USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 664 hydrogens (35 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 17 SER OG : rot -140:sc= 0.937 USER MOD Set 1.2: A 48 THR OG1 : rot 76:sc= 1.22 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= -0.0098 (180deg=-0.154) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -98:sc= 1.68 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0445 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 148:sc= -0.455 (180deg=-1.61!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 91:sc= -1.83 USER MOD Single : A 59 SER OG : rot 19:sc= 0.111 USER MOD Single : A 70 THR OG1 : rot -49:sc= -0.412 USER MOD Single : A 79 ASN : amide:sc= 0.0039 X(o=0.0039,f=0) USER MOD Single : A 87 SXO O33 : rot -5:sc= 0.982 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.814 12.869 1.901 1.00 3.98 N ATOM 2 CA MET A 1 -17.863 13.173 0.803 1.00 3.18 C ATOM 3 C MET A 1 -16.865 12.030 0.632 1.00 2.64 C ATOM 4 O MET A 1 -16.629 11.570 -0.485 1.00 2.90 O ATOM 5 CB MET A 1 -17.121 14.487 1.088 1.00 3.46 C ATOM 6 CG MET A 1 -18.039 15.691 1.232 1.00 3.84 C ATOM 7 SD MET A 1 -19.046 15.985 -0.233 1.00 4.73 S ATOM 8 CE MET A 1 -20.050 17.361 0.325 1.00 5.02 C ATOM 0 H1 MET A 1 -19.575 13.577 1.907 1.00 3.98 H new ATOM 0 H2 MET A 1 -19.222 11.923 1.755 1.00 3.98 H new ATOM 0 H3 MET A 1 -18.312 12.893 2.812 1.00 3.98 H new ATOM 0 HA MET A 1 -18.427 13.284 -0.123 1.00 3.18 H new ATOM 0 HB2 MET A 1 -16.539 14.374 2.003 1.00 3.46 H new ATOM 0 HB3 MET A 1 -16.413 14.676 0.281 1.00 3.46 H new ATOM 0 HG2 MET A 1 -18.692 15.542 2.092 1.00 3.84 H new ATOM 0 HG3 MET A 1 -17.438 16.577 1.437 1.00 3.84 H new ATOM 0 HE1 MET A 1 -20.730 17.662 -0.472 1.00 5.02 H new ATOM 0 HE2 MET A 1 -20.627 17.059 1.199 1.00 5.02 H new ATOM 0 HE3 MET A 1 -19.405 18.199 0.588 1.00 5.02 H new ATOM 20 N ALA A 2 -16.299 11.582 1.757 1.00 2.32 N ATOM 21 CA ALA A 2 -15.383 10.437 1.801 1.00 1.93 C ATOM 22 C ALA A 2 -14.074 10.700 1.055 1.00 1.46 C ATOM 23 O ALA A 2 -14.013 10.644 -0.171 1.00 1.43 O ATOM 24 CB ALA A 2 -16.058 9.180 1.267 1.00 2.06 C ATOM 0 H ALA A 2 -16.465 12.007 2.670 1.00 2.32 H new ATOM 0 HA ALA A 2 -15.127 10.283 2.849 1.00 1.93 H new ATOM 0 HB1 ALA A 2 -15.359 8.345 1.310 1.00 2.06 H new ATOM 0 HB2 ALA A 2 -16.934 8.951 1.874 1.00 2.06 H new ATOM 0 HB3 ALA A 2 -16.365 9.343 0.234 1.00 2.06 H new ATOM 30 N THR A 3 -13.025 10.987 1.810 1.00 1.35 N ATOM 31 CA THR A 3 -11.699 11.144 1.239 1.00 1.09 C ATOM 32 C THR A 3 -11.047 9.770 1.077 1.00 0.90 C ATOM 33 O THR A 3 -10.748 9.086 2.058 1.00 1.14 O ATOM 34 CB THR A 3 -10.812 12.081 2.103 1.00 1.49 C ATOM 35 OG1 THR A 3 -9.482 12.151 1.569 1.00 2.10 O ATOM 36 CG2 THR A 3 -10.766 11.635 3.563 1.00 2.10 C ATOM 0 H THR A 3 -13.068 11.116 2.821 1.00 1.35 H new ATOM 0 HA THR A 3 -11.797 11.612 0.259 1.00 1.09 H new ATOM 0 HB THR A 3 -11.264 13.072 2.071 1.00 1.49 H new ATOM 0 HG1 THR A 3 -8.937 12.747 2.125 1.00 2.10 H new ATOM 0 HG21 THR A 3 -10.135 12.318 4.132 1.00 2.10 H new ATOM 0 HG22 THR A 3 -11.774 11.642 3.977 1.00 2.10 H new ATOM 0 HG23 THR A 3 -10.356 10.627 3.623 1.00 2.10 H new ATOM 44 N LEU A 4 -10.888 9.345 -0.168 1.00 0.64 N ATOM 45 CA LEU A 4 -10.337 8.030 -0.468 1.00 0.51 C ATOM 46 C LEU A 4 -8.817 8.021 -0.322 1.00 0.45 C ATOM 47 O LEU A 4 -8.208 9.032 0.026 1.00 0.52 O ATOM 48 CB LEU A 4 -10.722 7.600 -1.887 1.00 0.57 C ATOM 49 CG LEU A 4 -12.219 7.656 -2.210 1.00 0.58 C ATOM 50 CD1 LEU A 4 -12.482 7.105 -3.604 1.00 0.88 C ATOM 51 CD2 LEU A 4 -13.024 6.889 -1.172 1.00 0.84 C ATOM 0 H LEU A 4 -11.134 9.895 -0.991 1.00 0.64 H new ATOM 0 HA LEU A 4 -10.757 7.324 0.248 1.00 0.51 H new ATOM 0 HB2 LEU A 4 -10.191 8.234 -2.597 1.00 0.57 H new ATOM 0 HB3 LEU A 4 -10.372 6.580 -2.047 1.00 0.57 H new ATOM 0 HG LEU A 4 -12.536 8.698 -2.184 1.00 0.58 H new ATOM 0 HD11 LEU A 4 -13.550 7.152 -3.818 1.00 0.88 H new ATOM 0 HD12 LEU A 4 -11.938 7.699 -4.339 1.00 0.88 H new ATOM 0 HD13 LEU A 4 -12.147 6.069 -3.655 1.00 0.88 H new ATOM 0 HD21 LEU A 4 -14.084 6.942 -1.421 1.00 0.84 H new ATOM 0 HD22 LEU A 4 -12.706 5.847 -1.162 1.00 0.84 H new ATOM 0 HD23 LEU A 4 -12.860 7.328 -0.188 1.00 0.84 H new ATOM 63 N LEU A 5 -8.219 6.876 -0.617 1.00 0.39 N ATOM 64 CA LEU A 5 -6.780 6.688 -0.479 1.00 0.35 C ATOM 65 C LEU A 5 -6.068 7.275 -1.701 1.00 0.35 C ATOM 66 O LEU A 5 -6.361 6.883 -2.833 1.00 0.41 O ATOM 67 CB LEU A 5 -6.489 5.185 -0.376 1.00 0.38 C ATOM 68 CG LEU A 5 -5.295 4.774 0.496 1.00 0.58 C ATOM 69 CD1 LEU A 5 -5.239 3.262 0.634 1.00 1.00 C ATOM 70 CD2 LEU A 5 -3.983 5.291 -0.067 1.00 0.98 C ATOM 0 H LEU A 5 -8.715 6.052 -0.958 1.00 0.39 H new ATOM 0 HA LEU A 5 -6.419 7.195 0.416 1.00 0.35 H new ATOM 0 HB2 LEU A 5 -7.380 4.691 0.012 1.00 0.38 H new ATOM 0 HB3 LEU A 5 -6.324 4.800 -1.382 1.00 0.38 H new ATOM 0 HG LEU A 5 -5.437 5.222 1.479 1.00 0.58 H new ATOM 0 HD11 LEU A 5 -4.387 2.985 1.255 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -6.158 2.905 1.098 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -5.131 2.810 -0.352 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -3.162 4.979 0.579 1.00 0.98 H new ATOM 0 HD22 LEU A 5 -3.832 4.886 -1.068 1.00 0.98 H new ATOM 0 HD23 LEU A 5 -4.012 6.379 -0.117 1.00 0.98 H new ATOM 82 N THR A 6 -5.148 8.208 -1.480 1.00 0.39 N ATOM 83 CA THR A 6 -4.411 8.821 -2.581 1.00 0.49 C ATOM 84 C THR A 6 -2.987 8.273 -2.661 1.00 0.42 C ATOM 85 O THR A 6 -2.540 7.548 -1.768 1.00 0.41 O ATOM 86 CB THR A 6 -4.346 10.359 -2.439 1.00 0.69 C ATOM 87 OG1 THR A 6 -3.537 10.712 -1.310 1.00 1.21 O ATOM 88 CG2 THR A 6 -5.740 10.955 -2.279 1.00 1.03 C ATOM 0 H THR A 6 -4.895 8.555 -0.555 1.00 0.39 H new ATOM 0 HA THR A 6 -4.951 8.572 -3.495 1.00 0.49 H new ATOM 0 HB THR A 6 -3.901 10.765 -3.348 1.00 0.69 H new ATOM 0 HG1 THR A 6 -4.113 10.895 -0.539 1.00 1.21 H new ATOM 0 HG21 THR A 6 -5.664 12.038 -2.181 1.00 1.03 H new ATOM 0 HG22 THR A 6 -6.343 10.711 -3.154 1.00 1.03 H new ATOM 0 HG23 THR A 6 -6.212 10.543 -1.387 1.00 1.03 H new ATOM 96 N THR A 7 -2.271 8.614 -3.731 1.00 0.47 N ATOM 97 CA THR A 7 -0.877 8.223 -3.863 1.00 0.45 C ATOM 98 C THR A 7 -0.020 8.834 -2.753 1.00 0.34 C ATOM 99 O THR A 7 0.902 8.190 -2.257 1.00 0.33 O ATOM 100 CB THR A 7 -0.311 8.588 -5.251 1.00 0.59 C ATOM 101 OG1 THR A 7 -0.885 9.815 -5.716 1.00 1.30 O ATOM 102 CG2 THR A 7 -0.590 7.480 -6.255 1.00 1.06 C ATOM 0 H THR A 7 -2.635 9.158 -4.513 1.00 0.47 H new ATOM 0 HA THR A 7 -0.839 7.138 -3.763 1.00 0.45 H new ATOM 0 HB THR A 7 0.768 8.711 -5.155 1.00 0.59 H new ATOM 0 HG1 THR A 7 -0.516 10.036 -6.597 1.00 1.30 H new ATOM 0 HG21 THR A 7 -0.182 7.758 -7.227 1.00 1.06 H new ATOM 0 HG22 THR A 7 -0.122 6.556 -5.916 1.00 1.06 H new ATOM 0 HG23 THR A 7 -1.666 7.331 -6.342 1.00 1.06 H new ATOM 110 N ASP A 8 -0.336 10.067 -2.346 1.00 0.41 N ATOM 111 CA ASP A 8 0.404 10.717 -1.259 1.00 0.46 C ATOM 112 C ASP A 8 0.067 10.061 0.074 1.00 0.40 C ATOM 113 O ASP A 8 0.934 9.883 0.933 1.00 0.48 O ATOM 114 CB ASP A 8 0.105 12.217 -1.190 1.00 0.64 C ATOM 115 CG ASP A 8 0.895 12.897 -0.086 1.00 1.36 C ATOM 116 OD1 ASP A 8 2.134 12.984 -0.210 1.00 1.63 O ATOM 117 OD2 ASP A 8 0.285 13.343 0.908 1.00 2.19 O ATOM 0 H ASP A 8 -1.088 10.629 -2.746 1.00 0.41 H new ATOM 0 HA ASP A 8 1.467 10.595 -1.466 1.00 0.46 H new ATOM 0 HB2 ASP A 8 0.345 12.680 -2.147 1.00 0.64 H new ATOM 0 HB3 ASP A 8 -0.961 12.368 -1.021 1.00 0.64 H new ATOM 122 N ASP A 9 -1.194 9.682 0.224 1.00 0.40 N ATOM 123 CA ASP A 9 -1.640 8.940 1.398 1.00 0.44 C ATOM 124 C ASP A 9 -0.861 7.644 1.525 1.00 0.38 C ATOM 125 O ASP A 9 -0.391 7.289 2.608 1.00 0.44 O ATOM 126 CB ASP A 9 -3.129 8.613 1.299 1.00 0.58 C ATOM 127 CG ASP A 9 -4.029 9.700 1.847 1.00 0.86 C ATOM 128 OD1 ASP A 9 -4.249 9.723 3.078 1.00 1.12 O ATOM 129 OD2 ASP A 9 -4.542 10.508 1.048 1.00 1.12 O ATOM 0 H ASP A 9 -1.930 9.876 -0.455 1.00 0.40 H new ATOM 0 HA ASP A 9 -1.466 9.564 2.275 1.00 0.44 H new ATOM 0 HB2 ASP A 9 -3.384 8.435 0.254 1.00 0.58 H new ATOM 0 HB3 ASP A 9 -3.325 7.686 1.837 1.00 0.58 H new ATOM 134 N LEU A 10 -0.722 6.949 0.405 1.00 0.35 N ATOM 135 CA LEU A 10 0.035 5.709 0.357 1.00 0.37 C ATOM 136 C LEU A 10 1.522 5.994 0.561 1.00 0.37 C ATOM 137 O LEU A 10 2.212 5.251 1.258 1.00 0.42 O ATOM 138 CB LEU A 10 -0.193 5.004 -0.984 1.00 0.42 C ATOM 139 CG LEU A 10 0.337 3.570 -1.073 1.00 0.58 C ATOM 140 CD1 LEU A 10 -0.344 2.681 -0.042 1.00 1.08 C ATOM 141 CD2 LEU A 10 0.131 3.017 -2.475 1.00 0.79 C ATOM 0 H LEU A 10 -1.128 7.227 -0.489 1.00 0.35 H new ATOM 0 HA LEU A 10 -0.308 5.054 1.158 1.00 0.37 H new ATOM 0 HB2 LEU A 10 -1.263 4.991 -1.190 1.00 0.42 H new ATOM 0 HB3 LEU A 10 0.276 5.596 -1.770 1.00 0.42 H new ATOM 0 HG LEU A 10 1.406 3.583 -0.859 1.00 0.58 H new ATOM 0 HD11 LEU A 10 0.046 1.666 -0.122 1.00 1.08 H new ATOM 0 HD12 LEU A 10 -0.148 3.068 0.958 1.00 1.08 H new ATOM 0 HD13 LEU A 10 -1.419 2.671 -0.223 1.00 1.08 H new ATOM 0 HD21 LEU A 10 0.512 1.997 -2.524 1.00 0.79 H new ATOM 0 HD22 LEU A 10 -0.932 3.018 -2.714 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.665 3.639 -3.193 1.00 0.79 H new ATOM 153 N ARG A 11 2.000 7.089 -0.036 1.00 0.37 N ATOM 154 CA ARG A 11 3.396 7.507 0.092 1.00 0.45 C ATOM 155 C ARG A 11 3.792 7.610 1.557 1.00 0.48 C ATOM 156 O ARG A 11 4.789 7.027 1.986 1.00 0.60 O ATOM 157 CB ARG A 11 3.623 8.857 -0.609 1.00 0.52 C ATOM 158 CG ARG A 11 5.066 9.337 -0.558 1.00 0.67 C ATOM 159 CD ARG A 11 5.258 10.677 -1.265 1.00 0.85 C ATOM 160 NE ARG A 11 4.612 11.795 -0.567 1.00 1.04 N ATOM 161 CZ ARG A 11 5.276 12.785 0.038 1.00 1.36 C ATOM 162 NH1 ARG A 11 6.606 12.781 0.070 1.00 1.64 N ATOM 163 NH2 ARG A 11 4.602 13.780 0.598 1.00 2.17 N ATOM 0 H ARG A 11 1.433 7.706 -0.618 1.00 0.37 H new ATOM 0 HA ARG A 11 4.020 6.753 -0.388 1.00 0.45 H new ATOM 0 HB2 ARG A 11 3.314 8.772 -1.651 1.00 0.52 H new ATOM 0 HB3 ARG A 11 2.983 9.609 -0.147 1.00 0.52 H new ATOM 0 HG2 ARG A 11 5.379 9.430 0.482 1.00 0.67 H new ATOM 0 HG3 ARG A 11 5.711 8.590 -1.020 1.00 0.67 H new ATOM 0 HD2 ARG A 11 6.324 10.882 -1.358 1.00 0.85 H new ATOM 0 HD3 ARG A 11 4.857 10.608 -2.276 1.00 0.85 H new ATOM 0 HE ARG A 11 3.593 11.818 -0.542 1.00 1.04 H new ATOM 0 HH11 ARG A 11 7.124 12.020 -0.369 1.00 1.64 H new ATOM 0 HH12 ARG A 11 7.107 13.539 0.533 1.00 1.64 H new ATOM 0 HH21 ARG A 11 3.583 13.787 0.566 1.00 2.17 H new ATOM 0 HH22 ARG A 11 5.103 14.538 1.061 1.00 2.17 H new ATOM 177 N ARG A 12 2.987 8.338 2.326 1.00 0.43 N ATOM 178 CA ARG A 12 3.228 8.500 3.753 1.00 0.46 C ATOM 179 C ARG A 12 3.171 7.165 4.479 1.00 0.44 C ATOM 180 O ARG A 12 4.008 6.880 5.335 1.00 0.46 O ATOM 181 CB ARG A 12 2.205 9.448 4.376 1.00 0.53 C ATOM 182 CG ARG A 12 2.443 10.909 4.053 1.00 0.91 C ATOM 183 CD ARG A 12 1.680 11.817 5.006 1.00 1.49 C ATOM 184 NE ARG A 12 2.143 11.667 6.389 1.00 2.06 N ATOM 185 CZ ARG A 12 2.131 12.636 7.301 1.00 2.93 C ATOM 186 NH1 ARG A 12 1.580 13.810 7.025 1.00 3.32 N ATOM 187 NH2 ARG A 12 2.643 12.413 8.507 1.00 3.66 N ATOM 0 H ARG A 12 2.160 8.826 1.982 1.00 0.43 H new ATOM 0 HA ARG A 12 4.227 8.922 3.861 1.00 0.46 H new ATOM 0 HB2 ARG A 12 1.209 9.168 4.033 1.00 0.53 H new ATOM 0 HB3 ARG A 12 2.217 9.319 5.458 1.00 0.53 H new ATOM 0 HG2 ARG A 12 3.509 11.128 4.114 1.00 0.91 H new ATOM 0 HG3 ARG A 12 2.134 11.112 3.028 1.00 0.91 H new ATOM 0 HD2 ARG A 12 1.799 12.854 4.693 1.00 1.49 H new ATOM 0 HD3 ARG A 12 0.616 11.588 4.952 1.00 1.49 H new ATOM 0 HE ARG A 12 2.500 10.754 6.672 1.00 2.06 H new ATOM 0 HH11 ARG A 12 1.162 13.975 6.109 1.00 3.32 H new ATOM 0 HH12 ARG A 12 1.574 14.549 7.728 1.00 3.32 H new ATOM 0 HH21 ARG A 12 3.043 11.502 8.731 1.00 3.66 H new ATOM 0 HH22 ARG A 12 2.636 13.153 9.209 1.00 3.66 H new ATOM 201 N ALA A 13 2.198 6.339 4.108 1.00 0.43 N ATOM 202 CA ALA A 13 1.943 5.082 4.806 1.00 0.44 C ATOM 203 C ALA A 13 3.139 4.141 4.746 1.00 0.43 C ATOM 204 O ALA A 13 3.437 3.450 5.715 1.00 0.47 O ATOM 205 CB ALA A 13 0.718 4.396 4.226 1.00 0.49 C ATOM 0 H ALA A 13 1.570 6.518 3.324 1.00 0.43 H new ATOM 0 HA ALA A 13 1.764 5.325 5.853 1.00 0.44 H new ATOM 0 HB1 ALA A 13 0.540 3.460 4.756 1.00 0.49 H new ATOM 0 HB2 ALA A 13 -0.150 5.046 4.336 1.00 0.49 H new ATOM 0 HB3 ALA A 13 0.884 4.188 3.169 1.00 0.49 H new ATOM 211 N LEU A 14 3.819 4.116 3.610 1.00 0.41 N ATOM 212 CA LEU A 14 4.999 3.276 3.455 1.00 0.45 C ATOM 213 C LEU A 14 6.182 3.843 4.239 1.00 0.47 C ATOM 214 O LEU A 14 6.825 3.128 5.004 1.00 0.53 O ATOM 215 CB LEU A 14 5.379 3.117 1.974 1.00 0.49 C ATOM 216 CG LEU A 14 4.635 2.020 1.195 1.00 0.51 C ATOM 217 CD1 LEU A 14 4.894 0.651 1.811 1.00 0.79 C ATOM 218 CD2 LEU A 14 3.142 2.307 1.137 1.00 0.70 C ATOM 0 H LEU A 14 3.577 4.664 2.785 1.00 0.41 H new ATOM 0 HA LEU A 14 4.753 2.293 3.856 1.00 0.45 H new ATOM 0 HB2 LEU A 14 5.207 4.069 1.472 1.00 0.49 H new ATOM 0 HB3 LEU A 14 6.448 2.914 1.915 1.00 0.49 H new ATOM 0 HG LEU A 14 5.018 2.016 0.174 1.00 0.51 H new ATOM 0 HD11 LEU A 14 4.358 -0.110 1.244 1.00 0.79 H new ATOM 0 HD12 LEU A 14 5.962 0.437 1.786 1.00 0.79 H new ATOM 0 HD13 LEU A 14 4.547 0.645 2.844 1.00 0.79 H new ATOM 0 HD21 LEU A 14 2.641 1.515 0.580 1.00 0.70 H new ATOM 0 HD22 LEU A 14 2.740 2.349 2.149 1.00 0.70 H new ATOM 0 HD23 LEU A 14 2.974 3.262 0.640 1.00 0.70 H new ATOM 230 N VAL A 15 6.447 5.135 4.064 1.00 0.50 N ATOM 231 CA VAL A 15 7.600 5.783 4.693 1.00 0.57 C ATOM 232 C VAL A 15 7.500 5.755 6.220 1.00 0.60 C ATOM 233 O VAL A 15 8.434 5.328 6.908 1.00 0.71 O ATOM 234 CB VAL A 15 7.732 7.249 4.217 1.00 0.60 C ATOM 235 CG1 VAL A 15 8.902 7.940 4.899 1.00 0.70 C ATOM 236 CG2 VAL A 15 7.888 7.312 2.704 1.00 0.60 C ATOM 0 H VAL A 15 5.878 5.758 3.490 1.00 0.50 H new ATOM 0 HA VAL A 15 8.485 5.222 4.393 1.00 0.57 H new ATOM 0 HB VAL A 15 6.818 7.774 4.493 1.00 0.60 H new ATOM 0 HG11 VAL A 15 8.972 8.969 4.547 1.00 0.70 H new ATOM 0 HG12 VAL A 15 8.748 7.936 5.978 1.00 0.70 H new ATOM 0 HG13 VAL A 15 9.825 7.411 4.662 1.00 0.70 H new ATOM 0 HG21 VAL A 15 7.979 8.352 2.391 1.00 0.60 H new ATOM 0 HG22 VAL A 15 8.782 6.764 2.407 1.00 0.60 H new ATOM 0 HG23 VAL A 15 7.014 6.865 2.229 1.00 0.60 H new ATOM 246 N GLU A 16 6.371 6.212 6.744 1.00 0.59 N ATOM 247 CA GLU A 16 6.173 6.297 8.188 1.00 0.70 C ATOM 248 C GLU A 16 6.087 4.914 8.837 1.00 0.75 C ATOM 249 O GLU A 16 6.349 4.772 10.031 1.00 0.92 O ATOM 250 CB GLU A 16 4.919 7.115 8.508 1.00 0.86 C ATOM 251 CG GLU A 16 5.048 8.581 8.127 1.00 0.96 C ATOM 252 CD GLU A 16 3.766 9.362 8.333 1.00 1.17 C ATOM 253 OE1 GLU A 16 2.939 9.399 7.406 1.00 1.28 O ATOM 254 OE2 GLU A 16 3.590 9.964 9.415 1.00 1.49 O ATOM 0 H GLU A 16 5.575 6.531 6.191 1.00 0.59 H new ATOM 0 HA GLU A 16 7.044 6.801 8.607 1.00 0.70 H new ATOM 0 HB2 GLU A 16 4.067 6.683 7.983 1.00 0.86 H new ATOM 0 HB3 GLU A 16 4.707 7.041 9.575 1.00 0.86 H new ATOM 0 HG2 GLU A 16 5.843 9.036 8.718 1.00 0.96 H new ATOM 0 HG3 GLU A 16 5.347 8.654 7.081 1.00 0.96 H new ATOM 261 N SER A 17 5.724 3.898 8.063 1.00 0.68 N ATOM 262 CA SER A 17 5.649 2.542 8.592 1.00 0.78 C ATOM 263 C SER A 17 7.027 1.883 8.574 1.00 0.80 C ATOM 264 O SER A 17 7.322 1.029 9.412 1.00 1.05 O ATOM 265 CB SER A 17 4.651 1.704 7.786 1.00 0.81 C ATOM 266 OG SER A 17 4.304 0.515 8.480 1.00 1.25 O ATOM 0 H SER A 17 5.479 3.986 7.077 1.00 0.68 H new ATOM 0 HA SER A 17 5.303 2.597 9.624 1.00 0.78 H new ATOM 0 HB2 SER A 17 3.753 2.290 7.591 1.00 0.81 H new ATOM 0 HB3 SER A 17 5.083 1.451 6.818 1.00 0.81 H new ATOM 0 HG SER A 17 4.246 -0.229 7.845 1.00 1.25 H new ATOM 272 N ALA A 18 7.862 2.285 7.622 1.00 0.74 N ATOM 273 CA ALA A 18 9.203 1.735 7.500 1.00 0.87 C ATOM 274 C ALA A 18 10.123 2.303 8.576 1.00 1.11 C ATOM 275 O ALA A 18 10.627 1.570 9.427 1.00 1.68 O ATOM 276 CB ALA A 18 9.767 2.011 6.113 1.00 1.09 C ATOM 0 H ALA A 18 7.631 2.991 6.923 1.00 0.74 H new ATOM 0 HA ALA A 18 9.143 0.656 7.641 1.00 0.87 H new ATOM 0 HB1 ALA A 18 10.771 1.593 6.039 1.00 1.09 H new ATOM 0 HB2 ALA A 18 9.126 1.551 5.361 1.00 1.09 H new ATOM 0 HB3 ALA A 18 9.809 3.087 5.945 1.00 1.09 H new ATOM 282 N GLY A 19 10.321 3.614 8.545 1.00 1.18 N ATOM 283 CA GLY A 19 11.167 4.253 9.534 1.00 1.63 C ATOM 284 C GLY A 19 12.378 4.926 8.918 1.00 1.60 C ATOM 285 O GLY A 19 13.506 4.464 9.098 1.00 2.14 O ATOM 0 H GLY A 19 9.913 4.245 7.855 1.00 1.18 H new ATOM 0 HA2 GLY A 19 10.584 4.993 10.082 1.00 1.63 H new ATOM 0 HA3 GLY A 19 11.499 3.509 10.258 1.00 1.63 H new ATOM 289 N GLU A 20 12.129 6.015 8.191 1.00 1.86 N ATOM 290 CA GLU A 20 13.182 6.812 7.558 1.00 2.28 C ATOM 291 C GLU A 20 13.924 6.014 6.486 1.00 2.06 C ATOM 292 O GLU A 20 14.941 5.373 6.752 1.00 2.51 O ATOM 293 CB GLU A 20 14.159 7.367 8.604 1.00 3.28 C ATOM 294 CG GLU A 20 13.497 8.288 9.620 1.00 4.13 C ATOM 295 CD GLU A 20 12.958 9.558 8.992 1.00 4.94 C ATOM 296 OE1 GLU A 20 11.998 9.480 8.196 1.00 5.32 O ATOM 297 OE2 GLU A 20 13.491 10.647 9.291 1.00 5.47 O ATOM 0 H GLU A 20 11.188 6.371 8.023 1.00 1.86 H new ATOM 0 HA GLU A 20 12.700 7.656 7.064 1.00 2.28 H new ATOM 0 HB2 GLU A 20 14.628 6.535 9.130 1.00 3.28 H new ATOM 0 HB3 GLU A 20 14.954 7.911 8.095 1.00 3.28 H new ATOM 0 HG2 GLU A 20 12.682 7.756 10.111 1.00 4.13 H new ATOM 0 HG3 GLU A 20 14.219 8.548 10.394 1.00 4.13 H new ATOM 304 N THR A 21 13.397 6.047 5.275 1.00 2.21 N ATOM 305 CA THR A 21 13.989 5.327 4.163 1.00 2.61 C ATOM 306 C THR A 21 15.044 6.191 3.474 1.00 2.53 C ATOM 307 O THR A 21 14.722 7.141 2.759 1.00 3.19 O ATOM 308 CB THR A 21 12.910 4.934 3.150 1.00 3.61 C ATOM 309 OG1 THR A 21 11.706 4.578 3.845 1.00 3.97 O ATOM 310 CG2 THR A 21 13.363 3.760 2.299 1.00 4.47 C ATOM 0 H THR A 21 12.554 6.569 5.036 1.00 2.21 H new ATOM 0 HA THR A 21 14.462 4.425 4.551 1.00 2.61 H new ATOM 0 HB THR A 21 12.727 5.787 2.496 1.00 3.61 H new ATOM 0 HG1 THR A 21 11.015 4.328 3.196 1.00 3.97 H new ATOM 0 HG21 THR A 21 12.578 3.502 1.588 1.00 4.47 H new ATOM 0 HG22 THR A 21 14.269 4.032 1.757 1.00 4.47 H new ATOM 0 HG23 THR A 21 13.568 2.903 2.941 1.00 4.47 H new ATOM 318 N ASP A 22 16.300 5.870 3.721 1.00 2.22 N ATOM 319 CA ASP A 22 17.409 6.657 3.200 1.00 2.50 C ATOM 320 C ASP A 22 17.868 6.113 1.855 1.00 2.35 C ATOM 321 O ASP A 22 18.355 4.985 1.769 1.00 2.83 O ATOM 322 CB ASP A 22 18.572 6.641 4.193 1.00 3.16 C ATOM 323 CG ASP A 22 19.683 7.603 3.822 1.00 3.77 C ATOM 324 OD1 ASP A 22 20.536 7.226 2.995 1.00 4.01 O ATOM 325 OD2 ASP A 22 19.699 8.740 4.335 1.00 4.40 O ATOM 0 H ASP A 22 16.582 5.066 4.282 1.00 2.22 H new ATOM 0 HA ASP A 22 17.069 7.683 3.061 1.00 2.50 H new ATOM 0 HB2 ASP A 22 18.198 6.892 5.186 1.00 3.16 H new ATOM 0 HB3 ASP A 22 18.978 5.631 4.252 1.00 3.16 H new ATOM 330 N GLY A 23 17.692 6.909 0.812 1.00 2.30 N ATOM 331 CA GLY A 23 18.148 6.520 -0.507 1.00 2.50 C ATOM 332 C GLY A 23 17.068 5.836 -1.322 1.00 2.18 C ATOM 333 O GLY A 23 17.368 5.067 -2.235 1.00 2.54 O ATOM 0 H GLY A 23 17.239 7.822 0.855 1.00 2.30 H new ATOM 0 HA2 GLY A 23 18.496 7.404 -1.042 1.00 2.50 H new ATOM 0 HA3 GLY A 23 19.002 5.850 -0.409 1.00 2.50 H new ATOM 337 N THR A 24 15.814 6.116 -0.999 1.00 1.95 N ATOM 338 CA THR A 24 14.689 5.495 -1.685 1.00 2.00 C ATOM 339 C THR A 24 13.550 6.496 -1.869 1.00 1.78 C ATOM 340 O THR A 24 12.802 6.788 -0.934 1.00 1.91 O ATOM 341 CB THR A 24 14.180 4.272 -0.901 1.00 2.29 C ATOM 342 OG1 THR A 24 15.278 3.405 -0.580 1.00 3.02 O ATOM 343 CG2 THR A 24 13.141 3.501 -1.706 1.00 2.19 C ATOM 0 H THR A 24 15.549 6.771 -0.264 1.00 1.95 H new ATOM 0 HA THR A 24 15.036 5.168 -2.665 1.00 2.00 H new ATOM 0 HB THR A 24 13.713 4.628 0.017 1.00 2.29 H new ATOM 0 HG1 THR A 24 14.947 2.630 -0.080 1.00 3.02 H new ATOM 0 HG21 THR A 24 12.798 2.642 -1.129 1.00 2.19 H new ATOM 0 HG22 THR A 24 12.295 4.152 -1.926 1.00 2.19 H new ATOM 0 HG23 THR A 24 13.586 3.157 -2.640 1.00 2.19 H new ATOM 351 N ASP A 25 13.443 7.044 -3.069 1.00 1.72 N ATOM 352 CA ASP A 25 12.402 8.020 -3.364 1.00 1.73 C ATOM 353 C ASP A 25 11.101 7.329 -3.738 1.00 1.40 C ATOM 354 O ASP A 25 11.042 6.562 -4.700 1.00 1.55 O ATOM 355 CB ASP A 25 12.825 8.955 -4.498 1.00 2.18 C ATOM 356 CG ASP A 25 11.772 10.011 -4.788 1.00 2.30 C ATOM 357 OD1 ASP A 25 10.815 9.709 -5.528 1.00 2.76 O ATOM 358 OD2 ASP A 25 11.901 11.146 -4.281 1.00 2.59 O ATOM 0 H ASP A 25 14.061 6.832 -3.853 1.00 1.72 H new ATOM 0 HA ASP A 25 12.247 8.610 -2.461 1.00 1.73 H new ATOM 0 HB2 ASP A 25 13.764 9.442 -4.235 1.00 2.18 H new ATOM 0 HB3 ASP A 25 13.010 8.371 -5.399 1.00 2.18 H new ATOM 363 N LEU A 26 10.068 7.601 -2.960 1.00 1.15 N ATOM 364 CA LEU A 26 8.733 7.106 -3.249 1.00 1.01 C ATOM 365 C LEU A 26 7.790 8.281 -3.460 1.00 1.04 C ATOM 366 O LEU A 26 6.585 8.177 -3.244 1.00 1.18 O ATOM 367 CB LEU A 26 8.227 6.226 -2.101 1.00 1.12 C ATOM 368 CG LEU A 26 9.015 4.934 -1.868 1.00 0.89 C ATOM 369 CD1 LEU A 26 8.460 4.192 -0.662 1.00 1.28 C ATOM 370 CD2 LEU A 26 8.972 4.050 -3.110 1.00 1.60 C ATOM 0 H LEU A 26 10.130 8.168 -2.114 1.00 1.15 H new ATOM 0 HA LEU A 26 8.768 6.502 -4.156 1.00 1.01 H new ATOM 0 HB2 LEU A 26 8.243 6.812 -1.182 1.00 1.12 H new ATOM 0 HB3 LEU A 26 7.186 5.967 -2.296 1.00 1.12 H new ATOM 0 HG LEU A 26 10.056 5.190 -1.669 1.00 0.89 H new ATOM 0 HD11 LEU A 26 9.028 3.275 -0.506 1.00 1.28 H new ATOM 0 HD12 LEU A 26 8.541 4.824 0.223 1.00 1.28 H new ATOM 0 HD13 LEU A 26 7.413 3.945 -0.837 1.00 1.28 H new ATOM 0 HD21 LEU A 26 9.537 3.136 -2.926 1.00 1.60 H new ATOM 0 HD22 LEU A 26 7.937 3.796 -3.340 1.00 1.60 H new ATOM 0 HD23 LEU A 26 9.411 4.585 -3.952 1.00 1.60 H new ATOM 382 N SER A 27 8.354 9.402 -3.888 1.00 1.09 N ATOM 383 CA SER A 27 7.578 10.611 -4.071 1.00 1.24 C ATOM 384 C SER A 27 7.138 10.730 -5.523 1.00 1.33 C ATOM 385 O SER A 27 6.130 11.368 -5.833 1.00 1.85 O ATOM 386 CB SER A 27 8.394 11.834 -3.646 1.00 1.39 C ATOM 387 OG SER A 27 7.559 12.955 -3.407 1.00 2.08 O ATOM 0 H SER A 27 9.344 9.495 -4.113 1.00 1.09 H new ATOM 0 HA SER A 27 6.688 10.563 -3.443 1.00 1.24 H new ATOM 0 HB2 SER A 27 8.959 11.601 -2.744 1.00 1.39 H new ATOM 0 HB3 SER A 27 9.119 12.077 -4.423 1.00 1.39 H new ATOM 0 HG SER A 27 8.108 13.720 -3.136 1.00 2.08 H new ATOM 393 N GLY A 28 7.908 10.115 -6.412 1.00 1.34 N ATOM 394 CA GLY A 28 7.535 10.078 -7.811 1.00 1.58 C ATOM 395 C GLY A 28 6.459 9.045 -8.088 1.00 1.41 C ATOM 396 O GLY A 28 5.831 8.528 -7.164 1.00 1.84 O ATOM 0 H GLY A 28 8.783 9.642 -6.188 1.00 1.34 H new ATOM 0 HA2 GLY A 28 7.180 11.062 -8.117 1.00 1.58 H new ATOM 0 HA3 GLY A 28 8.415 9.855 -8.414 1.00 1.58 H new ATOM 400 N ASP A 29 6.243 8.734 -9.356 1.00 1.35 N ATOM 401 CA ASP A 29 5.225 7.763 -9.730 1.00 1.28 C ATOM 402 C ASP A 29 5.748 6.347 -9.500 1.00 1.21 C ATOM 403 O ASP A 29 6.312 5.724 -10.396 1.00 1.84 O ATOM 404 CB ASP A 29 4.799 7.940 -11.194 1.00 1.54 C ATOM 405 CG ASP A 29 4.366 9.358 -11.520 1.00 2.18 C ATOM 406 OD1 ASP A 29 3.327 9.804 -10.977 1.00 2.77 O ATOM 407 OD2 ASP A 29 5.052 10.036 -12.312 1.00 2.64 O ATOM 0 H ASP A 29 6.755 9.137 -10.141 1.00 1.35 H new ATOM 0 HA ASP A 29 4.349 7.929 -9.104 1.00 1.28 H new ATOM 0 HB2 ASP A 29 5.628 7.661 -11.844 1.00 1.54 H new ATOM 0 HB3 ASP A 29 3.979 7.256 -11.413 1.00 1.54 H new ATOM 412 N PHE A 30 5.573 5.847 -8.286 1.00 0.72 N ATOM 413 CA PHE A 30 6.141 4.558 -7.901 1.00 0.64 C ATOM 414 C PHE A 30 5.159 3.412 -8.131 1.00 0.53 C ATOM 415 O PHE A 30 5.459 2.263 -7.818 1.00 0.50 O ATOM 416 CB PHE A 30 6.575 4.589 -6.431 1.00 0.64 C ATOM 417 CG PHE A 30 5.443 4.817 -5.461 1.00 0.57 C ATOM 418 CD1 PHE A 30 4.956 6.093 -5.227 1.00 0.76 C ATOM 419 CD2 PHE A 30 4.867 3.751 -4.787 1.00 0.70 C ATOM 420 CE1 PHE A 30 3.917 6.302 -4.338 1.00 0.92 C ATOM 421 CE2 PHE A 30 3.828 3.955 -3.897 1.00 0.87 C ATOM 422 CZ PHE A 30 3.353 5.232 -3.673 1.00 0.92 C ATOM 0 H PHE A 30 5.043 6.312 -7.549 1.00 0.72 H new ATOM 0 HA PHE A 30 7.011 4.381 -8.533 1.00 0.64 H new ATOM 0 HB2 PHE A 30 7.064 3.646 -6.187 1.00 0.64 H new ATOM 0 HB3 PHE A 30 7.317 5.376 -6.299 1.00 0.64 H new ATOM 0 HD1 PHE A 30 5.393 6.934 -5.745 1.00 0.76 H new ATOM 0 HD2 PHE A 30 5.234 2.750 -4.959 1.00 0.70 H new ATOM 0 HE1 PHE A 30 3.547 7.302 -4.164 1.00 0.92 H new ATOM 0 HE2 PHE A 30 3.389 3.116 -3.378 1.00 0.87 H new ATOM 0 HZ PHE A 30 2.542 5.393 -2.979 1.00 0.92 H new ATOM 432 N LEU A 31 3.989 3.723 -8.674 1.00 0.50 N ATOM 433 CA LEU A 31 2.951 2.716 -8.898 1.00 0.45 C ATOM 434 C LEU A 31 3.435 1.542 -9.757 1.00 0.41 C ATOM 435 O LEU A 31 2.879 0.445 -9.682 1.00 0.43 O ATOM 436 CB LEU A 31 1.711 3.343 -9.532 1.00 0.52 C ATOM 437 CG LEU A 31 0.963 4.356 -8.660 1.00 0.54 C ATOM 438 CD1 LEU A 31 -0.384 4.683 -9.269 1.00 0.78 C ATOM 439 CD2 LEU A 31 0.784 3.838 -7.244 1.00 0.43 C ATOM 0 H LEU A 31 3.732 4.665 -8.969 1.00 0.50 H new ATOM 0 HA LEU A 31 2.696 2.318 -7.916 1.00 0.45 H new ATOM 0 HB2 LEU A 31 2.008 3.836 -10.457 1.00 0.52 H new ATOM 0 HB3 LEU A 31 1.021 2.545 -9.804 1.00 0.52 H new ATOM 0 HG LEU A 31 1.563 5.265 -8.615 1.00 0.54 H new ATOM 0 HD11 LEU A 31 -0.903 5.404 -8.638 1.00 0.78 H new ATOM 0 HD12 LEU A 31 -0.241 5.108 -10.263 1.00 0.78 H new ATOM 0 HD13 LEU A 31 -0.979 3.773 -9.346 1.00 0.78 H new ATOM 0 HD21 LEU A 31 0.250 4.580 -6.650 1.00 0.43 H new ATOM 0 HD22 LEU A 31 0.212 2.910 -7.266 1.00 0.43 H new ATOM 0 HD23 LEU A 31 1.761 3.652 -6.798 1.00 0.43 H new ATOM 451 N ASP A 32 4.463 1.770 -10.569 1.00 0.41 N ATOM 452 CA ASP A 32 4.975 0.731 -11.463 1.00 0.43 C ATOM 453 C ASP A 32 6.112 -0.045 -10.820 1.00 0.42 C ATOM 454 O ASP A 32 6.533 -1.085 -11.325 1.00 0.51 O ATOM 455 CB ASP A 32 5.456 1.339 -12.781 1.00 0.56 C ATOM 456 CG ASP A 32 4.311 1.777 -13.668 1.00 1.39 C ATOM 457 OD1 ASP A 32 3.707 0.917 -14.343 1.00 1.73 O ATOM 458 OD2 ASP A 32 4.018 2.991 -13.710 1.00 2.29 O ATOM 0 H ASP A 32 4.958 2.660 -10.628 1.00 0.41 H new ATOM 0 HA ASP A 32 4.153 0.043 -11.662 1.00 0.43 H new ATOM 0 HB2 ASP A 32 6.096 2.195 -12.570 1.00 0.56 H new ATOM 0 HB3 ASP A 32 6.065 0.609 -13.314 1.00 0.56 H new ATOM 463 N LEU A 33 6.605 0.465 -9.705 1.00 0.43 N ATOM 464 CA LEU A 33 7.692 -0.180 -8.987 1.00 0.48 C ATOM 465 C LEU A 33 7.140 -1.210 -8.012 1.00 0.42 C ATOM 466 O LEU A 33 6.482 -0.859 -7.036 1.00 0.46 O ATOM 467 CB LEU A 33 8.534 0.859 -8.243 1.00 0.56 C ATOM 468 CG LEU A 33 9.180 1.930 -9.129 1.00 0.68 C ATOM 469 CD1 LEU A 33 9.906 2.963 -8.282 1.00 1.23 C ATOM 470 CD2 LEU A 33 10.134 1.296 -10.132 1.00 1.01 C ATOM 0 H LEU A 33 6.269 1.327 -9.275 1.00 0.43 H new ATOM 0 HA LEU A 33 8.331 -0.689 -9.709 1.00 0.48 H new ATOM 0 HB2 LEU A 33 7.903 1.353 -7.504 1.00 0.56 H new ATOM 0 HB3 LEU A 33 9.321 0.341 -7.695 1.00 0.56 H new ATOM 0 HG LEU A 33 8.388 2.435 -9.682 1.00 0.68 H new ATOM 0 HD11 LEU A 33 10.357 3.714 -8.931 1.00 1.23 H new ATOM 0 HD12 LEU A 33 9.197 3.444 -7.608 1.00 1.23 H new ATOM 0 HD13 LEU A 33 10.685 2.472 -7.698 1.00 1.23 H new ATOM 0 HD21 LEU A 33 10.581 2.074 -10.751 1.00 1.01 H new ATOM 0 HD22 LEU A 33 10.919 0.760 -9.599 1.00 1.01 H new ATOM 0 HD23 LEU A 33 9.585 0.599 -10.766 1.00 1.01 H new ATOM 482 N ARG A 34 7.416 -2.478 -8.276 1.00 0.40 N ATOM 483 CA ARG A 34 6.865 -3.564 -7.476 1.00 0.39 C ATOM 484 C ARG A 34 7.446 -3.544 -6.071 1.00 0.36 C ATOM 485 O ARG A 34 8.598 -3.158 -5.876 1.00 0.42 O ATOM 486 CB ARG A 34 7.172 -4.916 -8.107 1.00 0.50 C ATOM 487 CG ARG A 34 6.897 -4.992 -9.597 1.00 0.66 C ATOM 488 CD ARG A 34 7.144 -6.397 -10.111 1.00 0.80 C ATOM 489 NE ARG A 34 8.434 -6.916 -9.667 1.00 1.41 N ATOM 490 CZ ARG A 34 8.600 -8.108 -9.096 1.00 1.84 C ATOM 491 NH1 ARG A 34 7.546 -8.860 -8.787 1.00 1.72 N ATOM 492 NH2 ARG A 34 9.822 -8.528 -8.791 1.00 2.88 N ATOM 0 H ARG A 34 8.020 -2.782 -9.040 1.00 0.40 H new ATOM 0 HA ARG A 34 5.786 -3.419 -7.432 1.00 0.39 H new ATOM 0 HB2 ARG A 34 8.221 -5.155 -7.931 1.00 0.50 H new ATOM 0 HB3 ARG A 34 6.582 -5.681 -7.602 1.00 0.50 H new ATOM 0 HG2 ARG A 34 5.866 -4.701 -9.798 1.00 0.66 H new ATOM 0 HG3 ARG A 34 7.537 -4.287 -10.127 1.00 0.66 H new ATOM 0 HD2 ARG A 34 6.348 -7.056 -9.765 1.00 0.80 H new ATOM 0 HD3 ARG A 34 7.107 -6.398 -11.200 1.00 0.80 H new ATOM 0 HE ARG A 34 9.258 -6.331 -9.802 1.00 1.41 H new ATOM 0 HH11 ARG A 34 6.604 -8.525 -8.987 1.00 1.72 H new ATOM 0 HH12 ARG A 34 7.681 -9.772 -8.350 1.00 1.72 H new ATOM 0 HH21 ARG A 34 10.629 -7.939 -8.994 1.00 2.88 H new ATOM 0 HH22 ARG A 34 9.953 -9.440 -8.354 1.00 2.88 H new ATOM 506 N PHE A 35 6.644 -3.968 -5.099 1.00 0.36 N ATOM 507 CA PHE A 35 7.085 -4.038 -3.707 1.00 0.39 C ATOM 508 C PHE A 35 8.382 -4.837 -3.589 1.00 0.46 C ATOM 509 O PHE A 35 9.311 -4.426 -2.897 1.00 0.49 O ATOM 510 CB PHE A 35 5.994 -4.661 -2.830 1.00 0.45 C ATOM 511 CG PHE A 35 4.703 -3.889 -2.834 1.00 0.45 C ATOM 512 CD1 PHE A 35 4.611 -2.664 -2.193 1.00 0.49 C ATOM 513 CD2 PHE A 35 3.585 -4.387 -3.483 1.00 0.52 C ATOM 514 CE1 PHE A 35 3.428 -1.951 -2.195 1.00 0.55 C ATOM 515 CE2 PHE A 35 2.398 -3.679 -3.489 1.00 0.59 C ATOM 516 CZ PHE A 35 2.317 -2.466 -2.839 1.00 0.59 C ATOM 0 H PHE A 35 5.681 -4.270 -5.249 1.00 0.36 H new ATOM 0 HA PHE A 35 7.275 -3.023 -3.359 1.00 0.39 H new ATOM 0 HB2 PHE A 35 5.801 -5.677 -3.173 1.00 0.45 H new ATOM 0 HB3 PHE A 35 6.361 -4.734 -1.806 1.00 0.45 H new ATOM 0 HD1 PHE A 35 5.475 -2.262 -1.685 1.00 0.49 H new ATOM 0 HD2 PHE A 35 3.642 -5.339 -3.990 1.00 0.52 H new ATOM 0 HE1 PHE A 35 3.370 -0.995 -1.696 1.00 0.55 H new ATOM 0 HE2 PHE A 35 1.535 -4.076 -4.002 1.00 0.59 H new ATOM 0 HZ PHE A 35 1.386 -1.918 -2.832 1.00 0.59 H new ATOM 526 N GLU A 36 8.438 -5.958 -4.304 1.00 0.59 N ATOM 527 CA GLU A 36 9.622 -6.814 -4.336 1.00 0.76 C ATOM 528 C GLU A 36 10.882 -6.039 -4.731 1.00 0.71 C ATOM 529 O GLU A 36 11.962 -6.275 -4.193 1.00 0.80 O ATOM 530 CB GLU A 36 9.403 -7.953 -5.329 1.00 1.00 C ATOM 531 CG GLU A 36 8.349 -8.962 -4.906 1.00 1.26 C ATOM 532 CD GLU A 36 8.793 -9.803 -3.730 1.00 1.89 C ATOM 533 OE1 GLU A 36 9.874 -10.421 -3.816 1.00 2.28 O ATOM 534 OE2 GLU A 36 8.048 -9.879 -2.734 1.00 2.60 O ATOM 0 H GLU A 36 7.666 -6.298 -4.877 1.00 0.59 H new ATOM 0 HA GLU A 36 9.770 -7.207 -3.330 1.00 0.76 H new ATOM 0 HB2 GLU A 36 9.117 -7.529 -6.292 1.00 1.00 H new ATOM 0 HB3 GLU A 36 10.348 -8.475 -5.479 1.00 1.00 H new ATOM 0 HG2 GLU A 36 7.430 -8.436 -4.646 1.00 1.26 H new ATOM 0 HG3 GLU A 36 8.116 -9.614 -5.748 1.00 1.26 H new ATOM 541 N ASP A 37 10.737 -5.100 -5.655 1.00 0.65 N ATOM 542 CA ASP A 37 11.890 -4.393 -6.198 1.00 0.74 C ATOM 543 C ASP A 37 12.276 -3.214 -5.315 1.00 0.66 C ATOM 544 O ASP A 37 13.438 -2.815 -5.278 1.00 0.75 O ATOM 545 CB ASP A 37 11.609 -3.895 -7.618 1.00 0.86 C ATOM 546 CG ASP A 37 11.467 -5.021 -8.624 1.00 1.28 C ATOM 547 OD1 ASP A 37 12.429 -5.794 -8.802 1.00 1.38 O ATOM 548 OD2 ASP A 37 10.396 -5.128 -9.257 1.00 2.03 O ATOM 0 H ASP A 37 9.839 -4.811 -6.043 1.00 0.65 H new ATOM 0 HA ASP A 37 12.719 -5.100 -6.227 1.00 0.74 H new ATOM 0 HB2 ASP A 37 10.695 -3.301 -7.615 1.00 0.86 H new ATOM 0 HB3 ASP A 37 12.417 -3.235 -7.932 1.00 0.86 H new ATOM 553 N ILE A 38 11.304 -2.657 -4.604 1.00 0.54 N ATOM 554 CA ILE A 38 11.563 -1.509 -3.746 1.00 0.54 C ATOM 555 C ILE A 38 11.859 -1.930 -2.306 1.00 0.50 C ATOM 556 O ILE A 38 11.781 -1.120 -1.382 1.00 0.55 O ATOM 557 CB ILE A 38 10.406 -0.482 -3.778 1.00 0.55 C ATOM 558 CG1 ILE A 38 9.070 -1.165 -3.474 1.00 0.48 C ATOM 559 CG2 ILE A 38 10.361 0.218 -5.131 1.00 0.67 C ATOM 560 CD1 ILE A 38 7.877 -0.233 -3.507 1.00 0.57 C ATOM 0 H ILE A 38 10.336 -2.979 -4.604 1.00 0.54 H new ATOM 0 HA ILE A 38 12.452 -1.023 -4.149 1.00 0.54 H new ATOM 0 HB ILE A 38 10.584 0.268 -3.007 1.00 0.55 H new ATOM 0 HG12 ILE A 38 8.911 -1.966 -4.196 1.00 0.48 H new ATOM 0 HG13 ILE A 38 9.127 -1.629 -2.490 1.00 0.48 H new ATOM 0 HG21 ILE A 38 9.543 0.938 -5.141 1.00 0.67 H new ATOM 0 HG22 ILE A 38 11.304 0.737 -5.303 1.00 0.67 H new ATOM 0 HG23 ILE A 38 10.204 -0.520 -5.918 1.00 0.67 H new ATOM 0 HD11 ILE A 38 6.970 -0.794 -3.281 1.00 0.57 H new ATOM 0 HD12 ILE A 38 8.010 0.555 -2.765 1.00 0.57 H new ATOM 0 HD13 ILE A 38 7.791 0.213 -4.498 1.00 0.57 H new ATOM 572 N GLY A 39 12.215 -3.197 -2.126 1.00 0.53 N ATOM 573 CA GLY A 39 12.689 -3.668 -0.836 1.00 0.58 C ATOM 574 C GLY A 39 11.578 -4.015 0.136 1.00 0.51 C ATOM 575 O GLY A 39 11.843 -4.435 1.264 1.00 0.62 O ATOM 0 H GLY A 39 12.184 -3.911 -2.854 1.00 0.53 H new ATOM 0 HA2 GLY A 39 13.314 -4.548 -0.988 1.00 0.58 H new ATOM 0 HA3 GLY A 39 13.322 -2.901 -0.390 1.00 0.58 H new ATOM 579 N TYR A 40 10.334 -3.849 -0.286 1.00 0.47 N ATOM 580 CA TYR A 40 9.205 -4.160 0.573 1.00 0.47 C ATOM 581 C TYR A 40 8.786 -5.608 0.410 1.00 0.55 C ATOM 582 O TYR A 40 8.076 -5.960 -0.529 1.00 0.71 O ATOM 583 CB TYR A 40 8.029 -3.219 0.305 1.00 0.47 C ATOM 584 CG TYR A 40 8.246 -1.837 0.877 1.00 0.46 C ATOM 585 CD1 TYR A 40 8.115 -1.610 2.240 1.00 0.49 C ATOM 586 CD2 TYR A 40 8.598 -0.770 0.063 1.00 0.48 C ATOM 587 CE1 TYR A 40 8.328 -0.358 2.777 1.00 0.53 C ATOM 588 CE2 TYR A 40 8.815 0.487 0.592 1.00 0.52 C ATOM 589 CZ TYR A 40 8.678 0.690 1.950 1.00 0.53 C ATOM 590 OH TYR A 40 8.896 1.941 2.478 1.00 0.61 O ATOM 0 H TYR A 40 10.083 -3.503 -1.212 1.00 0.47 H new ATOM 0 HA TYR A 40 9.521 -4.011 1.605 1.00 0.47 H new ATOM 0 HB2 TYR A 40 7.869 -3.142 -0.770 1.00 0.47 H new ATOM 0 HB3 TYR A 40 7.122 -3.647 0.733 1.00 0.47 H new ATOM 0 HD1 TYR A 40 7.842 -2.428 2.891 1.00 0.49 H new ATOM 0 HD2 TYR A 40 8.704 -0.925 -1.001 1.00 0.48 H new ATOM 0 HE1 TYR A 40 8.221 -0.198 3.840 1.00 0.53 H new ATOM 0 HE2 TYR A 40 9.091 1.307 -0.054 1.00 0.52 H new ATOM 0 HH TYR A 40 9.135 2.562 1.759 1.00 0.61 H new ATOM 600 N ASP A 41 9.240 -6.440 1.334 1.00 0.58 N ATOM 601 CA ASP A 41 8.962 -7.867 1.283 1.00 0.71 C ATOM 602 C ASP A 41 7.603 -8.156 1.896 1.00 0.66 C ATOM 603 O ASP A 41 6.929 -7.248 2.387 1.00 0.93 O ATOM 604 CB ASP A 41 10.041 -8.658 2.028 1.00 0.89 C ATOM 605 CG ASP A 41 9.950 -8.503 3.534 1.00 1.40 C ATOM 606 OD1 ASP A 41 10.313 -7.423 4.049 1.00 1.93 O ATOM 607 OD2 ASP A 41 9.516 -9.461 4.203 1.00 1.82 O ATOM 0 H ASP A 41 9.805 -6.150 2.132 1.00 0.58 H new ATOM 0 HA ASP A 41 8.961 -8.177 0.238 1.00 0.71 H new ATOM 0 HB2 ASP A 41 9.954 -9.714 1.770 1.00 0.89 H new ATOM 0 HB3 ASP A 41 11.024 -8.328 1.692 1.00 0.89 H new ATOM 612 N SER A 42 7.227 -9.424 1.881 1.00 0.63 N ATOM 613 CA SER A 42 5.952 -9.872 2.420 1.00 0.63 C ATOM 614 C SER A 42 5.724 -9.359 3.847 1.00 0.54 C ATOM 615 O SER A 42 4.650 -8.851 4.167 1.00 0.50 O ATOM 616 CB SER A 42 5.906 -11.396 2.404 1.00 0.77 C ATOM 617 OG SER A 42 7.108 -11.926 3.043 1.00 0.91 O ATOM 0 H SER A 42 7.799 -10.175 1.494 1.00 0.63 H new ATOM 0 HA SER A 42 5.158 -9.465 1.794 1.00 0.63 H new ATOM 0 HB2 SER A 42 5.017 -11.749 2.927 1.00 0.77 H new ATOM 0 HB3 SER A 42 5.837 -11.758 1.378 1.00 0.77 H new ATOM 622 N LEU A 43 6.752 -9.468 4.690 1.00 0.57 N ATOM 623 CA LEU A 43 6.639 -9.064 6.084 1.00 0.57 C ATOM 624 C LEU A 43 6.451 -7.556 6.194 1.00 0.48 C ATOM 625 O LEU A 43 5.550 -7.088 6.880 1.00 0.49 O ATOM 626 CB LEU A 43 7.876 -9.505 6.875 1.00 0.68 C ATOM 627 CG LEU A 43 7.826 -9.216 8.379 1.00 0.78 C ATOM 628 CD1 LEU A 43 6.667 -9.953 9.032 1.00 0.90 C ATOM 629 CD2 LEU A 43 9.140 -9.605 9.037 1.00 1.32 C ATOM 0 H LEU A 43 7.668 -9.832 4.429 1.00 0.57 H new ATOM 0 HA LEU A 43 5.763 -9.553 6.509 1.00 0.57 H new ATOM 0 HB2 LEU A 43 8.016 -10.576 6.732 1.00 0.68 H new ATOM 0 HB3 LEU A 43 8.752 -9.010 6.455 1.00 0.68 H new ATOM 0 HG LEU A 43 7.671 -8.146 8.516 1.00 0.78 H new ATOM 0 HD11 LEU A 43 6.651 -9.733 10.099 1.00 0.90 H new ATOM 0 HD12 LEU A 43 5.729 -9.629 8.581 1.00 0.90 H new ATOM 0 HD13 LEU A 43 6.789 -11.026 8.884 1.00 0.90 H new ATOM 0 HD21 LEU A 43 9.089 -9.394 10.105 1.00 1.32 H new ATOM 0 HD22 LEU A 43 9.322 -10.669 8.886 1.00 1.32 H new ATOM 0 HD23 LEU A 43 9.953 -9.032 8.592 1.00 1.32 H new ATOM 641 N ALA A 44 7.285 -6.796 5.496 1.00 0.44 N ATOM 642 CA ALA A 44 7.198 -5.340 5.538 1.00 0.41 C ATOM 643 C ALA A 44 5.868 -4.862 4.961 1.00 0.34 C ATOM 644 O ALA A 44 5.288 -3.874 5.419 1.00 0.36 O ATOM 645 CB ALA A 44 8.363 -4.707 4.788 1.00 0.47 C ATOM 0 H ALA A 44 8.026 -7.160 4.897 1.00 0.44 H new ATOM 0 HA ALA A 44 7.252 -5.028 6.581 1.00 0.41 H new ATOM 0 HB1 ALA A 44 8.277 -3.621 4.832 1.00 0.47 H new ATOM 0 HB2 ALA A 44 9.302 -5.016 5.247 1.00 0.47 H new ATOM 0 HB3 ALA A 44 8.344 -5.030 3.747 1.00 0.47 H new ATOM 651 N LEU A 45 5.380 -5.580 3.962 1.00 0.35 N ATOM 652 CA LEU A 45 4.125 -5.243 3.316 1.00 0.35 C ATOM 653 C LEU A 45 2.940 -5.479 4.256 1.00 0.34 C ATOM 654 O LEU A 45 2.075 -4.616 4.398 1.00 0.36 O ATOM 655 CB LEU A 45 3.961 -6.068 2.037 1.00 0.43 C ATOM 656 CG LEU A 45 2.737 -5.725 1.187 1.00 0.48 C ATOM 657 CD1 LEU A 45 2.809 -4.287 0.695 1.00 0.75 C ATOM 658 CD2 LEU A 45 2.619 -6.688 0.018 1.00 0.74 C ATOM 0 H LEU A 45 5.840 -6.406 3.580 1.00 0.35 H new ATOM 0 HA LEU A 45 4.144 -4.184 3.060 1.00 0.35 H new ATOM 0 HB2 LEU A 45 4.854 -5.940 1.425 1.00 0.43 H new ATOM 0 HB3 LEU A 45 3.909 -7.122 2.309 1.00 0.43 H new ATOM 0 HG LEU A 45 1.847 -5.825 1.808 1.00 0.48 H new ATOM 0 HD11 LEU A 45 1.929 -4.064 0.092 1.00 0.75 H new ATOM 0 HD12 LEU A 45 2.844 -3.611 1.550 1.00 0.75 H new ATOM 0 HD13 LEU A 45 3.706 -4.154 0.090 1.00 0.75 H new ATOM 0 HD21 LEU A 45 1.743 -6.431 -0.578 1.00 0.74 H new ATOM 0 HD22 LEU A 45 3.513 -6.619 -0.602 1.00 0.74 H new ATOM 0 HD23 LEU A 45 2.516 -7.706 0.394 1.00 0.74 H new ATOM 670 N MET A 46 2.920 -6.638 4.912 1.00 0.36 N ATOM 671 CA MET A 46 1.814 -7.002 5.798 1.00 0.40 C ATOM 672 C MET A 46 1.764 -6.078 7.018 1.00 0.37 C ATOM 673 O MET A 46 0.689 -5.786 7.537 1.00 0.41 O ATOM 674 CB MET A 46 1.908 -8.480 6.218 1.00 0.49 C ATOM 675 CG MET A 46 3.044 -8.802 7.176 1.00 0.52 C ATOM 676 SD MET A 46 2.574 -8.631 8.907 1.00 1.21 S ATOM 677 CE MET A 46 1.224 -9.803 9.012 1.00 1.26 C ATOM 0 H MET A 46 3.656 -7.341 4.847 1.00 0.36 H new ATOM 0 HA MET A 46 0.882 -6.874 5.247 1.00 0.40 H new ATOM 0 HB2 MET A 46 0.966 -8.771 6.683 1.00 0.49 H new ATOM 0 HB3 MET A 46 2.023 -9.091 5.322 1.00 0.49 H new ATOM 0 HG2 MET A 46 3.385 -9.822 6.997 1.00 0.52 H new ATOM 0 HG3 MET A 46 3.886 -8.143 6.967 1.00 0.52 H new ATOM 0 HE1 MET A 46 1.198 -10.239 10.011 1.00 1.26 H new ATOM 0 HE2 MET A 46 0.282 -9.292 8.815 1.00 1.26 H new ATOM 0 HE3 MET A 46 1.370 -10.593 8.275 1.00 1.26 H new ATOM 687 N GLU A 47 2.931 -5.608 7.451 1.00 0.37 N ATOM 688 CA GLU A 47 3.012 -4.624 8.529 1.00 0.42 C ATOM 689 C GLU A 47 2.313 -3.333 8.112 1.00 0.41 C ATOM 690 O GLU A 47 1.522 -2.757 8.859 1.00 0.47 O ATOM 691 CB GLU A 47 4.479 -4.323 8.846 1.00 0.48 C ATOM 692 CG GLU A 47 5.260 -5.495 9.426 1.00 0.62 C ATOM 693 CD GLU A 47 5.037 -5.698 10.910 1.00 1.21 C ATOM 694 OE1 GLU A 47 4.307 -4.882 11.517 1.00 1.18 O ATOM 695 OE2 GLU A 47 5.554 -6.684 11.471 1.00 2.20 O ATOM 0 H GLU A 47 3.834 -5.892 7.072 1.00 0.37 H new ATOM 0 HA GLU A 47 2.522 -5.031 9.414 1.00 0.42 H new ATOM 0 HB2 GLU A 47 4.973 -3.992 7.933 1.00 0.48 H new ATOM 0 HB3 GLU A 47 4.521 -3.492 9.550 1.00 0.48 H new ATOM 0 HG2 GLU A 47 4.978 -6.406 8.897 1.00 0.62 H new ATOM 0 HG3 GLU A 47 6.323 -5.337 9.245 1.00 0.62 H new ATOM 702 N THR A 48 2.615 -2.896 6.896 1.00 0.37 N ATOM 703 CA THR A 48 2.070 -1.666 6.347 1.00 0.42 C ATOM 704 C THR A 48 0.550 -1.755 6.129 1.00 0.40 C ATOM 705 O THR A 48 -0.130 -0.734 6.037 1.00 0.43 O ATOM 706 CB THR A 48 2.781 -1.305 5.025 1.00 0.45 C ATOM 707 OG1 THR A 48 4.203 -1.348 5.218 1.00 0.47 O ATOM 708 CG2 THR A 48 2.375 0.077 4.541 1.00 0.54 C ATOM 0 H THR A 48 3.246 -3.387 6.263 1.00 0.37 H new ATOM 0 HA THR A 48 2.250 -0.877 7.077 1.00 0.42 H new ATOM 0 HB THR A 48 2.485 -2.032 4.268 1.00 0.45 H new ATOM 0 HG1 THR A 48 4.501 -2.281 5.248 1.00 0.47 H new ATOM 0 HG21 THR A 48 2.892 0.302 3.608 1.00 0.54 H new ATOM 0 HG22 THR A 48 1.298 0.102 4.374 1.00 0.54 H new ATOM 0 HG23 THR A 48 2.643 0.819 5.293 1.00 0.54 H new ATOM 716 N ALA A 49 0.017 -2.975 6.064 1.00 0.40 N ATOM 717 CA ALA A 49 -1.417 -3.181 5.856 1.00 0.39 C ATOM 718 C ALA A 49 -2.240 -2.489 6.938 1.00 0.34 C ATOM 719 O ALA A 49 -3.260 -1.853 6.654 1.00 0.33 O ATOM 720 CB ALA A 49 -1.748 -4.667 5.819 1.00 0.46 C ATOM 0 H ALA A 49 0.557 -3.836 6.152 1.00 0.40 H new ATOM 0 HA ALA A 49 -1.676 -2.738 4.895 1.00 0.39 H new ATOM 0 HB1 ALA A 49 -2.819 -4.797 5.664 1.00 0.46 H new ATOM 0 HB2 ALA A 49 -1.202 -5.141 5.003 1.00 0.46 H new ATOM 0 HB3 ALA A 49 -1.460 -5.128 6.764 1.00 0.46 H new ATOM 726 N ALA A 50 -1.765 -2.592 8.177 1.00 0.37 N ATOM 727 CA ALA A 50 -2.469 -2.040 9.329 1.00 0.40 C ATOM 728 C ALA A 50 -2.612 -0.533 9.203 1.00 0.39 C ATOM 729 O ALA A 50 -3.583 0.057 9.682 1.00 0.44 O ATOM 730 CB ALA A 50 -1.731 -2.392 10.611 1.00 0.49 C ATOM 0 H ALA A 50 -0.887 -3.057 8.409 1.00 0.37 H new ATOM 0 HA ALA A 50 -3.467 -2.477 9.363 1.00 0.40 H new ATOM 0 HB1 ALA A 50 -2.265 -1.975 11.465 1.00 0.49 H new ATOM 0 HB2 ALA A 50 -1.675 -3.476 10.712 1.00 0.49 H new ATOM 0 HB3 ALA A 50 -0.723 -1.978 10.576 1.00 0.49 H new ATOM 736 N ARG A 51 -1.643 0.072 8.528 1.00 0.37 N ATOM 737 CA ARG A 51 -1.588 1.516 8.373 1.00 0.44 C ATOM 738 C ARG A 51 -2.804 2.026 7.610 1.00 0.40 C ATOM 739 O ARG A 51 -3.368 3.065 7.937 1.00 0.52 O ATOM 740 CB ARG A 51 -0.311 1.918 7.629 1.00 0.52 C ATOM 741 CG ARG A 51 0.969 1.417 8.280 1.00 0.68 C ATOM 742 CD ARG A 51 1.169 2.017 9.661 1.00 0.95 C ATOM 743 NE ARG A 51 2.393 1.539 10.296 1.00 1.47 N ATOM 744 CZ ARG A 51 2.661 1.678 11.593 1.00 1.90 C ATOM 745 NH1 ARG A 51 1.794 2.287 12.394 1.00 1.94 N ATOM 746 NH2 ARG A 51 3.797 1.216 12.088 1.00 2.86 N ATOM 0 H ARG A 51 -0.876 -0.425 8.075 1.00 0.37 H new ATOM 0 HA ARG A 51 -1.585 1.964 9.367 1.00 0.44 H new ATOM 0 HB2 ARG A 51 -0.361 1.536 6.609 1.00 0.52 H new ATOM 0 HB3 ARG A 51 -0.270 3.005 7.560 1.00 0.52 H new ATOM 0 HG2 ARG A 51 0.937 0.330 8.357 1.00 0.68 H new ATOM 0 HG3 ARG A 51 1.821 1.667 7.648 1.00 0.68 H new ATOM 0 HD2 ARG A 51 1.203 3.104 9.582 1.00 0.95 H new ATOM 0 HD3 ARG A 51 0.314 1.769 10.290 1.00 0.95 H new ATOM 0 HE ARG A 51 3.085 1.070 9.711 1.00 1.47 H new ATOM 0 HH11 ARG A 51 0.919 2.650 12.016 1.00 1.94 H new ATOM 0 HH12 ARG A 51 2.003 2.391 13.387 1.00 1.94 H new ATOM 0 HH21 ARG A 51 4.469 0.753 11.476 1.00 2.86 H new ATOM 0 HH22 ARG A 51 4.001 1.323 13.082 1.00 2.86 H new ATOM 760 N LEU A 52 -3.215 1.273 6.597 1.00 0.32 N ATOM 761 CA LEU A 52 -4.314 1.688 5.735 1.00 0.31 C ATOM 762 C LEU A 52 -5.667 1.336 6.352 1.00 0.27 C ATOM 763 O LEU A 52 -6.579 2.166 6.387 1.00 0.30 O ATOM 764 CB LEU A 52 -4.179 1.036 4.356 1.00 0.35 C ATOM 765 CG LEU A 52 -2.849 1.299 3.644 1.00 0.46 C ATOM 766 CD1 LEU A 52 -2.806 0.565 2.314 1.00 0.56 C ATOM 767 CD2 LEU A 52 -2.633 2.791 3.428 1.00 0.56 C ATOM 0 H LEU A 52 -2.804 0.372 6.353 1.00 0.32 H new ATOM 0 HA LEU A 52 -4.265 2.771 5.626 1.00 0.31 H new ATOM 0 HB2 LEU A 52 -4.309 -0.041 4.465 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -4.990 1.392 3.721 1.00 0.35 H new ATOM 0 HG LEU A 52 -2.046 0.925 4.279 1.00 0.46 H new ATOM 0 HD11 LEU A 52 -1.854 0.762 1.820 1.00 0.56 H new ATOM 0 HD12 LEU A 52 -2.911 -0.506 2.486 1.00 0.56 H new ATOM 0 HD13 LEU A 52 -3.622 0.912 1.680 1.00 0.56 H new ATOM 0 HD21 LEU A 52 -1.682 2.951 2.921 1.00 0.56 H new ATOM 0 HD22 LEU A 52 -3.442 3.191 2.817 1.00 0.56 H new ATOM 0 HD23 LEU A 52 -2.620 3.300 4.392 1.00 0.56 H new ATOM 779 N GLU A 53 -5.787 0.110 6.849 1.00 0.25 N ATOM 780 CA GLU A 53 -7.045 -0.370 7.416 1.00 0.26 C ATOM 781 C GLU A 53 -7.524 0.522 8.556 1.00 0.30 C ATOM 782 O GLU A 53 -8.651 1.016 8.532 1.00 0.36 O ATOM 783 CB GLU A 53 -6.900 -1.807 7.909 1.00 0.27 C ATOM 784 CG GLU A 53 -6.674 -2.812 6.795 1.00 0.32 C ATOM 785 CD GLU A 53 -6.557 -4.232 7.315 1.00 0.41 C ATOM 786 OE1 GLU A 53 -5.592 -4.520 8.058 1.00 0.51 O ATOM 787 OE2 GLU A 53 -7.441 -5.057 6.998 1.00 0.48 O ATOM 0 H GLU A 53 -5.028 -0.571 6.871 1.00 0.25 H new ATOM 0 HA GLU A 53 -7.791 -0.337 6.622 1.00 0.26 H new ATOM 0 HB2 GLU A 53 -6.066 -1.860 8.609 1.00 0.27 H new ATOM 0 HB3 GLU A 53 -7.798 -2.085 8.461 1.00 0.27 H new ATOM 0 HG2 GLU A 53 -7.498 -2.755 6.084 1.00 0.32 H new ATOM 0 HG3 GLU A 53 -5.766 -2.551 6.252 1.00 0.32 H new ATOM 794 N SER A 54 -6.659 0.751 9.536 1.00 0.36 N ATOM 795 CA SER A 54 -7.014 1.562 10.696 1.00 0.46 C ATOM 796 C SER A 54 -7.296 3.008 10.292 1.00 0.43 C ATOM 797 O SER A 54 -8.186 3.656 10.847 1.00 0.53 O ATOM 798 CB SER A 54 -5.889 1.518 11.739 1.00 0.59 C ATOM 799 OG SER A 54 -6.178 2.357 12.847 1.00 1.42 O ATOM 0 H SER A 54 -5.706 0.387 9.552 1.00 0.36 H new ATOM 0 HA SER A 54 -7.923 1.146 11.132 1.00 0.46 H new ATOM 0 HB2 SER A 54 -5.749 0.493 12.083 1.00 0.59 H new ATOM 0 HB3 SER A 54 -4.952 1.830 11.279 1.00 0.59 H new ATOM 0 HG SER A 54 -5.445 2.307 13.495 1.00 1.42 H new ATOM 805 N ARG A 55 -6.552 3.494 9.305 1.00 0.37 N ATOM 806 CA ARG A 55 -6.606 4.897 8.906 1.00 0.40 C ATOM 807 C ARG A 55 -7.983 5.269 8.358 1.00 0.40 C ATOM 808 O ARG A 55 -8.593 6.243 8.796 1.00 0.47 O ATOM 809 CB ARG A 55 -5.538 5.164 7.847 1.00 0.47 C ATOM 810 CG ARG A 55 -5.099 6.611 7.747 1.00 0.66 C ATOM 811 CD ARG A 55 -3.979 6.754 6.737 1.00 0.87 C ATOM 812 NE ARG A 55 -3.419 8.102 6.708 1.00 1.14 N ATOM 813 CZ ARG A 55 -2.662 8.565 5.715 1.00 1.64 C ATOM 814 NH1 ARG A 55 -2.407 7.800 4.659 1.00 1.89 N ATOM 815 NH2 ARG A 55 -2.160 9.794 5.771 1.00 2.42 N ATOM 0 H ARG A 55 -5.898 2.931 8.761 1.00 0.37 H new ATOM 0 HA ARG A 55 -6.419 5.511 9.787 1.00 0.40 H new ATOM 0 HB2 ARG A 55 -4.666 4.547 8.065 1.00 0.47 H new ATOM 0 HB3 ARG A 55 -5.919 4.845 6.877 1.00 0.47 H new ATOM 0 HG2 ARG A 55 -5.944 7.235 7.454 1.00 0.66 H new ATOM 0 HG3 ARG A 55 -4.765 6.965 8.722 1.00 0.66 H new ATOM 0 HD2 ARG A 55 -3.189 6.041 6.973 1.00 0.87 H new ATOM 0 HD3 ARG A 55 -4.354 6.499 5.746 1.00 0.87 H new ATOM 0 HE ARG A 55 -3.619 8.724 7.492 1.00 1.14 H new ATOM 0 HH11 ARG A 55 -2.791 6.857 4.608 1.00 1.89 H new ATOM 0 HH12 ARG A 55 -1.827 8.156 3.899 1.00 1.89 H new ATOM 0 HH21 ARG A 55 -2.354 10.388 6.577 1.00 2.42 H new ATOM 0 HH22 ARG A 55 -1.581 10.144 5.008 1.00 2.42 H new ATOM 829 N TYR A 56 -8.471 4.489 7.403 1.00 0.38 N ATOM 830 CA TYR A 56 -9.727 4.815 6.729 1.00 0.46 C ATOM 831 C TYR A 56 -10.898 4.040 7.318 1.00 0.51 C ATOM 832 O TYR A 56 -12.058 4.378 7.076 1.00 0.71 O ATOM 833 CB TYR A 56 -9.608 4.526 5.232 1.00 0.52 C ATOM 834 CG TYR A 56 -8.411 5.196 4.600 1.00 0.59 C ATOM 835 CD1 TYR A 56 -8.489 6.506 4.147 1.00 0.70 C ATOM 836 CD2 TYR A 56 -7.211 4.515 4.437 1.00 0.66 C ATOM 837 CE1 TYR A 56 -7.408 7.118 3.551 1.00 0.85 C ATOM 838 CE2 TYR A 56 -6.125 5.121 3.839 1.00 0.81 C ATOM 839 CZ TYR A 56 -6.194 6.432 3.474 1.00 0.91 C ATOM 840 OH TYR A 56 -5.159 7.034 2.799 1.00 1.08 O ATOM 0 H TYR A 56 -8.023 3.632 7.077 1.00 0.38 H new ATOM 0 HA TYR A 56 -9.920 5.877 6.880 1.00 0.46 H new ATOM 0 HB2 TYR A 56 -9.539 3.449 5.079 1.00 0.52 H new ATOM 0 HB3 TYR A 56 -10.515 4.862 4.729 1.00 0.52 H new ATOM 0 HD1 TYR A 56 -9.412 7.054 4.264 1.00 0.70 H new ATOM 0 HD2 TYR A 56 -7.127 3.496 4.784 1.00 0.66 H new ATOM 0 HE1 TYR A 56 -7.498 8.116 3.148 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -5.221 4.557 3.661 1.00 0.81 H new ATOM 0 HH TYR A 56 -4.627 7.568 3.425 1.00 1.08 H new ATOM 850 N GLY A 57 -10.595 3.005 8.092 1.00 0.41 N ATOM 851 CA GLY A 57 -11.638 2.179 8.670 1.00 0.46 C ATOM 852 C GLY A 57 -12.067 1.070 7.731 1.00 0.43 C ATOM 853 O GLY A 57 -13.240 0.693 7.692 1.00 0.58 O ATOM 0 H GLY A 57 -9.644 2.723 8.330 1.00 0.41 H new ATOM 0 HA2 GLY A 57 -11.282 1.746 9.604 1.00 0.46 H new ATOM 0 HA3 GLY A 57 -12.499 2.801 8.915 1.00 0.46 H new ATOM 857 N VAL A 58 -11.109 0.551 6.977 1.00 0.32 N ATOM 858 CA VAL A 58 -11.376 -0.507 6.011 1.00 0.33 C ATOM 859 C VAL A 58 -10.836 -1.842 6.511 1.00 0.33 C ATOM 860 O VAL A 58 -10.450 -1.968 7.675 1.00 0.34 O ATOM 861 CB VAL A 58 -10.751 -0.199 4.628 1.00 0.35 C ATOM 862 CG1 VAL A 58 -11.307 1.091 4.061 1.00 0.45 C ATOM 863 CG2 VAL A 58 -9.232 -0.120 4.719 1.00 0.30 C ATOM 0 H VAL A 58 -10.134 0.847 7.016 1.00 0.32 H new ATOM 0 HA VAL A 58 -12.459 -0.564 5.898 1.00 0.33 H new ATOM 0 HB VAL A 58 -11.014 -1.017 3.957 1.00 0.35 H new ATOM 0 HG11 VAL A 58 -10.853 1.287 3.089 1.00 0.45 H new ATOM 0 HG12 VAL A 58 -12.387 1.002 3.946 1.00 0.45 H new ATOM 0 HG13 VAL A 58 -11.081 1.914 4.739 1.00 0.45 H new ATOM 0 HG21 VAL A 58 -8.819 0.097 3.734 1.00 0.30 H new ATOM 0 HG22 VAL A 58 -8.950 0.671 5.413 1.00 0.30 H new ATOM 0 HG23 VAL A 58 -8.839 -1.072 5.075 1.00 0.30 H new ATOM 873 N SER A 59 -10.825 -2.829 5.631 1.00 0.39 N ATOM 874 CA SER A 59 -10.202 -4.108 5.912 1.00 0.49 C ATOM 875 C SER A 59 -9.855 -4.793 4.598 1.00 0.48 C ATOM 876 O SER A 59 -10.651 -4.787 3.654 1.00 0.51 O ATOM 877 CB SER A 59 -11.128 -4.990 6.750 1.00 0.65 C ATOM 878 OG SER A 59 -10.432 -6.101 7.286 1.00 1.62 O ATOM 0 H SER A 59 -11.247 -2.765 4.705 1.00 0.39 H new ATOM 0 HA SER A 59 -9.290 -3.944 6.487 1.00 0.49 H new ATOM 0 HB2 SER A 59 -11.559 -4.402 7.561 1.00 0.65 H new ATOM 0 HB3 SER A 59 -11.957 -5.340 6.134 1.00 0.65 H new ATOM 0 HG SER A 59 -9.468 -5.925 7.263 1.00 1.62 H new ATOM 884 N ILE A 60 -8.664 -5.351 4.526 1.00 0.46 N ATOM 885 CA ILE A 60 -8.195 -5.979 3.304 1.00 0.46 C ATOM 886 C ILE A 60 -8.442 -7.484 3.352 1.00 0.54 C ATOM 887 O ILE A 60 -7.986 -8.162 4.272 1.00 0.60 O ATOM 888 CB ILE A 60 -6.695 -5.702 3.078 1.00 0.44 C ATOM 889 CG1 ILE A 60 -6.417 -4.200 3.195 1.00 0.40 C ATOM 890 CG2 ILE A 60 -6.259 -6.218 1.714 1.00 0.46 C ATOM 891 CD1 ILE A 60 -4.951 -3.839 3.099 1.00 0.45 C ATOM 0 H ILE A 60 -8.001 -5.383 5.300 1.00 0.46 H new ATOM 0 HA ILE A 60 -8.754 -5.551 2.472 1.00 0.46 H new ATOM 0 HB ILE A 60 -6.122 -6.226 3.842 1.00 0.44 H new ATOM 0 HG12 ILE A 60 -6.962 -3.677 2.409 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -6.808 -3.841 4.147 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -5.198 -6.015 1.570 1.00 0.46 H new ATOM 0 HG22 ILE A 60 -6.433 -7.293 1.659 1.00 0.46 H new ATOM 0 HG23 ILE A 60 -6.833 -5.717 0.935 1.00 0.46 H new ATOM 0 HD11 ILE A 60 -4.835 -2.759 3.191 1.00 0.45 H new ATOM 0 HD12 ILE A 60 -4.402 -4.332 3.901 1.00 0.45 H new ATOM 0 HD13 ILE A 60 -4.558 -4.166 2.136 1.00 0.45 H new ATOM 903 N PRO A 61 -9.194 -8.017 2.371 1.00 0.59 N ATOM 904 CA PRO A 61 -9.482 -9.454 2.279 1.00 0.69 C ATOM 905 C PRO A 61 -8.213 -10.298 2.352 1.00 0.62 C ATOM 906 O PRO A 61 -7.237 -10.024 1.654 1.00 0.57 O ATOM 907 CB PRO A 61 -10.142 -9.595 0.907 1.00 0.81 C ATOM 908 CG PRO A 61 -10.751 -8.263 0.644 1.00 0.79 C ATOM 909 CD PRO A 61 -9.834 -7.255 1.282 1.00 0.62 C ATOM 0 HA PRO A 61 -10.106 -9.803 3.102 1.00 0.69 H new ATOM 0 HB2 PRO A 61 -9.412 -9.855 0.141 1.00 0.81 H new ATOM 0 HB3 PRO A 61 -10.896 -10.382 0.909 1.00 0.81 H new ATOM 0 HG2 PRO A 61 -10.846 -8.082 -0.427 1.00 0.79 H new ATOM 0 HG3 PRO A 61 -11.753 -8.202 1.068 1.00 0.79 H new ATOM 0 HD2 PRO A 61 -9.099 -6.874 0.572 1.00 0.62 H new ATOM 0 HD3 PRO A 61 -10.385 -6.395 1.663 1.00 0.62 H new ATOM 917 N ASP A 62 -8.256 -11.338 3.178 1.00 0.76 N ATOM 918 CA ASP A 62 -7.076 -12.140 3.512 1.00 0.82 C ATOM 919 C ASP A 62 -6.390 -12.686 2.266 1.00 0.67 C ATOM 920 O ASP A 62 -5.181 -12.536 2.094 1.00 0.77 O ATOM 921 CB ASP A 62 -7.474 -13.318 4.407 1.00 1.11 C ATOM 922 CG ASP A 62 -8.394 -12.916 5.536 1.00 1.39 C ATOM 923 OD1 ASP A 62 -9.601 -12.723 5.278 1.00 1.99 O ATOM 924 OD2 ASP A 62 -7.929 -12.819 6.687 1.00 1.96 O ATOM 0 H ASP A 62 -9.111 -11.652 3.638 1.00 0.76 H new ATOM 0 HA ASP A 62 -6.380 -11.484 4.034 1.00 0.82 H new ATOM 0 HB2 ASP A 62 -7.964 -14.079 3.800 1.00 1.11 H new ATOM 0 HB3 ASP A 62 -6.574 -13.772 4.823 1.00 1.11 H new ATOM 929 N ASP A 63 -7.169 -13.306 1.394 1.00 0.66 N ATOM 930 CA ASP A 63 -6.617 -13.980 0.223 1.00 0.71 C ATOM 931 C ASP A 63 -6.273 -12.984 -0.884 1.00 0.58 C ATOM 932 O ASP A 63 -5.249 -13.112 -1.554 1.00 0.62 O ATOM 933 CB ASP A 63 -7.615 -15.019 -0.291 1.00 0.96 C ATOM 934 CG ASP A 63 -7.063 -15.850 -1.431 1.00 1.67 C ATOM 935 OD1 ASP A 63 -6.224 -16.740 -1.164 1.00 2.03 O ATOM 936 OD2 ASP A 63 -7.469 -15.623 -2.588 1.00 2.44 O ATOM 0 H ASP A 63 -8.185 -13.358 1.472 1.00 0.66 H new ATOM 0 HA ASP A 63 -5.694 -14.478 0.519 1.00 0.71 H new ATOM 0 HB2 ASP A 63 -7.900 -15.679 0.529 1.00 0.96 H new ATOM 0 HB3 ASP A 63 -8.521 -14.512 -0.622 1.00 0.96 H new ATOM 941 N VAL A 64 -7.116 -11.970 -1.044 1.00 0.57 N ATOM 942 CA VAL A 64 -6.942 -10.981 -2.108 1.00 0.58 C ATOM 943 C VAL A 64 -5.762 -10.053 -1.810 1.00 0.53 C ATOM 944 O VAL A 64 -5.164 -9.474 -2.717 1.00 0.59 O ATOM 945 CB VAL A 64 -8.229 -10.143 -2.312 1.00 0.73 C ATOM 946 CG1 VAL A 64 -8.090 -9.182 -3.487 1.00 1.10 C ATOM 947 CG2 VAL A 64 -9.426 -11.057 -2.510 1.00 1.14 C ATOM 0 H VAL A 64 -7.929 -11.809 -0.450 1.00 0.57 H new ATOM 0 HA VAL A 64 -6.734 -11.529 -3.027 1.00 0.58 H new ATOM 0 HB VAL A 64 -8.385 -9.545 -1.414 1.00 0.73 H new ATOM 0 HG11 VAL A 64 -9.011 -8.611 -3.601 1.00 1.10 H new ATOM 0 HG12 VAL A 64 -7.260 -8.500 -3.303 1.00 1.10 H new ATOM 0 HG13 VAL A 64 -7.899 -9.748 -4.399 1.00 1.10 H new ATOM 0 HG21 VAL A 64 -10.324 -10.455 -2.652 1.00 1.14 H new ATOM 0 HG22 VAL A 64 -9.265 -11.682 -3.388 1.00 1.14 H new ATOM 0 HG23 VAL A 64 -9.549 -11.691 -1.632 1.00 1.14 H new ATOM 957 N ALA A 65 -5.408 -9.947 -0.532 1.00 0.52 N ATOM 958 CA ALA A 65 -4.301 -9.093 -0.099 1.00 0.58 C ATOM 959 C ALA A 65 -2.981 -9.533 -0.720 1.00 0.56 C ATOM 960 O ALA A 65 -2.089 -8.720 -0.958 1.00 0.68 O ATOM 961 CB ALA A 65 -4.189 -9.099 1.418 1.00 0.67 C ATOM 0 H ALA A 65 -5.874 -10.444 0.227 1.00 0.52 H new ATOM 0 HA ALA A 65 -4.513 -8.079 -0.439 1.00 0.58 H new ATOM 0 HB1 ALA A 65 -3.361 -8.459 1.724 1.00 0.67 H new ATOM 0 HB2 ALA A 65 -5.116 -8.726 1.853 1.00 0.67 H new ATOM 0 HB3 ALA A 65 -4.009 -10.116 1.766 1.00 0.67 H new ATOM 967 N GLY A 66 -2.871 -10.819 -0.996 1.00 0.50 N ATOM 968 CA GLY A 66 -1.645 -11.364 -1.533 1.00 0.56 C ATOM 969 C GLY A 66 -1.761 -11.677 -3.007 1.00 0.58 C ATOM 970 O GLY A 66 -1.014 -12.497 -3.536 1.00 0.77 O ATOM 0 H GLY A 66 -3.616 -11.502 -0.857 1.00 0.50 H new ATOM 0 HA2 GLY A 66 -0.833 -10.653 -1.376 1.00 0.56 H new ATOM 0 HA3 GLY A 66 -1.383 -12.272 -0.989 1.00 0.56 H new ATOM 974 N ARG A 67 -2.712 -11.038 -3.671 1.00 0.55 N ATOM 975 CA ARG A 67 -2.937 -11.254 -5.086 1.00 0.63 C ATOM 976 C ARG A 67 -2.301 -10.137 -5.920 1.00 0.58 C ATOM 977 O ARG A 67 -2.169 -10.250 -7.139 1.00 0.78 O ATOM 978 CB ARG A 67 -4.440 -11.320 -5.351 1.00 0.77 C ATOM 979 CG ARG A 67 -4.802 -11.539 -6.804 1.00 0.93 C ATOM 980 CD ARG A 67 -4.724 -13.004 -7.217 1.00 1.10 C ATOM 981 NE ARG A 67 -3.421 -13.613 -6.942 1.00 1.82 N ATOM 982 CZ ARG A 67 -2.716 -14.298 -7.843 1.00 2.63 C ATOM 983 NH1 ARG A 67 -3.122 -14.362 -9.102 1.00 2.86 N ATOM 984 NH2 ARG A 67 -1.584 -14.887 -7.491 1.00 3.63 N ATOM 0 H ARG A 67 -3.344 -10.360 -3.245 1.00 0.55 H new ATOM 0 HA ARG A 67 -2.471 -12.195 -5.378 1.00 0.63 H new ATOM 0 HB2 ARG A 67 -4.868 -12.126 -4.756 1.00 0.77 H new ATOM 0 HB3 ARG A 67 -4.899 -10.393 -5.009 1.00 0.77 H new ATOM 0 HG2 ARG A 67 -5.812 -11.169 -6.982 1.00 0.93 H new ATOM 0 HG3 ARG A 67 -4.132 -10.953 -7.433 1.00 0.93 H new ATOM 0 HD2 ARG A 67 -5.498 -13.564 -6.692 1.00 1.10 H new ATOM 0 HD3 ARG A 67 -4.938 -13.086 -8.283 1.00 1.10 H new ATOM 0 HE ARG A 67 -3.030 -13.507 -6.006 1.00 1.82 H new ATOM 0 HH11 ARG A 67 -3.978 -13.886 -9.387 1.00 2.86 H new ATOM 0 HH12 ARG A 67 -2.579 -14.887 -9.787 1.00 2.86 H new ATOM 0 HH21 ARG A 67 -1.250 -14.817 -6.530 1.00 3.63 H new ATOM 0 HH22 ARG A 67 -1.046 -15.411 -8.181 1.00 3.63 H new ATOM 998 N VAL A 68 -1.901 -9.060 -5.256 1.00 0.50 N ATOM 999 CA VAL A 68 -1.346 -7.901 -5.951 1.00 0.48 C ATOM 1000 C VAL A 68 0.167 -8.022 -6.105 1.00 0.54 C ATOM 1001 O VAL A 68 0.787 -8.934 -5.554 1.00 0.95 O ATOM 1002 CB VAL A 68 -1.684 -6.574 -5.231 1.00 0.47 C ATOM 1003 CG1 VAL A 68 -3.192 -6.357 -5.186 1.00 0.90 C ATOM 1004 CG2 VAL A 68 -1.092 -6.557 -3.825 1.00 0.89 C ATOM 0 H VAL A 68 -1.949 -8.963 -4.242 1.00 0.50 H new ATOM 0 HA VAL A 68 -1.808 -7.883 -6.938 1.00 0.48 H new ATOM 0 HB VAL A 68 -1.239 -5.755 -5.796 1.00 0.47 H new ATOM 0 HG11 VAL A 68 -3.410 -5.419 -4.676 1.00 0.90 H new ATOM 0 HG12 VAL A 68 -3.584 -6.317 -6.202 1.00 0.90 H new ATOM 0 HG13 VAL A 68 -3.662 -7.180 -4.648 1.00 0.90 H new ATOM 0 HG21 VAL A 68 -1.342 -5.615 -3.337 1.00 0.89 H new ATOM 0 HG22 VAL A 68 -1.502 -7.385 -3.247 1.00 0.89 H new ATOM 0 HG23 VAL A 68 -0.008 -6.659 -3.885 1.00 0.89 H new ATOM 1014 N ASP A 69 0.751 -7.093 -6.851 1.00 0.38 N ATOM 1015 CA ASP A 69 2.190 -7.096 -7.099 1.00 0.43 C ATOM 1016 C ASP A 69 2.722 -5.669 -7.145 1.00 0.34 C ATOM 1017 O ASP A 69 3.749 -5.353 -6.538 1.00 0.41 O ATOM 1018 CB ASP A 69 2.505 -7.828 -8.412 1.00 0.65 C ATOM 1019 CG ASP A 69 3.966 -7.733 -8.811 1.00 0.97 C ATOM 1020 OD1 ASP A 69 4.793 -8.500 -8.268 1.00 1.75 O ATOM 1021 OD2 ASP A 69 4.290 -6.903 -9.682 1.00 1.65 O ATOM 0 H ASP A 69 0.250 -6.325 -7.297 1.00 0.38 H new ATOM 0 HA ASP A 69 2.682 -7.624 -6.282 1.00 0.43 H new ATOM 0 HB2 ASP A 69 2.230 -8.878 -8.311 1.00 0.65 H new ATOM 0 HB3 ASP A 69 1.889 -7.412 -9.209 1.00 0.65 H new ATOM 1026 N THR A 70 2.010 -4.806 -7.854 1.00 0.34 N ATOM 1027 CA THR A 70 2.403 -3.411 -7.964 1.00 0.31 C ATOM 1028 C THR A 70 1.527 -2.514 -7.089 1.00 0.28 C ATOM 1029 O THR A 70 0.361 -2.826 -6.836 1.00 0.28 O ATOM 1030 CB THR A 70 2.341 -2.927 -9.426 1.00 0.39 C ATOM 1031 OG1 THR A 70 1.057 -3.220 -9.995 1.00 0.50 O ATOM 1032 CG2 THR A 70 3.434 -3.579 -10.256 1.00 0.44 C ATOM 0 H THR A 70 1.158 -5.047 -8.361 1.00 0.34 H new ATOM 0 HA THR A 70 3.433 -3.342 -7.614 1.00 0.31 H new ATOM 0 HB THR A 70 2.495 -1.848 -9.432 1.00 0.39 H new ATOM 0 HG1 THR A 70 0.823 -4.154 -9.811 1.00 0.50 H new ATOM 0 HG21 THR A 70 3.371 -3.223 -11.284 1.00 0.44 H new ATOM 0 HG22 THR A 70 4.409 -3.321 -9.841 1.00 0.44 H new ATOM 0 HG23 THR A 70 3.307 -4.661 -10.239 1.00 0.44 H new ATOM 1040 N PRO A 71 2.093 -1.388 -6.608 1.00 0.29 N ATOM 1041 CA PRO A 71 1.368 -0.413 -5.784 1.00 0.29 C ATOM 1042 C PRO A 71 0.109 0.109 -6.461 1.00 0.27 C ATOM 1043 O PRO A 71 -0.882 0.411 -5.796 1.00 0.28 O ATOM 1044 CB PRO A 71 2.375 0.724 -5.588 1.00 0.34 C ATOM 1045 CG PRO A 71 3.704 0.094 -5.792 1.00 0.38 C ATOM 1046 CD PRO A 71 3.497 -0.990 -6.809 1.00 0.35 C ATOM 0 HA PRO A 71 1.024 -0.860 -4.852 1.00 0.29 H new ATOM 0 HB2 PRO A 71 2.206 1.530 -6.302 1.00 0.34 H new ATOM 0 HB3 PRO A 71 2.292 1.158 -4.592 1.00 0.34 H new ATOM 0 HG2 PRO A 71 4.432 0.825 -6.144 1.00 0.38 H new ATOM 0 HG3 PRO A 71 4.089 -0.316 -4.858 1.00 0.38 H new ATOM 0 HD2 PRO A 71 3.670 -0.628 -7.822 1.00 0.35 H new ATOM 0 HD3 PRO A 71 4.178 -1.826 -6.649 1.00 0.35 H new ATOM 1054 N ARG A 72 0.159 0.234 -7.782 1.00 0.32 N ATOM 1055 CA ARG A 72 -1.002 0.664 -8.549 1.00 0.37 C ATOM 1056 C ARG A 72 -2.193 -0.252 -8.287 1.00 0.35 C ATOM 1057 O ARG A 72 -3.299 0.217 -8.021 1.00 0.38 O ATOM 1058 CB ARG A 72 -0.677 0.705 -10.045 1.00 0.49 C ATOM 1059 CG ARG A 72 -1.869 1.044 -10.925 1.00 0.83 C ATOM 1060 CD ARG A 72 -1.448 1.209 -12.377 1.00 1.15 C ATOM 1061 NE ARG A 72 -0.532 2.345 -12.546 1.00 1.76 N ATOM 1062 CZ ARG A 72 0.683 2.277 -13.105 1.00 2.72 C ATOM 1063 NH1 ARG A 72 1.156 1.132 -13.586 1.00 3.22 N ATOM 1064 NH2 ARG A 72 1.425 3.376 -13.195 1.00 3.56 N ATOM 0 H ARG A 72 0.990 0.044 -8.343 1.00 0.32 H new ATOM 0 HA ARG A 72 -1.267 1.671 -8.226 1.00 0.37 H new ATOM 0 HB2 ARG A 72 0.109 1.440 -10.216 1.00 0.49 H new ATOM 0 HB3 ARG A 72 -0.279 -0.264 -10.347 1.00 0.49 H new ATOM 0 HG2 ARG A 72 -2.618 0.256 -10.848 1.00 0.83 H new ATOM 0 HG3 ARG A 72 -2.336 1.963 -10.572 1.00 0.83 H new ATOM 0 HD2 ARG A 72 -0.964 0.296 -12.723 1.00 1.15 H new ATOM 0 HD3 ARG A 72 -2.331 1.357 -12.999 1.00 1.15 H new ATOM 0 HE ARG A 72 -0.846 3.256 -12.212 1.00 1.76 H new ATOM 0 HH11 ARG A 72 0.591 0.284 -13.533 1.00 3.22 H new ATOM 0 HH12 ARG A 72 2.084 1.101 -14.008 1.00 3.22 H new ATOM 0 HH21 ARG A 72 1.068 4.263 -12.840 1.00 3.56 H new ATOM 0 HH22 ARG A 72 2.351 3.332 -13.619 1.00 3.56 H new ATOM 1078 N GLU A 73 -1.948 -1.556 -8.333 1.00 0.36 N ATOM 1079 CA GLU A 73 -2.995 -2.543 -8.100 1.00 0.39 C ATOM 1080 C GLU A 73 -3.503 -2.455 -6.667 1.00 0.36 C ATOM 1081 O GLU A 73 -4.703 -2.525 -6.420 1.00 0.38 O ATOM 1082 CB GLU A 73 -2.463 -3.947 -8.373 1.00 0.47 C ATOM 1083 CG GLU A 73 -1.927 -4.135 -9.780 1.00 0.56 C ATOM 1084 CD GLU A 73 -1.222 -5.462 -9.953 1.00 1.62 C ATOM 1085 OE1 GLU A 73 -0.133 -5.644 -9.367 1.00 2.43 O ATOM 1086 OE2 GLU A 73 -1.754 -6.325 -10.687 1.00 1.91 O ATOM 0 H GLU A 73 -1.030 -1.955 -8.530 1.00 0.36 H new ATOM 0 HA GLU A 73 -3.822 -2.334 -8.779 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -1.670 -4.170 -7.659 1.00 0.47 H new ATOM 0 HB3 GLU A 73 -3.261 -4.668 -8.199 1.00 0.47 H new ATOM 0 HG2 GLU A 73 -2.750 -4.068 -10.492 1.00 0.56 H new ATOM 0 HG3 GLU A 73 -1.236 -3.326 -10.014 1.00 0.56 H new ATOM 1093 N LEU A 74 -2.574 -2.289 -5.733 1.00 0.33 N ATOM 1094 CA LEU A 74 -2.909 -2.164 -4.318 1.00 0.34 C ATOM 1095 C LEU A 74 -3.810 -0.951 -4.101 1.00 0.33 C ATOM 1096 O LEU A 74 -4.872 -1.055 -3.479 1.00 0.36 O ATOM 1097 CB LEU A 74 -1.612 -2.045 -3.498 1.00 0.34 C ATOM 1098 CG LEU A 74 -1.725 -2.297 -1.985 1.00 0.45 C ATOM 1099 CD1 LEU A 74 -2.393 -1.127 -1.271 1.00 1.22 C ATOM 1100 CD2 LEU A 74 -2.477 -3.594 -1.712 1.00 0.98 C ATOM 0 H LEU A 74 -1.575 -2.237 -5.932 1.00 0.33 H new ATOM 0 HA LEU A 74 -3.452 -3.049 -3.986 1.00 0.34 H new ATOM 0 HB2 LEU A 74 -0.886 -2.748 -3.907 1.00 0.34 H new ATOM 0 HB3 LEU A 74 -1.206 -1.044 -3.647 1.00 0.34 H new ATOM 0 HG LEU A 74 -0.714 -2.391 -1.589 1.00 0.45 H new ATOM 0 HD11 LEU A 74 -2.456 -1.340 -0.204 1.00 1.22 H new ATOM 0 HD12 LEU A 74 -1.805 -0.222 -1.426 1.00 1.22 H new ATOM 0 HD13 LEU A 74 -3.396 -0.981 -1.672 1.00 1.22 H new ATOM 0 HD21 LEU A 74 -2.547 -3.755 -0.636 1.00 0.98 H new ATOM 0 HD22 LEU A 74 -3.480 -3.529 -2.135 1.00 0.98 H new ATOM 0 HD23 LEU A 74 -1.943 -4.427 -2.170 1.00 0.98 H new ATOM 1112 N LEU A 75 -3.387 0.190 -4.633 1.00 0.31 N ATOM 1113 CA LEU A 75 -4.151 1.429 -4.520 1.00 0.33 C ATOM 1114 C LEU A 75 -5.533 1.275 -5.144 1.00 0.35 C ATOM 1115 O LEU A 75 -6.548 1.533 -4.496 1.00 0.37 O ATOM 1116 CB LEU A 75 -3.408 2.582 -5.201 1.00 0.35 C ATOM 1117 CG LEU A 75 -4.074 3.958 -5.072 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -4.060 4.419 -3.626 1.00 1.12 C ATOM 1119 CD2 LEU A 75 -3.379 4.969 -5.967 1.00 0.91 C ATOM 0 H LEU A 75 -2.513 0.284 -5.150 1.00 0.31 H new ATOM 0 HA LEU A 75 -4.267 1.653 -3.460 1.00 0.33 H new ATOM 0 HB2 LEU A 75 -2.403 2.642 -4.783 1.00 0.35 H new ATOM 0 HB3 LEU A 75 -3.299 2.347 -6.260 1.00 0.35 H new ATOM 0 HG LEU A 75 -5.112 3.874 -5.394 1.00 0.48 H new ATOM 0 HD11 LEU A 75 -4.536 5.397 -3.551 1.00 1.12 H new ATOM 0 HD12 LEU A 75 -4.604 3.703 -3.010 1.00 1.12 H new ATOM 0 HD13 LEU A 75 -3.030 4.489 -3.276 1.00 1.12 H new ATOM 0 HD21 LEU A 75 -3.864 5.940 -5.864 1.00 0.91 H new ATOM 0 HD22 LEU A 75 -2.332 5.053 -5.676 1.00 0.91 H new ATOM 0 HD23 LEU A 75 -3.442 4.640 -7.004 1.00 0.91 H new ATOM 1131 N ASP A 76 -5.559 0.827 -6.396 1.00 0.39 N ATOM 1132 CA ASP A 76 -6.799 0.737 -7.166 1.00 0.44 C ATOM 1133 C ASP A 76 -7.787 -0.230 -6.518 1.00 0.40 C ATOM 1134 O ASP A 76 -8.997 -0.008 -6.555 1.00 0.43 O ATOM 1135 CB ASP A 76 -6.498 0.290 -8.601 1.00 0.55 C ATOM 1136 CG ASP A 76 -7.661 0.526 -9.551 1.00 0.93 C ATOM 1137 OD1 ASP A 76 -8.589 -0.304 -9.591 1.00 1.43 O ATOM 1138 OD2 ASP A 76 -7.642 1.547 -10.272 1.00 1.16 O ATOM 0 H ASP A 76 -4.730 0.518 -6.903 1.00 0.39 H new ATOM 0 HA ASP A 76 -7.254 1.727 -7.183 1.00 0.44 H new ATOM 0 HB2 ASP A 76 -5.622 0.826 -8.967 1.00 0.55 H new ATOM 0 HB3 ASP A 76 -6.246 -0.770 -8.600 1.00 0.55 H new ATOM 1143 N LEU A 77 -7.267 -1.295 -5.914 1.00 0.37 N ATOM 1144 CA LEU A 77 -8.108 -2.291 -5.257 1.00 0.38 C ATOM 1145 C LEU A 77 -8.854 -1.661 -4.082 1.00 0.34 C ATOM 1146 O LEU A 77 -10.082 -1.723 -4.008 1.00 0.39 O ATOM 1147 CB LEU A 77 -7.249 -3.482 -4.789 1.00 0.46 C ATOM 1148 CG LEU A 77 -8.005 -4.750 -4.350 1.00 0.84 C ATOM 1149 CD1 LEU A 77 -8.620 -4.594 -2.964 1.00 1.29 C ATOM 1150 CD2 LEU A 77 -9.079 -5.107 -5.368 1.00 1.66 C ATOM 0 H LEU A 77 -6.267 -1.490 -5.866 1.00 0.37 H new ATOM 0 HA LEU A 77 -8.846 -2.659 -5.969 1.00 0.38 H new ATOM 0 HB2 LEU A 77 -6.572 -3.753 -5.600 1.00 0.46 H new ATOM 0 HB3 LEU A 77 -6.631 -3.149 -3.955 1.00 0.46 H new ATOM 0 HG LEU A 77 -7.279 -5.562 -4.298 1.00 0.84 H new ATOM 0 HD11 LEU A 77 -9.144 -5.511 -2.693 1.00 1.29 H new ATOM 0 HD12 LEU A 77 -7.832 -4.397 -2.237 1.00 1.29 H new ATOM 0 HD13 LEU A 77 -9.324 -3.762 -2.970 1.00 1.29 H new ATOM 0 HD21 LEU A 77 -9.604 -6.005 -5.043 1.00 1.66 H new ATOM 0 HD22 LEU A 77 -9.788 -4.283 -5.453 1.00 1.66 H new ATOM 0 HD23 LEU A 77 -8.615 -5.288 -6.338 1.00 1.66 H new ATOM 1162 N ILE A 78 -8.107 -1.039 -3.175 1.00 0.31 N ATOM 1163 CA ILE A 78 -8.702 -0.415 -1.997 1.00 0.31 C ATOM 1164 C ILE A 78 -9.550 0.796 -2.392 1.00 0.34 C ATOM 1165 O ILE A 78 -10.625 1.026 -1.838 1.00 0.41 O ATOM 1166 CB ILE A 78 -7.618 0.008 -0.982 1.00 0.33 C ATOM 1167 CG1 ILE A 78 -6.777 -1.207 -0.587 1.00 0.34 C ATOM 1168 CG2 ILE A 78 -8.256 0.638 0.249 1.00 0.38 C ATOM 1169 CD1 ILE A 78 -5.632 -0.886 0.352 1.00 0.40 C ATOM 0 H ILE A 78 -7.092 -0.953 -3.232 1.00 0.31 H new ATOM 0 HA ILE A 78 -9.347 -1.155 -1.524 1.00 0.31 H new ATOM 0 HB ILE A 78 -6.970 0.751 -1.446 1.00 0.33 H new ATOM 0 HG12 ILE A 78 -7.424 -1.946 -0.115 1.00 0.34 H new ATOM 0 HG13 ILE A 78 -6.375 -1.666 -1.490 1.00 0.34 H new ATOM 0 HG21 ILE A 78 -7.477 0.930 0.953 1.00 0.38 H new ATOM 0 HG22 ILE A 78 -8.826 1.519 -0.047 1.00 0.38 H new ATOM 0 HG23 ILE A 78 -8.922 -0.083 0.723 1.00 0.38 H new ATOM 0 HD11 ILE A 78 -5.085 -1.800 0.584 1.00 0.40 H new ATOM 0 HD12 ILE A 78 -4.960 -0.172 -0.124 1.00 0.40 H new ATOM 0 HD13 ILE A 78 -6.026 -0.455 1.273 1.00 0.40 H new ATOM 1181 N ASN A 79 -9.062 1.559 -3.360 1.00 0.36 N ATOM 1182 CA ASN A 79 -9.778 2.728 -3.861 1.00 0.44 C ATOM 1183 C ASN A 79 -11.103 2.299 -4.494 1.00 0.44 C ATOM 1184 O ASN A 79 -12.151 2.902 -4.249 1.00 0.49 O ATOM 1185 CB ASN A 79 -8.910 3.459 -4.892 1.00 0.53 C ATOM 1186 CG ASN A 79 -9.401 4.858 -5.205 1.00 0.71 C ATOM 1187 OD1 ASN A 79 -10.263 5.051 -6.061 1.00 1.67 O ATOM 1188 ND2 ASN A 79 -8.818 5.850 -4.539 1.00 0.78 N ATOM 0 H ASN A 79 -8.167 1.389 -3.818 1.00 0.36 H new ATOM 0 HA ASN A 79 -9.991 3.403 -3.032 1.00 0.44 H new ATOM 0 HB2 ASN A 79 -7.887 3.515 -4.521 1.00 0.53 H new ATOM 0 HB3 ASN A 79 -8.883 2.876 -5.813 1.00 0.53 H new ATOM 0 HD21 ASN A 79 -9.081 6.817 -4.730 1.00 0.78 H new ATOM 0 HD22 ASN A 79 -8.107 5.644 -3.837 1.00 0.78 H new ATOM 1195 N GLY A 80 -11.046 1.225 -5.278 1.00 0.43 N ATOM 1196 CA GLY A 80 -12.231 0.693 -5.925 1.00 0.47 C ATOM 1197 C GLY A 80 -13.220 0.110 -4.935 1.00 0.48 C ATOM 1198 O GLY A 80 -14.432 0.188 -5.143 1.00 0.54 O ATOM 0 H GLY A 80 -10.189 0.709 -5.477 1.00 0.43 H new ATOM 0 HA2 GLY A 80 -12.716 1.485 -6.495 1.00 0.47 H new ATOM 0 HA3 GLY A 80 -11.937 -0.078 -6.637 1.00 0.47 H new ATOM 1202 N ALA A 81 -12.704 -0.455 -3.847 1.00 0.49 N ATOM 1203 CA ALA A 81 -13.553 -1.031 -2.808 1.00 0.56 C ATOM 1204 C ALA A 81 -14.337 0.069 -2.106 1.00 0.61 C ATOM 1205 O ALA A 81 -15.513 -0.101 -1.778 1.00 0.73 O ATOM 1206 CB ALA A 81 -12.716 -1.810 -1.798 1.00 0.60 C ATOM 0 H ALA A 81 -11.703 -0.526 -3.662 1.00 0.49 H new ATOM 0 HA ALA A 81 -14.254 -1.722 -3.277 1.00 0.56 H new ATOM 0 HB1 ALA A 81 -13.368 -2.231 -1.033 1.00 0.60 H new ATOM 0 HB2 ALA A 81 -12.188 -2.616 -2.308 1.00 0.60 H new ATOM 0 HB3 ALA A 81 -11.993 -1.141 -1.331 1.00 0.60 H new ATOM 1212 N LEU A 82 -13.676 1.200 -1.903 1.00 0.57 N ATOM 1213 CA LEU A 82 -14.297 2.363 -1.282 1.00 0.64 C ATOM 1214 C LEU A 82 -15.316 2.994 -2.224 1.00 0.70 C ATOM 1215 O LEU A 82 -16.348 3.499 -1.791 1.00 0.87 O ATOM 1216 CB LEU A 82 -13.226 3.388 -0.909 1.00 0.64 C ATOM 1217 CG LEU A 82 -12.281 2.953 0.207 1.00 0.52 C ATOM 1218 CD1 LEU A 82 -11.208 4.003 0.442 1.00 0.83 C ATOM 1219 CD2 LEU A 82 -13.057 2.691 1.486 1.00 0.85 C ATOM 0 H LEU A 82 -12.699 1.338 -2.162 1.00 0.57 H new ATOM 0 HA LEU A 82 -14.814 2.040 -0.379 1.00 0.64 H new ATOM 0 HB2 LEU A 82 -12.636 3.615 -1.797 1.00 0.64 H new ATOM 0 HB3 LEU A 82 -13.718 4.313 -0.609 1.00 0.64 H new ATOM 0 HG LEU A 82 -11.793 2.028 -0.098 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -10.545 3.673 1.242 1.00 0.83 H new ATOM 0 HD12 LEU A 82 -10.631 4.145 -0.472 1.00 0.83 H new ATOM 0 HD13 LEU A 82 -11.677 4.945 0.725 1.00 0.83 H new ATOM 0 HD21 LEU A 82 -12.369 2.382 2.272 1.00 0.85 H new ATOM 0 HD22 LEU A 82 -13.572 3.602 1.792 1.00 0.85 H new ATOM 0 HD23 LEU A 82 -13.788 1.901 1.313 1.00 0.85 H new ATOM 1231 N ALA A 83 -15.023 2.941 -3.521 1.00 0.63 N ATOM 1232 CA ALA A 83 -15.901 3.513 -4.535 1.00 0.71 C ATOM 1233 C ALA A 83 -17.234 2.766 -4.611 1.00 0.85 C ATOM 1234 O ALA A 83 -18.216 3.284 -5.140 1.00 1.05 O ATOM 1235 CB ALA A 83 -15.215 3.509 -5.896 1.00 0.70 C ATOM 0 H ALA A 83 -14.180 2.505 -3.894 1.00 0.63 H new ATOM 0 HA ALA A 83 -16.112 4.543 -4.247 1.00 0.71 H new ATOM 0 HB1 ALA A 83 -15.884 3.939 -6.642 1.00 0.70 H new ATOM 0 HB2 ALA A 83 -14.301 4.100 -5.844 1.00 0.70 H new ATOM 0 HB3 ALA A 83 -14.969 2.485 -6.177 1.00 0.70 H new ATOM 1241 N GLU A 84 -17.260 1.544 -4.085 1.00 0.89 N ATOM 1242 CA GLU A 84 -18.471 0.733 -4.097 1.00 1.11 C ATOM 1243 C GLU A 84 -19.066 0.620 -2.696 1.00 1.29 C ATOM 1244 O GLU A 84 -19.945 -0.208 -2.447 1.00 1.58 O ATOM 1245 CB GLU A 84 -18.171 -0.666 -4.643 1.00 1.25 C ATOM 1246 CG GLU A 84 -17.692 -0.676 -6.084 1.00 1.81 C ATOM 1247 CD GLU A 84 -17.416 -2.076 -6.587 1.00 2.11 C ATOM 1248 OE1 GLU A 84 -16.285 -2.570 -6.401 1.00 2.67 O ATOM 1249 OE2 GLU A 84 -18.334 -2.695 -7.166 1.00 2.39 O ATOM 0 H GLU A 84 -16.456 1.095 -3.646 1.00 0.89 H new ATOM 0 HA GLU A 84 -19.196 1.224 -4.746 1.00 1.11 H new ATOM 0 HB2 GLU A 84 -17.413 -1.135 -4.016 1.00 1.25 H new ATOM 0 HB3 GLU A 84 -19.071 -1.276 -4.566 1.00 1.25 H new ATOM 0 HG2 GLU A 84 -18.444 -0.206 -6.718 1.00 1.81 H new ATOM 0 HG3 GLU A 84 -16.785 -0.077 -6.167 1.00 1.81 H new ATOM 1256 N ALA A 85 -18.594 1.459 -1.785 1.00 1.27 N ATOM 1257 CA ALA A 85 -19.044 1.409 -0.405 1.00 1.57 C ATOM 1258 C ALA A 85 -19.587 2.757 0.047 1.00 1.83 C ATOM 1259 O ALA A 85 -19.313 3.788 -0.570 1.00 2.45 O ATOM 1260 CB ALA A 85 -17.910 0.963 0.508 1.00 1.74 C ATOM 0 H ALA A 85 -17.900 2.181 -1.978 1.00 1.27 H new ATOM 0 HA ALA A 85 -19.853 0.682 -0.343 1.00 1.57 H new ATOM 0 HB1 ALA A 85 -18.264 0.931 1.538 1.00 1.74 H new ATOM 0 HB2 ALA A 85 -17.571 -0.029 0.209 1.00 1.74 H new ATOM 0 HB3 ALA A 85 -17.082 1.668 0.431 1.00 1.74 H new ATOM 1266 N ALA A 86 -20.358 2.742 1.126 1.00 2.09 N ATOM 1267 CA ALA A 86 -20.919 3.962 1.687 1.00 2.63 C ATOM 1268 C ALA A 86 -21.126 3.809 3.188 1.00 3.28 C ATOM 1269 O ALA A 86 -22.269 3.541 3.611 1.00 3.73 O ATOM 1270 CB ALA A 86 -22.231 4.316 1.000 1.00 3.12 C ATOM 1271 OXT ALA A 86 -20.137 3.913 3.939 1.00 3.82 O ATOM 0 H ALA A 86 -20.610 1.893 1.632 1.00 2.09 H new ATOM 0 HA ALA A 86 -20.214 4.775 1.515 1.00 2.63 H new ATOM 0 HB1 ALA A 86 -22.634 5.231 1.434 1.00 3.12 H new ATOM 0 HB2 ALA A 86 -22.055 4.467 -0.065 1.00 3.12 H new ATOM 0 HB3 ALA A 86 -22.945 3.504 1.138 1.00 3.12 H new TER 1277 ALA A 86 HETATM 1278 P24 SXO A 87 7.398 -13.457 2.939 1.00 1.12 P HETATM 1279 O26 SXO A 87 8.707 -13.748 3.713 1.00 1.48 O HETATM 1280 O23 SXO A 87 7.312 -13.882 1.452 1.00 1.45 O HETATM 1281 O27 SXO A 87 6.207 -14.130 3.708 1.00 1.11 O HETATM 1282 C28 SXO A 87 5.957 -13.739 5.099 1.00 1.02 C HETATM 1283 C29 SXO A 87 4.729 -14.466 5.649 1.00 1.15 C HETATM 1284 C30 SXO A 87 4.445 -13.880 7.019 1.00 1.14 C HETATM 1285 C31 SXO A 87 3.533 -14.240 4.724 1.00 1.22 C HETATM 1286 C32 SXO A 87 5.026 -15.993 5.757 1.00 1.49 C HETATM 1287 O33 SXO A 87 5.640 -16.453 4.549 1.00 1.65 O HETATM 1288 C34 SXO A 87 3.750 -16.802 6.017 1.00 1.70 C HETATM 1289 O35 SXO A 87 3.296 -17.542 5.143 1.00 1.95 O HETATM 1290 N36 SXO A 87 3.170 -16.662 7.205 1.00 1.69 N HETATM 1291 C37 SXO A 87 1.959 -17.380 7.604 1.00 1.95 C HETATM 1292 C38 SXO A 87 1.227 -16.716 8.764 1.00 1.97 C HETATM 1293 C39 SXO A 87 0.169 -15.723 8.326 1.00 1.75 C HETATM 1294 O40 SXO A 87 -0.783 -15.433 9.051 1.00 2.21 O HETATM 1295 N41 SXO A 87 0.354 -15.219 7.120 1.00 1.79 N HETATM 1296 C42 SXO A 87 -0.541 -14.246 6.498 1.00 1.94 C HETATM 1297 C43 SXO A 87 0.151 -13.425 5.422 1.00 1.99 C HETATM 1298 S1 SXO A 87 -0.975 -12.349 4.673 1.00 1.96 S HETATM 1299 C1 SXO A 87 0.126 -11.544 3.593 1.00 1.93 C HETATM 1300 O1 SXO A 87 1.329 -11.792 3.512 1.00 2.52 O HETATM 1301 C2 SXO A 87 -0.518 -10.472 2.733 1.00 2.08 C HETATM 1302 C3 SXO A 87 -0.002 -9.083 3.060 1.00 1.81 C HETATM 1303 C4 SXO A 87 -0.765 -8.008 2.300 1.00 1.94 C HETATM 1304 C5 SXO A 87 -0.319 -6.615 2.712 1.00 1.78 C HETATM 1305 C6 SXO A 87 -1.097 -5.521 1.999 1.00 1.64 C HETATM 1306 C7 SXO A 87 -0.647 -4.145 2.467 1.00 1.79 C HETATM 1307 C8 SXO A 87 -1.470 -3.069 1.803 1.00 1.84 C HETATM 0 HO33 SXO A 87 5.665 -15.723 3.896 1.00 1.65 H new HETATM 0 HN41 SXO A 87 1.170 -15.527 6.591 1.00 1.79 H new HETATM 0 HN36 SXO A 87 3.592 -16.019 7.875 1.00 1.69 H new HETATM 0 H43A SXO A 87 0.972 -12.857 5.860 1.00 1.99 H new HETATM 0 H42A SXO A 87 -1.393 -14.768 6.061 1.00 1.94 H new HETATM 0 H38A SXO A 87 0.759 -17.487 9.376 1.00 1.97 H new HETATM 0 H37A SXO A 87 1.286 -17.449 6.749 1.00 1.95 H new HETATM 0 H31B SXO A 87 3.320 -13.173 4.659 1.00 1.22 H new HETATM 0 H31A SXO A 87 3.763 -14.625 3.731 1.00 1.22 H new HETATM 0 H30B SXO A 87 5.307 -14.036 7.667 1.00 1.14 H new HETATM 0 H30A SXO A 87 4.250 -12.812 6.925 1.00 1.14 H new HETATM 0 H28A SXO A 87 6.829 -13.972 5.710 1.00 1.02 H new HETATM 0 H8B SXO A 87 -1.349 -3.133 0.722 1.00 1.84 H new HETATM 0 H8A SXO A 87 -2.521 -3.205 2.059 1.00 1.84 H new HETATM 0 H8 SXO A 87 -1.136 -2.090 2.148 1.00 1.84 H new HETATM 0 H7A SXO A 87 -0.746 -4.072 3.550 1.00 1.79 H new HETATM 0 H7 SXO A 87 0.408 -4.001 2.233 1.00 1.79 H new HETATM 0 H6A SXO A 87 -0.953 -5.609 0.922 1.00 1.64 H new HETATM 0 H6 SXO A 87 -2.163 -5.644 2.189 1.00 1.64 H new HETATM 0 H5A SXO A 87 -0.442 -6.501 3.789 1.00 1.78 H new HETATM 0 H5 SXO A 87 0.744 -6.499 2.499 1.00 1.78 H new HETATM 0 H4A SXO A 87 -0.611 -8.139 1.229 1.00 1.94 H new HETATM 0 H43 SXO A 87 0.586 -14.087 4.673 1.00 1.99 H new HETATM 0 H42 SXO A 87 -0.935 -13.578 7.264 1.00 1.94 H new HETATM 0 H4 SXO A 87 -1.834 -8.119 2.484 1.00 1.94 H new HETATM 0 H3A SXO A 87 -0.091 -8.904 4.132 1.00 1.81 H new HETATM 0 H38 SXO A 87 1.953 -16.205 9.396 1.00 1.97 H new HETATM 0 H37 SXO A 87 2.224 -18.399 7.885 1.00 1.95 H new HETATM 0 H32 SXO A 87 5.700 -16.141 6.601 1.00 1.49 H new HETATM 0 H31 SXO A 87 2.662 -14.761 5.122 1.00 1.22 H new HETATM 0 H30 SXO A 87 3.573 -14.371 7.451 1.00 1.14 H new HETATM 0 H3 SXO A 87 1.058 -9.021 2.813 1.00 1.81 H new HETATM 0 H2A SXO A 87 -0.327 -10.690 1.682 1.00 2.08 H new HETATM 0 H28 SXO A 87 5.805 -12.661 5.158 1.00 1.02 H new HETATM 0 H2 SXO A 87 -1.599 -10.498 2.873 1.00 2.08 H new