USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 591 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= -0.633 K(o=0.26,f=-0.35) USER MOD Set 1.2: A 61 THR OG1 : rot 73:sc= 0.888 USER MOD Set 2.1: A 27 THR OG1 : rot 176:sc= 1.43 USER MOD Set 2.2: A 35 CYS SG : rot 133:sc= -0.0738 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= 1.21 (180deg=1.05) USER MOD Single : A 13 MET CE :methyl 172:sc= -0.224 (180deg=-0.435) USER MOD Single : A 14 THR OG1 : rot -18:sc= 0.58 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.465 X(o=-0.47,f=-0.096) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 120:sc= 0 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 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0349 USER MOD Single : A 42 ASN : amide:sc= -0.247 K(o=-0.25,f=-6.8!) USER MOD Single : A 43 LYS NZ :NH3+ -179:sc= 0.937 (180deg=0.898) USER MOD Single : A 45 HIS : no HE2:sc= 0.752 K(o=0.75,f=-5.1!) USER MOD Single : A 47 LYS NZ :NH3+ 144:sc= -0.0931 (180deg=-1.34) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -0.151 K(o=-0.15,f=-6.1!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 35:sc= 0.0263 USER MOD Single : A 73 LYS NZ :NH3+ -114:sc= 0.814 (180deg=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.245 -18.359 1.864 1.00 8.81 N ATOM 2 CA MET A 1 -2.090 -19.688 1.244 1.00 8.23 C ATOM 3 C MET A 1 -2.259 -19.586 -0.274 1.00 6.68 C ATOM 4 O MET A 1 -1.327 -19.884 -1.013 1.00 6.99 O ATOM 5 CB MET A 1 -3.066 -20.713 1.843 1.00 8.78 C ATOM 6 CG MET A 1 -2.784 -21.003 3.323 1.00 10.34 C ATOM 7 SD MET A 1 -3.819 -22.311 4.026 1.00 11.21 S ATOM 8 CE MET A 1 -3.170 -22.352 5.711 1.00 13.01 C ATOM 0 H1 MET A 1 -1.884 -18.387 2.839 1.00 8.81 H new ATOM 0 H2 MET A 1 -1.709 -17.656 1.316 1.00 8.81 H new ATOM 0 H3 MET A 1 -3.251 -18.096 1.875 1.00 8.81 H new ATOM 0 HA MET A 1 -1.083 -20.044 1.459 1.00 8.23 H new ATOM 0 HB2 MET A 1 -4.086 -20.343 1.737 1.00 8.78 H new ATOM 0 HB3 MET A 1 -3.004 -21.642 1.276 1.00 8.78 H new ATOM 0 HG2 MET A 1 -1.737 -21.283 3.435 1.00 10.34 H new ATOM 0 HG3 MET A 1 -2.932 -20.088 3.897 1.00 10.34 H new ATOM 0 HE1 MET A 1 -3.701 -23.110 6.287 1.00 13.01 H new ATOM 0 HE2 MET A 1 -2.107 -22.593 5.686 1.00 13.01 H new ATOM 0 HE3 MET A 1 -3.310 -21.377 6.179 1.00 13.01 H new ATOM 20 N GLY A 2 -3.422 -19.116 -0.725 1.00 5.53 N ATOM 21 CA GLY A 2 -3.703 -18.757 -2.108 1.00 4.53 C ATOM 22 C GLY A 2 -4.392 -17.403 -2.051 1.00 3.73 C ATOM 23 O GLY A 2 -5.570 -17.280 -2.377 1.00 3.88 O ATOM 0 H GLY A 2 -4.223 -18.971 -0.110 1.00 5.53 H new ATOM 0 HA2 GLY A 2 -2.785 -18.704 -2.693 1.00 4.53 H new ATOM 0 HA3 GLY A 2 -4.342 -19.501 -2.583 1.00 4.53 H new ATOM 27 N ASP A 3 -3.659 -16.414 -1.532 1.00 3.59 N ATOM 28 CA ASP A 3 -4.195 -15.189 -0.967 1.00 3.11 C ATOM 29 C ASP A 3 -3.160 -14.096 -1.193 1.00 2.10 C ATOM 30 O ASP A 3 -2.004 -14.389 -1.502 1.00 2.90 O ATOM 31 CB ASP A 3 -4.402 -15.343 0.553 1.00 4.32 C ATOM 32 CG ASP A 3 -5.258 -16.534 0.955 1.00 5.13 C ATOM 33 OD1 ASP A 3 -4.651 -17.621 1.119 1.00 6.37 O ATOM 34 OD2 ASP A 3 -6.475 -16.337 1.135 1.00 5.26 O ATOM 0 H ASP A 3 -2.640 -16.453 -1.496 1.00 3.59 H new ATOM 0 HA ASP A 3 -5.151 -14.953 -1.435 1.00 3.11 H new ATOM 0 HB2 ASP A 3 -3.427 -15.434 1.032 1.00 4.32 H new ATOM 0 HB3 ASP A 3 -4.863 -14.434 0.938 1.00 4.32 H new ATOM 39 N GLY A 4 -3.556 -12.848 -0.957 1.00 1.27 N ATOM 40 CA GLY A 4 -2.645 -11.721 -0.922 1.00 1.25 C ATOM 41 C GLY A 4 -3.297 -10.600 -0.124 1.00 0.99 C ATOM 42 O GLY A 4 -4.085 -9.826 -0.665 1.00 1.29 O ATOM 0 H GLY A 4 -4.529 -12.594 -0.784 1.00 1.27 H new ATOM 0 HA2 GLY A 4 -1.699 -12.012 -0.464 1.00 1.25 H new ATOM 0 HA3 GLY A 4 -2.419 -11.384 -1.934 1.00 1.25 H new ATOM 46 N VAL A 5 -2.974 -10.521 1.168 1.00 0.91 N ATOM 47 CA VAL A 5 -3.299 -9.387 2.018 1.00 0.80 C ATOM 48 C VAL A 5 -1.971 -8.813 2.498 1.00 0.88 C ATOM 49 O VAL A 5 -1.084 -9.572 2.889 1.00 1.16 O ATOM 50 CB VAL A 5 -4.256 -9.785 3.157 1.00 0.93 C ATOM 51 CG1 VAL A 5 -5.544 -10.388 2.581 1.00 2.21 C ATOM 52 CG2 VAL A 5 -3.644 -10.772 4.159 1.00 2.08 C ATOM 0 H VAL A 5 -2.470 -11.260 1.657 1.00 0.91 H new ATOM 0 HA VAL A 5 -3.848 -8.619 1.473 1.00 0.80 H new ATOM 0 HB VAL A 5 -4.470 -8.866 3.703 1.00 0.93 H new ATOM 0 HG11 VAL A 5 -6.212 -10.665 3.396 1.00 2.21 H new ATOM 0 HG12 VAL A 5 -6.036 -9.654 1.943 1.00 2.21 H new ATOM 0 HG13 VAL A 5 -5.300 -11.274 1.994 1.00 2.21 H new ATOM 0 HG21 VAL A 5 -4.376 -11.006 4.932 1.00 2.08 H new ATOM 0 HG22 VAL A 5 -3.359 -11.687 3.640 1.00 2.08 H new ATOM 0 HG23 VAL A 5 -2.762 -10.325 4.618 1.00 2.08 H new ATOM 62 N LEU A 6 -1.797 -7.495 2.388 1.00 0.95 N ATOM 63 CA LEU A 6 -0.558 -6.809 2.704 1.00 1.05 C ATOM 64 C LEU A 6 -0.858 -5.697 3.698 1.00 0.96 C ATOM 65 O LEU A 6 -1.302 -4.618 3.316 1.00 1.15 O ATOM 66 CB LEU A 6 0.138 -6.302 1.426 1.00 1.27 C ATOM 67 CG LEU A 6 1.494 -6.990 1.188 1.00 1.19 C ATOM 68 CD1 LEU A 6 2.044 -6.558 -0.175 1.00 2.72 C ATOM 69 CD2 LEU A 6 2.540 -6.644 2.259 1.00 2.38 C ATOM 0 H LEU A 6 -2.535 -6.867 2.069 1.00 0.95 H new ATOM 0 HA LEU A 6 0.147 -7.500 3.167 1.00 1.05 H new ATOM 0 HB2 LEU A 6 -0.511 -6.476 0.568 1.00 1.27 H new ATOM 0 HB3 LEU A 6 0.287 -5.225 1.499 1.00 1.27 H new ATOM 0 HG LEU A 6 1.315 -8.064 1.231 1.00 1.19 H new ATOM 0 HD11 LEU A 6 3.005 -7.042 -0.350 1.00 2.72 H new ATOM 0 HD12 LEU A 6 1.344 -6.848 -0.958 1.00 2.72 H new ATOM 0 HD13 LEU A 6 2.175 -5.476 -0.188 1.00 2.72 H new ATOM 0 HD21 LEU A 6 3.474 -7.160 2.035 1.00 2.38 H new ATOM 0 HD22 LEU A 6 2.712 -5.568 2.265 1.00 2.38 H new ATOM 0 HD23 LEU A 6 2.177 -6.959 3.237 1.00 2.38 H new ATOM 81 N GLU A 7 -0.599 -5.978 4.975 1.00 0.90 N ATOM 82 CA GLU A 7 -0.450 -4.969 6.004 1.00 0.89 C ATOM 83 C GLU A 7 1.006 -4.542 6.006 1.00 0.74 C ATOM 84 O GLU A 7 1.874 -5.296 6.448 1.00 1.03 O ATOM 85 CB GLU A 7 -0.873 -5.535 7.356 1.00 1.15 C ATOM 86 CG GLU A 7 -2.405 -5.494 7.418 1.00 1.36 C ATOM 87 CD GLU A 7 -2.980 -4.285 8.140 1.00 2.09 C ATOM 88 OE1 GLU A 7 -2.273 -3.653 8.954 1.00 3.03 O ATOM 89 OE2 GLU A 7 -4.183 -3.995 7.947 1.00 3.02 O ATOM 0 H GLU A 7 -0.486 -6.931 5.321 1.00 0.90 H new ATOM 0 HA GLU A 7 -1.086 -4.106 5.809 1.00 0.89 H new ATOM 0 HB2 GLU A 7 -0.512 -6.557 7.473 1.00 1.15 H new ATOM 0 HB3 GLU A 7 -0.441 -4.950 8.168 1.00 1.15 H new ATOM 0 HG2 GLU A 7 -2.797 -5.513 6.401 1.00 1.36 H new ATOM 0 HG3 GLU A 7 -2.759 -6.398 7.913 1.00 1.36 H new ATOM 96 N LEU A 8 1.261 -3.339 5.496 1.00 0.64 N ATOM 97 CA LEU A 8 2.542 -2.674 5.644 1.00 0.67 C ATOM 98 C LEU A 8 2.356 -1.463 6.544 1.00 0.64 C ATOM 99 O LEU A 8 1.281 -0.863 6.542 1.00 0.72 O ATOM 100 CB LEU A 8 3.161 -2.297 4.283 1.00 0.94 C ATOM 101 CG LEU A 8 2.169 -1.757 3.239 1.00 1.33 C ATOM 102 CD1 LEU A 8 2.791 -0.624 2.423 1.00 1.95 C ATOM 103 CD2 LEU A 8 1.749 -2.866 2.274 1.00 2.40 C ATOM 0 H LEU A 8 0.576 -2.800 4.966 1.00 0.64 H new ATOM 0 HA LEU A 8 3.252 -3.360 6.106 1.00 0.67 H new ATOM 0 HB2 LEU A 8 3.934 -1.546 4.449 1.00 0.94 H new ATOM 0 HB3 LEU A 8 3.655 -3.177 3.870 1.00 0.94 H new ATOM 0 HG LEU A 8 1.301 -1.383 3.782 1.00 1.33 H new ATOM 0 HD11 LEU A 8 2.067 -0.262 1.693 1.00 1.95 H new ATOM 0 HD12 LEU A 8 3.074 0.191 3.089 1.00 1.95 H new ATOM 0 HD13 LEU A 8 3.676 -0.993 1.904 1.00 1.95 H new ATOM 0 HD21 LEU A 8 1.047 -2.465 1.543 1.00 2.40 H new ATOM 0 HD22 LEU A 8 2.628 -3.253 1.759 1.00 2.40 H new ATOM 0 HD23 LEU A 8 1.272 -3.672 2.831 1.00 2.40 H new ATOM 115 N VAL A 9 3.411 -1.100 7.279 1.00 0.60 N ATOM 116 CA VAL A 9 3.546 0.232 7.834 1.00 0.60 C ATOM 117 C VAL A 9 3.988 1.100 6.660 1.00 0.57 C ATOM 118 O VAL A 9 4.739 0.633 5.803 1.00 0.68 O ATOM 119 CB VAL A 9 4.535 0.260 9.025 1.00 0.62 C ATOM 120 CG1 VAL A 9 5.531 1.431 8.986 1.00 0.66 C ATOM 121 CG2 VAL A 9 3.768 0.370 10.352 1.00 0.76 C ATOM 0 H VAL A 9 4.187 -1.724 7.500 1.00 0.60 H new ATOM 0 HA VAL A 9 2.614 0.602 8.262 1.00 0.60 H new ATOM 0 HB VAL A 9 5.095 -0.672 8.946 1.00 0.62 H new ATOM 0 HG11 VAL A 9 6.188 1.379 9.854 1.00 0.66 H new ATOM 0 HG12 VAL A 9 6.127 1.371 8.075 1.00 0.66 H new ATOM 0 HG13 VAL A 9 4.985 2.374 9.001 1.00 0.66 H new ATOM 0 HG21 VAL A 9 4.476 0.389 11.181 1.00 0.76 H new ATOM 0 HG22 VAL A 9 3.179 1.287 10.357 1.00 0.76 H new ATOM 0 HG23 VAL A 9 3.104 -0.488 10.461 1.00 0.76 H new ATOM 131 N VAL A 10 3.498 2.335 6.596 1.00 0.66 N ATOM 132 CA VAL A 10 3.823 3.305 5.585 1.00 0.62 C ATOM 133 C VAL A 10 3.961 4.653 6.294 1.00 0.63 C ATOM 134 O VAL A 10 3.154 4.988 7.162 1.00 0.89 O ATOM 135 CB VAL A 10 2.756 3.264 4.482 1.00 0.61 C ATOM 136 CG1 VAL A 10 1.327 3.215 5.035 1.00 2.26 C ATOM 137 CG2 VAL A 10 2.944 4.444 3.534 1.00 2.15 C ATOM 0 H VAL A 10 2.835 2.691 7.284 1.00 0.66 H new ATOM 0 HA VAL A 10 4.765 3.100 5.077 1.00 0.62 H new ATOM 0 HB VAL A 10 2.894 2.335 3.929 1.00 0.61 H new ATOM 0 HG11 VAL A 10 0.618 3.187 4.208 1.00 2.26 H new ATOM 0 HG12 VAL A 10 1.205 2.322 5.648 1.00 2.26 H new ATOM 0 HG13 VAL A 10 1.142 4.101 5.643 1.00 2.26 H new ATOM 0 HG21 VAL A 10 2.184 4.409 2.754 1.00 2.15 H new ATOM 0 HG22 VAL A 10 2.850 5.376 4.091 1.00 2.15 H new ATOM 0 HG23 VAL A 10 3.933 4.391 3.079 1.00 2.15 H new ATOM 147 N ARG A 11 5.005 5.404 5.947 1.00 0.76 N ATOM 148 CA ARG A 11 5.349 6.687 6.536 1.00 0.94 C ATOM 149 C ARG A 11 5.691 7.672 5.415 1.00 0.82 C ATOM 150 O ARG A 11 5.751 7.304 4.241 1.00 1.12 O ATOM 151 CB ARG A 11 6.488 6.503 7.558 1.00 1.17 C ATOM 152 CG ARG A 11 5.965 6.438 8.998 1.00 2.54 C ATOM 153 CD ARG A 11 5.775 7.855 9.556 1.00 4.18 C ATOM 154 NE ARG A 11 5.064 7.834 10.844 1.00 5.29 N ATOM 155 CZ ARG A 11 4.765 8.918 11.579 1.00 6.91 C ATOM 156 NH1 ARG A 11 5.307 10.100 11.272 1.00 7.59 N ATOM 157 NH2 ARG A 11 3.922 8.807 12.611 1.00 8.18 N ATOM 0 H ARG A 11 5.658 5.119 5.217 1.00 0.76 H new ATOM 0 HA ARG A 11 4.506 7.104 7.087 1.00 0.94 H new ATOM 0 HB2 ARG A 11 7.035 5.588 7.330 1.00 1.17 H new ATOM 0 HB3 ARG A 11 7.194 7.328 7.466 1.00 1.17 H new ATOM 0 HG2 ARG A 11 5.018 5.898 9.025 1.00 2.54 H new ATOM 0 HG3 ARG A 11 6.666 5.884 9.623 1.00 2.54 H new ATOM 0 HD2 ARG A 11 6.747 8.331 9.683 1.00 4.18 H new ATOM 0 HD3 ARG A 11 5.216 8.458 8.840 1.00 4.18 H new ATOM 0 HE ARG A 11 4.776 6.926 11.207 1.00 5.29 H new ATOM 0 HH11 ARG A 11 5.946 10.178 10.481 1.00 7.59 H new ATOM 0 HH12 ARG A 11 5.081 10.924 11.829 1.00 7.59 H new ATOM 0 HH21 ARG A 11 3.509 7.902 12.837 1.00 8.18 H new ATOM 0 HH22 ARG A 11 3.692 9.627 13.172 1.00 8.18 H new ATOM 171 N GLY A 12 5.800 8.950 5.785 1.00 0.91 N ATOM 172 CA GLY A 12 5.772 10.070 4.855 1.00 0.94 C ATOM 173 C GLY A 12 4.340 10.576 4.638 1.00 0.88 C ATOM 174 O GLY A 12 4.149 11.674 4.121 1.00 1.29 O ATOM 0 H GLY A 12 5.912 9.236 6.758 1.00 0.91 H new ATOM 0 HA2 GLY A 12 6.392 10.880 5.239 1.00 0.94 H new ATOM 0 HA3 GLY A 12 6.201 9.764 3.901 1.00 0.94 H new ATOM 178 N MET A 13 3.325 9.798 5.042 1.00 0.83 N ATOM 179 CA MET A 13 1.923 10.177 4.950 1.00 0.90 C ATOM 180 C MET A 13 1.605 11.318 5.915 1.00 0.83 C ATOM 181 O MET A 13 1.029 11.099 6.979 1.00 1.17 O ATOM 182 CB MET A 13 1.041 8.962 5.251 1.00 1.26 C ATOM 183 CG MET A 13 1.048 7.947 4.110 1.00 0.85 C ATOM 184 SD MET A 13 0.274 6.358 4.502 1.00 1.37 S ATOM 185 CE MET A 13 -1.330 6.889 5.114 1.00 1.85 C ATOM 0 H MET A 13 3.467 8.873 5.448 1.00 0.83 H new ATOM 0 HA MET A 13 1.719 10.526 3.938 1.00 0.90 H new ATOM 0 HB2 MET A 13 1.388 8.481 6.165 1.00 1.26 H new ATOM 0 HB3 MET A 13 0.019 9.294 5.434 1.00 1.26 H new ATOM 0 HG2 MET A 13 0.536 8.383 3.252 1.00 0.85 H new ATOM 0 HG3 MET A 13 2.080 7.768 3.808 1.00 0.85 H new ATOM 0 HE1 MET A 13 -1.970 6.019 5.261 1.00 1.85 H new ATOM 0 HE2 MET A 13 -1.203 7.410 6.063 1.00 1.85 H new ATOM 0 HE3 MET A 13 -1.791 7.561 4.390 1.00 1.85 H new ATOM 195 N THR A 14 1.985 12.539 5.548 1.00 0.76 N ATOM 196 CA THR A 14 1.732 13.710 6.372 1.00 0.92 C ATOM 197 C THR A 14 0.232 13.955 6.602 1.00 0.79 C ATOM 198 O THR A 14 -0.143 14.325 7.714 1.00 1.01 O ATOM 199 CB THR A 14 2.436 14.955 5.810 1.00 1.28 C ATOM 200 OG1 THR A 14 2.068 15.198 4.470 1.00 3.05 O ATOM 201 CG2 THR A 14 3.960 14.826 5.888 1.00 1.52 C ATOM 0 H THR A 14 2.474 12.741 4.676 1.00 0.76 H new ATOM 0 HA THR A 14 2.162 13.504 7.352 1.00 0.92 H new ATOM 0 HB THR A 14 2.116 15.793 6.429 1.00 1.28 H new ATOM 0 HG1 THR A 14 1.680 14.385 4.085 1.00 3.05 H new ATOM 0 HG21 THR A 14 4.423 15.725 5.481 1.00 1.52 H new ATOM 0 HG22 THR A 14 4.262 14.701 6.928 1.00 1.52 H new ATOM 0 HG23 THR A 14 4.282 13.960 5.310 1.00 1.52 H new ATOM 209 N CYS A 15 -0.621 13.793 5.580 1.00 0.64 N ATOM 210 CA CYS A 15 -1.993 14.290 5.641 1.00 0.63 C ATOM 211 C CYS A 15 -2.939 13.541 4.694 1.00 0.59 C ATOM 212 O CYS A 15 -2.543 12.632 3.960 1.00 0.55 O ATOM 213 CB CYS A 15 -1.967 15.789 5.320 1.00 0.67 C ATOM 214 SG CYS A 15 -1.509 16.148 3.609 1.00 0.70 S ATOM 0 H CYS A 15 -0.381 13.323 4.707 1.00 0.64 H new ATOM 0 HA CYS A 15 -2.385 14.118 6.643 1.00 0.63 H new ATOM 0 HB2 CYS A 15 -2.950 16.213 5.522 1.00 0.67 H new ATOM 0 HB3 CYS A 15 -1.263 16.284 5.989 1.00 0.67 H new ATOM 219 N ALA A 16 -4.208 13.963 4.698 1.00 0.68 N ATOM 220 CA ALA A 16 -5.259 13.450 3.826 1.00 0.74 C ATOM 221 C ALA A 16 -4.817 13.435 2.360 1.00 0.68 C ATOM 222 O ALA A 16 -5.102 12.487 1.624 1.00 0.72 O ATOM 223 CB ALA A 16 -6.520 14.300 3.996 1.00 0.85 C ATOM 0 H ALA A 16 -4.537 14.693 5.329 1.00 0.68 H new ATOM 0 HA ALA A 16 -5.471 12.420 4.111 1.00 0.74 H new ATOM 0 HB1 ALA A 16 -7.307 13.918 3.345 1.00 0.85 H new ATOM 0 HB2 ALA A 16 -6.853 14.254 5.033 1.00 0.85 H new ATOM 0 HB3 ALA A 16 -6.300 15.334 3.731 1.00 0.85 H new ATOM 229 N SER A 17 -4.116 14.491 1.935 1.00 0.63 N ATOM 230 CA SER A 17 -3.590 14.602 0.588 1.00 0.63 C ATOM 231 C SER A 17 -2.603 13.477 0.266 1.00 0.59 C ATOM 232 O SER A 17 -2.492 13.093 -0.895 1.00 0.77 O ATOM 233 CB SER A 17 -2.967 15.982 0.380 1.00 0.72 C ATOM 234 OG SER A 17 -3.868 16.972 0.841 1.00 1.47 O ATOM 0 H SER A 17 -3.901 15.293 2.527 1.00 0.63 H new ATOM 0 HA SER A 17 -4.419 14.492 -0.112 1.00 0.63 H new ATOM 0 HB2 SER A 17 -2.022 16.053 0.919 1.00 0.72 H new ATOM 0 HB3 SER A 17 -2.744 16.139 -0.675 1.00 0.72 H new ATOM 0 HG SER A 17 -3.473 17.860 0.712 1.00 1.47 H new ATOM 240 N CYS A 18 -1.886 12.941 1.261 1.00 0.47 N ATOM 241 CA CYS A 18 -1.141 11.707 1.081 1.00 0.44 C ATOM 242 C CYS A 18 -2.105 10.525 0.992 1.00 0.47 C ATOM 243 O CYS A 18 -2.107 9.812 -0.007 1.00 0.55 O ATOM 244 CB CYS A 18 -0.109 11.529 2.194 1.00 0.53 C ATOM 245 SG CYS A 18 1.042 12.918 2.352 1.00 0.67 S ATOM 0 H CYS A 18 -1.811 13.347 2.194 1.00 0.47 H new ATOM 0 HA CYS A 18 -0.588 11.755 0.143 1.00 0.44 H new ATOM 0 HB2 CYS A 18 -0.630 11.391 3.141 1.00 0.53 H new ATOM 0 HB3 CYS A 18 0.459 10.618 2.008 1.00 0.53 H new ATOM 250 N VAL A 19 -2.920 10.324 2.034 1.00 0.50 N ATOM 251 CA VAL A 19 -3.875 9.220 2.151 1.00 0.63 C ATOM 252 C VAL A 19 -4.547 8.914 0.807 1.00 0.57 C ATOM 253 O VAL A 19 -4.363 7.829 0.247 1.00 0.54 O ATOM 254 CB VAL A 19 -4.908 9.538 3.256 1.00 0.85 C ATOM 255 CG1 VAL A 19 -6.137 8.614 3.281 1.00 1.20 C ATOM 256 CG2 VAL A 19 -4.254 9.522 4.644 1.00 0.94 C ATOM 0 H VAL A 19 -2.932 10.945 2.843 1.00 0.50 H new ATOM 0 HA VAL A 19 -3.335 8.317 2.438 1.00 0.63 H new ATOM 0 HB VAL A 19 -5.269 10.535 3.005 1.00 0.85 H new ATOM 0 HG11 VAL A 19 -6.803 8.916 4.089 1.00 1.20 H new ATOM 0 HG12 VAL A 19 -6.665 8.685 2.330 1.00 1.20 H new ATOM 0 HG13 VAL A 19 -5.815 7.585 3.441 1.00 1.20 H new ATOM 0 HG21 VAL A 19 -5.004 9.749 5.402 1.00 0.94 H new ATOM 0 HG22 VAL A 19 -3.831 8.536 4.836 1.00 0.94 H new ATOM 0 HG23 VAL A 19 -3.462 10.270 4.682 1.00 0.94 H new ATOM 266 N HIS A 20 -5.329 9.865 0.286 1.00 0.61 N ATOM 267 CA HIS A 20 -6.120 9.591 -0.907 1.00 0.65 C ATOM 268 C HIS A 20 -5.236 9.434 -2.149 1.00 0.55 C ATOM 269 O HIS A 20 -5.600 8.712 -3.075 1.00 0.57 O ATOM 270 CB HIS A 20 -7.262 10.604 -1.084 1.00 0.81 C ATOM 271 CG HIS A 20 -6.909 11.912 -1.751 1.00 0.80 C ATOM 272 ND1 HIS A 20 -7.698 12.589 -2.653 1.00 0.93 N ATOM 273 CD2 HIS A 20 -5.773 12.649 -1.567 1.00 0.83 C ATOM 274 CE1 HIS A 20 -7.043 13.709 -3.004 1.00 0.96 C ATOM 275 NE2 HIS A 20 -5.863 13.790 -2.371 1.00 0.96 N ATOM 0 H HIS A 20 -5.427 10.807 0.664 1.00 0.61 H new ATOM 0 HA HIS A 20 -6.608 8.626 -0.768 1.00 0.65 H new ATOM 0 HB2 HIS A 20 -8.052 10.128 -1.664 1.00 0.81 H new ATOM 0 HB3 HIS A 20 -7.677 10.824 -0.101 1.00 0.81 H new ATOM 0 HD2 HIS A 20 -4.950 12.395 -0.915 1.00 0.83 H new ATOM 0 HE1 HIS A 20 -7.416 14.444 -3.701 1.00 0.96 H new ATOM 0 HE2 HIS A 20 -5.171 14.534 -2.458 1.00 0.96 H new ATOM 283 N LYS A 21 -4.072 10.091 -2.173 1.00 0.51 N ATOM 284 CA LYS A 21 -3.134 10.007 -3.280 1.00 0.50 C ATOM 285 C LYS A 21 -2.577 8.590 -3.348 1.00 0.44 C ATOM 286 O LYS A 21 -2.631 7.968 -4.406 1.00 0.48 O ATOM 287 CB LYS A 21 -2.043 11.073 -3.105 1.00 0.56 C ATOM 288 CG LYS A 21 -0.902 11.019 -4.126 1.00 0.59 C ATOM 289 CD LYS A 21 0.051 12.188 -3.823 1.00 1.01 C ATOM 290 CE LYS A 21 1.377 12.121 -4.593 1.00 1.88 C ATOM 291 NZ LYS A 21 1.191 12.182 -6.056 1.00 3.44 N ATOM 0 H LYS A 21 -3.759 10.698 -1.416 1.00 0.51 H new ATOM 0 HA LYS A 21 -3.627 10.210 -4.231 1.00 0.50 H new ATOM 0 HB2 LYS A 21 -2.509 12.057 -3.157 1.00 0.56 H new ATOM 0 HB3 LYS A 21 -1.619 10.974 -2.106 1.00 0.56 H new ATOM 0 HG2 LYS A 21 -0.374 10.068 -4.060 1.00 0.59 H new ATOM 0 HG3 LYS A 21 -1.292 11.097 -5.141 1.00 0.59 H new ATOM 0 HD2 LYS A 21 -0.451 13.125 -4.063 1.00 1.01 H new ATOM 0 HD3 LYS A 21 0.263 12.204 -2.754 1.00 1.01 H new ATOM 0 HE2 LYS A 21 2.017 12.945 -4.278 1.00 1.88 H new ATOM 0 HE3 LYS A 21 1.896 11.198 -4.335 1.00 1.88 H new ATOM 0 HZ1 LYS A 21 2.117 12.133 -6.526 1.00 3.44 H new ATOM 0 HZ2 LYS A 21 0.603 11.382 -6.365 1.00 3.44 H new ATOM 0 HZ3 LYS A 21 0.721 13.075 -6.309 1.00 3.44 H new ATOM 305 N ILE A 22 -2.051 8.074 -2.232 1.00 0.43 N ATOM 306 CA ILE A 22 -1.570 6.699 -2.171 1.00 0.44 C ATOM 307 C ILE A 22 -2.695 5.779 -2.613 1.00 0.44 C ATOM 308 O ILE A 22 -2.536 5.053 -3.589 1.00 0.46 O ATOM 309 CB ILE A 22 -1.072 6.320 -0.764 1.00 0.50 C ATOM 310 CG1 ILE A 22 0.131 7.200 -0.420 1.00 0.55 C ATOM 311 CG2 ILE A 22 -0.659 4.839 -0.709 1.00 0.61 C ATOM 312 CD1 ILE A 22 0.742 6.866 0.939 1.00 0.70 C ATOM 0 H ILE A 22 -1.950 8.593 -1.360 1.00 0.43 H new ATOM 0 HA ILE A 22 -0.713 6.594 -2.837 1.00 0.44 H new ATOM 0 HB ILE A 22 -1.877 6.475 -0.045 1.00 0.50 H new ATOM 0 HG12 ILE A 22 0.891 7.086 -1.193 1.00 0.55 H new ATOM 0 HG13 ILE A 22 -0.176 8.246 -0.428 1.00 0.55 H new ATOM 0 HG21 ILE A 22 -0.311 4.595 0.295 1.00 0.61 H new ATOM 0 HG22 ILE A 22 -1.516 4.213 -0.958 1.00 0.61 H new ATOM 0 HG23 ILE A 22 0.143 4.658 -1.425 1.00 0.61 H new ATOM 0 HD11 ILE A 22 1.591 7.523 1.128 1.00 0.70 H new ATOM 0 HD12 ILE A 22 -0.006 7.007 1.719 1.00 0.70 H new ATOM 0 HD13 ILE A 22 1.078 5.829 0.942 1.00 0.70 H new ATOM 324 N GLU A 23 -3.820 5.833 -1.897 1.00 0.48 N ATOM 325 CA GLU A 23 -4.948 4.952 -2.128 1.00 0.53 C ATOM 326 C GLU A 23 -5.319 4.950 -3.616 1.00 0.48 C ATOM 327 O GLU A 23 -5.167 3.938 -4.299 1.00 0.64 O ATOM 328 CB GLU A 23 -6.085 5.391 -1.195 1.00 0.69 C ATOM 329 CG GLU A 23 -7.234 4.383 -1.157 1.00 1.27 C ATOM 330 CD GLU A 23 -8.090 4.449 -2.418 1.00 2.76 C ATOM 331 OE1 GLU A 23 -8.658 5.535 -2.653 1.00 3.73 O ATOM 332 OE2 GLU A 23 -8.114 3.434 -3.146 1.00 3.80 O ATOM 0 H GLU A 23 -3.967 6.497 -1.137 1.00 0.48 H new ATOM 0 HA GLU A 23 -4.710 3.915 -1.892 1.00 0.53 H new ATOM 0 HB2 GLU A 23 -5.692 5.527 -0.188 1.00 0.69 H new ATOM 0 HB3 GLU A 23 -6.466 6.359 -1.522 1.00 0.69 H new ATOM 0 HG2 GLU A 23 -6.831 3.377 -1.044 1.00 1.27 H new ATOM 0 HG3 GLU A 23 -7.858 4.576 -0.284 1.00 1.27 H new ATOM 339 N SER A 24 -5.730 6.109 -4.133 1.00 0.39 N ATOM 340 CA SER A 24 -6.165 6.263 -5.512 1.00 0.46 C ATOM 341 C SER A 24 -5.079 5.803 -6.489 1.00 0.49 C ATOM 342 O SER A 24 -5.373 5.143 -7.485 1.00 0.64 O ATOM 343 CB SER A 24 -6.565 7.725 -5.745 1.00 0.54 C ATOM 344 OG SER A 24 -7.109 7.910 -7.037 1.00 0.82 O ATOM 0 H SER A 24 -5.769 6.975 -3.595 1.00 0.39 H new ATOM 0 HA SER A 24 -7.032 5.628 -5.696 1.00 0.46 H new ATOM 0 HB2 SER A 24 -7.295 8.029 -4.994 1.00 0.54 H new ATOM 0 HB3 SER A 24 -5.693 8.367 -5.620 1.00 0.54 H new ATOM 0 HG SER A 24 -7.356 8.851 -7.156 1.00 0.82 H new ATOM 350 N SER A 25 -3.813 6.136 -6.211 1.00 0.42 N ATOM 351 CA SER A 25 -2.722 5.820 -7.115 1.00 0.47 C ATOM 352 C SER A 25 -2.577 4.307 -7.183 1.00 0.55 C ATOM 353 O SER A 25 -2.648 3.728 -8.260 1.00 0.68 O ATOM 354 CB SER A 25 -1.430 6.514 -6.668 1.00 0.51 C ATOM 355 OG SER A 25 -0.383 6.282 -7.591 1.00 1.17 O ATOM 0 H SER A 25 -3.527 6.625 -5.363 1.00 0.42 H new ATOM 0 HA SER A 25 -2.937 6.193 -8.116 1.00 0.47 H new ATOM 0 HB2 SER A 25 -1.604 7.586 -6.572 1.00 0.51 H new ATOM 0 HB3 SER A 25 -1.139 6.148 -5.683 1.00 0.51 H new ATOM 0 HG SER A 25 -0.069 7.138 -7.951 1.00 1.17 H new ATOM 361 N LEU A 26 -2.430 3.651 -6.037 1.00 0.60 N ATOM 362 CA LEU A 26 -2.373 2.203 -5.962 1.00 0.67 C ATOM 363 C LEU A 26 -3.567 1.573 -6.675 1.00 0.65 C ATOM 364 O LEU A 26 -3.408 0.648 -7.470 1.00 0.65 O ATOM 365 CB LEU A 26 -2.366 1.787 -4.490 1.00 0.74 C ATOM 366 CG LEU A 26 -0.970 1.586 -3.896 1.00 0.93 C ATOM 367 CD1 LEU A 26 -0.051 2.803 -4.053 1.00 2.69 C ATOM 368 CD2 LEU A 26 -1.128 1.256 -2.410 1.00 1.95 C ATOM 0 H LEU A 26 -2.347 4.115 -5.132 1.00 0.60 H new ATOM 0 HA LEU A 26 -1.465 1.855 -6.455 1.00 0.67 H new ATOM 0 HB2 LEU A 26 -2.889 2.546 -3.908 1.00 0.74 H new ATOM 0 HB3 LEU A 26 -2.929 0.860 -4.384 1.00 0.74 H new ATOM 0 HG LEU A 26 -0.494 0.774 -4.446 1.00 0.93 H new ATOM 0 HD11 LEU A 26 0.920 2.585 -3.608 1.00 2.69 H new ATOM 0 HD12 LEU A 26 0.077 3.028 -5.112 1.00 2.69 H new ATOM 0 HD13 LEU A 26 -0.496 3.662 -3.551 1.00 2.69 H new ATOM 0 HD21 LEU A 26 -0.145 1.108 -1.964 1.00 1.95 H new ATOM 0 HD22 LEU A 26 -1.635 2.079 -1.906 1.00 1.95 H new ATOM 0 HD23 LEU A 26 -1.717 0.345 -2.300 1.00 1.95 H new ATOM 380 N THR A 27 -4.766 2.085 -6.414 1.00 0.66 N ATOM 381 CA THR A 27 -5.986 1.583 -7.018 1.00 0.70 C ATOM 382 C THR A 27 -6.009 1.745 -8.553 1.00 0.72 C ATOM 383 O THR A 27 -6.858 1.142 -9.209 1.00 1.01 O ATOM 384 CB THR A 27 -7.172 2.189 -6.253 1.00 0.84 C ATOM 385 OG1 THR A 27 -6.998 1.810 -4.900 1.00 2.09 O ATOM 386 CG2 THR A 27 -8.537 1.671 -6.712 1.00 1.48 C ATOM 0 H THR A 27 -4.914 2.864 -5.773 1.00 0.66 H new ATOM 0 HA THR A 27 -6.055 0.500 -6.916 1.00 0.70 H new ATOM 0 HB THR A 27 -7.175 3.266 -6.423 1.00 0.84 H new ATOM 0 HG1 THR A 27 -7.696 2.225 -4.352 1.00 2.09 H new ATOM 0 HG21 THR A 27 -9.323 2.146 -6.124 1.00 1.48 H new ATOM 0 HG22 THR A 27 -8.680 1.907 -7.767 1.00 1.48 H new ATOM 0 HG23 THR A 27 -8.582 0.591 -6.572 1.00 1.48 H new ATOM 394 N LYS A 28 -5.063 2.476 -9.163 1.00 0.85 N ATOM 395 CA LYS A 28 -4.908 2.478 -10.616 1.00 0.82 C ATOM 396 C LYS A 28 -4.332 1.152 -11.134 1.00 0.77 C ATOM 397 O LYS A 28 -4.513 0.819 -12.306 1.00 0.95 O ATOM 398 CB LYS A 28 -4.099 3.701 -11.091 1.00 0.94 C ATOM 399 CG LYS A 28 -2.568 3.552 -11.064 1.00 1.75 C ATOM 400 CD LYS A 28 -1.943 3.196 -12.418 1.00 2.92 C ATOM 401 CE LYS A 28 -0.432 2.990 -12.221 1.00 4.32 C ATOM 402 NZ LYS A 28 0.255 2.579 -13.462 1.00 5.57 N ATOM 0 H LYS A 28 -4.398 3.071 -8.669 1.00 0.85 H new ATOM 0 HA LYS A 28 -5.903 2.567 -11.053 1.00 0.82 H new ATOM 0 HB2 LYS A 28 -4.403 3.938 -12.111 1.00 0.94 H new ATOM 0 HB3 LYS A 28 -4.372 4.555 -10.470 1.00 0.94 H new ATOM 0 HG2 LYS A 28 -2.130 4.485 -10.710 1.00 1.75 H new ATOM 0 HG3 LYS A 28 -2.303 2.781 -10.341 1.00 1.75 H new ATOM 0 HD2 LYS A 28 -2.399 2.291 -12.819 1.00 2.92 H new ATOM 0 HD3 LYS A 28 -2.125 3.992 -13.140 1.00 2.92 H new ATOM 0 HE2 LYS A 28 0.012 3.916 -11.855 1.00 4.32 H new ATOM 0 HE3 LYS A 28 -0.270 2.233 -11.453 1.00 4.32 H new ATOM 0 HZ1 LYS A 28 1.270 2.454 -13.272 1.00 5.57 H new ATOM 0 HZ2 LYS A 28 -0.147 1.681 -13.800 1.00 5.57 H new ATOM 0 HZ3 LYS A 28 0.126 3.312 -14.189 1.00 5.57 H new ATOM 416 N HIS A 29 -3.591 0.410 -10.302 1.00 0.65 N ATOM 417 CA HIS A 29 -3.066 -0.892 -10.688 1.00 0.67 C ATOM 418 C HIS A 29 -4.250 -1.854 -10.793 1.00 0.85 C ATOM 419 O HIS A 29 -5.169 -1.791 -9.986 1.00 1.79 O ATOM 420 CB HIS A 29 -2.032 -1.406 -9.670 1.00 0.70 C ATOM 421 CG HIS A 29 -0.778 -0.572 -9.534 1.00 0.84 C ATOM 422 ND1 HIS A 29 0.524 -1.022 -9.625 1.00 1.81 N ATOM 423 CD2 HIS A 29 -0.721 0.741 -9.148 1.00 0.97 C ATOM 424 CE1 HIS A 29 1.330 0.011 -9.327 1.00 1.78 C ATOM 425 NE2 HIS A 29 0.616 1.116 -9.063 1.00 1.14 N ATOM 0 H HIS A 29 -3.344 0.697 -9.355 1.00 0.65 H new ATOM 0 HA HIS A 29 -2.549 -0.815 -11.645 1.00 0.67 H new ATOM 0 HB2 HIS A 29 -2.512 -1.471 -8.693 1.00 0.70 H new ATOM 0 HB3 HIS A 29 -1.744 -2.419 -9.951 1.00 0.70 H new ATOM 0 HD1 HIS A 29 0.820 -1.966 -9.873 1.00 1.81 H new ATOM 0 HD2 HIS A 29 -1.570 1.377 -8.944 1.00 0.97 H new ATOM 0 HE1 HIS A 29 2.408 -0.041 -9.303 1.00 1.78 H new ATOM 433 N ARG A 30 -4.255 -2.747 -11.784 1.00 0.91 N ATOM 434 CA ARG A 30 -5.380 -3.655 -11.972 1.00 0.98 C ATOM 435 C ARG A 30 -5.295 -4.866 -11.043 1.00 0.88 C ATOM 436 O ARG A 30 -6.320 -5.443 -10.697 1.00 1.69 O ATOM 437 CB ARG A 30 -5.473 -4.056 -13.451 1.00 1.34 C ATOM 438 CG ARG A 30 -6.689 -4.955 -13.722 1.00 2.13 C ATOM 439 CD ARG A 30 -6.962 -5.103 -15.226 1.00 2.92 C ATOM 440 NE ARG A 30 -7.346 -3.827 -15.855 1.00 3.55 N ATOM 441 CZ ARG A 30 -8.542 -3.225 -15.737 1.00 4.29 C ATOM 442 NH1 ARG A 30 -9.504 -3.791 -14.999 1.00 4.62 N ATOM 443 NH2 ARG A 30 -8.770 -2.061 -16.356 1.00 5.52 N ATOM 0 H ARG A 30 -3.500 -2.858 -12.461 1.00 0.91 H new ATOM 0 HA ARG A 30 -6.300 -3.138 -11.700 1.00 0.98 H new ATOM 0 HB2 ARG A 30 -5.539 -3.159 -14.067 1.00 1.34 H new ATOM 0 HB3 ARG A 30 -4.562 -4.578 -13.744 1.00 1.34 H new ATOM 0 HG2 ARG A 30 -6.519 -5.939 -13.284 1.00 2.13 H new ATOM 0 HG3 ARG A 30 -7.568 -4.536 -13.232 1.00 2.13 H new ATOM 0 HD2 ARG A 30 -6.071 -5.494 -15.718 1.00 2.92 H new ATOM 0 HD3 ARG A 30 -7.756 -5.834 -15.378 1.00 2.92 H new ATOM 0 HE ARG A 30 -6.644 -3.360 -16.429 1.00 3.55 H new ATOM 0 HH11 ARG A 30 -9.329 -4.678 -14.527 1.00 4.62 H new ATOM 0 HH12 ARG A 30 -10.412 -3.335 -14.909 1.00 4.62 H new ATOM 0 HH21 ARG A 30 -8.036 -1.630 -16.918 1.00 5.52 H new ATOM 0 HH22 ARG A 30 -9.678 -1.605 -16.266 1.00 5.52 H new ATOM 457 N GLY A 31 -4.084 -5.268 -10.651 1.00 0.72 N ATOM 458 CA GLY A 31 -3.876 -6.483 -9.875 1.00 0.71 C ATOM 459 C GLY A 31 -4.029 -6.285 -8.363 1.00 0.66 C ATOM 460 O GLY A 31 -3.775 -7.219 -7.601 1.00 0.91 O ATOM 0 H GLY A 31 -3.226 -4.760 -10.864 1.00 0.72 H new ATOM 0 HA2 GLY A 31 -4.586 -7.241 -10.206 1.00 0.71 H new ATOM 0 HA3 GLY A 31 -2.878 -6.869 -10.082 1.00 0.71 H new ATOM 464 N ILE A 32 -4.437 -5.090 -7.912 1.00 0.68 N ATOM 465 CA ILE A 32 -4.916 -4.931 -6.546 1.00 0.69 C ATOM 466 C ILE A 32 -6.371 -5.400 -6.459 1.00 0.81 C ATOM 467 O ILE A 32 -7.074 -5.485 -7.462 1.00 1.32 O ATOM 468 CB ILE A 32 -4.701 -3.511 -5.981 1.00 0.86 C ATOM 469 CG1 ILE A 32 -5.022 -2.347 -6.919 1.00 1.65 C ATOM 470 CG2 ILE A 32 -3.251 -3.349 -5.504 1.00 1.35 C ATOM 471 CD1 ILE A 32 -6.490 -2.296 -7.344 1.00 2.99 C ATOM 0 H ILE A 32 -4.443 -4.236 -8.469 1.00 0.68 H new ATOM 0 HA ILE A 32 -4.310 -5.565 -5.899 1.00 0.69 H new ATOM 0 HB ILE A 32 -5.424 -3.446 -5.168 1.00 0.86 H new ATOM 0 HG12 ILE A 32 -4.762 -1.410 -6.426 1.00 1.65 H new ATOM 0 HG13 ILE A 32 -4.396 -2.424 -7.808 1.00 1.65 H new ATOM 0 HG21 ILE A 32 -3.109 -2.344 -5.107 1.00 1.35 H new ATOM 0 HG22 ILE A 32 -3.041 -4.080 -4.724 1.00 1.35 H new ATOM 0 HG23 ILE A 32 -2.572 -3.507 -6.342 1.00 1.35 H new ATOM 0 HD11 ILE A 32 -6.647 -1.446 -8.008 1.00 2.99 H new ATOM 0 HD12 ILE A 32 -6.750 -3.217 -7.865 1.00 2.99 H new ATOM 0 HD13 ILE A 32 -7.121 -2.188 -6.462 1.00 2.99 H new ATOM 483 N LEU A 33 -6.806 -5.724 -5.243 1.00 0.58 N ATOM 484 CA LEU A 33 -8.166 -6.123 -4.911 1.00 0.72 C ATOM 485 C LEU A 33 -8.800 -5.060 -4.012 1.00 0.71 C ATOM 486 O LEU A 33 -9.985 -4.769 -4.152 1.00 0.91 O ATOM 487 CB LEU A 33 -8.168 -7.493 -4.215 1.00 0.83 C ATOM 488 CG LEU A 33 -7.450 -8.597 -5.008 1.00 1.19 C ATOM 489 CD1 LEU A 33 -7.353 -9.865 -4.153 1.00 2.25 C ATOM 490 CD2 LEU A 33 -8.166 -8.919 -6.325 1.00 1.41 C ATOM 0 H LEU A 33 -6.191 -5.714 -4.429 1.00 0.58 H new ATOM 0 HA LEU A 33 -8.750 -6.210 -5.827 1.00 0.72 H new ATOM 0 HB2 LEU A 33 -7.694 -7.394 -3.239 1.00 0.83 H new ATOM 0 HB3 LEU A 33 -9.199 -7.798 -4.039 1.00 0.83 H new ATOM 0 HG LEU A 33 -6.453 -8.231 -5.254 1.00 1.19 H new ATOM 0 HD11 LEU A 33 -6.844 -10.646 -4.717 1.00 2.25 H new ATOM 0 HD12 LEU A 33 -6.791 -9.649 -3.244 1.00 2.25 H new ATOM 0 HD13 LEU A 33 -8.355 -10.203 -3.889 1.00 2.25 H new ATOM 0 HD21 LEU A 33 -7.623 -9.704 -6.852 1.00 1.41 H new ATOM 0 HD22 LEU A 33 -9.180 -9.258 -6.114 1.00 1.41 H new ATOM 0 HD23 LEU A 33 -8.204 -8.025 -6.947 1.00 1.41 H new ATOM 502 N TYR A 34 -8.039 -4.502 -3.064 1.00 0.55 N ATOM 503 CA TYR A 34 -8.494 -3.403 -2.223 1.00 0.54 C ATOM 504 C TYR A 34 -7.284 -2.628 -1.699 1.00 0.48 C ATOM 505 O TYR A 34 -6.196 -3.195 -1.608 1.00 0.45 O ATOM 506 CB TYR A 34 -9.339 -3.959 -1.070 1.00 0.58 C ATOM 507 CG TYR A 34 -9.904 -2.907 -0.141 1.00 0.61 C ATOM 508 CD1 TYR A 34 -10.835 -1.973 -0.627 1.00 1.96 C ATOM 509 CD2 TYR A 34 -9.464 -2.833 1.194 1.00 2.07 C ATOM 510 CE1 TYR A 34 -11.316 -0.956 0.215 1.00 2.03 C ATOM 511 CE2 TYR A 34 -9.987 -1.849 2.048 1.00 2.10 C ATOM 512 CZ TYR A 34 -10.887 -0.892 1.552 1.00 0.88 C ATOM 513 OH TYR A 34 -11.351 0.088 2.377 1.00 1.10 O ATOM 0 H TYR A 34 -7.086 -4.806 -2.862 1.00 0.55 H new ATOM 0 HA TYR A 34 -9.114 -2.719 -2.803 1.00 0.54 H new ATOM 0 HB2 TYR A 34 -10.163 -4.538 -1.487 1.00 0.58 H new ATOM 0 HB3 TYR A 34 -8.728 -4.649 -0.488 1.00 0.58 H new ATOM 0 HD1 TYR A 34 -11.181 -2.037 -1.648 1.00 1.96 H new ATOM 0 HD2 TYR A 34 -8.726 -3.531 1.560 1.00 2.07 H new ATOM 0 HE1 TYR A 34 -12.014 -0.225 -0.165 1.00 2.03 H new ATOM 0 HE2 TYR A 34 -9.697 -1.828 3.088 1.00 2.10 H new ATOM 0 HH TYR A 34 -10.953 -0.017 3.266 1.00 1.10 H new ATOM 523 N CYS A 35 -7.488 -1.360 -1.333 1.00 0.55 N ATOM 524 CA CYS A 35 -6.488 -0.481 -0.743 1.00 0.61 C ATOM 525 C CYS A 35 -7.189 0.283 0.376 1.00 0.69 C ATOM 526 O CYS A 35 -8.304 0.761 0.183 1.00 1.05 O ATOM 527 CB CYS A 35 -5.956 0.518 -1.784 1.00 0.81 C ATOM 528 SG CYS A 35 -5.200 -0.301 -3.208 1.00 2.65 S ATOM 0 H CYS A 35 -8.393 -0.904 -1.446 1.00 0.55 H new ATOM 0 HA CYS A 35 -5.641 -1.060 -0.374 1.00 0.61 H new ATOM 0 HB2 CYS A 35 -6.774 1.152 -2.126 1.00 0.81 H new ATOM 0 HB3 CYS A 35 -5.222 1.172 -1.313 1.00 0.81 H new ATOM 0 HG CYS A 35 -5.643 0.238 -4.305 1.00 2.65 H new ATOM 534 N SER A 36 -6.554 0.399 1.541 1.00 0.67 N ATOM 535 CA SER A 36 -6.919 1.365 2.565 1.00 0.92 C ATOM 536 C SER A 36 -5.631 1.754 3.278 1.00 0.84 C ATOM 537 O SER A 36 -4.751 0.904 3.420 1.00 1.34 O ATOM 538 CB SER A 36 -7.940 0.760 3.529 1.00 1.18 C ATOM 539 OG SER A 36 -8.325 1.703 4.510 1.00 1.96 O ATOM 0 H SER A 36 -5.760 -0.186 1.800 1.00 0.67 H new ATOM 0 HA SER A 36 -7.390 2.248 2.132 1.00 0.92 H new ATOM 0 HB2 SER A 36 -8.817 0.427 2.975 1.00 1.18 H new ATOM 0 HB3 SER A 36 -7.514 -0.120 4.011 1.00 1.18 H new ATOM 0 HG SER A 36 -8.980 1.296 5.115 1.00 1.96 H new ATOM 545 N VAL A 37 -5.501 3.022 3.680 1.00 0.72 N ATOM 546 CA VAL A 37 -4.297 3.574 4.283 1.00 0.62 C ATOM 547 C VAL A 37 -4.701 4.465 5.462 1.00 0.73 C ATOM 548 O VAL A 37 -5.741 5.118 5.402 1.00 0.99 O ATOM 549 CB VAL A 37 -3.451 4.313 3.226 1.00 0.72 C ATOM 550 CG1 VAL A 37 -3.245 3.513 1.936 1.00 1.24 C ATOM 551 CG2 VAL A 37 -4.073 5.638 2.798 1.00 1.79 C ATOM 0 H VAL A 37 -6.253 3.705 3.590 1.00 0.72 H new ATOM 0 HA VAL A 37 -3.662 2.777 4.669 1.00 0.62 H new ATOM 0 HB VAL A 37 -2.498 4.467 3.733 1.00 0.72 H new ATOM 0 HG11 VAL A 37 -2.641 4.095 1.239 1.00 1.24 H new ATOM 0 HG12 VAL A 37 -2.734 2.578 2.165 1.00 1.24 H new ATOM 0 HG13 VAL A 37 -4.213 3.296 1.484 1.00 1.24 H new ATOM 0 HG21 VAL A 37 -3.436 6.115 2.053 1.00 1.79 H new ATOM 0 HG22 VAL A 37 -5.058 5.456 2.369 1.00 1.79 H new ATOM 0 HG23 VAL A 37 -4.170 6.291 3.665 1.00 1.79 H new ATOM 561 N ALA A 38 -3.904 4.473 6.536 1.00 0.60 N ATOM 562 CA ALA A 38 -4.191 5.184 7.775 1.00 0.66 C ATOM 563 C ALA A 38 -2.906 5.796 8.337 1.00 0.65 C ATOM 564 O ALA A 38 -2.030 5.071 8.801 1.00 0.75 O ATOM 565 CB ALA A 38 -4.803 4.213 8.789 1.00 0.71 C ATOM 0 H ALA A 38 -3.018 3.969 6.562 1.00 0.60 H new ATOM 0 HA ALA A 38 -4.900 5.988 7.576 1.00 0.66 H new ATOM 0 HB1 ALA A 38 -5.018 4.743 9.717 1.00 0.71 H new ATOM 0 HB2 ALA A 38 -5.727 3.799 8.385 1.00 0.71 H new ATOM 0 HB3 ALA A 38 -4.100 3.404 8.988 1.00 0.71 H new ATOM 571 N LEU A 39 -2.812 7.129 8.321 1.00 0.71 N ATOM 572 CA LEU A 39 -1.679 7.904 8.832 1.00 0.79 C ATOM 573 C LEU A 39 -1.593 7.908 10.360 1.00 0.94 C ATOM 574 O LEU A 39 -0.514 8.121 10.909 1.00 1.17 O ATOM 575 CB LEU A 39 -1.655 9.337 8.263 1.00 1.06 C ATOM 576 CG LEU A 39 -2.983 10.111 8.170 1.00 0.81 C ATOM 577 CD1 LEU A 39 -3.668 10.331 9.523 1.00 1.38 C ATOM 578 CD2 LEU A 39 -2.689 11.477 7.540 1.00 1.18 C ATOM 0 H LEU A 39 -3.550 7.719 7.938 1.00 0.71 H new ATOM 0 HA LEU A 39 -0.786 7.391 8.475 1.00 0.79 H new ATOM 0 HB2 LEU A 39 -0.970 9.925 8.874 1.00 1.06 H new ATOM 0 HB3 LEU A 39 -1.228 9.289 7.261 1.00 1.06 H new ATOM 0 HG LEU A 39 -3.667 9.511 7.570 1.00 0.81 H new ATOM 0 HD11 LEU A 39 -4.596 10.883 9.375 1.00 1.38 H new ATOM 0 HD12 LEU A 39 -3.888 9.366 9.981 1.00 1.38 H new ATOM 0 HD13 LEU A 39 -3.008 10.901 10.177 1.00 1.38 H new ATOM 0 HD21 LEU A 39 -3.614 12.048 7.462 1.00 1.18 H new ATOM 0 HD22 LEU A 39 -1.979 12.020 8.164 1.00 1.18 H new ATOM 0 HD23 LEU A 39 -2.265 11.335 6.546 1.00 1.18 H new ATOM 590 N ALA A 40 -2.709 7.661 11.052 1.00 1.01 N ATOM 591 CA ALA A 40 -2.714 7.552 12.505 1.00 1.27 C ATOM 592 C ALA A 40 -1.961 6.283 12.895 1.00 1.18 C ATOM 593 O ALA A 40 -1.049 6.306 13.714 1.00 1.53 O ATOM 594 CB ALA A 40 -4.157 7.531 13.018 1.00 1.55 C ATOM 0 H ALA A 40 -3.625 7.533 10.621 1.00 1.01 H new ATOM 0 HA ALA A 40 -2.218 8.410 12.958 1.00 1.27 H new ATOM 0 HB1 ALA A 40 -4.156 7.449 14.105 1.00 1.55 H new ATOM 0 HB2 ALA A 40 -4.661 8.452 12.724 1.00 1.55 H new ATOM 0 HB3 ALA A 40 -4.683 6.677 12.591 1.00 1.55 H new ATOM 600 N THR A 41 -2.339 5.173 12.260 1.00 0.91 N ATOM 601 CA THR A 41 -1.731 3.872 12.461 1.00 0.84 C ATOM 602 C THR A 41 -0.400 3.766 11.700 1.00 0.83 C ATOM 603 O THR A 41 0.418 2.905 12.006 1.00 1.14 O ATOM 604 CB THR A 41 -2.738 2.812 11.992 1.00 1.02 C ATOM 605 OG1 THR A 41 -4.059 3.288 12.173 1.00 2.09 O ATOM 606 CG2 THR A 41 -2.563 1.505 12.769 1.00 1.37 C ATOM 0 H THR A 41 -3.096 5.161 11.576 1.00 0.91 H new ATOM 0 HA THR A 41 -1.497 3.717 13.514 1.00 0.84 H new ATOM 0 HB THR A 41 -2.555 2.618 10.935 1.00 1.02 H new ATOM 0 HG1 THR A 41 -4.696 2.608 11.870 1.00 2.09 H new ATOM 0 HG21 THR A 41 -3.289 0.772 12.416 1.00 1.37 H new ATOM 0 HG22 THR A 41 -1.555 1.121 12.613 1.00 1.37 H new ATOM 0 HG23 THR A 41 -2.721 1.690 13.832 1.00 1.37 H new ATOM 614 N ASN A 42 -0.205 4.629 10.695 1.00 0.67 N ATOM 615 CA ASN A 42 0.905 4.611 9.750 1.00 0.71 C ATOM 616 C ASN A 42 0.946 3.286 9.028 1.00 0.75 C ATOM 617 O ASN A 42 2.005 2.685 8.911 1.00 0.97 O ATOM 618 CB ASN A 42 2.249 4.907 10.428 1.00 0.82 C ATOM 619 CG ASN A 42 2.273 6.305 10.995 1.00 0.81 C ATOM 620 OD1 ASN A 42 2.589 6.526 12.162 1.00 1.55 O ATOM 621 ND2 ASN A 42 1.961 7.284 10.162 1.00 1.28 N ATOM 0 H ASN A 42 -0.853 5.395 10.515 1.00 0.67 H new ATOM 0 HA ASN A 42 0.737 5.408 9.025 1.00 0.71 H new ATOM 0 HB2 ASN A 42 2.425 4.185 11.225 1.00 0.82 H new ATOM 0 HB3 ASN A 42 3.058 4.789 9.707 1.00 0.82 H new ATOM 0 HD21 ASN A 42 1.979 8.252 10.483 1.00 1.28 H new ATOM 0 HD22 ASN A 42 1.702 7.071 9.199 1.00 1.28 H new ATOM 628 N LYS A 43 -0.207 2.825 8.550 1.00 0.67 N ATOM 629 CA LYS A 43 -0.347 1.483 8.017 1.00 0.72 C ATOM 630 C LYS A 43 -1.218 1.507 6.775 1.00 0.70 C ATOM 631 O LYS A 43 -2.000 2.440 6.591 1.00 0.78 O ATOM 632 CB LYS A 43 -0.815 0.547 9.148 1.00 1.00 C ATOM 633 CG LYS A 43 -1.661 -0.666 8.745 1.00 1.68 C ATOM 634 CD LYS A 43 -3.125 -0.268 8.460 1.00 1.25 C ATOM 635 CE LYS A 43 -4.052 -0.670 9.614 1.00 1.99 C ATOM 636 NZ LYS A 43 -4.199 -2.136 9.726 1.00 3.32 N ATOM 0 H LYS A 43 -1.066 3.374 8.524 1.00 0.67 H new ATOM 0 HA LYS A 43 0.604 1.077 7.673 1.00 0.72 H new ATOM 0 HB2 LYS A 43 0.068 0.184 9.674 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -1.390 1.139 9.861 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -1.231 -1.132 7.859 1.00 1.68 H new ATOM 0 HG3 LYS A 43 -1.634 -1.410 9.541 1.00 1.68 H new ATOM 0 HD2 LYS A 43 -3.186 0.809 8.301 1.00 1.25 H new ATOM 0 HD3 LYS A 43 -3.460 -0.746 7.539 1.00 1.25 H new ATOM 0 HE2 LYS A 43 -3.658 -0.273 10.550 1.00 1.99 H new ATOM 0 HE3 LYS A 43 -5.033 -0.218 9.464 1.00 1.99 H new ATOM 0 HZ1 LYS A 43 -4.847 -2.361 10.508 1.00 3.32 H new ATOM 0 HZ2 LYS A 43 -4.584 -2.515 8.837 1.00 3.32 H new ATOM 0 HZ3 LYS A 43 -3.270 -2.565 9.912 1.00 3.32 H new ATOM 650 N ALA A 44 -1.079 0.486 5.928 1.00 0.70 N ATOM 651 CA ALA A 44 -1.898 0.308 4.753 1.00 0.74 C ATOM 652 C ALA A 44 -2.260 -1.153 4.659 1.00 0.73 C ATOM 653 O ALA A 44 -1.384 -2.012 4.745 1.00 0.98 O ATOM 654 CB ALA A 44 -1.192 0.803 3.491 1.00 0.78 C ATOM 0 H ALA A 44 -0.380 -0.246 6.051 1.00 0.70 H new ATOM 0 HA ALA A 44 -2.805 0.907 4.838 1.00 0.74 H new ATOM 0 HB1 ALA A 44 -1.841 0.652 2.628 1.00 0.78 H new ATOM 0 HB2 ALA A 44 -0.966 1.864 3.593 1.00 0.78 H new ATOM 0 HB3 ALA A 44 -0.265 0.246 3.350 1.00 0.78 H new ATOM 660 N HIS A 45 -3.564 -1.383 4.531 1.00 0.62 N ATOM 661 CA HIS A 45 -4.187 -2.662 4.315 1.00 0.71 C ATOM 662 C HIS A 45 -4.463 -2.727 2.826 1.00 0.63 C ATOM 663 O HIS A 45 -5.441 -2.160 2.334 1.00 0.66 O ATOM 664 CB HIS A 45 -5.456 -2.748 5.164 1.00 0.86 C ATOM 665 CG HIS A 45 -6.016 -4.139 5.165 1.00 0.91 C ATOM 666 ND1 HIS A 45 -5.771 -5.101 6.113 1.00 0.85 N ATOM 667 CD2 HIS A 45 -6.610 -4.747 4.101 1.00 0.96 C ATOM 668 CE1 HIS A 45 -6.249 -6.264 5.639 1.00 0.89 C ATOM 669 NE2 HIS A 45 -6.771 -6.102 4.409 1.00 0.92 N ATOM 0 H HIS A 45 -4.246 -0.626 4.580 1.00 0.62 H new ATOM 0 HA HIS A 45 -3.567 -3.508 4.612 1.00 0.71 H new ATOM 0 HB2 HIS A 45 -5.234 -2.442 6.186 1.00 0.86 H new ATOM 0 HB3 HIS A 45 -6.202 -2.053 4.778 1.00 0.86 H new ATOM 0 HD1 HIS A 45 -5.311 -4.959 7.012 1.00 0.85 H new ATOM 0 HD2 HIS A 45 -6.905 -4.267 3.180 1.00 0.96 H new ATOM 0 HE1 HIS A 45 -6.218 -7.202 6.173 1.00 0.89 H new ATOM 677 N ILE A 46 -3.568 -3.398 2.114 1.00 0.63 N ATOM 678 CA ILE A 46 -3.769 -3.740 0.727 1.00 0.59 C ATOM 679 C ILE A 46 -4.346 -5.146 0.718 1.00 0.73 C ATOM 680 O ILE A 46 -3.999 -5.968 1.566 1.00 1.19 O ATOM 681 CB ILE A 46 -2.444 -3.700 -0.048 1.00 0.66 C ATOM 682 CG1 ILE A 46 -1.498 -2.587 0.423 1.00 1.48 C ATOM 683 CG2 ILE A 46 -2.720 -3.593 -1.556 1.00 1.20 C ATOM 684 CD1 ILE A 46 -2.090 -1.181 0.342 1.00 1.79 C ATOM 0 H ILE A 46 -2.677 -3.719 2.493 1.00 0.63 H new ATOM 0 HA ILE A 46 -4.438 -3.029 0.243 1.00 0.59 H new ATOM 0 HB ILE A 46 -1.925 -4.636 0.159 1.00 0.66 H new ATOM 0 HG12 ILE A 46 -1.206 -2.787 1.454 1.00 1.48 H new ATOM 0 HG13 ILE A 46 -0.589 -2.621 -0.178 1.00 1.48 H new ATOM 0 HG21 ILE A 46 -1.775 -3.565 -2.098 1.00 1.20 H new ATOM 0 HG22 ILE A 46 -3.300 -4.457 -1.882 1.00 1.20 H new ATOM 0 HG23 ILE A 46 -3.282 -2.681 -1.759 1.00 1.20 H new ATOM 0 HD11 ILE A 46 -1.356 -0.456 0.693 1.00 1.79 H new ATOM 0 HD12 ILE A 46 -2.355 -0.957 -0.691 1.00 1.79 H new ATOM 0 HD13 ILE A 46 -2.982 -1.125 0.966 1.00 1.79 H new ATOM 696 N LYS A 47 -5.193 -5.440 -0.257 1.00 0.49 N ATOM 697 CA LYS A 47 -5.479 -6.799 -0.661 1.00 0.53 C ATOM 698 C LYS A 47 -5.176 -6.823 -2.153 1.00 0.52 C ATOM 699 O LYS A 47 -5.500 -5.853 -2.837 1.00 0.66 O ATOM 700 CB LYS A 47 -6.925 -7.143 -0.318 1.00 0.66 C ATOM 701 CG LYS A 47 -7.201 -6.968 1.181 1.00 0.74 C ATOM 702 CD LYS A 47 -8.456 -7.700 1.684 1.00 1.34 C ATOM 703 CE LYS A 47 -9.790 -7.122 1.179 1.00 2.59 C ATOM 704 NZ LYS A 47 -10.067 -7.452 -0.234 1.00 3.73 N ATOM 0 H LYS A 47 -5.702 -4.735 -0.790 1.00 0.49 H new ATOM 0 HA LYS A 47 -4.883 -7.554 -0.147 1.00 0.53 H new ATOM 0 HB2 LYS A 47 -7.598 -6.505 -0.890 1.00 0.66 H new ATOM 0 HB3 LYS A 47 -7.135 -8.172 -0.611 1.00 0.66 H new ATOM 0 HG2 LYS A 47 -6.337 -7.326 1.742 1.00 0.74 H new ATOM 0 HG3 LYS A 47 -7.304 -5.905 1.398 1.00 0.74 H new ATOM 0 HD2 LYS A 47 -8.393 -8.746 1.384 1.00 1.34 H new ATOM 0 HD3 LYS A 47 -8.458 -7.681 2.774 1.00 1.34 H new ATOM 0 HE2 LYS A 47 -10.602 -7.501 1.800 1.00 2.59 H new ATOM 0 HE3 LYS A 47 -9.777 -6.038 1.297 1.00 2.59 H new ATOM 0 HZ1 LYS A 47 -11.087 -7.611 -0.360 1.00 3.73 H new ATOM 0 HZ2 LYS A 47 -9.762 -6.664 -0.841 1.00 3.73 H new ATOM 0 HZ3 LYS A 47 -9.547 -8.313 -0.498 1.00 3.73 H new ATOM 718 N TYR A 48 -4.490 -7.857 -2.640 1.00 0.66 N ATOM 719 CA TYR A 48 -3.826 -7.835 -3.932 1.00 0.67 C ATOM 720 C TYR A 48 -3.653 -9.256 -4.450 1.00 0.60 C ATOM 721 O TYR A 48 -3.699 -10.194 -3.658 1.00 0.69 O ATOM 722 CB TYR A 48 -2.462 -7.141 -3.798 1.00 0.83 C ATOM 723 CG TYR A 48 -1.404 -7.921 -3.031 1.00 0.86 C ATOM 724 CD1 TYR A 48 -1.511 -8.080 -1.636 1.00 1.92 C ATOM 725 CD2 TYR A 48 -0.326 -8.515 -3.715 1.00 1.44 C ATOM 726 CE1 TYR A 48 -0.597 -8.898 -0.950 1.00 2.08 C ATOM 727 CE2 TYR A 48 0.611 -9.295 -3.016 1.00 1.45 C ATOM 728 CZ TYR A 48 0.456 -9.513 -1.640 1.00 1.16 C ATOM 729 OH TYR A 48 1.341 -10.296 -0.963 1.00 1.36 O ATOM 0 H TYR A 48 -4.382 -8.739 -2.140 1.00 0.66 H new ATOM 0 HA TYR A 48 -4.435 -7.279 -4.644 1.00 0.67 H new ATOM 0 HB2 TYR A 48 -2.081 -6.931 -4.797 1.00 0.83 H new ATOM 0 HB3 TYR A 48 -2.609 -6.180 -3.305 1.00 0.83 H new ATOM 0 HD1 TYR A 48 -2.295 -7.573 -1.093 1.00 1.92 H new ATOM 0 HD2 TYR A 48 -0.219 -8.371 -4.780 1.00 1.44 H new ATOM 0 HE1 TYR A 48 -0.707 -9.053 0.113 1.00 2.08 H new ATOM 0 HE2 TYR A 48 1.451 -9.727 -3.539 1.00 1.45 H new ATOM 0 HH TYR A 48 2.010 -10.648 -1.587 1.00 1.36 H new ATOM 739 N ASP A 49 -3.434 -9.416 -5.757 1.00 0.66 N ATOM 740 CA ASP A 49 -3.069 -10.705 -6.316 1.00 0.74 C ATOM 741 C ASP A 49 -1.534 -10.796 -6.389 1.00 0.78 C ATOM 742 O ASP A 49 -0.882 -9.894 -6.936 1.00 0.93 O ATOM 743 CB ASP A 49 -3.734 -10.873 -7.678 1.00 0.90 C ATOM 744 CG ASP A 49 -3.388 -12.225 -8.285 1.00 1.88 C ATOM 745 OD1 ASP A 49 -2.173 -12.489 -8.420 1.00 3.15 O ATOM 746 OD2 ASP A 49 -4.344 -12.969 -8.583 1.00 2.46 O ATOM 0 H ASP A 49 -3.505 -8.664 -6.443 1.00 0.66 H new ATOM 0 HA ASP A 49 -3.421 -11.521 -5.685 1.00 0.74 H new ATOM 0 HB2 ASP A 49 -4.815 -10.782 -7.574 1.00 0.90 H new ATOM 0 HB3 ASP A 49 -3.410 -10.075 -8.347 1.00 0.90 H new ATOM 751 N PRO A 50 -0.934 -11.847 -5.806 1.00 0.77 N ATOM 752 CA PRO A 50 0.505 -11.961 -5.683 1.00 0.87 C ATOM 753 C PRO A 50 1.219 -12.252 -7.006 1.00 1.08 C ATOM 754 O PRO A 50 2.440 -12.102 -7.043 1.00 1.77 O ATOM 755 CB PRO A 50 0.743 -13.064 -4.650 1.00 0.89 C ATOM 756 CG PRO A 50 -0.474 -13.967 -4.826 1.00 0.87 C ATOM 757 CD PRO A 50 -1.588 -12.977 -5.162 1.00 0.78 C ATOM 0 HA PRO A 50 0.930 -11.008 -5.370 1.00 0.87 H new ATOM 0 HB2 PRO A 50 1.674 -13.599 -4.838 1.00 0.89 H new ATOM 0 HB3 PRO A 50 0.805 -12.663 -3.638 1.00 0.89 H new ATOM 0 HG2 PRO A 50 -0.325 -14.694 -5.624 1.00 0.87 H new ATOM 0 HG3 PRO A 50 -0.694 -14.530 -3.919 1.00 0.87 H new ATOM 0 HD2 PRO A 50 -2.327 -13.430 -5.823 1.00 0.78 H new ATOM 0 HD3 PRO A 50 -2.116 -12.662 -4.262 1.00 0.78 H new ATOM 765 N GLU A 51 0.513 -12.658 -8.070 1.00 0.91 N ATOM 766 CA GLU A 51 1.126 -13.038 -9.338 1.00 1.09 C ATOM 767 C GLU A 51 0.625 -12.183 -10.509 1.00 0.92 C ATOM 768 O GLU A 51 0.748 -12.584 -11.666 1.00 1.73 O ATOM 769 CB GLU A 51 1.009 -14.556 -9.551 1.00 1.82 C ATOM 770 CG GLU A 51 -0.410 -15.123 -9.414 1.00 1.71 C ATOM 771 CD GLU A 51 -0.393 -16.638 -9.563 1.00 2.27 C ATOM 772 OE1 GLU A 51 -0.087 -17.301 -8.549 1.00 3.15 O ATOM 773 OE2 GLU A 51 -0.650 -17.107 -10.693 1.00 2.70 O ATOM 0 H GLU A 51 -0.504 -12.730 -8.069 1.00 0.91 H new ATOM 0 HA GLU A 51 2.193 -12.818 -9.296 1.00 1.09 H new ATOM 0 HB2 GLU A 51 1.386 -14.798 -10.544 1.00 1.82 H new ATOM 0 HB3 GLU A 51 1.656 -15.059 -8.833 1.00 1.82 H new ATOM 0 HG2 GLU A 51 -0.825 -14.851 -8.443 1.00 1.71 H new ATOM 0 HG3 GLU A 51 -1.059 -14.684 -10.172 1.00 1.71 H new ATOM 780 N ILE A 52 0.167 -10.955 -10.228 1.00 0.86 N ATOM 781 CA ILE A 52 0.068 -9.897 -11.225 1.00 0.86 C ATOM 782 C ILE A 52 0.666 -8.596 -10.680 1.00 0.73 C ATOM 783 O ILE A 52 1.665 -8.128 -11.220 1.00 1.22 O ATOM 784 CB ILE A 52 -1.354 -9.778 -11.815 1.00 1.02 C ATOM 785 CG1 ILE A 52 -1.522 -8.558 -12.735 1.00 2.05 C ATOM 786 CG2 ILE A 52 -2.466 -9.791 -10.770 1.00 1.95 C ATOM 787 CD1 ILE A 52 -0.520 -8.588 -13.890 1.00 3.57 C ATOM 0 H ILE A 52 -0.144 -10.674 -9.298 1.00 0.86 H new ATOM 0 HA ILE A 52 0.676 -10.160 -12.090 1.00 0.86 H new ATOM 0 HB ILE A 52 -1.460 -10.683 -12.414 1.00 1.02 H new ATOM 0 HG12 ILE A 52 -2.537 -8.537 -13.132 1.00 2.05 H new ATOM 0 HG13 ILE A 52 -1.387 -7.644 -12.158 1.00 2.05 H new ATOM 0 HG21 ILE A 52 -3.433 -9.703 -11.266 1.00 1.95 H new ATOM 0 HG22 ILE A 52 -2.429 -10.726 -10.211 1.00 1.95 H new ATOM 0 HG23 ILE A 52 -2.332 -8.953 -10.086 1.00 1.95 H new ATOM 0 HD11 ILE A 52 -0.666 -7.711 -14.521 1.00 3.57 H new ATOM 0 HD12 ILE A 52 0.495 -8.583 -13.492 1.00 3.57 H new ATOM 0 HD13 ILE A 52 -0.673 -9.491 -14.481 1.00 3.57 H new ATOM 799 N ILE A 53 0.104 -8.001 -9.618 1.00 0.86 N ATOM 800 CA ILE A 53 0.705 -6.797 -9.042 1.00 1.07 C ATOM 801 C ILE A 53 1.892 -7.220 -8.174 1.00 1.20 C ATOM 802 O ILE A 53 2.974 -6.647 -8.267 1.00 3.03 O ATOM 803 CB ILE A 53 -0.344 -5.918 -8.325 1.00 1.03 C ATOM 804 CG1 ILE A 53 -0.091 -4.409 -8.461 1.00 1.49 C ATOM 805 CG2 ILE A 53 -0.617 -6.289 -6.867 1.00 1.05 C ATOM 806 CD1 ILE A 53 1.288 -3.974 -7.980 1.00 1.24 C ATOM 0 H ILE A 53 -0.744 -8.326 -9.153 1.00 0.86 H new ATOM 0 HA ILE A 53 1.091 -6.145 -9.826 1.00 1.07 H new ATOM 0 HB ILE A 53 -1.256 -6.152 -8.875 1.00 1.03 H new ATOM 0 HG12 ILE A 53 -0.209 -4.122 -9.506 1.00 1.49 H new ATOM 0 HG13 ILE A 53 -0.850 -3.870 -7.895 1.00 1.49 H new ATOM 0 HG21 ILE A 53 -1.367 -5.614 -6.454 1.00 1.05 H new ATOM 0 HG22 ILE A 53 -0.984 -7.314 -6.815 1.00 1.05 H new ATOM 0 HG23 ILE A 53 0.305 -6.204 -6.291 1.00 1.05 H new ATOM 0 HD11 ILE A 53 1.394 -2.897 -8.107 1.00 1.24 H new ATOM 0 HD12 ILE A 53 1.403 -4.229 -6.926 1.00 1.24 H new ATOM 0 HD13 ILE A 53 2.054 -4.485 -8.562 1.00 1.24 H new ATOM 818 N GLY A 54 1.713 -8.268 -7.363 1.00 1.75 N ATOM 819 CA GLY A 54 2.791 -8.759 -6.522 1.00 1.55 C ATOM 820 C GLY A 54 3.049 -7.834 -5.331 1.00 1.30 C ATOM 821 O GLY A 54 2.510 -6.731 -5.252 1.00 1.52 O ATOM 0 H GLY A 54 0.837 -8.784 -7.277 1.00 1.75 H new ATOM 0 HA2 GLY A 54 2.544 -9.757 -6.160 1.00 1.55 H new ATOM 0 HA3 GLY A 54 3.701 -8.851 -7.115 1.00 1.55 H new ATOM 825 N PRO A 55 3.850 -8.291 -4.358 1.00 1.04 N ATOM 826 CA PRO A 55 4.011 -7.588 -3.101 1.00 1.11 C ATOM 827 C PRO A 55 4.818 -6.299 -3.272 1.00 1.08 C ATOM 828 O PRO A 55 4.363 -5.220 -2.897 1.00 1.26 O ATOM 829 CB PRO A 55 4.684 -8.590 -2.157 1.00 1.21 C ATOM 830 CG PRO A 55 5.399 -9.571 -3.088 1.00 1.16 C ATOM 831 CD PRO A 55 4.521 -9.580 -4.340 1.00 1.08 C ATOM 0 HA PRO A 55 3.055 -7.256 -2.695 1.00 1.11 H new ATOM 0 HB2 PRO A 55 5.387 -8.094 -1.487 1.00 1.21 H new ATOM 0 HB3 PRO A 55 3.952 -9.099 -1.531 1.00 1.21 H new ATOM 0 HG2 PRO A 55 6.414 -9.244 -3.312 1.00 1.16 H new ATOM 0 HG3 PRO A 55 5.475 -10.563 -2.644 1.00 1.16 H new ATOM 0 HD2 PRO A 55 5.122 -9.722 -5.239 1.00 1.08 H new ATOM 0 HD3 PRO A 55 3.800 -10.397 -4.307 1.00 1.08 H new ATOM 839 N ARG A 56 6.045 -6.403 -3.794 1.00 0.94 N ATOM 840 CA ARG A 56 6.971 -5.281 -3.735 1.00 1.18 C ATOM 841 C ARG A 56 6.571 -4.124 -4.655 1.00 0.99 C ATOM 842 O ARG A 56 7.056 -3.014 -4.462 1.00 0.99 O ATOM 843 CB ARG A 56 8.429 -5.710 -3.977 1.00 1.47 C ATOM 844 CG ARG A 56 9.353 -4.819 -3.128 1.00 2.69 C ATOM 845 CD ARG A 56 10.763 -4.656 -3.710 1.00 2.91 C ATOM 846 NE ARG A 56 11.562 -3.715 -2.900 1.00 4.15 N ATOM 847 CZ ARG A 56 11.375 -2.383 -2.841 1.00 5.16 C ATOM 848 NH1 ARG A 56 10.452 -1.807 -3.611 1.00 5.68 N ATOM 849 NH2 ARG A 56 12.101 -1.636 -2.004 1.00 6.30 N ATOM 0 H ARG A 56 6.409 -7.238 -4.252 1.00 0.94 H new ATOM 0 HA ARG A 56 6.907 -4.905 -2.714 1.00 1.18 H new ATOM 0 HB2 ARG A 56 8.564 -6.758 -3.709 1.00 1.47 H new ATOM 0 HB3 ARG A 56 8.680 -5.616 -5.034 1.00 1.47 H new ATOM 0 HG2 ARG A 56 8.897 -3.834 -3.024 1.00 2.69 H new ATOM 0 HG3 ARG A 56 9.430 -5.242 -2.126 1.00 2.69 H new ATOM 0 HD2 ARG A 56 11.261 -5.625 -3.745 1.00 2.91 H new ATOM 0 HD3 ARG A 56 10.698 -4.294 -4.736 1.00 2.91 H new ATOM 0 HE ARG A 56 12.318 -4.106 -2.339 1.00 4.15 H new ATOM 0 HH11 ARG A 56 9.889 -2.375 -4.244 1.00 5.68 H new ATOM 0 HH12 ARG A 56 10.309 -0.798 -3.568 1.00 5.68 H new ATOM 0 HH21 ARG A 56 12.801 -2.075 -1.406 1.00 6.30 H new ATOM 0 HH22 ARG A 56 11.955 -0.627 -1.963 1.00 6.30 H new ATOM 863 N ASP A 57 5.739 -4.353 -5.673 1.00 0.84 N ATOM 864 CA ASP A 57 5.418 -3.291 -6.618 1.00 0.73 C ATOM 865 C ASP A 57 4.523 -2.209 -6.016 1.00 0.59 C ATOM 866 O ASP A 57 4.710 -1.016 -6.266 1.00 0.57 O ATOM 867 CB ASP A 57 4.895 -3.860 -7.927 1.00 0.74 C ATOM 868 CG ASP A 57 4.868 -2.764 -8.979 1.00 2.50 C ATOM 869 OD1 ASP A 57 5.990 -2.364 -9.368 1.00 3.65 O ATOM 870 OD2 ASP A 57 3.751 -2.338 -9.350 1.00 3.80 O ATOM 0 H ASP A 57 5.285 -5.247 -5.859 1.00 0.84 H new ATOM 0 HA ASP A 57 6.348 -2.774 -6.856 1.00 0.73 H new ATOM 0 HB2 ASP A 57 5.530 -4.682 -8.258 1.00 0.74 H new ATOM 0 HB3 ASP A 57 3.894 -4.268 -7.785 1.00 0.74 H new ATOM 875 N ILE A 58 3.603 -2.599 -5.130 1.00 0.61 N ATOM 876 CA ILE A 58 2.946 -1.632 -4.256 1.00 0.61 C ATOM 877 C ILE A 58 4.007 -0.740 -3.602 1.00 0.54 C ATOM 878 O ILE A 58 3.921 0.488 -3.642 1.00 0.52 O ATOM 879 CB ILE A 58 2.109 -2.349 -3.184 1.00 0.75 C ATOM 880 CG1 ILE A 58 1.008 -3.212 -3.824 1.00 0.70 C ATOM 881 CG2 ILE A 58 1.462 -1.307 -2.267 1.00 0.92 C ATOM 882 CD1 ILE A 58 0.764 -4.466 -2.987 1.00 0.99 C ATOM 0 H ILE A 58 3.301 -3.565 -5.002 1.00 0.61 H new ATOM 0 HA ILE A 58 2.271 -1.015 -4.849 1.00 0.61 H new ATOM 0 HB ILE A 58 2.769 -3.001 -2.612 1.00 0.75 H new ATOM 0 HG12 ILE A 58 0.086 -2.636 -3.906 1.00 0.70 H new ATOM 0 HG13 ILE A 58 1.299 -3.493 -4.836 1.00 0.70 H new ATOM 0 HG21 ILE A 58 0.868 -1.812 -1.505 1.00 0.92 H new ATOM 0 HG22 ILE A 58 2.239 -0.713 -1.786 1.00 0.92 H new ATOM 0 HG23 ILE A 58 0.818 -0.654 -2.856 1.00 0.92 H new ATOM 0 HD11 ILE A 58 -0.017 -5.067 -3.452 1.00 0.99 H new ATOM 0 HD12 ILE A 58 1.683 -5.049 -2.928 1.00 0.99 H new ATOM 0 HD13 ILE A 58 0.452 -4.178 -1.983 1.00 0.99 H new ATOM 894 N ILE A 59 5.031 -1.365 -3.019 1.00 0.53 N ATOM 895 CA ILE A 59 6.107 -0.648 -2.369 1.00 0.53 C ATOM 896 C ILE A 59 6.876 0.216 -3.383 1.00 0.45 C ATOM 897 O ILE A 59 7.109 1.380 -3.079 1.00 0.53 O ATOM 898 CB ILE A 59 6.938 -1.616 -1.511 1.00 0.71 C ATOM 899 CG1 ILE A 59 6.079 -2.116 -0.333 1.00 1.07 C ATOM 900 CG2 ILE A 59 8.195 -0.932 -0.976 1.00 0.71 C ATOM 901 CD1 ILE A 59 6.569 -3.462 0.201 1.00 1.18 C ATOM 0 H ILE A 59 5.129 -2.380 -2.989 1.00 0.53 H new ATOM 0 HA ILE A 59 5.722 0.082 -1.656 1.00 0.53 H new ATOM 0 HB ILE A 59 7.245 -2.457 -2.133 1.00 0.71 H new ATOM 0 HG12 ILE A 59 6.099 -1.378 0.469 1.00 1.07 H new ATOM 0 HG13 ILE A 59 5.042 -2.209 -0.654 1.00 1.07 H new ATOM 0 HG21 ILE A 59 8.765 -1.639 -0.372 1.00 0.71 H new ATOM 0 HG22 ILE A 59 8.807 -0.592 -1.811 1.00 0.71 H new ATOM 0 HG23 ILE A 59 7.911 -0.077 -0.362 1.00 0.71 H new ATOM 0 HD11 ILE A 59 5.935 -3.777 1.030 1.00 1.18 H new ATOM 0 HD12 ILE A 59 6.524 -4.207 -0.593 1.00 1.18 H new ATOM 0 HD13 ILE A 59 7.598 -3.363 0.548 1.00 1.18 H new ATOM 913 N HIS A 60 7.185 -0.273 -4.598 1.00 0.48 N ATOM 914 CA HIS A 60 7.729 0.583 -5.662 1.00 0.56 C ATOM 915 C HIS A 60 6.875 1.836 -5.816 1.00 0.47 C ATOM 916 O HIS A 60 7.400 2.934 -5.973 1.00 0.52 O ATOM 917 CB HIS A 60 7.778 -0.087 -7.049 1.00 0.79 C ATOM 918 CG HIS A 60 8.645 -1.304 -7.206 1.00 1.39 C ATOM 919 ND1 HIS A 60 8.391 -2.350 -8.064 1.00 2.64 N ATOM 920 CD2 HIS A 60 9.875 -1.513 -6.648 1.00 2.02 C ATOM 921 CE1 HIS A 60 9.407 -3.219 -7.947 1.00 3.46 C ATOM 922 NE2 HIS A 60 10.334 -2.759 -7.087 1.00 3.19 N ATOM 0 H HIS A 60 7.067 -1.251 -4.864 1.00 0.48 H new ATOM 0 HA HIS A 60 8.749 0.804 -5.347 1.00 0.56 H new ATOM 0 HB2 HIS A 60 6.760 -0.363 -7.325 1.00 0.79 H new ATOM 0 HB3 HIS A 60 8.113 0.659 -7.770 1.00 0.79 H new ATOM 0 HD1 HIS A 60 7.580 -2.447 -8.676 1.00 2.64 H new ATOM 0 HD2 HIS A 60 10.398 -0.838 -5.987 1.00 2.02 H new ATOM 0 HE1 HIS A 60 9.472 -4.160 -8.472 1.00 3.46 H new ATOM 930 N THR A 61 5.552 1.669 -5.805 1.00 0.45 N ATOM 931 CA THR A 61 4.649 2.781 -6.043 1.00 0.49 C ATOM 932 C THR A 61 4.767 3.785 -4.892 1.00 0.51 C ATOM 933 O THR A 61 4.983 4.973 -5.113 1.00 0.60 O ATOM 934 CB THR A 61 3.223 2.259 -6.265 1.00 0.57 C ATOM 935 OG1 THR A 61 3.252 1.190 -7.190 1.00 0.72 O ATOM 936 CG2 THR A 61 2.330 3.354 -6.854 1.00 0.77 C ATOM 0 H THR A 61 5.089 0.776 -5.634 1.00 0.45 H new ATOM 0 HA THR A 61 4.921 3.314 -6.954 1.00 0.49 H new ATOM 0 HB THR A 61 2.828 1.936 -5.302 1.00 0.57 H new ATOM 0 HG1 THR A 61 3.633 0.396 -6.760 1.00 0.72 H new ATOM 0 HG21 THR A 61 1.324 2.962 -7.003 1.00 0.77 H new ATOM 0 HG22 THR A 61 2.292 4.200 -6.168 1.00 0.77 H new ATOM 0 HG23 THR A 61 2.738 3.680 -7.811 1.00 0.77 H new ATOM 944 N ILE A 62 4.668 3.294 -3.656 1.00 0.49 N ATOM 945 CA ILE A 62 4.827 4.082 -2.437 1.00 0.55 C ATOM 946 C ILE A 62 6.157 4.862 -2.454 1.00 0.59 C ATOM 947 O ILE A 62 6.159 6.084 -2.276 1.00 0.69 O ATOM 948 CB ILE A 62 4.665 3.118 -1.245 1.00 0.52 C ATOM 949 CG1 ILE A 62 3.182 2.716 -1.133 1.00 0.52 C ATOM 950 CG2 ILE A 62 5.142 3.677 0.101 1.00 0.57 C ATOM 951 CD1 ILE A 62 2.929 1.651 -0.067 1.00 1.40 C ATOM 0 H ILE A 62 4.470 2.311 -3.472 1.00 0.49 H new ATOM 0 HA ILE A 62 4.065 4.857 -2.352 1.00 0.55 H new ATOM 0 HB ILE A 62 5.307 2.262 -1.453 1.00 0.52 H new ATOM 0 HG12 ILE A 62 2.588 3.601 -0.903 1.00 0.52 H new ATOM 0 HG13 ILE A 62 2.839 2.344 -2.098 1.00 0.52 H new ATOM 0 HG21 ILE A 62 4.989 2.930 0.880 1.00 0.57 H new ATOM 0 HG22 ILE A 62 6.202 3.924 0.038 1.00 0.57 H new ATOM 0 HG23 ILE A 62 4.574 4.575 0.344 1.00 0.57 H new ATOM 0 HD11 ILE A 62 1.866 1.411 -0.037 1.00 1.40 H new ATOM 0 HD12 ILE A 62 3.497 0.753 -0.308 1.00 1.40 H new ATOM 0 HD13 ILE A 62 3.243 2.028 0.906 1.00 1.40 H new ATOM 963 N GLU A 63 7.269 4.155 -2.691 1.00 0.54 N ATOM 964 CA GLU A 63 8.606 4.718 -2.833 1.00 0.69 C ATOM 965 C GLU A 63 8.610 5.814 -3.903 1.00 0.69 C ATOM 966 O GLU A 63 9.042 6.937 -3.656 1.00 0.82 O ATOM 967 CB GLU A 63 9.600 3.593 -3.178 1.00 0.79 C ATOM 968 CG GLU A 63 9.840 2.645 -1.989 1.00 0.88 C ATOM 969 CD GLU A 63 10.603 1.383 -2.381 1.00 0.93 C ATOM 970 OE1 GLU A 63 10.348 0.841 -3.478 1.00 1.90 O ATOM 971 OE2 GLU A 63 11.411 0.896 -1.562 1.00 1.84 O ATOM 0 H GLU A 63 7.256 3.140 -2.792 1.00 0.54 H new ATOM 0 HA GLU A 63 8.913 5.175 -1.892 1.00 0.69 H new ATOM 0 HB2 GLU A 63 9.220 3.022 -4.025 1.00 0.79 H new ATOM 0 HB3 GLU A 63 10.549 4.031 -3.489 1.00 0.79 H new ATOM 0 HG2 GLU A 63 10.396 3.174 -1.215 1.00 0.88 H new ATOM 0 HG3 GLU A 63 8.880 2.364 -1.556 1.00 0.88 H new ATOM 978 N SER A 64 8.130 5.474 -5.100 1.00 0.60 N ATOM 979 CA SER A 64 8.113 6.360 -6.254 1.00 0.64 C ATOM 980 C SER A 64 7.317 7.636 -5.968 1.00 0.64 C ATOM 981 O SER A 64 7.736 8.717 -6.377 1.00 0.83 O ATOM 982 CB SER A 64 7.559 5.603 -7.470 1.00 0.62 C ATOM 983 OG SER A 64 7.597 6.401 -8.638 1.00 1.24 O ATOM 0 H SER A 64 7.735 4.554 -5.293 1.00 0.60 H new ATOM 0 HA SER A 64 9.133 6.675 -6.475 1.00 0.64 H new ATOM 0 HB2 SER A 64 8.139 4.694 -7.630 1.00 0.62 H new ATOM 0 HB3 SER A 64 6.532 5.295 -7.272 1.00 0.62 H new ATOM 0 HG SER A 64 7.239 5.891 -9.394 1.00 1.24 H new ATOM 989 N LEU A 65 6.168 7.516 -5.295 1.00 0.57 N ATOM 990 CA LEU A 65 5.314 8.655 -4.993 1.00 0.60 C ATOM 991 C LEU A 65 6.027 9.641 -4.061 1.00 0.64 C ATOM 992 O LEU A 65 6.519 10.670 -4.518 1.00 0.93 O ATOM 993 CB LEU A 65 3.975 8.179 -4.407 1.00 0.69 C ATOM 994 CG LEU A 65 3.041 7.521 -5.435 1.00 0.87 C ATOM 995 CD1 LEU A 65 1.959 6.734 -4.685 1.00 1.99 C ATOM 996 CD2 LEU A 65 2.364 8.555 -6.343 1.00 1.54 C ATOM 0 H LEU A 65 5.810 6.626 -4.948 1.00 0.57 H new ATOM 0 HA LEU A 65 5.100 9.187 -5.920 1.00 0.60 H new ATOM 0 HB2 LEU A 65 4.173 7.468 -3.605 1.00 0.69 H new ATOM 0 HB3 LEU A 65 3.463 9.031 -3.959 1.00 0.69 H new ATOM 0 HG LEU A 65 3.641 6.865 -6.065 1.00 0.87 H new ATOM 0 HD11 LEU A 65 1.289 6.262 -5.403 1.00 1.99 H new ATOM 0 HD12 LEU A 65 2.428 5.968 -4.068 1.00 1.99 H new ATOM 0 HD13 LEU A 65 1.390 7.413 -4.050 1.00 1.99 H new ATOM 0 HD21 LEU A 65 1.713 8.045 -7.053 1.00 1.54 H new ATOM 0 HD22 LEU A 65 1.772 9.240 -5.736 1.00 1.54 H new ATOM 0 HD23 LEU A 65 3.125 9.116 -6.886 1.00 1.54 H new ATOM 1008 N GLY A 66 5.990 9.407 -2.746 1.00 0.58 N ATOM 1009 CA GLY A 66 6.704 10.264 -1.808 1.00 0.70 C ATOM 1010 C GLY A 66 6.935 9.624 -0.441 1.00 0.64 C ATOM 1011 O GLY A 66 7.049 10.356 0.541 1.00 0.87 O ATOM 0 H GLY A 66 5.477 8.638 -2.314 1.00 0.58 H new ATOM 0 HA2 GLY A 66 7.668 10.535 -2.239 1.00 0.70 H new ATOM 0 HA3 GLY A 66 6.143 11.189 -1.676 1.00 0.70 H new ATOM 1015 N PHE A 67 6.916 8.290 -0.339 1.00 0.54 N ATOM 1016 CA PHE A 67 6.625 7.631 0.930 1.00 0.49 C ATOM 1017 C PHE A 67 7.604 6.489 1.192 1.00 0.57 C ATOM 1018 O PHE A 67 8.259 6.010 0.273 1.00 0.82 O ATOM 1019 CB PHE A 67 5.182 7.122 0.862 1.00 0.52 C ATOM 1020 CG PHE A 67 4.166 8.191 0.510 1.00 0.51 C ATOM 1021 CD1 PHE A 67 4.035 9.314 1.343 1.00 1.52 C ATOM 1022 CD2 PHE A 67 3.471 8.148 -0.713 1.00 1.66 C ATOM 1023 CE1 PHE A 67 3.228 10.394 0.957 1.00 1.55 C ATOM 1024 CE2 PHE A 67 2.639 9.220 -1.088 1.00 1.65 C ATOM 1025 CZ PHE A 67 2.513 10.340 -0.250 1.00 0.57 C ATOM 0 H PHE A 67 7.098 7.654 -1.115 1.00 0.54 H new ATOM 0 HA PHE A 67 6.738 8.332 1.757 1.00 0.49 H new ATOM 0 HB2 PHE A 67 5.124 6.323 0.123 1.00 0.52 H new ATOM 0 HB3 PHE A 67 4.916 6.686 1.825 1.00 0.52 H new ATOM 0 HD1 PHE A 67 4.559 9.346 2.287 1.00 1.52 H new ATOM 0 HD2 PHE A 67 3.576 7.293 -1.364 1.00 1.66 H new ATOM 0 HE1 PHE A 67 3.157 11.267 1.588 1.00 1.55 H new ATOM 0 HE2 PHE A 67 2.097 9.181 -2.021 1.00 1.65 H new ATOM 0 HZ PHE A 67 1.867 11.158 -0.534 1.00 0.57 H new ATOM 1035 N GLU A 68 7.685 6.042 2.445 1.00 0.51 N ATOM 1036 CA GLU A 68 8.485 4.903 2.885 1.00 0.60 C ATOM 1037 C GLU A 68 7.518 3.836 3.399 1.00 0.64 C ATOM 1038 O GLU A 68 6.423 4.190 3.839 1.00 0.80 O ATOM 1039 CB GLU A 68 9.462 5.359 3.982 1.00 0.81 C ATOM 1040 CG GLU A 68 8.788 6.283 5.008 1.00 2.39 C ATOM 1041 CD GLU A 68 9.625 6.504 6.262 1.00 2.58 C ATOM 1042 OE1 GLU A 68 10.220 5.512 6.735 1.00 2.42 O ATOM 1043 OE2 GLU A 68 9.605 7.653 6.753 1.00 3.84 O ATOM 0 H GLU A 68 7.174 6.482 3.210 1.00 0.51 H new ATOM 0 HA GLU A 68 9.079 4.490 2.070 1.00 0.60 H new ATOM 0 HB2 GLU A 68 9.867 4.485 4.493 1.00 0.81 H new ATOM 0 HB3 GLU A 68 10.304 5.879 3.524 1.00 0.81 H new ATOM 0 HG2 GLU A 68 8.585 7.247 4.541 1.00 2.39 H new ATOM 0 HG3 GLU A 68 7.826 5.858 5.292 1.00 2.39 H new ATOM 1050 N ALA A 69 7.869 2.544 3.336 1.00 0.67 N ATOM 1051 CA ALA A 69 7.016 1.491 3.877 1.00 0.79 C ATOM 1052 C ALA A 69 7.779 0.214 4.222 1.00 0.63 C ATOM 1053 O ALA A 69 8.916 0.029 3.793 1.00 0.80 O ATOM 1054 CB ALA A 69 5.882 1.178 2.898 1.00 1.34 C ATOM 0 H ALA A 69 8.736 2.209 2.916 1.00 0.67 H new ATOM 0 HA ALA A 69 6.607 1.872 4.813 1.00 0.79 H new ATOM 0 HB1 ALA A 69 5.251 0.391 3.311 1.00 1.34 H new ATOM 0 HB2 ALA A 69 5.284 2.075 2.736 1.00 1.34 H new ATOM 0 HB3 ALA A 69 6.302 0.845 1.949 1.00 1.34 H new ATOM 1060 N SER A 70 7.119 -0.674 4.971 1.00 0.63 N ATOM 1061 CA SER A 70 7.624 -1.981 5.362 1.00 0.87 C ATOM 1062 C SER A 70 6.449 -2.926 5.656 1.00 0.87 C ATOM 1063 O SER A 70 5.605 -2.620 6.493 1.00 0.82 O ATOM 1064 CB SER A 70 8.548 -1.819 6.578 1.00 1.09 C ATOM 1065 OG SER A 70 7.962 -0.975 7.554 1.00 2.07 O ATOM 0 H SER A 70 6.183 -0.489 5.332 1.00 0.63 H new ATOM 0 HA SER A 70 8.203 -2.422 4.551 1.00 0.87 H new ATOM 0 HB2 SER A 70 8.755 -2.796 7.014 1.00 1.09 H new ATOM 0 HB3 SER A 70 9.504 -1.403 6.260 1.00 1.09 H new ATOM 0 HG SER A 70 6.991 -1.108 7.561 1.00 2.07 H new ATOM 1071 N LEU A 71 6.378 -4.072 4.971 1.00 1.18 N ATOM 1072 CA LEU A 71 5.439 -5.148 5.297 1.00 1.24 C ATOM 1073 C LEU A 71 5.600 -5.555 6.765 1.00 1.28 C ATOM 1074 O LEU A 71 6.724 -5.679 7.248 1.00 1.55 O ATOM 1075 CB LEU A 71 5.637 -6.322 4.324 1.00 1.52 C ATOM 1076 CG LEU A 71 7.029 -6.981 4.386 1.00 1.34 C ATOM 1077 CD1 LEU A 71 6.996 -8.272 5.212 1.00 2.21 C ATOM 1078 CD2 LEU A 71 7.512 -7.313 2.970 1.00 2.22 C ATOM 0 H LEU A 71 6.975 -4.279 4.170 1.00 1.18 H new ATOM 0 HA LEU A 71 4.412 -4.802 5.176 1.00 1.24 H new ATOM 0 HB2 LEU A 71 4.882 -7.080 4.532 1.00 1.52 H new ATOM 0 HB3 LEU A 71 5.462 -5.968 3.308 1.00 1.52 H new ATOM 0 HG LEU A 71 7.710 -6.275 4.862 1.00 1.34 H new ATOM 0 HD11 LEU A 71 7.992 -8.713 5.237 1.00 2.21 H new ATOM 0 HD12 LEU A 71 6.674 -8.046 6.228 1.00 2.21 H new ATOM 0 HD13 LEU A 71 6.299 -8.976 4.759 1.00 2.21 H new ATOM 0 HD21 LEU A 71 8.496 -7.778 3.021 1.00 2.22 H new ATOM 0 HD22 LEU A 71 6.810 -8.000 2.498 1.00 2.22 H new ATOM 0 HD23 LEU A 71 7.574 -6.397 2.383 1.00 2.22 H new ATOM 1090 N VAL A 72 4.481 -5.729 7.474 1.00 1.66 N ATOM 1091 CA VAL A 72 4.467 -6.102 8.881 1.00 1.77 C ATOM 1092 C VAL A 72 4.308 -7.622 8.967 1.00 1.81 C ATOM 1093 O VAL A 72 5.274 -8.327 9.246 1.00 2.65 O ATOM 1094 CB VAL A 72 3.361 -5.314 9.615 1.00 2.45 C ATOM 1095 CG1 VAL A 72 3.243 -5.733 11.084 1.00 2.90 C ATOM 1096 CG2 VAL A 72 3.659 -3.810 9.563 1.00 2.77 C ATOM 0 H VAL A 72 3.549 -5.612 7.076 1.00 1.66 H new ATOM 0 HA VAL A 72 5.400 -5.842 9.381 1.00 1.77 H new ATOM 0 HB VAL A 72 2.422 -5.535 9.109 1.00 2.45 H new ATOM 0 HG11 VAL A 72 2.454 -5.155 11.565 1.00 2.90 H new ATOM 0 HG12 VAL A 72 3.002 -6.794 11.141 1.00 2.90 H new ATOM 0 HG13 VAL A 72 4.189 -5.548 11.592 1.00 2.90 H new ATOM 0 HG21 VAL A 72 2.872 -3.265 10.084 1.00 2.77 H new ATOM 0 HG22 VAL A 72 4.617 -3.612 10.044 1.00 2.77 H new ATOM 0 HG23 VAL A 72 3.700 -3.483 8.524 1.00 2.77 H new ATOM 1106 N LYS A 73 3.094 -8.118 8.700 1.00 2.41 N ATOM 1107 CA LYS A 73 2.707 -9.528 8.720 1.00 2.70 C ATOM 1108 C LYS A 73 2.839 -10.192 10.102 1.00 2.84 C ATOM 1109 O LYS A 73 1.838 -10.619 10.669 1.00 3.84 O ATOM 1110 CB LYS A 73 3.425 -10.341 7.628 1.00 2.84 C ATOM 1111 CG LYS A 73 3.237 -9.748 6.224 1.00 3.53 C ATOM 1112 CD LYS A 73 3.843 -10.620 5.107 1.00 4.48 C ATOM 1113 CE LYS A 73 3.101 -11.953 4.900 1.00 4.92 C ATOM 1114 NZ LYS A 73 3.679 -13.059 5.686 1.00 5.59 N ATOM 0 H LYS A 73 2.314 -7.510 8.451 1.00 2.41 H new ATOM 0 HA LYS A 73 1.641 -9.534 8.492 1.00 2.70 H new ATOM 0 HB2 LYS A 73 4.489 -10.389 7.858 1.00 2.84 H new ATOM 0 HB3 LYS A 73 3.051 -11.365 7.638 1.00 2.84 H new ATOM 0 HG2 LYS A 73 2.172 -9.614 6.033 1.00 3.53 H new ATOM 0 HG3 LYS A 73 3.693 -8.759 6.191 1.00 3.53 H new ATOM 0 HD2 LYS A 73 3.833 -10.059 4.173 1.00 4.48 H new ATOM 0 HD3 LYS A 73 4.887 -10.827 5.344 1.00 4.48 H new ATOM 0 HE2 LYS A 73 2.054 -11.827 5.175 1.00 4.92 H new ATOM 0 HE3 LYS A 73 3.123 -12.215 3.842 1.00 4.92 H new ATOM 0 HZ1 LYS A 73 4.087 -13.766 5.042 1.00 5.59 H new ATOM 0 HZ2 LYS A 73 4.424 -12.689 6.311 1.00 5.59 H new ATOM 0 HZ3 LYS A 73 2.934 -13.503 6.260 1.00 5.59 H new ATOM 1128 N ILE A 74 4.063 -10.313 10.623 1.00 2.88 N ATOM 1129 CA ILE A 74 4.415 -11.161 11.759 1.00 3.57 C ATOM 1130 C ILE A 74 3.965 -12.605 11.477 1.00 4.78 C ATOM 1131 O ILE A 74 3.414 -13.295 12.331 1.00 5.48 O ATOM 1132 CB ILE A 74 3.903 -10.579 13.095 1.00 4.09 C ATOM 1133 CG1 ILE A 74 3.999 -9.042 13.182 1.00 4.51 C ATOM 1134 CG2 ILE A 74 4.681 -11.197 14.265 1.00 4.95 C ATOM 1135 CD1 ILE A 74 5.412 -8.475 12.992 1.00 5.23 C ATOM 0 H ILE A 74 4.864 -9.803 10.250 1.00 2.88 H new ATOM 0 HA ILE A 74 5.498 -11.185 11.879 1.00 3.57 H new ATOM 0 HB ILE A 74 2.845 -10.834 13.149 1.00 4.09 H new ATOM 0 HG12 ILE A 74 3.344 -8.608 12.427 1.00 4.51 H new ATOM 0 HG13 ILE A 74 3.622 -8.723 14.154 1.00 4.51 H new ATOM 0 HG21 ILE A 74 4.315 -10.783 15.204 1.00 4.95 H new ATOM 0 HG22 ILE A 74 4.539 -12.278 14.266 1.00 4.95 H new ATOM 0 HG23 ILE A 74 5.742 -10.970 14.157 1.00 4.95 H new ATOM 0 HD11 ILE A 74 5.381 -7.388 13.069 1.00 5.23 H new ATOM 0 HD12 ILE A 74 6.071 -8.875 13.762 1.00 5.23 H new ATOM 0 HD13 ILE A 74 5.789 -8.758 12.009 1.00 5.23 H new ATOM 1147 N GLU A 75 4.212 -13.030 10.239 1.00 5.75 N ATOM 1148 CA GLU A 75 3.820 -14.251 9.572 1.00 7.31 C ATOM 1149 C GLU A 75 4.554 -14.142 8.229 1.00 8.33 C ATOM 1150 O GLU A 75 4.992 -13.002 7.923 1.00 8.25 O ATOM 1151 CB GLU A 75 2.291 -14.236 9.424 1.00 7.97 C ATOM 1152 CG GLU A 75 1.688 -15.466 8.728 1.00 9.15 C ATOM 1153 CD GLU A 75 1.482 -15.340 7.219 1.00 10.34 C ATOM 1154 OE1 GLU A 75 1.578 -14.205 6.697 1.00 10.36 O ATOM 1155 OE2 GLU A 75 1.188 -16.381 6.594 1.00 11.56 O ATOM 1156 OXT GLU A 75 4.624 -15.123 7.464 1.00 9.68 O ATOM 0 H GLU A 75 4.762 -12.445 9.609 1.00 5.75 H new ATOM 0 HA GLU A 75 4.067 -15.181 10.085 1.00 7.31 H new ATOM 0 HB2 GLU A 75 1.847 -14.146 10.415 1.00 7.97 H new ATOM 0 HB3 GLU A 75 2.005 -13.345 8.864 1.00 7.97 H new ATOM 0 HG2 GLU A 75 2.336 -16.322 8.917 1.00 9.15 H new ATOM 0 HG3 GLU A 75 0.726 -15.687 9.190 1.00 9.15 H new TER 1163 GLU A 75 HETATM 1164 CU CU1 A 76 0.087 14.804 2.953 1.00 0.58 CU