -5.748 2.305 1.00 0.87 N ATOM 1063 CA SER A 70 6.615 -6.168 1.501 1.00 1.00 C ATOM 1064 C SER A 70 6.331 -6.021 0.002 1.00 0.89 C ATOM 1065 O SER A 70 5.465 -6.724 -0.510 1.00 0.73 O ATOM 1066 CB SER A 70 6.903 -7.637 1.821 1.00 1.11 C ATOM 1067 OG SER A 70 7.657 -7.759 3.011 1.00 1.69 O ATOM 0 H SER A 70 4.616 -6.262 2.085 1.00 0.87 H new ATOM 0 HA SER A 70 7.471 -5.537 1.741 1.00 1.00 H new ATOM 0 HB2 SER A 70 5.964 -8.181 1.924 1.00 1.11 H new ATOM 0 HB3 SER A 70 7.447 -8.093 0.994 1.00 1.11 H new ATOM 0 HG SER A 70 7.234 -7.234 3.722 1.00 1.69 H new ATOM 1073 N LEU A 71 7.080 -5.164 -0.707 1.00 1.05 N ATOM 1074 CA LEU A 71 7.022 -4.968 -2.162 1.00 1.03 C ATOM 1075 C LEU A 71 7.411 -6.232 -2.938 1.00 1.08 C ATOM 1076 O LEU A 71 8.459 -6.295 -3.574 1.00 1.96 O ATOM 1077 CB LEU A 71 7.892 -3.760 -2.570 1.00 1.37 C ATOM 1078 CG LEU A 71 9.382 -3.857 -2.178 1.00 1.18 C ATOM 1079 CD1 LEU A 71 10.264 -3.484 -3.377 1.00 2.10 C ATOM 1080 CD2 LEU A 71 9.722 -2.914 -1.018 1.00 2.22 C ATOM 0 H LEU A 71 7.773 -4.562 -0.262 1.00 1.05 H new ATOM 0 HA LEU A 71 5.986 -4.756 -2.428 1.00 1.03 H new ATOM 0 HB2 LEU A 71 7.825 -3.634 -3.651 1.00 1.37 H new ATOM 0 HB3 LEU A 71 7.472 -2.862 -2.118 1.00 1.37 H new ATOM 0 HG LEU A 71 9.570 -4.885 -1.867 1.00 1.18 H new ATOM 0 HD11 LEU A 71 11.314 -3.555 -3.092 1.00 2.10 H new ATOM 0 HD12 LEU A 71 10.065 -4.168 -4.202 1.00 2.10 H new ATOM 0 HD13 LEU A 71 10.041 -2.464 -3.689 1.00 2.10 H new ATOM 0 HD21 LEU A 71 10.779 -3.009 -0.769 1.00 2.22 H new ATOM 0 HD22 LEU A 71 9.509 -1.886 -1.311 1.00 2.22 H new ATOM 0 HD23 LEU A 71 9.120 -3.175 -0.148 1.00 2.22 H new ATOM 1092 N VAL A 72 6.529 -7.227 -2.924 1.00 0.84 N ATOM 1093 CA VAL A 72 6.619 -8.399 -3.777 1.00 0.88 C ATOM 1094 C VAL A 72 6.700 -7.984 -5.250 1.00 1.03 C ATOM 1095 O VAL A 72 7.500 -8.549 -5.991 1.00 1.99 O ATOM 1096 CB VAL A 72 5.461 -9.370 -3.484 1.00 0.96 C ATOM 1097 CG1 VAL A 72 5.706 -10.081 -2.150 1.00 1.20 C ATOM 1098 CG2 VAL A 72 4.070 -8.716 -3.482 1.00 1.26 C ATOM 0 H VAL A 72 5.717 -7.238 -2.306 1.00 0.84 H new ATOM 0 HA VAL A 72 7.539 -8.939 -3.555 1.00 0.88 H new ATOM 0 HB VAL A 72 5.452 -10.084 -4.307 1.00 0.96 H new ATOM 0 HG11 VAL A 72 4.884 -10.767 -1.947 1.00 1.20 H new ATOM 0 HG12 VAL A 72 6.640 -10.640 -2.202 1.00 1.20 H new ATOM 0 HG13 VAL A 72 5.768 -9.343 -1.350 1.00 1.20 H new ATOM 0 HG21 VAL A 72 3.313 -9.471 -3.267 1.00 1.26 H new ATOM 0 HG22 VAL A 72 4.034 -7.939 -2.718 1.00 1.26 H new ATOM 0 HG23 VAL A 72 3.874 -8.274 -4.459 1.00 1.26 H new ATOM 1108 N LYS A 73 5.914 -6.973 -5.646 1.00 1.88 N ATOM 1109 CA LYS A 73 5.865 -6.441 -7.004 1.00 2.30 C ATOM 1110 C LYS A 73 5.315 -7.497 -7.980 1.00 2.18 C ATOM 1111 O LYS A 73 6.011 -8.412 -8.409 1.00 2.49 O ATOM 1112 CB LYS A 73 7.219 -5.852 -7.429 1.00 2.93 C ATOM 1113 CG LYS A 73 7.068 -4.964 -8.677 1.00 3.64 C ATOM 1114 CD LYS A 73 8.176 -5.227 -9.706 1.00 3.45 C ATOM 1115 CE LYS A 73 7.966 -6.585 -10.397 1.00 3.98 C ATOM 1116 NZ LYS A 73 9.011 -6.883 -11.394 1.00 4.83 N ATOM 0 H LYS A 73 5.279 -6.493 -5.008 1.00 1.88 H new ATOM 0 HA LYS A 73 5.166 -5.605 -7.029 1.00 2.30 H new ATOM 0 HB2 LYS A 73 7.638 -5.267 -6.610 1.00 2.93 H new ATOM 0 HB3 LYS A 73 7.922 -6.659 -7.636 1.00 2.93 H new ATOM 0 HG2 LYS A 73 6.096 -5.146 -9.136 1.00 3.64 H new ATOM 0 HG3 LYS A 73 7.090 -3.915 -8.381 1.00 3.64 H new ATOM 0 HD2 LYS A 73 8.183 -4.432 -10.451 1.00 3.45 H new ATOM 0 HD3 LYS A 73 9.148 -5.211 -9.213 1.00 3.45 H new ATOM 0 HE2 LYS A 73 7.952 -7.373 -9.644 1.00 3.98 H new ATOM 0 HE3 LYS A 73 6.991 -6.593 -10.885 1.00 3.98 H new ATOM 0 HZ1 LYS A 73 8.822 -7.808 -11.829 1.00 4.83 H new ATOM 0 HZ2 LYS A 73 9.009 -6.148 -12.129 1.00 4.83 H new ATOM 0 HZ3 LYS A 73 9.940 -6.903 -10.927 1.00 4.83 H new ATOM 1130 N ILE A 74 4.042 -7.333 -8.329 1.00 2.77 N ATOM 1131 CA ILE A 74 3.139 -8.317 -8.913 1.00 3.74 C ATOM 1132 C ILE A 74 3.415 -9.761 -8.466 1.00 4.72 C ATOM 1133 O ILE A 74 3.653 -10.651 -9.279 1.00 5.41 O ATOM 1134 CB ILE A 74 2.934 -8.090 -10.426 1.00 4.01 C ATOM 1135 CG1 ILE A 74 1.838 -8.976 -11.053 1.00 4.76 C ATOM 1136 CG2 ILE A 74 4.228 -8.227 -11.235 1.00 4.54 C ATOM 1137 CD1 ILE A 74 0.522 -8.972 -10.268 1.00 5.14 C ATOM 0 H ILE A 74 3.579 -6.434 -8.199 1.00 2.77 H new ATOM 0 HA ILE A 74 2.152 -8.143 -8.485 1.00 3.74 H new ATOM 0 HB ILE A 74 2.594 -7.056 -10.484 1.00 4.01 H new ATOM 0 HG12 ILE A 74 1.645 -8.636 -12.070 1.00 4.76 H new ATOM 0 HG13 ILE A 74 2.206 -10.000 -11.124 1.00 4.76 H new ATOM 0 HG21 ILE A 74 4.017 -8.056 -12.291 1.00 4.54 H new ATOM 0 HG22 ILE A 74 4.954 -7.493 -10.887 1.00 4.54 H new ATOM 0 HG23 ILE A 74 4.635 -9.230 -11.104 1.00 4.54 H new ATOM 0 HD11 ILE A 74 -0.202 -9.616 -10.767 1.00 5.14 H new ATOM 0 HD12 ILE A 74 0.700 -9.341 -9.258 1.00 5.14 H new ATOM 0 HD13 ILE A 74 0.130 -7.956 -10.220 1.00 5.14 H new ATOM 1149 N GLU A 75 3.236 -9.983 -7.162 1.00 5.76 N ATOM 1150 CA GLU A 75 2.506 -11.139 -6.674 1.00 7.74 C ATOM 1151 C GLU A 75 1.239 -10.480 -6.127 1.00 8.90 C ATOM 1152 O GLU A 75 0.105 -10.912 -6.449 1.00 9.92 O ATOM 1153 CB GLU A 75 3.282 -11.862 -5.563 1.00 8.71 C ATOM 1154 CG GLU A 75 4.673 -12.364 -5.993 1.00 8.53 C ATOM 1155 CD GLU A 75 4.634 -13.565 -6.934 1.00 9.44 C ATOM 1156 OE1 GLU A 75 3.597 -14.265 -6.942 1.00 10.45 O ATOM 1157 OE2 GLU A 75 5.671 -13.796 -7.593 1.00 9.63 O ATOM 1158 OXT GLU A 75 1.388 -9.397 -5.515 1.00 9.12 O ATOM 0 H GLU A 75 3.591 -9.370 -6.428 1.00 5.76 H new ATOM 0 HA GLU A 75 2.324 -11.905 -7.428 1.00 7.74 H new ATOM 0 HB2 GLU A 75 3.397 -11.186 -4.716 1.00 8.71 H new ATOM 0 HB3 GLU A 75 2.693 -12.711 -5.216 1.00 8.71 H new ATOM 0 HG2 GLU A 75 5.207 -11.549 -6.482 1.00 8.53 H new ATOM 0 HG3 GLU A 75 5.243 -12.631 -5.103 1.00 8.53 H new TER 1165 GLU A 75