USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 535 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 36 SER OG : rot -35:sc= 0.502 USER MOD Set 1.2: A 45 HIS : no HE2:sc= -0.103 K(o=1.4,f=-13!) USER MOD Set 1.3: A 47 LYS NZ :NH3+ 156:sc= 1.02 (180deg=-0.0149) USER MOD Set 2.1: A 29 HIS : no HE2:sc= 0.447 K(o=1.6,f=-3.7!) USER MOD Set 2.2: A 61 THR OG1 : rot 72:sc= 1.15 USER MOD Set 3.1: A 25 SER OG : rot 160:sc= 1.07 USER MOD Set 3.2: A 28 LYS NZ :NH3+ -130:sc= 1.26 (180deg=0) USER MOD Set 4.1: A 13 MET CE :methyl 176:sc= -0.539 (180deg=-0.493) USER MOD Set 4.2: A 42 ASN : amide:sc= -0.257 K(o=-0.8,f=-3) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 77:sc= 1.07 USER MOD Single : A 18 CYS SG : rot -95:sc= 0.0542 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.125 F(o=-0.96,f=-0.13) USER MOD Single : A 21 LYS NZ :NH3+ -147:sc= 1.22 (180deg=0.881) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 14:sc= 0.992 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 140:sc= -0.205 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0883 USER MOD Single : A 43 LYS NZ :NH3+ -146:sc= 0.9 (180deg=-3.82!) USER MOD Single : A 48 TYR OH : rot 180:sc=-0.00165 USER MOD Single : A 60 HIS : no HE2:sc= 1.86 K(o=1.9,f=-14!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 11:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 9.004 -5.731 3.850 1.00 1.13 N ATOM 47 CA VAL A 5 8.177 -4.534 3.815 1.00 1.10 C ATOM 48 C VAL A 5 8.502 -3.738 2.553 1.00 1.09 C ATOM 49 O VAL A 5 9.576 -3.913 1.977 1.00 1.68 O ATOM 50 CB VAL A 5 8.340 -3.676 5.094 1.00 1.32 C ATOM 51 CG1 VAL A 5 8.458 -4.502 6.384 1.00 2.33 C ATOM 52 CG2 VAL A 5 9.549 -2.732 5.037 1.00 1.54 C ATOM 0 HA VAL A 5 7.129 -4.833 3.787 1.00 1.10 H new ATOM 0 HB VAL A 5 7.417 -3.097 5.122 1.00 1.32 H new ATOM 0 HG11 VAL A 5 8.569 -3.832 7.236 1.00 2.33 H new ATOM 0 HG12 VAL A 5 7.560 -5.106 6.512 1.00 2.33 H new ATOM 0 HG13 VAL A 5 9.329 -5.155 6.320 1.00 2.33 H new ATOM 0 HG21 VAL A 5 9.607 -2.159 5.963 1.00 1.54 H new ATOM 0 HG22 VAL A 5 10.461 -3.316 4.914 1.00 1.54 H new ATOM 0 HG23 VAL A 5 9.438 -2.050 4.194 1.00 1.54 H new ATOM 62 N LEU A 6 7.605 -2.834 2.153 1.00 0.91 N ATOM 63 CA LEU A 6 7.863 -1.840 1.123 1.00 1.08 C ATOM 64 C LEU A 6 7.128 -0.559 1.504 1.00 1.10 C ATOM 65 O LEU A 6 6.004 -0.625 2.002 1.00 1.34 O ATOM 66 CB LEU A 6 7.357 -2.350 -0.233 1.00 1.15 C ATOM 67 CG LEU A 6 7.903 -1.595 -1.451 1.00 1.52 C ATOM 68 CD1 LEU A 6 9.325 -2.066 -1.783 1.00 2.47 C ATOM 69 CD2 LEU A 6 6.991 -1.852 -2.656 1.00 1.64 C ATOM 0 H LEU A 6 6.665 -2.776 2.546 1.00 0.91 H new ATOM 0 HA LEU A 6 8.933 -1.650 1.043 1.00 1.08 H new ATOM 0 HB2 LEU A 6 7.619 -3.404 -0.329 1.00 1.15 H new ATOM 0 HB3 LEU A 6 6.269 -2.290 -0.244 1.00 1.15 H new ATOM 0 HG LEU A 6 7.930 -0.530 -1.222 1.00 1.52 H new ATOM 0 HD11 LEU A 6 9.696 -1.519 -2.650 1.00 2.47 H new ATOM 0 HD12 LEU A 6 9.978 -1.881 -0.930 1.00 2.47 H new ATOM 0 HD13 LEU A 6 9.312 -3.133 -2.005 1.00 2.47 H new ATOM 0 HD21 LEU A 6 7.376 -1.317 -3.524 1.00 1.64 H new ATOM 0 HD22 LEU A 6 6.964 -2.920 -2.871 1.00 1.64 H new ATOM 0 HD23 LEU A 6 5.984 -1.502 -2.431 1.00 1.64 H new ATOM 81 N GLU A 7 7.756 0.590 1.238 1.00 0.93 N ATOM 82 CA GLU A 7 7.115 1.891 1.272 1.00 0.88 C ATOM 83 C GLU A 7 6.792 2.337 -0.152 1.00 0.87 C ATOM 84 O GLU A 7 7.672 2.279 -1.023 1.00 1.03 O ATOM 85 CB GLU A 7 8.041 2.921 1.916 1.00 0.92 C ATOM 86 CG GLU A 7 8.454 2.561 3.346 1.00 0.97 C ATOM 87 CD GLU A 7 8.970 3.803 4.053 1.00 1.35 C ATOM 88 OE1 GLU A 7 9.668 4.607 3.395 1.00 1.93 O ATOM 89 OE2 GLU A 7 8.504 4.093 5.178 1.00 2.47 O ATOM 0 H GLU A 7 8.744 0.634 0.989 1.00 0.93 H new ATOM 0 HA GLU A 7 6.199 1.815 1.857 1.00 0.88 H new ATOM 0 HB2 GLU A 7 8.936 3.026 1.303 1.00 0.92 H new ATOM 0 HB3 GLU A 7 7.544 3.891 1.923 1.00 0.92 H new ATOM 0 HG2 GLU A 7 7.603 2.148 3.888 1.00 0.97 H new ATOM 0 HG3 GLU A 7 9.226 1.792 3.330 1.00 0.97 H new ATOM 96 N LEU A 8 5.563 2.813 -0.363 1.00 0.84 N ATOM 97 CA LEU A 8 5.142 3.532 -1.554 1.00 0.87 C ATOM 98 C LEU A 8 4.375 4.784 -1.096 1.00 0.86 C ATOM 99 O LEU A 8 3.980 4.877 0.068 1.00 1.14 O ATOM 100 CB LEU A 8 4.381 2.585 -2.509 1.00 0.88 C ATOM 101 CG LEU A 8 3.114 1.931 -1.928 1.00 0.86 C ATOM 102 CD1 LEU A 8 1.918 2.881 -2.018 1.00 1.88 C ATOM 103 CD2 LEU A 8 2.780 0.663 -2.723 1.00 1.29 C ATOM 0 H LEU A 8 4.812 2.701 0.318 1.00 0.84 H new ATOM 0 HA LEU A 8 5.983 3.884 -2.152 1.00 0.87 H new ATOM 0 HB2 LEU A 8 4.102 3.145 -3.401 1.00 0.88 H new ATOM 0 HB3 LEU A 8 5.062 1.796 -2.828 1.00 0.88 H new ATOM 0 HG LEU A 8 3.307 1.691 -0.882 1.00 0.86 H new ATOM 0 HD11 LEU A 8 1.036 2.396 -1.601 1.00 1.88 H new ATOM 0 HD12 LEU A 8 2.132 3.790 -1.455 1.00 1.88 H new ATOM 0 HD13 LEU A 8 1.733 3.135 -3.062 1.00 1.88 H new ATOM 0 HD21 LEU A 8 1.883 0.201 -2.311 1.00 1.29 H new ATOM 0 HD22 LEU A 8 2.607 0.923 -3.767 1.00 1.29 H new ATOM 0 HD23 LEU A 8 3.612 -0.038 -2.657 1.00 1.29 H new ATOM 115 N VAL A 9 4.210 5.769 -1.977 1.00 0.81 N ATOM 116 CA VAL A 9 3.551 7.046 -1.727 1.00 0.90 C ATOM 117 C VAL A 9 2.342 7.114 -2.649 1.00 0.84 C ATOM 118 O VAL A 9 2.477 6.772 -3.820 1.00 0.92 O ATOM 119 CB VAL A 9 4.558 8.189 -1.954 1.00 1.08 C ATOM 120 CG1 VAL A 9 3.912 9.549 -2.248 1.00 1.26 C ATOM 121 CG2 VAL A 9 5.424 8.334 -0.697 1.00 1.22 C ATOM 0 H VAL A 9 4.551 5.692 -2.935 1.00 0.81 H new ATOM 0 HA VAL A 9 3.205 7.145 -0.698 1.00 0.90 H new ATOM 0 HB VAL A 9 5.138 7.917 -2.836 1.00 1.08 H new ATOM 0 HG11 VAL A 9 4.691 10.297 -2.395 1.00 1.26 H new ATOM 0 HG12 VAL A 9 3.304 9.476 -3.150 1.00 1.26 H new ATOM 0 HG13 VAL A 9 3.282 9.841 -1.408 1.00 1.26 H new ATOM 0 HG21 VAL A 9 6.143 9.140 -0.842 1.00 1.22 H new ATOM 0 HG22 VAL A 9 4.788 8.564 0.158 1.00 1.22 H new ATOM 0 HG23 VAL A 9 5.957 7.401 -0.513 1.00 1.22 H new ATOM 131 N VAL A 10 1.176 7.501 -2.119 1.00 0.85 N ATOM 132 CA VAL A 10 -0.111 7.392 -2.803 1.00 0.81 C ATOM 133 C VAL A 10 -0.819 8.742 -2.848 1.00 0.86 C ATOM 134 O VAL A 10 -1.496 9.144 -1.902 1.00 1.34 O ATOM 135 CB VAL A 10 -1.018 6.303 -2.197 1.00 0.83 C ATOM 136 CG1 VAL A 10 -1.132 5.101 -3.133 1.00 1.28 C ATOM 137 CG2 VAL A 10 -0.521 5.775 -0.856 1.00 1.13 C ATOM 0 H VAL A 10 1.103 7.906 -1.186 1.00 0.85 H new ATOM 0 HA VAL A 10 0.101 7.080 -3.826 1.00 0.81 H new ATOM 0 HB VAL A 10 -1.981 6.792 -2.052 1.00 0.83 H new ATOM 0 HG11 VAL A 10 -1.777 4.348 -2.681 1.00 1.28 H new ATOM 0 HG12 VAL A 10 -1.558 5.420 -4.084 1.00 1.28 H new ATOM 0 HG13 VAL A 10 -0.142 4.676 -3.302 1.00 1.28 H new ATOM 0 HG21 VAL A 10 -1.207 5.012 -0.488 1.00 1.13 H new ATOM 0 HG22 VAL A 10 0.471 5.341 -0.981 1.00 1.13 H new ATOM 0 HG23 VAL A 10 -0.471 6.594 -0.138 1.00 1.13 H new ATOM 147 N ARG A 11 -0.721 9.429 -3.982 1.00 0.70 N ATOM 148 CA ARG A 11 -1.509 10.633 -4.200 1.00 0.74 C ATOM 149 C ARG A 11 -2.979 10.217 -4.335 1.00 0.70 C ATOM 150 O ARG A 11 -3.258 9.093 -4.758 1.00 0.74 O ATOM 151 CB ARG A 11 -1.008 11.411 -5.425 1.00 0.96 C ATOM 152 CG ARG A 11 0.523 11.542 -5.420 1.00 1.17 C ATOM 153 CD ARG A 11 1.031 12.408 -6.581 1.00 1.90 C ATOM 154 NE ARG A 11 2.476 12.210 -6.796 1.00 2.75 N ATOM 155 CZ ARG A 11 3.046 11.075 -7.243 1.00 3.86 C ATOM 156 NH1 ARG A 11 2.334 10.106 -7.819 1.00 4.64 N ATOM 157 NH2 ARG A 11 4.358 10.880 -7.087 1.00 5.02 N ATOM 0 H ARG A 11 -0.109 9.174 -4.757 1.00 0.70 H new ATOM 0 HA ARG A 11 -1.405 11.313 -3.354 1.00 0.74 H new ATOM 0 HB2 ARG A 11 -1.328 10.904 -6.335 1.00 0.96 H new ATOM 0 HB3 ARG A 11 -1.459 12.403 -5.437 1.00 0.96 H new ATOM 0 HG2 ARG A 11 0.846 11.978 -4.475 1.00 1.17 H new ATOM 0 HG3 ARG A 11 0.972 10.551 -5.484 1.00 1.17 H new ATOM 0 HD2 ARG A 11 0.487 12.157 -7.491 1.00 1.90 H new ATOM 0 HD3 ARG A 11 0.832 13.459 -6.370 1.00 1.90 H new ATOM 0 HE ARG A 11 3.093 12.995 -6.590 1.00 2.75 H new ATOM 0 HH11 ARG A 11 1.326 10.212 -7.932 1.00 4.64 H new ATOM 0 HH12 ARG A 11 2.797 9.259 -8.147 1.00 4.64 H new ATOM 0 HH21 ARG A 11 4.928 11.591 -6.629 1.00 5.02 H new ATOM 0 HH22 ARG A 11 4.790 10.020 -7.426 1.00 5.02 H new ATOM 171 N GLY A 12 -3.901 11.106 -3.945 1.00 0.80 N ATOM 172 CA GLY A 12 -5.343 10.894 -4.050 1.00 0.88 C ATOM 173 C GLY A 12 -6.021 10.597 -2.707 1.00 0.76 C ATOM 174 O GLY A 12 -7.247 10.496 -2.648 1.00 0.97 O ATOM 0 H GLY A 12 -3.657 12.010 -3.540 1.00 0.80 H new ATOM 0 HA2 GLY A 12 -5.801 11.780 -4.490 1.00 0.88 H new ATOM 0 HA3 GLY A 12 -5.531 10.066 -4.733 1.00 0.88 H new ATOM 178 N MET A 13 -5.258 10.455 -1.616 1.00 0.78 N ATOM 179 CA MET A 13 -5.807 10.100 -0.310 1.00 0.77 C ATOM 180 C MET A 13 -6.551 11.268 0.353 1.00 1.17 C ATOM 181 O MET A 13 -6.112 11.810 1.365 1.00 2.10 O ATOM 182 CB MET A 13 -4.708 9.544 0.600 1.00 0.87 C ATOM 183 CG MET A 13 -4.141 8.222 0.076 1.00 1.04 C ATOM 184 SD MET A 13 -3.072 7.347 1.244 1.00 1.43 S ATOM 185 CE MET A 13 -1.744 8.527 1.524 1.00 0.99 C ATOM 0 H MET A 13 -4.246 10.583 -1.618 1.00 0.78 H new ATOM 0 HA MET A 13 -6.550 9.319 -0.471 1.00 0.77 H new ATOM 0 HB2 MET A 13 -3.904 10.275 0.685 1.00 0.87 H new ATOM 0 HB3 MET A 13 -5.109 9.394 1.602 1.00 0.87 H new ATOM 0 HG2 MET A 13 -4.970 7.569 -0.197 1.00 1.04 H new ATOM 0 HG3 MET A 13 -3.577 8.419 -0.835 1.00 1.04 H new ATOM 0 HE1 MET A 13 -1.061 8.135 2.278 1.00 0.99 H new ATOM 0 HE2 MET A 13 -1.201 8.691 0.593 1.00 0.99 H new ATOM 0 HE3 MET A 13 -2.164 9.471 1.871 1.00 0.99 H new ATOM 195 N THR A 14 -7.700 11.642 -0.208 1.00 1.14 N ATOM 196 CA THR A 14 -8.532 12.700 0.338 1.00 1.56 C ATOM 197 C THR A 14 -9.114 12.319 1.712 1.00 1.77 C ATOM 198 O THR A 14 -9.755 11.281 1.867 1.00 3.55 O ATOM 199 CB THR A 14 -9.601 13.128 -0.685 1.00 1.96 C ATOM 200 OG1 THR A 14 -10.327 14.226 -0.173 1.00 2.60 O ATOM 201 CG2 THR A 14 -10.579 12.016 -1.085 1.00 2.23 C ATOM 0 H THR A 14 -8.076 11.216 -1.055 1.00 1.14 H new ATOM 0 HA THR A 14 -7.907 13.574 0.523 1.00 1.56 H new ATOM 0 HB THR A 14 -9.059 13.395 -1.592 1.00 1.96 H new ATOM 0 HG1 THR A 14 -11.007 14.501 -0.823 1.00 2.60 H new ATOM 0 HG21 THR A 14 -11.296 12.405 -1.808 1.00 2.23 H new ATOM 0 HG22 THR A 14 -10.027 11.189 -1.531 1.00 2.23 H new ATOM 0 HG23 THR A 14 -11.110 11.663 -0.201 1.00 2.23 H new ATOM 209 N CYS A 15 -8.887 13.195 2.697 1.00 1.27 N ATOM 210 CA CYS A 15 -9.669 13.359 3.920 1.00 1.55 C ATOM 211 C CYS A 15 -9.894 12.064 4.705 1.00 1.49 C ATOM 212 O CYS A 15 -10.952 11.438 4.616 1.00 2.98 O ATOM 213 CB CYS A 15 -10.995 14.061 3.614 1.00 2.23 C ATOM 214 SG CYS A 15 -11.781 14.462 5.194 1.00 3.15 S ATOM 0 H CYS A 15 -8.103 13.847 2.656 1.00 1.27 H new ATOM 0 HA CYS A 15 -9.069 13.987 4.579 1.00 1.55 H new ATOM 0 HB2 CYS A 15 -10.823 14.966 3.031 1.00 2.23 H new ATOM 0 HB3 CYS A 15 -11.641 13.416 3.018 1.00 2.23 H new ATOM 0 HG CYS A 15 -12.913 15.063 4.975 1.00 3.15 H new ATOM 220 N ALA A 16 -8.893 11.689 5.510 1.00 1.14 N ATOM 221 CA ALA A 16 -8.915 10.508 6.363 1.00 1.02 C ATOM 222 C ALA A 16 -9.320 9.278 5.552 1.00 1.09 C ATOM 223 O ALA A 16 -8.485 8.770 4.816 1.00 2.04 O ATOM 224 CB ALA A 16 -9.780 10.750 7.607 1.00 1.14 C ATOM 0 H ALA A 16 -8.024 12.217 5.584 1.00 1.14 H new ATOM 0 HA ALA A 16 -7.912 10.307 6.740 1.00 1.02 H new ATOM 0 HB1 ALA A 16 -9.782 9.855 8.229 1.00 1.14 H new ATOM 0 HB2 ALA A 16 -9.373 11.586 8.176 1.00 1.14 H new ATOM 0 HB3 ALA A 16 -10.800 10.981 7.301 1.00 1.14 H new ATOM 230 N SER A 17 -10.579 8.842 5.672 1.00 0.61 N ATOM 231 CA SER A 17 -11.289 7.808 4.925 1.00 0.58 C ATOM 232 C SER A 17 -10.426 6.944 3.997 1.00 0.49 C ATOM 233 O SER A 17 -10.194 5.771 4.287 1.00 0.52 O ATOM 234 CB SER A 17 -12.466 8.470 4.194 1.00 0.93 C ATOM 235 OG SER A 17 -12.966 9.546 4.971 1.00 1.83 O ATOM 0 H SER A 17 -11.190 9.255 6.376 1.00 0.61 H new ATOM 0 HA SER A 17 -11.648 7.076 5.649 1.00 0.58 H new ATOM 0 HB2 SER A 17 -12.143 8.833 3.218 1.00 0.93 H new ATOM 0 HB3 SER A 17 -13.255 7.739 4.017 1.00 0.93 H new ATOM 0 HG SER A 17 -12.370 10.318 4.882 1.00 1.83 H new ATOM 241 N CYS A 18 -9.952 7.519 2.886 1.00 0.56 N ATOM 242 CA CYS A 18 -9.030 6.902 1.937 1.00 0.60 C ATOM 243 C CYS A 18 -7.987 6.021 2.623 1.00 0.60 C ATOM 244 O CYS A 18 -7.796 4.881 2.214 1.00 0.66 O ATOM 245 CB CYS A 18 -8.377 7.995 1.094 1.00 0.69 C ATOM 246 SG CYS A 18 -9.563 8.497 -0.178 1.00 0.99 S ATOM 0 H CYS A 18 -10.214 8.467 2.616 1.00 0.56 H new ATOM 0 HA CYS A 18 -9.598 6.235 1.288 1.00 0.60 H new ATOM 0 HB2 CYS A 18 -8.103 8.846 1.718 1.00 0.69 H new ATOM 0 HB3 CYS A 18 -7.459 7.627 0.636 1.00 0.69 H new ATOM 0 HG CYS A 18 -9.321 7.847 -1.277 1.00 0.99 H new ATOM 252 N VAL A 19 -7.369 6.521 3.695 1.00 0.60 N ATOM 253 CA VAL A 19 -6.539 5.754 4.616 1.00 0.57 C ATOM 254 C VAL A 19 -7.090 4.340 4.827 1.00 0.63 C ATOM 255 O VAL A 19 -6.485 3.366 4.381 1.00 0.64 O ATOM 256 CB VAL A 19 -6.403 6.523 5.944 1.00 0.65 C ATOM 257 CG1 VAL A 19 -5.770 5.670 7.053 1.00 0.89 C ATOM 258 CG2 VAL A 19 -5.547 7.778 5.731 1.00 0.60 C ATOM 0 H VAL A 19 -7.437 7.506 3.951 1.00 0.60 H new ATOM 0 HA VAL A 19 -5.547 5.633 4.182 1.00 0.57 H new ATOM 0 HB VAL A 19 -7.410 6.793 6.262 1.00 0.65 H new ATOM 0 HG11 VAL A 19 -5.697 6.258 7.968 1.00 0.89 H new ATOM 0 HG12 VAL A 19 -6.390 4.792 7.235 1.00 0.89 H new ATOM 0 HG13 VAL A 19 -4.774 5.353 6.745 1.00 0.89 H new ATOM 0 HG21 VAL A 19 -5.453 8.319 6.673 1.00 0.60 H new ATOM 0 HG22 VAL A 19 -4.557 7.488 5.379 1.00 0.60 H new ATOM 0 HG23 VAL A 19 -6.022 8.420 4.989 1.00 0.60 H new ATOM 268 N HIS A 20 -8.248 4.213 5.480 1.00 0.69 N ATOM 269 CA HIS A 20 -8.804 2.910 5.813 1.00 0.75 C ATOM 270 C HIS A 20 -9.285 2.204 4.543 1.00 0.78 C ATOM 271 O HIS A 20 -9.266 0.979 4.468 1.00 0.87 O ATOM 272 CB HIS A 20 -9.856 3.033 6.935 1.00 0.79 C ATOM 273 CG HIS A 20 -11.299 2.755 6.581 1.00 0.84 C ATOM 274 ND1 HIS A 20 -12.012 3.277 5.535 1.00 1.13 N flip ATOM 275 CD2 HIS A 20 -12.169 1.989 7.323 1.00 0.76 C flip ATOM 276 CE1 HIS A 20 -13.323 2.808 5.622 1.00 1.19 C flip ATOM 277 NE2 HIS A 20 -13.370 2.041 6.721 1.00 0.96 N flip ATOM 0 H HIS A 20 -8.816 5.003 5.787 1.00 0.69 H new ATOM 0 HA HIS A 20 -8.032 2.264 6.230 1.00 0.75 H new ATOM 0 HB2 HIS A 20 -9.571 2.353 7.738 1.00 0.79 H new ATOM 0 HB3 HIS A 20 -9.799 4.044 7.339 1.00 0.79 H new ATOM 0 HD2 HIS A 20 -11.930 1.445 8.225 1.00 0.76 H new ATOM 0 HE1 HIS A 20 -14.135 3.020 4.942 1.00 1.19 H new ATOM 0 HE2 HIS A 20 -14.206 1.561 7.056 1.00 0.96 H new ATOM 285 N LYS A 21 -9.694 2.976 3.532 1.00 0.73 N ATOM 286 CA LYS A 21 -10.130 2.452 2.245 1.00 0.81 C ATOM 287 C LYS A 21 -9.008 1.635 1.620 1.00 0.92 C ATOM 288 O LYS A 21 -9.249 0.599 1.003 1.00 1.23 O ATOM 289 CB LYS A 21 -10.540 3.615 1.329 1.00 0.80 C ATOM 290 CG LYS A 21 -11.805 3.330 0.507 1.00 1.01 C ATOM 291 CD LYS A 21 -11.512 2.608 -0.817 1.00 1.49 C ATOM 292 CE LYS A 21 -10.968 3.584 -1.874 1.00 2.42 C ATOM 293 NZ LYS A 21 -10.994 3.003 -3.231 1.00 3.37 N ATOM 0 H LYS A 21 -9.730 3.994 3.590 1.00 0.73 H new ATOM 0 HA LYS A 21 -10.993 1.801 2.383 1.00 0.81 H new ATOM 0 HB2 LYS A 21 -10.704 4.505 1.936 1.00 0.80 H new ATOM 0 HB3 LYS A 21 -9.718 3.839 0.650 1.00 0.80 H new ATOM 0 HG2 LYS A 21 -12.489 2.724 1.101 1.00 1.01 H new ATOM 0 HG3 LYS A 21 -12.314 4.271 0.296 1.00 1.01 H new ATOM 0 HD2 LYS A 21 -10.788 1.811 -0.647 1.00 1.49 H new ATOM 0 HD3 LYS A 21 -12.423 2.138 -1.187 1.00 1.49 H new ATOM 0 HE2 LYS A 21 -11.560 4.499 -1.860 1.00 2.42 H new ATOM 0 HE3 LYS A 21 -9.945 3.862 -1.618 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 -10.189 3.366 -3.780 1.00 3.37 H new ATOM 0 HZ2 LYS A 21 -10.930 1.967 -3.166 1.00 3.37 H new ATOM 0 HZ3 LYS A 21 -11.882 3.266 -3.704 1.00 3.37 H new ATOM 307 N ILE A 22 -7.778 2.115 1.792 1.00 0.69 N ATOM 308 CA ILE A 22 -6.602 1.383 1.398 1.00 0.63 C ATOM 309 C ILE A 22 -6.422 0.275 2.423 1.00 0.72 C ATOM 310 O ILE A 22 -6.599 -0.894 2.102 1.00 0.89 O ATOM 311 CB ILE A 22 -5.374 2.309 1.327 1.00 0.52 C ATOM 312 CG1 ILE A 22 -5.556 3.385 0.261 1.00 0.40 C ATOM 313 CG2 ILE A 22 -4.184 1.446 0.927 1.00 0.62 C ATOM 314 CD1 ILE A 22 -4.550 4.535 0.246 1.00 0.49 C ATOM 0 H ILE A 22 -7.581 3.024 2.210 1.00 0.69 H new ATOM 0 HA ILE A 22 -6.712 0.961 0.399 1.00 0.63 H new ATOM 0 HB ILE A 22 -5.231 2.796 2.291 1.00 0.52 H new ATOM 0 HG12 ILE A 22 -5.529 2.901 -0.715 1.00 0.40 H new ATOM 0 HG13 ILE A 22 -6.553 3.810 0.378 1.00 0.40 H new ATOM 0 HG21 ILE A 22 -3.290 2.066 0.865 1.00 0.62 H new ATOM 0 HG22 ILE A 22 -4.034 0.665 1.673 1.00 0.62 H new ATOM 0 HG23 ILE A 22 -4.376 0.988 -0.043 1.00 0.62 H new ATOM 0 HD11 ILE A 22 -4.798 5.225 -0.561 1.00 0.49 H new ATOM 0 HD12 ILE A 22 -4.586 5.063 1.199 1.00 0.49 H new ATOM 0 HD13 ILE A 22 -3.547 4.139 0.089 1.00 0.49 H new ATOM 326 N GLU A 23 -6.075 0.662 3.651 1.00 0.65 N ATOM 327 CA GLU A 23 -5.579 -0.214 4.699 1.00 0.61 C ATOM 328 C GLU A 23 -6.453 -1.459 4.844 1.00 0.52 C ATOM 329 O GLU A 23 -5.981 -2.585 4.702 1.00 0.53 O ATOM 330 CB GLU A 23 -5.500 0.600 6.003 1.00 0.62 C ATOM 331 CG GLU A 23 -4.246 0.294 6.816 1.00 0.83 C ATOM 332 CD GLU A 23 -3.982 1.399 7.823 1.00 1.81 C ATOM 333 OE1 GLU A 23 -4.695 1.422 8.847 1.00 2.67 O ATOM 334 OE2 GLU A 23 -3.088 2.217 7.517 1.00 3.08 O ATOM 0 H GLU A 23 -6.136 1.636 3.949 1.00 0.65 H new ATOM 0 HA GLU A 23 -4.584 -0.580 4.444 1.00 0.61 H new ATOM 0 HB2 GLU A 23 -5.522 1.663 5.764 1.00 0.62 H new ATOM 0 HB3 GLU A 23 -6.381 0.391 6.610 1.00 0.62 H new ATOM 0 HG2 GLU A 23 -4.365 -0.658 7.334 1.00 0.83 H new ATOM 0 HG3 GLU A 23 -3.390 0.189 6.149 1.00 0.83 H new ATOM 341 N SER A 24 -7.747 -1.233 5.077 1.00 0.48 N ATOM 342 CA SER A 24 -8.712 -2.291 5.341 1.00 0.48 C ATOM 343 C SER A 24 -8.791 -3.238 4.142 1.00 0.53 C ATOM 344 O SER A 24 -8.830 -4.461 4.287 1.00 0.65 O ATOM 345 CB SER A 24 -10.080 -1.674 5.666 1.00 0.54 C ATOM 346 OG SER A 24 -10.983 -2.659 6.128 1.00 1.39 O ATOM 0 H SER A 24 -8.155 -0.298 5.087 1.00 0.48 H new ATOM 0 HA SER A 24 -8.391 -2.875 6.204 1.00 0.48 H new ATOM 0 HB2 SER A 24 -9.963 -0.899 6.424 1.00 0.54 H new ATOM 0 HB3 SER A 24 -10.486 -1.192 4.777 1.00 0.54 H new ATOM 0 HG SER A 24 -11.847 -2.242 6.330 1.00 1.39 H new ATOM 352 N SER A 25 -8.798 -2.665 2.937 1.00 0.55 N ATOM 353 CA SER A 25 -8.851 -3.447 1.720 1.00 0.63 C ATOM 354 C SER A 25 -7.559 -4.260 1.586 1.00 0.60 C ATOM 355 O SER A 25 -7.600 -5.469 1.382 1.00 0.89 O ATOM 356 CB SER A 25 -9.122 -2.519 0.531 1.00 0.77 C ATOM 357 OG SER A 25 -9.555 -3.257 -0.603 1.00 0.99 O ATOM 0 H SER A 25 -8.767 -1.657 2.787 1.00 0.55 H new ATOM 0 HA SER A 25 -9.671 -4.165 1.746 1.00 0.63 H new ATOM 0 HB2 SER A 25 -9.881 -1.785 0.803 1.00 0.77 H new ATOM 0 HB3 SER A 25 -8.217 -1.964 0.284 1.00 0.77 H new ATOM 0 HG SER A 25 -10.019 -2.659 -1.225 1.00 0.99 H new ATOM 363 N LEU A 26 -6.397 -3.629 1.738 1.00 0.61 N ATOM 364 CA LEU A 26 -5.135 -4.335 1.611 1.00 0.68 C ATOM 365 C LEU A 26 -5.031 -5.466 2.621 1.00 0.62 C ATOM 366 O LEU A 26 -4.577 -6.544 2.251 1.00 0.64 O ATOM 367 CB LEU A 26 -3.938 -3.392 1.695 1.00 0.83 C ATOM 368 CG LEU A 26 -3.495 -2.882 0.318 1.00 1.00 C ATOM 369 CD1 LEU A 26 -2.811 -3.973 -0.517 1.00 2.03 C ATOM 370 CD2 LEU A 26 -4.638 -2.250 -0.488 1.00 2.40 C ATOM 0 H LEU A 26 -6.308 -2.635 1.948 1.00 0.61 H new ATOM 0 HA LEU A 26 -5.115 -4.779 0.616 1.00 0.68 H new ATOM 0 HB2 LEU A 26 -4.192 -2.543 2.329 1.00 0.83 H new ATOM 0 HB3 LEU A 26 -3.105 -3.908 2.173 1.00 0.83 H new ATOM 0 HG LEU A 26 -2.767 -2.099 0.530 1.00 1.00 H new ATOM 0 HD11 LEU A 26 -2.517 -3.561 -1.482 1.00 2.03 H new ATOM 0 HD12 LEU A 26 -1.927 -4.333 0.009 1.00 2.03 H new ATOM 0 HD13 LEU A 26 -3.503 -4.801 -0.671 1.00 2.03 H new ATOM 0 HD21 LEU A 26 -4.259 -1.910 -1.452 1.00 2.40 H new ATOM 0 HD22 LEU A 26 -5.423 -2.989 -0.648 1.00 2.40 H new ATOM 0 HD23 LEU A 26 -5.045 -1.402 0.062 1.00 2.40 H new ATOM 382 N THR A 27 -5.496 -5.271 3.858 1.00 0.64 N ATOM 383 CA THR A 27 -5.460 -6.331 4.857 1.00 0.70 C ATOM 384 C THR A 27 -6.219 -7.608 4.442 1.00 0.83 C ATOM 385 O THR A 27 -6.056 -8.638 5.090 1.00 1.67 O ATOM 386 CB THR A 27 -5.861 -5.797 6.240 1.00 0.78 C ATOM 387 OG1 THR A 27 -7.009 -4.978 6.182 1.00 0.84 O ATOM 388 CG2 THR A 27 -4.723 -4.956 6.835 1.00 0.79 C ATOM 0 H THR A 27 -5.899 -4.393 4.186 1.00 0.64 H new ATOM 0 HA THR A 27 -4.424 -6.661 4.929 1.00 0.70 H new ATOM 0 HB THR A 27 -6.072 -6.669 6.859 1.00 0.78 H new ATOM 0 HG1 THR A 27 -7.449 -5.093 5.314 1.00 0.84 H new ATOM 0 HG21 THR A 27 -5.020 -4.583 7.815 1.00 0.79 H new ATOM 0 HG22 THR A 27 -3.830 -5.572 6.936 1.00 0.79 H new ATOM 0 HG23 THR A 27 -4.510 -4.114 6.176 1.00 0.79 H new ATOM 396 N LYS A 28 -7.015 -7.582 3.363 1.00 1.19 N ATOM 397 CA LYS A 28 -7.604 -8.793 2.797 1.00 1.11 C ATOM 398 C LYS A 28 -6.537 -9.695 2.157 1.00 0.82 C ATOM 399 O LYS A 28 -6.697 -10.914 2.135 1.00 0.97 O ATOM 400 CB LYS A 28 -8.627 -8.428 1.713 1.00 1.48 C ATOM 401 CG LYS A 28 -9.731 -7.475 2.203 1.00 1.37 C ATOM 402 CD LYS A 28 -10.719 -7.039 1.103 1.00 2.14 C ATOM 403 CE LYS A 28 -10.076 -6.750 -0.271 1.00 2.12 C ATOM 404 NZ LYS A 28 -10.722 -5.637 -0.993 1.00 3.79 N ATOM 0 H LYS A 28 -7.264 -6.727 2.866 1.00 1.19 H new ATOM 0 HA LYS A 28 -8.084 -9.328 3.616 1.00 1.11 H new ATOM 0 HB2 LYS A 28 -8.106 -7.966 0.874 1.00 1.48 H new ATOM 0 HB3 LYS A 28 -9.088 -9.342 1.338 1.00 1.48 H new ATOM 0 HG2 LYS A 28 -10.287 -7.962 3.004 1.00 1.37 H new ATOM 0 HG3 LYS A 28 -9.266 -6.587 2.632 1.00 1.37 H new ATOM 0 HD2 LYS A 28 -11.470 -7.819 0.979 1.00 2.14 H new ATOM 0 HD3 LYS A 28 -11.242 -6.143 1.439 1.00 2.14 H new ATOM 0 HE2 LYS A 28 -9.020 -6.518 -0.129 1.00 2.12 H new ATOM 0 HE3 LYS A 28 -10.125 -7.650 -0.884 1.00 2.12 H new ATOM 0 HZ1 LYS A 28 -10.944 -5.936 -1.964 1.00 3.79 H new ATOM 0 HZ2 LYS A 28 -11.600 -5.369 -0.504 1.00 3.79 H new ATOM 0 HZ3 LYS A 28 -10.078 -4.821 -1.020 1.00 3.79 H new ATOM 418 N HIS A 29 -5.502 -9.104 1.549 1.00 0.68 N ATOM 419 CA HIS A 29 -4.570 -9.829 0.693 1.00 0.80 C ATOM 420 C HIS A 29 -3.826 -10.900 1.496 1.00 0.86 C ATOM 421 O HIS A 29 -3.153 -10.588 2.478 1.00 1.72 O ATOM 422 CB HIS A 29 -3.598 -8.857 0.007 1.00 0.96 C ATOM 423 CG HIS A 29 -4.217 -8.086 -1.137 1.00 0.79 C ATOM 424 ND1 HIS A 29 -3.953 -8.239 -2.486 1.00 1.41 N ATOM 425 CD2 HIS A 29 -5.242 -7.186 -1.026 1.00 0.78 C ATOM 426 CE1 HIS A 29 -4.833 -7.479 -3.156 1.00 1.87 C ATOM 427 NE2 HIS A 29 -5.647 -6.825 -2.310 1.00 1.59 N ATOM 0 H HIS A 29 -5.291 -8.110 1.640 1.00 0.68 H new ATOM 0 HA HIS A 29 -5.135 -10.336 -0.090 1.00 0.80 H new ATOM 0 HB2 HIS A 29 -3.221 -8.151 0.747 1.00 0.96 H new ATOM 0 HB3 HIS A 29 -2.740 -9.417 -0.366 1.00 0.96 H new ATOM 0 HD1 HIS A 29 -3.224 -8.822 -2.896 1.00 1.41 H new ATOM 0 HD2 HIS A 29 -5.664 -6.819 -0.102 1.00 0.78 H new ATOM 0 HE1 HIS A 29 -4.881 -7.403 -4.232 1.00 1.87 H new ATOM 435 N ARG A 30 -3.935 -12.167 1.076 1.00 1.16 N ATOM 436 CA ARG A 30 -3.421 -13.322 1.808 1.00 1.28 C ATOM 437 C ARG A 30 -1.895 -13.434 1.651 1.00 1.46 C ATOM 438 O ARG A 30 -1.368 -14.392 1.090 1.00 2.88 O ATOM 439 CB ARG A 30 -4.188 -14.586 1.374 1.00 1.72 C ATOM 440 CG ARG A 30 -4.249 -15.686 2.448 1.00 2.34 C ATOM 441 CD ARG A 30 -2.876 -16.279 2.784 1.00 3.10 C ATOM 442 NE ARG A 30 -2.983 -17.429 3.693 1.00 3.91 N ATOM 443 CZ ARG A 30 -1.928 -18.133 4.136 1.00 5.13 C ATOM 444 NH1 ARG A 30 -0.696 -17.806 3.729 1.00 5.91 N ATOM 445 NH2 ARG A 30 -2.110 -19.155 4.981 1.00 6.12 N ATOM 0 H ARG A 30 -4.393 -12.418 0.200 1.00 1.16 H new ATOM 0 HA ARG A 30 -3.593 -13.198 2.877 1.00 1.28 H new ATOM 0 HB2 ARG A 30 -5.205 -14.304 1.100 1.00 1.72 H new ATOM 0 HB3 ARG A 30 -3.718 -14.993 0.479 1.00 1.72 H new ATOM 0 HG2 ARG A 30 -4.692 -15.275 3.355 1.00 2.34 H new ATOM 0 HG3 ARG A 30 -4.908 -16.484 2.105 1.00 2.34 H new ATOM 0 HD2 ARG A 30 -2.379 -16.588 1.864 1.00 3.10 H new ATOM 0 HD3 ARG A 30 -2.251 -15.512 3.241 1.00 3.10 H new ATOM 0 HE ARG A 30 -3.913 -17.709 4.006 1.00 3.91 H new ATOM 0 HH11 ARG A 30 -0.562 -17.026 3.086 1.00 5.91 H new ATOM 0 HH12 ARG A 30 0.109 -18.337 4.062 1.00 5.91 H new ATOM 0 HH21 ARG A 30 -3.051 -19.400 5.290 1.00 6.12 H new ATOM 0 HH22 ARG A 30 -1.308 -19.688 5.316 1.00 6.12 H new ATOM 459 N GLY A 31 -1.192 -12.449 2.201 1.00 0.71 N ATOM 460 CA GLY A 31 0.259 -12.365 2.260 1.00 0.77 C ATOM 461 C GLY A 31 0.746 -11.047 2.873 1.00 0.71 C ATOM 462 O GLY A 31 1.942 -10.765 2.825 1.00 1.13 O ATOM 0 H GLY A 31 -1.645 -11.647 2.640 1.00 0.71 H new ATOM 0 HA2 GLY A 31 0.644 -13.199 2.846 1.00 0.77 H new ATOM 0 HA3 GLY A 31 0.667 -12.467 1.254 1.00 0.77 H new ATOM 466 N ILE A 32 -0.159 -10.239 3.442 1.00 0.85 N ATOM 467 CA ILE A 32 0.125 -8.981 4.102 1.00 0.69 C ATOM 468 C ILE A 32 0.051 -9.247 5.614 1.00 0.85 C ATOM 469 O ILE A 32 -0.874 -9.906 6.085 1.00 1.26 O ATOM 470 CB ILE A 32 -0.901 -7.959 3.579 1.00 0.82 C ATOM 471 CG1 ILE A 32 -0.493 -6.480 3.577 1.00 0.69 C ATOM 472 CG2 ILE A 32 -2.236 -8.094 4.292 1.00 1.77 C ATOM 473 CD1 ILE A 32 0.033 -5.985 4.918 1.00 1.57 C ATOM 0 H ILE A 32 -1.153 -10.466 3.449 1.00 0.85 H new ATOM 0 HA ILE A 32 1.114 -8.571 3.897 1.00 0.69 H new ATOM 0 HB ILE A 32 -0.971 -8.234 2.527 1.00 0.82 H new ATOM 0 HG12 ILE A 32 0.273 -6.325 2.817 1.00 0.69 H new ATOM 0 HG13 ILE A 32 -1.353 -5.876 3.290 1.00 0.69 H new ATOM 0 HG21 ILE A 32 -2.935 -7.357 3.897 1.00 1.77 H new ATOM 0 HG22 ILE A 32 -2.635 -9.096 4.131 1.00 1.77 H new ATOM 0 HG23 ILE A 32 -2.097 -7.926 5.360 1.00 1.77 H new ATOM 0 HD11 ILE A 32 0.301 -4.931 4.837 1.00 1.57 H new ATOM 0 HD12 ILE A 32 -0.738 -6.106 5.679 1.00 1.57 H new ATOM 0 HD13 ILE A 32 0.914 -6.563 5.199 1.00 1.57 H new ATOM 485 N LEU A 33 1.038 -8.776 6.370 1.00 0.73 N ATOM 486 CA LEU A 33 1.056 -8.821 7.824 1.00 0.96 C ATOM 487 C LEU A 33 0.413 -7.543 8.364 1.00 0.88 C ATOM 488 O LEU A 33 -0.531 -7.607 9.147 1.00 1.07 O ATOM 489 CB LEU A 33 2.494 -8.946 8.360 1.00 1.27 C ATOM 490 CG LEU A 33 3.252 -10.247 8.047 1.00 1.46 C ATOM 491 CD1 LEU A 33 2.523 -11.483 8.587 1.00 2.79 C ATOM 492 CD2 LEU A 33 3.616 -10.452 6.571 1.00 2.20 C ATOM 0 H LEU A 33 1.871 -8.340 5.974 1.00 0.73 H new ATOM 0 HA LEU A 33 0.498 -9.696 8.156 1.00 0.96 H new ATOM 0 HB2 LEU A 33 3.075 -8.113 7.964 1.00 1.27 H new ATOM 0 HB3 LEU A 33 2.462 -8.826 9.443 1.00 1.27 H new ATOM 0 HG LEU A 33 4.199 -10.125 8.573 1.00 1.46 H new ATOM 0 HD11 LEU A 33 3.095 -12.378 8.343 1.00 2.79 H new ATOM 0 HD12 LEU A 33 2.421 -11.402 9.669 1.00 2.79 H new ATOM 0 HD13 LEU A 33 1.534 -11.549 8.134 1.00 2.79 H new ATOM 0 HD21 LEU A 33 4.147 -11.397 6.455 1.00 2.20 H new ATOM 0 HD22 LEU A 33 2.706 -10.471 5.971 1.00 2.20 H new ATOM 0 HD23 LEU A 33 4.254 -9.634 6.236 1.00 2.20 H new ATOM 504 N TYR A 34 0.948 -6.381 7.972 1.00 0.73 N ATOM 505 CA TYR A 34 0.545 -5.089 8.526 1.00 0.70 C ATOM 506 C TYR A 34 0.669 -3.969 7.489 1.00 0.63 C ATOM 507 O TYR A 34 1.680 -3.901 6.795 1.00 0.79 O ATOM 508 CB TYR A 34 1.438 -4.785 9.734 1.00 0.78 C ATOM 509 CG TYR A 34 0.971 -3.623 10.584 1.00 0.93 C ATOM 510 CD1 TYR A 34 -0.083 -3.806 11.498 1.00 2.42 C ATOM 511 CD2 TYR A 34 1.623 -2.378 10.511 1.00 1.88 C ATOM 512 CE1 TYR A 34 -0.467 -2.758 12.351 1.00 2.67 C ATOM 513 CE2 TYR A 34 1.296 -1.362 11.424 1.00 1.90 C ATOM 514 CZ TYR A 34 0.226 -1.536 12.317 1.00 1.51 C ATOM 515 OH TYR A 34 -0.102 -0.533 13.179 1.00 1.92 O ATOM 0 H TYR A 34 1.675 -6.313 7.259 1.00 0.73 H new ATOM 0 HA TYR A 34 -0.502 -5.141 8.825 1.00 0.70 H new ATOM 0 HB2 TYR A 34 1.497 -5.676 10.360 1.00 0.78 H new ATOM 0 HB3 TYR A 34 2.448 -4.577 9.380 1.00 0.78 H new ATOM 0 HD1 TYR A 34 -0.598 -4.754 11.544 1.00 2.42 H new ATOM 0 HD2 TYR A 34 2.374 -2.204 9.754 1.00 1.88 H new ATOM 0 HE1 TYR A 34 -1.294 -2.891 13.032 1.00 2.67 H new ATOM 0 HE2 TYR A 34 1.868 -0.446 11.439 1.00 1.90 H new ATOM 0 HH TYR A 34 0.479 0.240 13.018 1.00 1.92 H new ATOM 525 N CYS A 35 -0.323 -3.077 7.401 1.00 0.63 N ATOM 526 CA CYS A 35 -0.269 -1.874 6.568 1.00 0.60 C ATOM 527 C CYS A 35 -0.085 -0.655 7.466 1.00 0.60 C ATOM 528 O CYS A 35 -0.376 -0.713 8.661 1.00 0.88 O ATOM 529 CB CYS A 35 -1.574 -1.676 5.783 1.00 0.74 C ATOM 530 SG CYS A 35 -1.738 -2.807 4.393 1.00 1.76 S ATOM 0 H CYS A 35 -1.199 -3.173 7.915 1.00 0.63 H new ATOM 0 HA CYS A 35 0.559 -1.989 5.869 1.00 0.60 H new ATOM 0 HB2 CYS A 35 -2.420 -1.812 6.456 1.00 0.74 H new ATOM 0 HB3 CYS A 35 -1.619 -0.650 5.417 1.00 0.74 H new ATOM 0 HG CYS A 35 -2.968 -3.221 4.313 1.00 1.76 H new ATOM 536 N SER A 36 0.354 0.463 6.886 1.00 0.47 N ATOM 537 CA SER A 36 0.224 1.781 7.497 1.00 0.50 C ATOM 538 C SER A 36 0.122 2.848 6.404 1.00 0.50 C ATOM 539 O SER A 36 1.150 3.272 5.871 1.00 0.72 O ATOM 540 CB SER A 36 1.406 2.080 8.425 1.00 0.72 C ATOM 541 OG SER A 36 1.650 1.013 9.320 1.00 1.67 O ATOM 0 H SER A 36 0.812 0.477 5.975 1.00 0.47 H new ATOM 0 HA SER A 36 -0.684 1.794 8.100 1.00 0.50 H new ATOM 0 HB2 SER A 36 2.299 2.266 7.829 1.00 0.72 H new ATOM 0 HB3 SER A 36 1.204 2.990 8.990 1.00 0.72 H new ATOM 0 HG SER A 36 0.799 0.598 9.574 1.00 1.67 H new ATOM 547 N VAL A 37 -1.098 3.266 6.061 1.00 0.49 N ATOM 548 CA VAL A 37 -1.404 4.307 5.116 1.00 0.73 C ATOM 549 C VAL A 37 -1.491 5.651 5.851 1.00 0.69 C ATOM 550 O VAL A 37 -2.569 6.080 6.253 1.00 1.41 O ATOM 551 CB VAL A 37 -2.713 3.871 4.453 1.00 1.06 C ATOM 552 CG1 VAL A 37 -3.079 4.830 3.334 1.00 2.01 C ATOM 553 CG2 VAL A 37 -2.578 2.461 3.854 1.00 2.33 C ATOM 0 H VAL A 37 -1.938 2.854 6.467 1.00 0.49 H new ATOM 0 HA VAL A 37 -0.642 4.451 4.350 1.00 0.73 H new ATOM 0 HB VAL A 37 -3.488 3.872 5.219 1.00 1.06 H new ATOM 0 HG11 VAL A 37 -4.012 4.509 2.870 1.00 2.01 H new ATOM 0 HG12 VAL A 37 -3.202 5.834 3.741 1.00 2.01 H new ATOM 0 HG13 VAL A 37 -2.286 4.837 2.586 1.00 2.01 H new ATOM 0 HG21 VAL A 37 -3.520 2.172 3.388 1.00 2.33 H new ATOM 0 HG22 VAL A 37 -1.787 2.458 3.104 1.00 2.33 H new ATOM 0 HG23 VAL A 37 -2.331 1.752 4.644 1.00 2.33 H new ATOM 563 N ALA A 38 -0.359 6.335 6.036 1.00 0.90 N ATOM 564 CA ALA A 38 -0.339 7.642 6.680 1.00 1.01 C ATOM 565 C ALA A 38 -0.605 8.753 5.668 1.00 1.01 C ATOM 566 O ALA A 38 0.057 8.849 4.633 1.00 0.90 O ATOM 567 CB ALA A 38 0.983 7.905 7.387 1.00 1.02 C ATOM 0 H ALA A 38 0.559 5.999 5.745 1.00 0.90 H new ATOM 0 HA ALA A 38 -1.133 7.638 7.427 1.00 1.01 H new ATOM 0 HB1 ALA A 38 0.956 8.890 7.854 1.00 1.02 H new ATOM 0 HB2 ALA A 38 1.144 7.145 8.152 1.00 1.02 H new ATOM 0 HB3 ALA A 38 1.797 7.869 6.662 1.00 1.02 H new ATOM 573 N LEU A 39 -1.555 9.624 6.008 1.00 1.17 N ATOM 574 CA LEU A 39 -2.039 10.662 5.106 1.00 1.24 C ATOM 575 C LEU A 39 -1.059 11.829 5.037 1.00 1.22 C ATOM 576 O LEU A 39 -0.722 12.283 3.948 1.00 1.23 O ATOM 577 CB LEU A 39 -3.486 11.070 5.436 1.00 1.46 C ATOM 578 CG LEU A 39 -3.689 11.876 6.733 1.00 1.51 C ATOM 579 CD1 LEU A 39 -3.675 13.389 6.467 1.00 1.64 C ATOM 580 CD2 LEU A 39 -5.050 11.525 7.341 1.00 2.04 C ATOM 0 H LEU A 39 -2.010 9.627 6.921 1.00 1.17 H new ATOM 0 HA LEU A 39 -2.083 10.254 4.096 1.00 1.24 H new ATOM 0 HB2 LEU A 39 -3.874 11.657 4.604 1.00 1.46 H new ATOM 0 HB3 LEU A 39 -4.091 10.165 5.497 1.00 1.46 H new ATOM 0 HG LEU A 39 -2.872 11.622 7.408 1.00 1.51 H new ATOM 0 HD11 LEU A 39 -3.821 13.925 7.405 1.00 1.64 H new ATOM 0 HD12 LEU A 39 -2.717 13.673 6.032 1.00 1.64 H new ATOM 0 HD13 LEU A 39 -4.477 13.644 5.775 1.00 1.64 H new ATOM 0 HD21 LEU A 39 -5.196 12.094 8.259 1.00 2.04 H new ATOM 0 HD22 LEU A 39 -5.840 11.772 6.632 1.00 2.04 H new ATOM 0 HD23 LEU A 39 -5.084 10.459 7.566 1.00 2.04 H new ATOM 592 N ALA A 40 -0.561 12.290 6.189 1.00 1.26 N ATOM 593 CA ALA A 40 0.335 13.439 6.264 1.00 1.32 C ATOM 594 C ALA A 40 1.602 13.179 5.450 1.00 1.27 C ATOM 595 O ALA A 40 2.038 14.015 4.665 1.00 1.36 O ATOM 596 CB ALA A 40 0.669 13.737 7.728 1.00 1.42 C ATOM 0 H ALA A 40 -0.771 11.873 7.096 1.00 1.26 H new ATOM 0 HA ALA A 40 -0.160 14.312 5.838 1.00 1.32 H new ATOM 0 HB1 ALA A 40 1.338 14.596 7.781 1.00 1.42 H new ATOM 0 HB2 ALA A 40 -0.249 13.958 8.273 1.00 1.42 H new ATOM 0 HB3 ALA A 40 1.156 12.870 8.174 1.00 1.42 H new ATOM 602 N THR A 41 2.173 11.988 5.623 1.00 1.22 N ATOM 603 CA THR A 41 3.336 11.520 4.890 1.00 1.21 C ATOM 604 C THR A 41 2.976 11.139 3.446 1.00 1.10 C ATOM 605 O THR A 41 3.864 10.858 2.645 1.00 1.13 O ATOM 606 CB THR A 41 3.888 10.307 5.656 1.00 1.24 C ATOM 607 OG1 THR A 41 3.572 10.412 7.033 1.00 2.58 O ATOM 608 CG2 THR A 41 5.405 10.185 5.507 1.00 1.76 C ATOM 0 H THR A 41 1.825 11.307 6.298 1.00 1.22 H new ATOM 0 HA THR A 41 4.083 12.310 4.820 1.00 1.21 H new ATOM 0 HB THR A 41 3.423 9.418 5.229 1.00 1.24 H new ATOM 0 HG1 THR A 41 3.927 9.633 7.510 1.00 2.58 H new ATOM 0 HG21 THR A 41 5.756 9.316 6.063 1.00 1.76 H new ATOM 0 HG22 THR A 41 5.659 10.069 4.453 1.00 1.76 H new ATOM 0 HG23 THR A 41 5.882 11.083 5.898 1.00 1.76 H new ATOM 616 N ASN A 42 1.677 11.074 3.132 1.00 1.05 N ATOM 617 CA ASN A 42 1.118 10.566 1.889 1.00 1.03 C ATOM 618 C ASN A 42 1.656 9.171 1.551 1.00 0.97 C ATOM 619 O ASN A 42 1.776 8.811 0.381 1.00 1.03 O ATOM 620 CB ASN A 42 1.322 11.591 0.761 1.00 1.17 C ATOM 621 CG ASN A 42 0.462 11.253 -0.452 1.00 1.60 C ATOM 622 OD1 ASN A 42 0.964 11.013 -1.545 1.00 2.37 O ATOM 623 ND2 ASN A 42 -0.853 11.219 -0.264 1.00 2.69 N ATOM 0 H ASN A 42 0.955 11.393 3.778 1.00 1.05 H new ATOM 0 HA ASN A 42 0.043 10.435 2.012 1.00 1.03 H new ATOM 0 HB2 ASN A 42 1.071 12.588 1.122 1.00 1.17 H new ATOM 0 HB3 ASN A 42 2.372 11.613 0.471 1.00 1.17 H new ATOM 0 HD21 ASN A 42 -1.473 10.989 -1.040 1.00 2.69 H new ATOM 0 HD22 ASN A 42 -1.242 11.423 0.657 1.00 2.69 H new ATOM 630 N LYS A 43 1.971 8.377 2.581 1.00 0.95 N ATOM 631 CA LYS A 43 2.760 7.162 2.450 1.00 0.95 C ATOM 632 C LYS A 43 1.921 5.962 2.857 1.00 0.85 C ATOM 633 O LYS A 43 1.314 5.978 3.924 1.00 1.01 O ATOM 634 CB LYS A 43 4.039 7.243 3.298 1.00 1.09 C ATOM 635 CG LYS A 43 4.985 6.081 2.956 1.00 1.08 C ATOM 636 CD LYS A 43 6.129 5.899 3.957 1.00 1.18 C ATOM 637 CE LYS A 43 7.172 7.026 3.924 1.00 1.47 C ATOM 638 NZ LYS A 43 8.452 6.596 4.530 1.00 1.89 N ATOM 0 H LYS A 43 1.678 8.569 3.539 1.00 0.95 H new ATOM 0 HA LYS A 43 3.060 7.049 1.408 1.00 0.95 H new ATOM 0 HB2 LYS A 43 4.541 8.194 3.119 1.00 1.09 H new ATOM 0 HB3 LYS A 43 3.783 7.212 4.357 1.00 1.09 H new ATOM 0 HG2 LYS A 43 4.408 5.158 2.907 1.00 1.08 H new ATOM 0 HG3 LYS A 43 5.406 6.247 1.964 1.00 1.08 H new ATOM 0 HD2 LYS A 43 5.712 5.833 4.962 1.00 1.18 H new ATOM 0 HD3 LYS A 43 6.627 4.951 3.756 1.00 1.18 H new ATOM 0 HE2 LYS A 43 7.342 7.336 2.893 1.00 1.47 H new ATOM 0 HE3 LYS A 43 6.788 7.895 4.459 1.00 1.47 H new ATOM 0 HZ1 LYS A 43 8.896 7.403 5.013 1.00 1.89 H new ATOM 0 HZ2 LYS A 43 8.273 5.837 5.218 1.00 1.89 H new ATOM 0 HZ3 LYS A 43 9.088 6.245 3.786 1.00 1.89 H new ATOM 652 N ALA A 44 1.958 4.903 2.050 1.00 0.70 N ATOM 653 CA ALA A 44 1.553 3.577 2.475 1.00 0.61 C ATOM 654 C ALA A 44 2.811 2.740 2.634 1.00 0.56 C ATOM 655 O ALA A 44 3.496 2.478 1.643 1.00 0.57 O ATOM 656 CB ALA A 44 0.577 2.959 1.476 1.00 0.68 C ATOM 0 H ALA A 44 2.272 4.948 1.081 1.00 0.70 H new ATOM 0 HA ALA A 44 1.024 3.623 3.427 1.00 0.61 H new ATOM 0 HB1 ALA A 44 0.288 1.965 1.817 1.00 0.68 H new ATOM 0 HB2 ALA A 44 -0.310 3.588 1.397 1.00 0.68 H new ATOM 0 HB3 ALA A 44 1.055 2.883 0.500 1.00 0.68 H new ATOM 662 N HIS A 45 3.122 2.325 3.867 1.00 0.61 N ATOM 663 CA HIS A 45 4.006 1.184 4.040 1.00 0.60 C ATOM 664 C HIS A 45 3.146 -0.067 4.118 1.00 0.55 C ATOM 665 O HIS A 45 2.059 -0.040 4.701 1.00 0.54 O ATOM 666 CB HIS A 45 5.014 1.347 5.188 1.00 0.73 C ATOM 667 CG HIS A 45 4.639 0.790 6.540 1.00 0.66 C ATOM 668 ND1 HIS A 45 4.755 1.478 7.724 1.00 0.92 N ATOM 669 CD2 HIS A 45 4.466 -0.536 6.853 1.00 0.68 C ATOM 670 CE1 HIS A 45 4.606 0.594 8.723 1.00 1.04 C ATOM 671 NE2 HIS A 45 4.448 -0.655 8.249 1.00 0.88 N ATOM 0 H HIS A 45 2.784 2.751 4.730 1.00 0.61 H new ATOM 0 HA HIS A 45 4.665 1.098 3.176 1.00 0.60 H new ATOM 0 HB2 HIS A 45 5.949 0.879 4.881 1.00 0.73 H new ATOM 0 HB3 HIS A 45 5.215 2.412 5.309 1.00 0.73 H new ATOM 0 HD1 HIS A 45 4.924 2.479 7.825 1.00 0.92 H new ATOM 0 HD2 HIS A 45 4.362 -1.346 6.146 1.00 0.68 H new ATOM 0 HE1 HIS A 45 4.612 0.852 9.772 1.00 1.04 H new ATOM 679 N ILE A 46 3.640 -1.150 3.524 1.00 0.56 N ATOM 680 CA ILE A 46 3.024 -2.456 3.583 1.00 0.52 C ATOM 681 C ILE A 46 4.106 -3.427 4.041 1.00 0.51 C ATOM 682 O ILE A 46 5.186 -3.462 3.455 1.00 0.59 O ATOM 683 CB ILE A 46 2.448 -2.857 2.214 1.00 0.59 C ATOM 684 CG1 ILE A 46 1.501 -1.804 1.611 1.00 0.67 C ATOM 685 CG2 ILE A 46 1.655 -4.159 2.373 1.00 0.85 C ATOM 686 CD1 ILE A 46 2.226 -0.794 0.716 1.00 1.05 C ATOM 0 H ILE A 46 4.501 -1.135 2.977 1.00 0.56 H new ATOM 0 HA ILE A 46 2.184 -2.463 4.278 1.00 0.52 H new ATOM 0 HB ILE A 46 3.298 -2.964 1.540 1.00 0.59 H new ATOM 0 HG12 ILE A 46 0.728 -2.308 1.030 1.00 0.67 H new ATOM 0 HG13 ILE A 46 0.997 -1.271 2.418 1.00 0.67 H new ATOM 0 HG21 ILE A 46 1.242 -4.453 1.408 1.00 0.85 H new ATOM 0 HG22 ILE A 46 2.315 -4.945 2.740 1.00 0.85 H new ATOM 0 HG23 ILE A 46 0.843 -4.006 3.084 1.00 0.85 H new ATOM 0 HD11 ILE A 46 1.507 -0.077 0.320 1.00 1.05 H new ATOM 0 HD12 ILE A 46 2.980 -0.266 1.300 1.00 1.05 H new ATOM 0 HD13 ILE A 46 2.707 -1.319 -0.109 1.00 1.05 H new ATOM 698 N LYS A 47 3.807 -4.198 5.084 1.00 0.50 N ATOM 699 CA LYS A 47 4.593 -5.326 5.547 1.00 0.54 C ATOM 700 C LYS A 47 3.969 -6.601 5.002 1.00 0.49 C ATOM 701 O LYS A 47 3.191 -7.238 5.701 1.00 0.87 O ATOM 702 CB LYS A 47 4.624 -5.388 7.074 1.00 0.63 C ATOM 703 CG LYS A 47 5.142 -4.108 7.724 1.00 0.75 C ATOM 704 CD LYS A 47 5.680 -4.518 9.098 1.00 1.11 C ATOM 705 CE LYS A 47 6.230 -3.336 9.902 1.00 1.46 C ATOM 706 NZ LYS A 47 5.183 -2.352 10.242 1.00 3.26 N ATOM 0 H LYS A 47 2.973 -4.042 5.650 1.00 0.50 H new ATOM 0 HA LYS A 47 5.618 -5.214 5.193 1.00 0.54 H new ATOM 0 HB2 LYS A 47 3.619 -5.592 7.442 1.00 0.63 H new ATOM 0 HB3 LYS A 47 5.252 -6.223 7.383 1.00 0.63 H new ATOM 0 HG2 LYS A 47 5.926 -3.653 7.118 1.00 0.75 H new ATOM 0 HG3 LYS A 47 4.346 -3.370 7.821 1.00 0.75 H new ATOM 0 HD2 LYS A 47 4.883 -4.997 9.666 1.00 1.11 H new ATOM 0 HD3 LYS A 47 6.468 -5.259 8.967 1.00 1.11 H new ATOM 0 HE2 LYS A 47 6.689 -3.706 10.819 1.00 1.46 H new ATOM 0 HE3 LYS A 47 7.015 -2.844 9.328 1.00 1.46 H new ATOM 0 HZ1 LYS A 47 5.472 -1.815 11.085 1.00 3.26 H new ATOM 0 HZ2 LYS A 47 5.049 -1.698 9.444 1.00 3.26 H new ATOM 0 HZ3 LYS A 47 4.290 -2.848 10.437 1.00 3.26 H new ATOM 720 N TYR A 48 4.252 -6.940 3.749 1.00 0.66 N ATOM 721 CA TYR A 48 3.804 -8.146 3.079 1.00 0.57 C ATOM 722 C TYR A 48 4.986 -9.023 2.693 1.00 0.60 C ATOM 723 O TYR A 48 6.117 -8.546 2.642 1.00 0.73 O ATOM 724 CB TYR A 48 3.043 -7.764 1.803 1.00 0.57 C ATOM 725 CG TYR A 48 3.924 -7.093 0.762 1.00 0.65 C ATOM 726 CD1 TYR A 48 4.324 -5.761 0.937 1.00 2.12 C ATOM 727 CD2 TYR A 48 4.465 -7.833 -0.303 1.00 1.68 C ATOM 728 CE1 TYR A 48 5.260 -5.180 0.078 1.00 2.31 C ATOM 729 CE2 TYR A 48 5.392 -7.245 -1.179 1.00 1.65 C ATOM 730 CZ TYR A 48 5.818 -5.929 -0.965 1.00 1.09 C ATOM 731 OH TYR A 48 6.803 -5.397 -1.740 1.00 1.47 O ATOM 0 H TYR A 48 4.828 -6.350 3.148 1.00 0.66 H new ATOM 0 HA TYR A 48 3.158 -8.698 3.762 1.00 0.57 H new ATOM 0 HB2 TYR A 48 2.598 -8.660 1.371 1.00 0.57 H new ATOM 0 HB3 TYR A 48 2.223 -7.094 2.063 1.00 0.57 H new ATOM 0 HD1 TYR A 48 3.905 -5.178 1.744 1.00 2.12 H new ATOM 0 HD2 TYR A 48 4.166 -8.860 -0.449 1.00 1.68 H new ATOM 0 HE1 TYR A 48 5.554 -4.150 0.219 1.00 2.31 H new ATOM 0 HE2 TYR A 48 5.776 -7.808 -2.017 1.00 1.65 H new ATOM 0 HH TYR A 48 7.077 -6.052 -2.416 1.00 1.47 H new ATOM 741 N ASP A 49 4.706 -10.280 2.347 1.00 0.62 N ATOM 742 CA ASP A 49 5.719 -11.205 1.879 1.00 0.66 C ATOM 743 C ASP A 49 6.016 -10.970 0.387 1.00 0.69 C ATOM 744 O ASP A 49 5.130 -11.152 -0.454 1.00 0.87 O ATOM 745 CB ASP A 49 5.237 -12.628 2.140 1.00 0.82 C ATOM 746 CG ASP A 49 6.286 -13.622 1.677 1.00 1.98 C ATOM 747 OD1 ASP A 49 6.503 -13.708 0.448 1.00 3.44 O ATOM 748 OD2 ASP A 49 6.883 -14.246 2.576 1.00 2.72 O ATOM 0 H ASP A 49 3.768 -10.678 2.386 1.00 0.62 H new ATOM 0 HA ASP A 49 6.652 -11.043 2.418 1.00 0.66 H new ATOM 0 HB2 ASP A 49 5.038 -12.765 3.203 1.00 0.82 H new ATOM 0 HB3 ASP A 49 4.299 -12.805 1.615 1.00 0.82 H new ATOM 753 N PRO A 50 7.240 -10.553 0.025 1.00 0.79 N ATOM 754 CA PRO A 50 7.601 -10.278 -1.354 1.00 1.01 C ATOM 755 C PRO A 50 7.810 -11.534 -2.203 1.00 1.20 C ATOM 756 O PRO A 50 7.881 -11.406 -3.424 1.00 1.68 O ATOM 757 CB PRO A 50 8.875 -9.434 -1.281 1.00 1.21 C ATOM 758 CG PRO A 50 9.531 -9.925 0.007 1.00 1.22 C ATOM 759 CD PRO A 50 8.327 -10.180 0.911 1.00 0.96 C ATOM 0 HA PRO A 50 6.785 -9.759 -1.856 1.00 1.01 H new ATOM 0 HB2 PRO A 50 9.516 -9.593 -2.148 1.00 1.21 H new ATOM 0 HB3 PRO A 50 8.652 -8.368 -1.241 1.00 1.21 H new ATOM 0 HG2 PRO A 50 10.117 -10.830 -0.155 1.00 1.22 H new ATOM 0 HG3 PRO A 50 10.205 -9.180 0.429 1.00 1.22 H new ATOM 0 HD2 PRO A 50 8.537 -10.974 1.628 1.00 0.96 H new ATOM 0 HD3 PRO A 50 8.074 -9.289 1.487 1.00 0.96 H new ATOM 767 N GLU A 51 7.914 -12.721 -1.600 1.00 1.11 N ATOM 768 CA GLU A 51 8.192 -13.948 -2.325 1.00 1.27 C ATOM 769 C GLU A 51 6.888 -14.477 -2.925 1.00 1.26 C ATOM 770 O GLU A 51 6.858 -14.866 -4.091 1.00 1.76 O ATOM 771 CB GLU A 51 8.847 -14.978 -1.390 1.00 1.34 C ATOM 772 CG GLU A 51 10.066 -14.425 -0.630 1.00 2.46 C ATOM 773 CD GLU A 51 11.189 -13.964 -1.549 1.00 2.92 C ATOM 774 OE1 GLU A 51 11.567 -14.769 -2.428 1.00 3.18 O ATOM 775 OE2 GLU A 51 11.672 -12.832 -1.332 1.00 4.39 O ATOM 0 H GLU A 51 7.807 -12.851 -0.594 1.00 1.11 H new ATOM 0 HA GLU A 51 8.893 -13.754 -3.137 1.00 1.27 H new ATOM 0 HB2 GLU A 51 8.107 -15.327 -0.670 1.00 1.34 H new ATOM 0 HB3 GLU A 51 9.155 -15.844 -1.975 1.00 1.34 H new ATOM 0 HG2 GLU A 51 9.749 -13.589 -0.007 1.00 2.46 H new ATOM 0 HG3 GLU A 51 10.447 -15.195 0.041 1.00 2.46 H new ATOM 782 N ILE A 52 5.812 -14.501 -2.128 1.00 1.03 N ATOM 783 CA ILE A 52 4.504 -14.960 -2.595 1.00 1.04 C ATOM 784 C ILE A 52 3.744 -13.862 -3.354 1.00 1.26 C ATOM 785 O ILE A 52 3.828 -13.777 -4.576 1.00 2.05 O ATOM 786 CB ILE A 52 3.680 -15.603 -1.458 1.00 0.87 C ATOM 787 CG1 ILE A 52 3.726 -14.833 -0.131 1.00 0.73 C ATOM 788 CG2 ILE A 52 4.166 -17.035 -1.205 1.00 1.00 C ATOM 789 CD1 ILE A 52 2.378 -14.895 0.593 1.00 0.98 C ATOM 0 H ILE A 52 5.826 -14.205 -1.152 1.00 1.03 H new ATOM 0 HA ILE A 52 4.678 -15.753 -3.322 1.00 1.04 H new ATOM 0 HB ILE A 52 2.646 -15.584 -1.802 1.00 0.87 H new ATOM 0 HG12 ILE A 52 4.504 -15.251 0.508 1.00 0.73 H new ATOM 0 HG13 ILE A 52 3.993 -13.793 -0.320 1.00 0.73 H new ATOM 0 HG21 ILE A 52 3.580 -17.482 -0.402 1.00 1.00 H new ATOM 0 HG22 ILE A 52 4.046 -17.626 -2.113 1.00 1.00 H new ATOM 0 HG23 ILE A 52 5.218 -17.017 -0.920 1.00 1.00 H new ATOM 0 HD11 ILE A 52 2.442 -14.341 1.529 1.00 0.98 H new ATOM 0 HD12 ILE A 52 1.606 -14.454 -0.038 1.00 0.98 H new ATOM 0 HD13 ILE A 52 2.125 -15.934 0.803 1.00 0.98 H new ATOM 801 N ILE A 53 2.949 -13.056 -2.645 1.00 0.77 N ATOM 802 CA ILE A 53 2.062 -12.049 -3.216 1.00 0.82 C ATOM 803 C ILE A 53 2.843 -11.050 -4.075 1.00 0.96 C ATOM 804 O ILE A 53 2.451 -10.747 -5.201 1.00 1.20 O ATOM 805 CB ILE A 53 1.225 -11.381 -2.102 1.00 0.77 C ATOM 806 CG1 ILE A 53 0.463 -10.175 -2.671 1.00 1.06 C ATOM 807 CG2 ILE A 53 2.056 -10.921 -0.895 1.00 0.83 C ATOM 808 CD1 ILE A 53 -0.692 -9.758 -1.763 1.00 1.17 C ATOM 0 H ILE A 53 2.907 -13.090 -1.626 1.00 0.77 H new ATOM 0 HA ILE A 53 1.356 -12.532 -3.892 1.00 0.82 H new ATOM 0 HB ILE A 53 0.537 -12.146 -1.744 1.00 0.77 H new ATOM 0 HG12 ILE A 53 1.149 -9.337 -2.796 1.00 1.06 H new ATOM 0 HG13 ILE A 53 0.078 -10.422 -3.660 1.00 1.06 H new ATOM 0 HG21 ILE A 53 1.400 -10.462 -0.155 1.00 0.83 H new ATOM 0 HG22 ILE A 53 2.559 -11.780 -0.451 1.00 0.83 H new ATOM 0 HG23 ILE A 53 2.800 -10.194 -1.221 1.00 0.83 H new ATOM 0 HD11 ILE A 53 -1.207 -8.902 -2.199 1.00 1.17 H new ATOM 0 HD12 ILE A 53 -1.391 -10.588 -1.659 1.00 1.17 H new ATOM 0 HD13 ILE A 53 -0.303 -9.486 -0.782 1.00 1.17 H new ATOM 820 N GLY A 54 3.960 -10.550 -3.549 1.00 1.05 N ATOM 821 CA GLY A 54 4.839 -9.674 -4.299 1.00 1.19 C ATOM 822 C GLY A 54 4.329 -8.229 -4.352 1.00 1.07 C ATOM 823 O GLY A 54 3.171 -7.944 -4.048 1.00 1.05 O ATOM 0 H GLY A 54 4.274 -10.743 -2.598 1.00 1.05 H new ATOM 0 HA2 GLY A 54 5.831 -9.689 -3.848 1.00 1.19 H new ATOM 0 HA3 GLY A 54 4.945 -10.055 -5.315 1.00 1.19 H new ATOM 827 N PRO A 55 5.209 -7.290 -4.731 1.00 1.05 N ATOM 828 CA PRO A 55 4.911 -5.865 -4.780 1.00 1.01 C ATOM 829 C PRO A 55 3.848 -5.532 -5.829 1.00 0.99 C ATOM 830 O PRO A 55 3.042 -4.625 -5.634 1.00 0.96 O ATOM 831 CB PRO A 55 6.243 -5.185 -5.123 1.00 1.04 C ATOM 832 CG PRO A 55 7.063 -6.279 -5.809 1.00 1.07 C ATOM 833 CD PRO A 55 6.585 -7.554 -5.115 1.00 1.10 C ATOM 0 HA PRO A 55 4.501 -5.521 -3.831 1.00 1.01 H new ATOM 0 HB2 PRO A 55 6.094 -4.329 -5.781 1.00 1.04 H new ATOM 0 HB3 PRO A 55 6.743 -4.816 -4.227 1.00 1.04 H new ATOM 0 HG2 PRO A 55 6.877 -6.310 -6.882 1.00 1.07 H new ATOM 0 HG3 PRO A 55 8.134 -6.124 -5.676 1.00 1.07 H new ATOM 0 HD2 PRO A 55 6.649 -8.413 -5.783 1.00 1.10 H new ATOM 0 HD3 PRO A 55 7.200 -7.781 -4.244 1.00 1.10 H new ATOM 841 N ARG A 56 3.888 -6.221 -6.971 1.00 1.03 N ATOM 842 CA ARG A 56 3.108 -5.868 -8.149 1.00 1.13 C ATOM 843 C ARG A 56 1.603 -5.897 -7.839 1.00 0.99 C ATOM 844 O ARG A 56 0.901 -4.924 -8.114 1.00 1.01 O ATOM 845 CB ARG A 56 3.521 -6.794 -9.310 1.00 1.34 C ATOM 846 CG ARG A 56 3.416 -6.158 -10.704 1.00 1.74 C ATOM 847 CD ARG A 56 4.364 -4.957 -10.897 1.00 3.30 C ATOM 848 NE ARG A 56 3.624 -3.711 -11.173 1.00 4.42 N ATOM 849 CZ ARG A 56 4.054 -2.452 -10.985 1.00 6.09 C ATOM 850 NH1 ARG A 56 5.285 -2.209 -10.522 1.00 6.98 N ATOM 851 NH2 ARG A 56 3.230 -1.444 -11.277 1.00 7.35 N ATOM 0 H ARG A 56 4.471 -7.048 -7.101 1.00 1.03 H new ATOM 0 HA ARG A 56 3.317 -4.843 -8.455 1.00 1.13 H new ATOM 0 HB2 ARG A 56 4.549 -7.119 -9.150 1.00 1.34 H new ATOM 0 HB3 ARG A 56 2.897 -7.687 -9.285 1.00 1.34 H new ATOM 0 HG2 ARG A 56 3.638 -6.913 -11.458 1.00 1.74 H new ATOM 0 HG3 ARG A 56 2.389 -5.833 -10.871 1.00 1.74 H new ATOM 0 HD2 ARG A 56 4.972 -4.827 -10.002 1.00 3.30 H new ATOM 0 HD3 ARG A 56 5.048 -5.163 -11.720 1.00 3.30 H new ATOM 0 HE ARG A 56 2.681 -3.817 -11.548 1.00 4.42 H new ATOM 0 HH11 ARG A 56 5.911 -2.985 -10.307 1.00 6.98 H new ATOM 0 HH12 ARG A 56 5.598 -1.248 -10.384 1.00 6.98 H new ATOM 0 HH21 ARG A 56 2.295 -1.637 -11.635 1.00 7.35 H new ATOM 0 HH22 ARG A 56 3.535 -0.480 -11.142 1.00 7.35 H new ATOM 865 N ASP A 57 1.127 -6.996 -7.238 1.00 0.91 N ATOM 866 CA ASP A 57 -0.271 -7.174 -6.849 1.00 0.84 C ATOM 867 C ASP A 57 -0.752 -5.961 -6.057 1.00 0.73 C ATOM 868 O ASP A 57 -1.708 -5.279 -6.425 1.00 0.76 O ATOM 869 CB ASP A 57 -0.426 -8.440 -5.991 1.00 0.78 C ATOM 870 CG ASP A 57 -1.883 -8.632 -5.573 1.00 1.48 C ATOM 871 OD1 ASP A 57 -2.737 -8.597 -6.482 1.00 2.43 O ATOM 872 OD2 ASP A 57 -2.129 -8.793 -4.357 1.00 2.43 O ATOM 0 H ASP A 57 1.715 -7.797 -7.007 1.00 0.91 H new ATOM 0 HA ASP A 57 -0.873 -7.277 -7.752 1.00 0.84 H new ATOM 0 HB2 ASP A 57 -0.086 -9.310 -6.552 1.00 0.78 H new ATOM 0 HB3 ASP A 57 0.205 -8.365 -5.105 1.00 0.78 H new ATOM 877 N ILE A 58 -0.030 -5.675 -4.975 1.00 0.66 N ATOM 878 CA ILE A 58 -0.272 -4.543 -4.102 1.00 0.60 C ATOM 879 C ILE A 58 -0.308 -3.262 -4.920 1.00 0.67 C ATOM 880 O ILE A 58 -1.340 -2.602 -4.954 1.00 0.64 O ATOM 881 CB ILE A 58 0.770 -4.556 -2.970 1.00 0.61 C ATOM 882 CG1 ILE A 58 0.437 -5.740 -2.043 1.00 0.57 C ATOM 883 CG2 ILE A 58 0.805 -3.238 -2.182 1.00 0.62 C ATOM 884 CD1 ILE A 58 1.652 -6.198 -1.244 1.00 0.74 C ATOM 0 H ILE A 58 0.762 -6.246 -4.678 1.00 0.66 H new ATOM 0 HA ILE A 58 -1.248 -4.606 -3.621 1.00 0.60 H new ATOM 0 HB ILE A 58 1.764 -4.668 -3.403 1.00 0.61 H new ATOM 0 HG12 ILE A 58 -0.360 -5.451 -1.358 1.00 0.57 H new ATOM 0 HG13 ILE A 58 0.060 -6.572 -2.638 1.00 0.57 H new ATOM 0 HG21 ILE A 58 1.558 -3.304 -1.396 1.00 0.62 H new ATOM 0 HG22 ILE A 58 1.054 -2.418 -2.855 1.00 0.62 H new ATOM 0 HG23 ILE A 58 -0.172 -3.056 -1.734 1.00 0.62 H new ATOM 0 HD11 ILE A 58 1.372 -7.034 -0.604 1.00 0.74 H new ATOM 0 HD12 ILE A 58 2.440 -6.513 -1.928 1.00 0.74 H new ATOM 0 HD13 ILE A 58 2.014 -5.375 -0.628 1.00 0.74 H new ATOM 896 N ILE A 59 0.777 -2.914 -5.609 1.00 0.78 N ATOM 897 CA ILE A 59 0.840 -1.678 -6.377 1.00 0.87 C ATOM 898 C ILE A 59 -0.378 -1.537 -7.305 1.00 0.88 C ATOM 899 O ILE A 59 -0.987 -0.473 -7.359 1.00 0.95 O ATOM 900 CB ILE A 59 2.204 -1.582 -7.091 1.00 0.99 C ATOM 901 CG1 ILE A 59 3.311 -1.297 -6.058 1.00 1.24 C ATOM 902 CG2 ILE A 59 2.208 -0.510 -8.187 1.00 1.12 C ATOM 903 CD1 ILE A 59 4.719 -1.543 -6.611 1.00 1.68 C ATOM 0 H ILE A 59 1.627 -3.476 -5.649 1.00 0.78 H new ATOM 0 HA ILE A 59 0.779 -0.818 -5.710 1.00 0.87 H new ATOM 0 HB ILE A 59 2.394 -2.539 -7.578 1.00 0.99 H new ATOM 0 HG12 ILE A 59 3.233 -0.262 -5.725 1.00 1.24 H new ATOM 0 HG13 ILE A 59 3.155 -1.927 -5.182 1.00 1.24 H new ATOM 0 HG21 ILE A 59 3.189 -0.479 -8.662 1.00 1.12 H new ATOM 0 HG22 ILE A 59 1.451 -0.750 -8.934 1.00 1.12 H new ATOM 0 HG23 ILE A 59 1.987 0.462 -7.746 1.00 1.12 H new ATOM 0 HD11 ILE A 59 5.456 -1.326 -5.838 1.00 1.68 H new ATOM 0 HD12 ILE A 59 4.812 -2.584 -6.919 1.00 1.68 H new ATOM 0 HD13 ILE A 59 4.891 -0.894 -7.470 1.00 1.68 H new ATOM 915 N HIS A 60 -0.783 -2.604 -7.994 1.00 0.85 N ATOM 916 CA HIS A 60 -1.914 -2.519 -8.919 1.00 0.92 C ATOM 917 C HIS A 60 -3.255 -2.495 -8.192 1.00 0.79 C ATOM 918 O HIS A 60 -4.199 -1.857 -8.655 1.00 0.77 O ATOM 919 CB HIS A 60 -1.860 -3.597 -10.001 1.00 1.11 C ATOM 920 CG HIS A 60 -0.890 -3.217 -11.086 1.00 1.72 C ATOM 921 ND1 HIS A 60 -1.041 -2.182 -11.984 1.00 2.58 N ATOM 922 CD2 HIS A 60 0.401 -3.643 -11.172 1.00 2.28 C ATOM 923 CE1 HIS A 60 0.133 -2.014 -12.612 1.00 3.18 C ATOM 924 NE2 HIS A 60 1.060 -2.872 -12.138 1.00 3.02 N ATOM 0 H HIS A 60 -0.352 -3.526 -7.931 1.00 0.85 H new ATOM 0 HA HIS A 60 -1.823 -1.562 -9.432 1.00 0.92 H new ATOM 0 HB2 HIS A 60 -1.563 -4.548 -9.559 1.00 1.11 H new ATOM 0 HB3 HIS A 60 -2.853 -3.740 -10.428 1.00 1.11 H new ATOM 0 HD1 HIS A 60 -1.891 -1.642 -12.142 1.00 2.58 H new ATOM 0 HD2 HIS A 60 0.842 -4.441 -10.593 1.00 2.28 H new ATOM 0 HE1 HIS A 60 0.312 -1.289 -13.392 1.00 3.18 H new ATOM 932 N THR A 61 -3.354 -3.144 -7.034 1.00 0.72 N ATOM 933 CA THR A 61 -4.542 -3.017 -6.206 1.00 0.66 C ATOM 934 C THR A 61 -4.687 -1.554 -5.792 1.00 0.61 C ATOM 935 O THR A 61 -5.749 -0.956 -5.937 1.00 0.63 O ATOM 936 CB THR A 61 -4.439 -3.943 -4.990 1.00 0.68 C ATOM 937 OG1 THR A 61 -4.301 -5.273 -5.438 1.00 0.82 O ATOM 938 CG2 THR A 61 -5.696 -3.850 -4.122 1.00 0.69 C ATOM 0 H THR A 61 -2.632 -3.756 -6.654 1.00 0.72 H new ATOM 0 HA THR A 61 -5.430 -3.316 -6.763 1.00 0.66 H new ATOM 0 HB THR A 61 -3.577 -3.640 -4.396 1.00 0.68 H new ATOM 0 HG1 THR A 61 -3.406 -5.399 -5.817 1.00 0.82 H new ATOM 0 HG21 THR A 61 -5.597 -4.517 -3.266 1.00 0.69 H new ATOM 0 HG22 THR A 61 -5.821 -2.826 -3.771 1.00 0.69 H new ATOM 0 HG23 THR A 61 -6.566 -4.141 -4.710 1.00 0.69 H new ATOM 946 N ILE A 62 -3.603 -0.978 -5.283 1.00 0.61 N ATOM 947 CA ILE A 62 -3.547 0.383 -4.787 1.00 0.69 C ATOM 948 C ILE A 62 -3.912 1.360 -5.909 1.00 0.68 C ATOM 949 O ILE A 62 -4.763 2.229 -5.723 1.00 0.65 O ATOM 950 CB ILE A 62 -2.144 0.628 -4.212 1.00 0.83 C ATOM 951 CG1 ILE A 62 -1.805 -0.333 -3.054 1.00 0.96 C ATOM 952 CG2 ILE A 62 -2.011 2.084 -3.766 1.00 1.01 C ATOM 953 CD1 ILE A 62 -2.357 0.136 -1.724 1.00 1.51 C ATOM 0 H ILE A 62 -2.711 -1.467 -5.204 1.00 0.61 H new ATOM 0 HA ILE A 62 -4.272 0.544 -3.989 1.00 0.69 H new ATOM 0 HB ILE A 62 -1.424 0.426 -5.005 1.00 0.83 H new ATOM 0 HG12 ILE A 62 -2.204 -1.322 -3.280 1.00 0.96 H new ATOM 0 HG13 ILE A 62 -0.723 -0.436 -2.978 1.00 0.96 H new ATOM 0 HG21 ILE A 62 -1.013 2.250 -3.359 1.00 1.01 H new ATOM 0 HG22 ILE A 62 -2.169 2.742 -4.620 1.00 1.01 H new ATOM 0 HG23 ILE A 62 -2.756 2.299 -3.000 1.00 1.01 H new ATOM 0 HD11 ILE A 62 -2.088 -0.579 -0.946 1.00 1.51 H new ATOM 0 HD12 ILE A 62 -1.938 1.112 -1.480 1.00 1.51 H new ATOM 0 HD13 ILE A 62 -3.443 0.212 -1.787 1.00 1.51 H new ATOM 965 N GLU A 63 -3.285 1.190 -7.076 1.00 0.76 N ATOM 966 CA GLU A 63 -3.607 1.881 -8.308 1.00 0.85 C ATOM 967 C GLU A 63 -5.119 1.800 -8.553 1.00 0.85 C ATOM 968 O GLU A 63 -5.811 2.818 -8.555 1.00 0.89 O ATOM 969 CB GLU A 63 -2.771 1.201 -9.399 1.00 0.94 C ATOM 970 CG GLU A 63 -2.847 1.804 -10.792 1.00 1.08 C ATOM 971 CD GLU A 63 -2.078 0.903 -11.751 1.00 2.16 C ATOM 972 OE1 GLU A 63 -2.687 -0.087 -12.214 1.00 2.54 O ATOM 973 OE2 GLU A 63 -0.867 1.150 -11.935 1.00 3.53 O ATOM 0 H GLU A 63 -2.508 0.538 -7.183 1.00 0.76 H new ATOM 0 HA GLU A 63 -3.368 2.944 -8.285 1.00 0.85 H new ATOM 0 HB2 GLU A 63 -1.728 1.207 -9.082 1.00 0.94 H new ATOM 0 HB3 GLU A 63 -3.079 0.157 -9.463 1.00 0.94 H new ATOM 0 HG2 GLU A 63 -3.886 1.896 -11.109 1.00 1.08 H new ATOM 0 HG3 GLU A 63 -2.423 2.808 -10.794 1.00 1.08 H new ATOM 980 N SER A 64 -5.638 0.577 -8.696 1.00 0.86 N ATOM 981 CA SER A 64 -7.037 0.312 -9.003 1.00 0.92 C ATOM 982 C SER A 64 -7.990 0.879 -7.947 1.00 0.83 C ATOM 983 O SER A 64 -9.118 1.238 -8.278 1.00 0.86 O ATOM 984 CB SER A 64 -7.258 -1.191 -9.190 1.00 0.99 C ATOM 985 OG SER A 64 -8.564 -1.448 -9.675 1.00 1.20 O ATOM 0 H SER A 64 -5.081 -0.272 -8.598 1.00 0.86 H new ATOM 0 HA SER A 64 -7.269 0.827 -9.935 1.00 0.92 H new ATOM 0 HB2 SER A 64 -6.521 -1.588 -9.888 1.00 0.99 H new ATOM 0 HB3 SER A 64 -7.109 -1.706 -8.241 1.00 0.99 H new ATOM 0 HG SER A 64 -8.686 -2.414 -9.790 1.00 1.20 H new ATOM 991 N LEU A 65 -7.578 0.936 -6.677 1.00 0.75 N ATOM 992 CA LEU A 65 -8.379 1.541 -5.619 1.00 0.70 C ATOM 993 C LEU A 65 -8.520 3.055 -5.816 1.00 0.71 C ATOM 994 O LEU A 65 -9.395 3.654 -5.186 1.00 0.79 O ATOM 995 CB LEU A 65 -7.810 1.200 -4.231 1.00 0.66 C ATOM 996 CG LEU A 65 -8.100 -0.245 -3.786 1.00 1.13 C ATOM 997 CD1 LEU A 65 -7.219 -0.587 -2.579 1.00 1.99 C ATOM 998 CD2 LEU A 65 -9.567 -0.451 -3.384 1.00 1.58 C ATOM 0 H LEU A 65 -6.683 0.565 -6.359 1.00 0.75 H new ATOM 0 HA LEU A 65 -9.381 1.116 -5.678 1.00 0.70 H new ATOM 0 HB2 LEU A 65 -6.732 1.359 -4.240 1.00 0.66 H new ATOM 0 HB3 LEU A 65 -8.228 1.889 -3.497 1.00 0.66 H new ATOM 0 HG LEU A 65 -7.885 -0.894 -4.635 1.00 1.13 H new ATOM 0 HD11 LEU A 65 -7.420 -1.610 -2.260 1.00 1.99 H new ATOM 0 HD12 LEU A 65 -6.169 -0.494 -2.857 1.00 1.99 H new ATOM 0 HD13 LEU A 65 -7.440 0.099 -1.761 1.00 1.99 H new ATOM 0 HD21 LEU A 65 -9.719 -1.486 -3.079 1.00 1.58 H new ATOM 0 HD22 LEU A 65 -9.814 0.212 -2.555 1.00 1.58 H new ATOM 0 HD23 LEU A 65 -10.212 -0.225 -4.233 1.00 1.58 H new ATOM 1010 N GLY A 66 -7.710 3.663 -6.683 1.00 0.74 N ATOM 1011 CA GLY A 66 -7.887 5.033 -7.138 1.00 0.73 C ATOM 1012 C GLY A 66 -6.900 5.956 -6.441 1.00 0.61 C ATOM 1013 O GLY A 66 -7.286 7.004 -5.927 1.00 0.64 O ATOM 0 H GLY A 66 -6.897 3.203 -7.094 1.00 0.74 H new ATOM 0 HA2 GLY A 66 -7.744 5.086 -8.217 1.00 0.73 H new ATOM 0 HA3 GLY A 66 -8.907 5.361 -6.935 1.00 0.73 H new ATOM 1017 N PHE A 67 -5.625 5.563 -6.443 1.00 0.62 N ATOM 1018 CA PHE A 67 -4.530 6.328 -5.870 1.00 0.56 C ATOM 1019 C PHE A 67 -3.316 6.187 -6.776 1.00 0.67 C ATOM 1020 O PHE A 67 -3.318 5.325 -7.651 1.00 0.86 O ATOM 1021 CB PHE A 67 -4.196 5.780 -4.481 1.00 0.57 C ATOM 1022 CG PHE A 67 -5.364 5.765 -3.526 1.00 0.54 C ATOM 1023 CD1 PHE A 67 -5.898 6.988 -3.094 1.00 1.99 C ATOM 1024 CD2 PHE A 67 -5.989 4.556 -3.170 1.00 1.96 C ATOM 1025 CE1 PHE A 67 -7.055 7.006 -2.305 1.00 1.96 C ATOM 1026 CE2 PHE A 67 -7.107 4.574 -2.319 1.00 2.00 C ATOM 1027 CZ PHE A 67 -7.625 5.801 -1.867 1.00 0.55 C ATOM 0 H PHE A 67 -5.324 4.680 -6.855 1.00 0.62 H new ATOM 0 HA PHE A 67 -4.812 7.377 -5.782 1.00 0.56 H new ATOM 0 HB2 PHE A 67 -3.813 4.765 -4.585 1.00 0.57 H new ATOM 0 HB3 PHE A 67 -3.395 6.380 -4.049 1.00 0.57 H new ATOM 0 HD1 PHE A 67 -5.417 7.915 -3.370 1.00 1.99 H new ATOM 0 HD2 PHE A 67 -5.611 3.618 -3.549 1.00 1.96 H new ATOM 0 HE1 PHE A 67 -7.509 7.948 -2.034 1.00 1.96 H new ATOM 0 HE2 PHE A 67 -7.568 3.647 -2.012 1.00 2.00 H new ATOM 0 HZ PHE A 67 -8.461 5.816 -1.183 1.00 0.55 H new ATOM 1037 N GLU A 68 -2.272 6.989 -6.544 1.00 0.68 N ATOM 1038 CA GLU A 68 -1.044 6.911 -7.331 1.00 0.82 C ATOM 1039 C GLU A 68 0.125 6.307 -6.553 1.00 0.80 C ATOM 1040 O GLU A 68 0.907 7.086 -6.014 1.00 0.89 O ATOM 1041 CB GLU A 68 -0.641 8.303 -7.823 1.00 1.06 C ATOM 1042 CG GLU A 68 -1.698 9.050 -8.640 1.00 1.69 C ATOM 1043 CD GLU A 68 -1.174 10.434 -8.998 1.00 2.61 C ATOM 1044 OE1 GLU A 68 0.066 10.541 -9.145 1.00 3.10 O ATOM 1045 OE2 GLU A 68 -1.993 11.374 -9.026 1.00 3.76 O ATOM 0 H GLU A 68 -2.256 7.701 -5.814 1.00 0.68 H new ATOM 0 HA GLU A 68 -1.261 6.253 -8.173 1.00 0.82 H new ATOM 0 HB2 GLU A 68 -0.379 8.912 -6.958 1.00 1.06 H new ATOM 0 HB3 GLU A 68 0.260 8.207 -8.429 1.00 1.06 H new ATOM 0 HG2 GLU A 68 -1.934 8.493 -9.546 1.00 1.69 H new ATOM 0 HG3 GLU A 68 -2.622 9.135 -8.068 1.00 1.69 H new ATOM 1052 N PRO A 69 0.289 4.972 -6.502 1.00 0.78 N ATOM 1053 CA PRO A 69 1.390 4.338 -5.790 1.00 0.81 C ATOM 1054 C PRO A 69 2.737 4.579 -6.478 1.00 0.96 C ATOM 1055 O PRO A 69 3.310 3.676 -7.085 1.00 1.46 O ATOM 1056 CB PRO A 69 1.028 2.853 -5.689 1.00 0.79 C ATOM 1057 CG PRO A 69 0.095 2.620 -6.870 1.00 0.79 C ATOM 1058 CD PRO A 69 -0.603 3.967 -7.063 1.00 0.77 C ATOM 0 HA PRO A 69 1.519 4.767 -4.796 1.00 0.81 H new ATOM 0 HB2 PRO A 69 1.914 2.221 -5.750 1.00 0.79 H new ATOM 0 HB3 PRO A 69 0.538 2.625 -4.742 1.00 0.79 H new ATOM 0 HG2 PRO A 69 0.647 2.325 -7.762 1.00 0.79 H new ATOM 0 HG3 PRO A 69 -0.622 1.826 -6.662 1.00 0.79 H new ATOM 0 HD2 PRO A 69 -0.791 4.160 -8.119 1.00 0.77 H new ATOM 0 HD3 PRO A 69 -1.570 3.980 -6.559 1.00 0.77 H new ATOM 1066 N SER A 70 3.266 5.792 -6.328 1.00 1.00 N ATOM 1067 CA SER A 70 4.647 6.101 -6.654 1.00 1.26 C ATOM 1068 C SER A 70 5.558 5.354 -5.680 1.00 1.11 C ATOM 1069 O SER A 70 5.241 5.232 -4.498 1.00 1.10 O ATOM 1070 CB SER A 70 4.879 7.611 -6.540 1.00 1.58 C ATOM 1071 OG SER A 70 4.350 8.282 -7.673 1.00 2.04 O ATOM 0 H SER A 70 2.740 6.591 -5.974 1.00 1.00 H new ATOM 0 HA SER A 70 4.869 5.791 -7.675 1.00 1.26 H new ATOM 0 HB2 SER A 70 4.408 7.990 -5.633 1.00 1.58 H new ATOM 0 HB3 SER A 70 5.946 7.815 -6.454 1.00 1.58 H new ATOM 0 HG SER A 70 3.802 7.660 -8.195 1.00 2.04 H new ATOM 1077 N LEU A 71 6.702 4.866 -6.146 1.00 1.34 N ATOM 1078 CA LEU A 71 7.712 4.294 -5.276 1.00 1.33 C ATOM 1079 C LEU A 71 8.489 5.424 -4.592 1.00 1.58 C ATOM 1080 O LEU A 71 8.544 6.554 -5.069 1.00 2.32 O ATOM 1081 CB LEU A 71 8.608 3.350 -6.087 1.00 1.55 C ATOM 1082 CG LEU A 71 7.919 2.007 -6.367 1.00 1.83 C ATOM 1083 CD1 LEU A 71 8.572 1.336 -7.580 1.00 2.60 C ATOM 1084 CD2 LEU A 71 8.006 1.060 -5.165 1.00 3.13 C ATOM 0 H LEU A 71 6.951 4.858 -7.135 1.00 1.34 H new ATOM 0 HA LEU A 71 7.255 3.697 -4.487 1.00 1.33 H new ATOM 0 HB2 LEU A 71 8.875 3.825 -7.031 1.00 1.55 H new ATOM 0 HB3 LEU A 71 9.537 3.175 -5.544 1.00 1.55 H new ATOM 0 HG LEU A 71 6.867 2.211 -6.565 1.00 1.83 H new ATOM 0 HD11 LEU A 71 8.081 0.383 -7.777 1.00 2.60 H new ATOM 0 HD12 LEU A 71 8.471 1.983 -8.452 1.00 2.60 H new ATOM 0 HD13 LEU A 71 9.629 1.164 -7.376 1.00 2.60 H new ATOM 0 HD21 LEU A 71 7.506 0.121 -5.404 1.00 3.13 H new ATOM 0 HD22 LEU A 71 9.052 0.865 -4.931 1.00 3.13 H new ATOM 0 HD23 LEU A 71 7.521 1.520 -4.304 1.00 3.13 H new