USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 SER OG : rot -77:sc= 2.15 USER MOD Set 1.2: A 71 THR OG1 : rot -80:sc= 0.52 USER MOD Set 2.1: A 45 MET CE :methyl -112:sc= 0 (180deg=-0.984) USER MOD Set 2.2: A 50 GLN : amide:sc= -0.0296 X(o=-0.03,f=-0.38) USER MOD Set 2.3: A 60 MET CE :methyl -148:sc= 0 (180deg=0) USER MOD Set 2.4: A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0.0513 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0678 K(o=-0.068,f=-2.6!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.88 USER MOD Single : A 16 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.41) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.168 K(o=-0.17,f=-1.5!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -133:sc= 0.829 USER MOD Single : A 37 SER OG : rot 180:sc= 0.107 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -137:sc= -0.986 (180deg=-6.38!) USER MOD Single : A 51 ASN : amide:sc= -0.746 K(o=-0.75,f=-0.2) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.163 USER MOD Single : A 58 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.49) USER MOD Single : A 80 MET CE :methyl -135:sc= -4.17! (180deg=-6.82!) USER MOD Single : A 81 MET CE :methyl -159:sc= -0.802 (180deg=-2.74!) USER MOD Single : A 85 MET CE :methyl 154:sc= -0.221 (180deg=-2.39) USER MOD ----------------------------------------------------------------- ATOM 44 N TYR A 5 69.800 13.212 0.625 1.00 0.88 N ATOM 45 CA TYR A 5 70.439 12.054 -0.061 1.00 0.86 C ATOM 46 C TYR A 5 69.845 11.880 -1.460 1.00 0.78 C ATOM 47 O TYR A 5 70.513 11.451 -2.381 1.00 0.79 O ATOM 48 CB TYR A 5 70.116 10.842 0.815 1.00 1.02 C ATOM 49 CG TYR A 5 70.336 11.196 2.267 1.00 1.22 C ATOM 50 CD1 TYR A 5 71.592 11.639 2.696 1.00 1.64 C ATOM 51 CD2 TYR A 5 69.283 11.084 3.183 1.00 1.94 C ATOM 52 CE1 TYR A 5 71.796 11.970 4.041 1.00 1.80 C ATOM 53 CE2 TYR A 5 69.486 11.415 4.528 1.00 2.20 C ATOM 54 CZ TYR A 5 70.743 11.858 4.957 1.00 1.77 C ATOM 55 OH TYR A 5 70.944 12.184 6.283 1.00 2.07 O ATOM 0 HA TYR A 5 71.514 12.189 -0.185 1.00 0.86 H new ATOM 0 HB2 TYR A 5 69.083 10.532 0.658 1.00 1.02 H new ATOM 0 HB3 TYR A 5 70.748 9.999 0.535 1.00 1.02 H new ATOM 0 HD1 TYR A 5 72.404 11.726 1.989 1.00 1.64 H new ATOM 0 HD2 TYR A 5 68.314 10.742 2.852 1.00 1.94 H new ATOM 0 HE1 TYR A 5 72.766 12.312 4.372 1.00 1.80 H new ATOM 0 HE2 TYR A 5 68.674 11.329 5.234 1.00 2.20 H new ATOM 0 HH TYR A 5 70.111 12.051 6.782 1.00 2.07 H new ATOM 65 N LYS A 6 68.594 12.212 -1.630 1.00 0.89 N ATOM 66 CA LYS A 6 67.962 12.068 -2.972 1.00 1.01 C ATOM 67 C LYS A 6 68.823 12.759 -4.032 1.00 0.98 C ATOM 68 O LYS A 6 69.030 12.241 -5.111 1.00 1.00 O ATOM 69 CB LYS A 6 66.604 12.760 -2.849 1.00 1.28 C ATOM 70 CG LYS A 6 65.498 11.795 -3.279 1.00 1.60 C ATOM 71 CD LYS A 6 65.374 11.808 -4.804 1.00 2.04 C ATOM 72 CE LYS A 6 64.782 10.480 -5.280 1.00 2.60 C ATOM 73 NZ LYS A 6 65.157 10.387 -6.719 1.00 3.24 N ATOM 0 H LYS A 6 67.983 12.576 -0.899 1.00 0.89 H new ATOM 0 HA LYS A 6 67.859 11.025 -3.272 1.00 1.01 H new ATOM 0 HB2 LYS A 6 66.440 13.082 -1.821 1.00 1.28 H new ATOM 0 HB3 LYS A 6 66.582 13.655 -3.471 1.00 1.28 H new ATOM 0 HG2 LYS A 6 65.724 10.787 -2.930 1.00 1.60 H new ATOM 0 HG3 LYS A 6 64.551 12.085 -2.824 1.00 1.60 H new ATOM 0 HD2 LYS A 6 64.739 12.635 -5.121 1.00 2.04 H new ATOM 0 HD3 LYS A 6 66.353 11.965 -5.258 1.00 2.04 H new ATOM 0 HE2 LYS A 6 65.185 9.642 -4.712 1.00 2.60 H new ATOM 0 HE3 LYS A 6 63.700 10.461 -5.152 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 64.786 9.501 -7.118 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 64.754 11.195 -7.236 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 66.193 10.400 -6.809 1.00 3.24 H new ATOM 87 N ALA A 7 69.330 13.923 -3.729 1.00 1.07 N ATOM 88 CA ALA A 7 70.182 14.644 -4.718 1.00 1.20 C ATOM 89 C ALA A 7 71.349 13.753 -5.152 1.00 1.08 C ATOM 90 O ALA A 7 71.814 13.823 -6.272 1.00 1.19 O ATOM 91 CB ALA A 7 70.695 15.876 -3.974 1.00 1.36 C ATOM 0 H ALA A 7 69.192 14.405 -2.841 1.00 1.07 H new ATOM 0 HA ALA A 7 69.634 14.914 -5.621 1.00 1.20 H new ATOM 0 HB1 ALA A 7 71.333 16.462 -4.636 1.00 1.36 H new ATOM 0 HB2 ALA A 7 69.850 16.485 -3.652 1.00 1.36 H new ATOM 0 HB3 ALA A 7 71.269 15.562 -3.102 1.00 1.36 H new ATOM 97 N ALA A 8 71.823 12.913 -4.272 1.00 0.95 N ATOM 98 CA ALA A 8 72.957 12.015 -4.633 1.00 0.96 C ATOM 99 C ALA A 8 72.455 10.862 -5.506 1.00 0.90 C ATOM 100 O ALA A 8 73.027 10.554 -6.532 1.00 1.01 O ATOM 101 CB ALA A 8 73.487 11.488 -3.300 1.00 0.98 C ATOM 0 H ALA A 8 71.474 12.810 -3.319 1.00 0.95 H new ATOM 0 HA ALA A 8 73.731 12.532 -5.201 1.00 0.96 H new ATOM 0 HB1 ALA A 8 74.327 10.817 -3.482 1.00 0.98 H new ATOM 0 HB2 ALA A 8 73.818 12.324 -2.684 1.00 0.98 H new ATOM 0 HB3 ALA A 8 72.695 10.946 -2.782 1.00 0.98 H new ATOM 107 N VAL A 9 71.388 10.225 -5.108 1.00 0.83 N ATOM 108 CA VAL A 9 70.850 9.095 -5.919 1.00 0.82 C ATOM 109 C VAL A 9 70.458 9.591 -7.312 1.00 0.97 C ATOM 110 O VAL A 9 70.667 8.919 -8.303 1.00 1.02 O ATOM 111 CB VAL A 9 69.619 8.609 -5.154 1.00 0.84 C ATOM 112 CG1 VAL A 9 68.844 7.611 -6.016 1.00 1.05 C ATOM 113 CG2 VAL A 9 70.063 7.926 -3.858 1.00 0.70 C ATOM 0 H VAL A 9 70.866 10.437 -4.258 1.00 0.83 H new ATOM 0 HA VAL A 9 71.581 8.298 -6.058 1.00 0.82 H new ATOM 0 HB VAL A 9 68.978 9.459 -4.917 1.00 0.84 H new ATOM 0 HG11 VAL A 9 67.966 7.264 -5.471 1.00 1.05 H new ATOM 0 HG12 VAL A 9 68.529 8.096 -6.940 1.00 1.05 H new ATOM 0 HG13 VAL A 9 69.484 6.761 -6.252 1.00 1.05 H new ATOM 0 HG21 VAL A 9 69.186 7.579 -3.311 1.00 0.70 H new ATOM 0 HG22 VAL A 9 70.703 7.076 -4.095 1.00 0.70 H new ATOM 0 HG23 VAL A 9 70.616 8.636 -3.244 1.00 0.70 H new ATOM 123 N GLU A 10 69.895 10.765 -7.397 1.00 1.12 N ATOM 124 CA GLU A 10 69.496 11.304 -8.728 1.00 1.32 C ATOM 125 C GLU A 10 70.702 11.317 -9.670 1.00 1.37 C ATOM 126 O GLU A 10 70.562 11.406 -10.874 1.00 1.56 O ATOM 127 CB GLU A 10 69.016 12.730 -8.450 1.00 1.51 C ATOM 128 CG GLU A 10 67.514 12.826 -8.721 1.00 1.80 C ATOM 129 CD GLU A 10 67.137 14.284 -8.991 1.00 2.02 C ATOM 130 OE1 GLU A 10 67.345 14.734 -10.105 1.00 2.28 O ATOM 131 OE2 GLU A 10 66.646 14.927 -8.077 1.00 2.61 O ATOM 0 H GLU A 10 69.694 11.374 -6.604 1.00 1.12 H new ATOM 0 HA GLU A 10 68.724 10.702 -9.206 1.00 1.32 H new ATOM 0 HB2 GLU A 10 69.227 13.001 -7.416 1.00 1.51 H new ATOM 0 HB3 GLU A 10 69.556 13.436 -9.081 1.00 1.51 H new ATOM 0 HG2 GLU A 10 67.248 12.206 -9.577 1.00 1.80 H new ATOM 0 HG3 GLU A 10 66.954 12.447 -7.866 1.00 1.80 H new ATOM 138 N GLN A 11 71.887 11.231 -9.130 1.00 1.29 N ATOM 139 CA GLN A 11 73.102 11.238 -9.992 1.00 1.45 C ATOM 140 C GLN A 11 73.534 9.804 -10.312 1.00 1.35 C ATOM 141 O GLN A 11 74.268 9.561 -11.249 1.00 1.53 O ATOM 142 CB GLN A 11 74.173 11.946 -9.162 1.00 1.61 C ATOM 143 CG GLN A 11 73.853 13.440 -9.080 1.00 2.13 C ATOM 144 CD GLN A 11 74.663 14.074 -7.948 1.00 2.44 C ATOM 145 OE1 GLN A 11 75.233 13.379 -7.131 1.00 2.96 O ATOM 146 NE2 GLN A 11 74.738 15.374 -7.865 1.00 2.71 N ATOM 0 H GLN A 11 72.066 11.156 -8.129 1.00 1.29 H new ATOM 0 HA GLN A 11 72.928 11.737 -10.945 1.00 1.45 H new ATOM 0 HB2 GLN A 11 74.214 11.517 -8.161 1.00 1.61 H new ATOM 0 HB3 GLN A 11 75.154 11.798 -9.613 1.00 1.61 H new ATOM 0 HG2 GLN A 11 74.089 13.926 -10.027 1.00 2.13 H new ATOM 0 HG3 GLN A 11 72.787 13.585 -8.904 1.00 2.13 H new ATOM 0 HE21 GLN A 11 74.259 15.957 -8.551 1.00 2.71 H new ATOM 0 HE22 GLN A 11 75.275 15.807 -7.114 1.00 2.71 H new ATOM 155 N LEU A 12 73.082 8.851 -9.542 1.00 1.18 N ATOM 156 CA LEU A 12 73.468 7.436 -9.805 1.00 1.21 C ATOM 157 C LEU A 12 73.389 7.138 -11.304 1.00 1.11 C ATOM 158 O LEU A 12 72.666 7.782 -12.038 1.00 1.25 O ATOM 159 CB LEU A 12 72.445 6.592 -9.043 1.00 1.32 C ATOM 160 CG LEU A 12 72.951 6.322 -7.624 1.00 1.38 C ATOM 161 CD1 LEU A 12 72.001 5.349 -6.923 1.00 1.49 C ATOM 162 CD2 LEU A 12 74.350 5.706 -7.686 1.00 1.68 C ATOM 0 H LEU A 12 72.463 8.991 -8.744 1.00 1.18 H new ATOM 0 HA LEU A 12 74.489 7.224 -9.487 1.00 1.21 H new ATOM 0 HB2 LEU A 12 71.487 7.111 -9.005 1.00 1.32 H new ATOM 0 HB3 LEU A 12 72.276 5.650 -9.564 1.00 1.32 H new ATOM 0 HG LEU A 12 72.991 7.260 -7.070 1.00 1.38 H new ATOM 0 HD11 LEU A 12 72.360 5.155 -5.912 1.00 1.49 H new ATOM 0 HD12 LEU A 12 71.003 5.785 -6.877 1.00 1.49 H new ATOM 0 HD13 LEU A 12 71.963 4.413 -7.480 1.00 1.49 H new ATOM 0 HD21 LEU A 12 74.708 5.515 -6.675 1.00 1.68 H new ATOM 0 HD22 LEU A 12 74.310 4.768 -8.241 1.00 1.68 H new ATOM 0 HD23 LEU A 12 75.029 6.396 -8.187 1.00 1.68 H new ATOM 174 N THR A 13 74.124 6.163 -11.764 1.00 1.05 N ATOM 175 CA THR A 13 74.088 5.824 -13.215 1.00 1.13 C ATOM 176 C THR A 13 72.827 5.012 -13.531 1.00 0.94 C ATOM 177 O THR A 13 72.333 4.271 -12.706 1.00 0.87 O ATOM 178 CB THR A 13 75.342 4.982 -13.455 1.00 1.38 C ATOM 179 OG1 THR A 13 75.158 3.691 -12.890 1.00 1.89 O ATOM 180 CG2 THR A 13 76.546 5.660 -12.801 1.00 1.68 C ATOM 0 H THR A 13 74.747 5.587 -11.199 1.00 1.05 H new ATOM 0 HA THR A 13 74.066 6.710 -13.849 1.00 1.13 H new ATOM 0 HB THR A 13 75.519 4.889 -14.527 1.00 1.38 H new ATOM 0 HG1 THR A 13 75.960 3.149 -13.044 1.00 1.89 H new ATOM 0 HG21 THR A 13 77.439 5.059 -12.972 1.00 1.68 H new ATOM 0 HG22 THR A 13 76.686 6.650 -13.235 1.00 1.68 H new ATOM 0 HG23 THR A 13 76.373 5.754 -11.729 1.00 1.68 H new ATOM 188 N GLU A 14 72.306 5.145 -14.720 1.00 0.94 N ATOM 189 CA GLU A 14 71.080 4.379 -15.083 1.00 0.90 C ATOM 190 C GLU A 14 71.269 2.896 -14.749 1.00 0.82 C ATOM 191 O GLU A 14 70.316 2.158 -14.599 1.00 0.82 O ATOM 192 CB GLU A 14 70.923 4.577 -16.593 1.00 1.05 C ATOM 193 CG GLU A 14 69.701 3.801 -17.088 1.00 2.10 C ATOM 194 CD GLU A 14 69.995 3.215 -18.470 1.00 2.64 C ATOM 195 OE1 GLU A 14 71.098 3.408 -18.952 1.00 2.91 O ATOM 196 OE2 GLU A 14 69.110 2.583 -19.024 1.00 3.31 O ATOM 0 H GLU A 14 72.675 5.749 -15.454 1.00 0.94 H new ATOM 0 HA GLU A 14 70.200 4.718 -14.536 1.00 0.90 H new ATOM 0 HB2 GLU A 14 70.810 5.637 -16.821 1.00 1.05 H new ATOM 0 HB3 GLU A 14 71.819 4.233 -17.110 1.00 1.05 H new ATOM 0 HG2 GLU A 14 69.455 3.003 -16.387 1.00 2.10 H new ATOM 0 HG3 GLU A 14 68.834 4.460 -17.137 1.00 2.10 H new ATOM 203 N GLU A 15 72.492 2.456 -14.630 1.00 0.92 N ATOM 204 CA GLU A 15 72.742 1.023 -14.304 1.00 1.01 C ATOM 205 C GLU A 15 72.476 0.758 -12.818 1.00 0.90 C ATOM 206 O GLU A 15 71.925 -0.260 -12.450 1.00 0.89 O ATOM 207 CB GLU A 15 74.219 0.794 -14.633 1.00 1.23 C ATOM 208 CG GLU A 15 74.369 -0.486 -15.456 1.00 1.92 C ATOM 209 CD GLU A 15 75.809 -0.994 -15.355 1.00 2.37 C ATOM 210 OE1 GLU A 15 76.439 -0.731 -14.345 1.00 2.90 O ATOM 211 OE2 GLU A 15 76.257 -1.638 -16.291 1.00 2.80 O ATOM 0 H GLU A 15 73.329 3.027 -14.744 1.00 0.92 H new ATOM 0 HA GLU A 15 72.089 0.354 -14.865 1.00 1.01 H new ATOM 0 HB2 GLU A 15 74.614 1.644 -15.189 1.00 1.23 H new ATOM 0 HB3 GLU A 15 74.799 0.717 -13.713 1.00 1.23 H new ATOM 0 HG2 GLU A 15 73.678 -1.247 -15.093 1.00 1.92 H new ATOM 0 HG3 GLU A 15 74.113 -0.293 -16.498 1.00 1.92 H new ATOM 218 N GLN A 16 72.864 1.666 -11.961 1.00 0.89 N ATOM 219 CA GLN A 16 72.631 1.459 -10.503 1.00 0.87 C ATOM 220 C GLN A 16 71.131 1.461 -10.201 1.00 0.68 C ATOM 221 O GLN A 16 70.666 0.768 -9.318 1.00 0.67 O ATOM 222 CB GLN A 16 73.317 2.643 -9.819 1.00 0.97 C ATOM 223 CG GLN A 16 74.836 2.488 -9.927 1.00 1.77 C ATOM 224 CD GLN A 16 75.258 1.152 -9.313 1.00 2.15 C ATOM 225 OE1 GLN A 16 75.618 0.232 -10.022 1.00 2.42 O ATOM 226 NE2 GLN A 16 75.230 1.004 -8.017 1.00 2.61 N ATOM 0 H GLN A 16 73.331 2.539 -12.208 1.00 0.89 H new ATOM 0 HA GLN A 16 73.024 0.504 -10.155 1.00 0.87 H new ATOM 0 HB2 GLN A 16 73.003 3.577 -10.284 1.00 0.97 H new ATOM 0 HB3 GLN A 16 73.020 2.693 -8.771 1.00 0.97 H new ATOM 0 HG2 GLN A 16 75.143 2.533 -10.972 1.00 1.77 H new ATOM 0 HG3 GLN A 16 75.334 3.310 -9.412 1.00 1.77 H new ATOM 0 HE21 GLN A 16 74.928 1.776 -7.422 1.00 2.61 H new ATOM 0 HE22 GLN A 16 75.510 0.117 -7.599 1.00 2.61 H new ATOM 235 N LYS A 17 70.370 2.234 -10.927 1.00 0.63 N ATOM 236 CA LYS A 17 68.900 2.278 -10.680 1.00 0.62 C ATOM 237 C LYS A 17 68.233 1.026 -11.251 1.00 0.60 C ATOM 238 O LYS A 17 67.183 0.610 -10.802 1.00 0.66 O ATOM 239 CB LYS A 17 68.414 3.528 -11.412 1.00 0.74 C ATOM 240 CG LYS A 17 68.919 4.774 -10.684 1.00 1.21 C ATOM 241 CD LYS A 17 68.414 6.027 -11.402 1.00 1.31 C ATOM 242 CE LYS A 17 69.183 7.250 -10.899 1.00 1.43 C ATOM 243 NZ LYS A 17 68.668 8.389 -11.710 1.00 2.06 N ATOM 0 H LYS A 17 70.702 2.837 -11.680 1.00 0.63 H new ATOM 0 HA LYS A 17 68.658 2.309 -9.618 1.00 0.62 H new ATOM 0 HB2 LYS A 17 68.775 3.523 -12.441 1.00 0.74 H new ATOM 0 HB3 LYS A 17 67.325 3.536 -11.456 1.00 0.74 H new ATOM 0 HG2 LYS A 17 68.572 4.770 -9.651 1.00 1.21 H new ATOM 0 HG3 LYS A 17 70.009 4.774 -10.654 1.00 1.21 H new ATOM 0 HD2 LYS A 17 68.545 5.920 -12.479 1.00 1.31 H new ATOM 0 HD3 LYS A 17 67.347 6.156 -11.222 1.00 1.31 H new ATOM 0 HE2 LYS A 17 69.012 7.414 -9.835 1.00 1.43 H new ATOM 0 HE3 LYS A 17 70.257 7.124 -11.033 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 69.149 9.265 -11.423 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 68.851 8.208 -12.718 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 67.644 8.490 -11.557 1.00 2.06 H new ATOM 257 N ASN A 18 68.834 0.420 -12.239 1.00 0.70 N ATOM 258 CA ASN A 18 68.234 -0.806 -12.837 1.00 0.85 C ATOM 259 C ASN A 18 68.461 -2.007 -11.915 1.00 0.70 C ATOM 260 O ASN A 18 67.630 -2.888 -11.811 1.00 0.66 O ATOM 261 CB ASN A 18 68.971 -1.001 -14.164 1.00 1.11 C ATOM 262 CG ASN A 18 68.218 -0.270 -15.276 1.00 1.68 C ATOM 263 OD1 ASN A 18 67.006 -0.194 -15.258 1.00 2.15 O ATOM 264 ND2 ASN A 18 68.891 0.276 -16.252 1.00 2.13 N ATOM 0 H ASN A 18 69.714 0.721 -12.657 1.00 0.70 H new ATOM 0 HA ASN A 18 67.157 -0.713 -12.979 1.00 0.85 H new ATOM 0 HB2 ASN A 18 69.989 -0.619 -14.087 1.00 1.11 H new ATOM 0 HB3 ASN A 18 69.046 -2.063 -14.398 1.00 1.11 H new ATOM 0 HD21 ASN A 18 68.399 0.766 -16.999 1.00 2.13 H new ATOM 0 HD22 ASN A 18 69.909 0.213 -16.268 1.00 2.13 H new ATOM 271 N GLU A 19 69.579 -2.047 -11.244 1.00 0.76 N ATOM 272 CA GLU A 19 69.859 -3.189 -10.328 1.00 0.79 C ATOM 273 C GLU A 19 69.121 -2.994 -8.999 1.00 0.65 C ATOM 274 O GLU A 19 68.640 -3.936 -8.402 1.00 0.66 O ATOM 275 CB GLU A 19 71.373 -3.157 -10.109 1.00 0.98 C ATOM 276 CG GLU A 19 71.970 -4.518 -10.473 1.00 1.21 C ATOM 277 CD GLU A 19 71.598 -5.543 -9.399 1.00 1.82 C ATOM 278 OE1 GLU A 19 71.149 -5.128 -8.344 1.00 2.44 O ATOM 279 OE2 GLU A 19 71.769 -6.723 -9.651 1.00 2.53 O ATOM 0 H GLU A 19 70.311 -1.338 -11.290 1.00 0.76 H new ATOM 0 HA GLU A 19 69.526 -4.141 -10.740 1.00 0.79 H new ATOM 0 HB2 GLU A 19 71.823 -2.375 -10.721 1.00 0.98 H new ATOM 0 HB3 GLU A 19 71.596 -2.916 -9.069 1.00 0.98 H new ATOM 0 HG2 GLU A 19 71.597 -4.842 -11.445 1.00 1.21 H new ATOM 0 HG3 GLU A 19 73.054 -4.441 -10.557 1.00 1.21 H new ATOM 286 N PHE A 20 69.030 -1.778 -8.535 1.00 0.67 N ATOM 287 CA PHE A 20 68.322 -1.524 -7.248 1.00 0.75 C ATOM 288 C PHE A 20 66.807 -1.560 -7.464 1.00 0.66 C ATOM 289 O PHE A 20 66.109 -2.383 -6.903 1.00 0.79 O ATOM 290 CB PHE A 20 68.769 -0.126 -6.819 1.00 0.97 C ATOM 291 CG PHE A 20 70.191 -0.183 -6.313 1.00 1.44 C ATOM 292 CD1 PHE A 20 70.589 -1.216 -5.455 1.00 2.24 C ATOM 293 CD2 PHE A 20 71.112 0.797 -6.703 1.00 2.35 C ATOM 294 CE1 PHE A 20 71.906 -1.269 -4.987 1.00 3.29 C ATOM 295 CE2 PHE A 20 72.430 0.744 -6.235 1.00 3.36 C ATOM 296 CZ PHE A 20 72.827 -0.289 -5.376 1.00 3.69 C ATOM 0 H PHE A 20 69.415 -0.950 -8.990 1.00 0.67 H new ATOM 0 HA PHE A 20 68.554 -2.275 -6.493 1.00 0.75 H new ATOM 0 HB2 PHE A 20 68.699 0.564 -7.660 1.00 0.97 H new ATOM 0 HB3 PHE A 20 68.110 0.255 -6.039 1.00 0.97 H new ATOM 0 HD1 PHE A 20 69.879 -1.972 -5.155 1.00 2.24 H new ATOM 0 HD2 PHE A 20 70.805 1.594 -7.365 1.00 2.35 H new ATOM 0 HE1 PHE A 20 72.212 -2.066 -4.326 1.00 3.29 H new ATOM 0 HE2 PHE A 20 73.141 1.499 -6.536 1.00 3.36 H new ATOM 0 HZ PHE A 20 73.844 -0.329 -5.014 1.00 3.69 H new ATOM 306 N LYS A 21 66.293 -0.677 -8.275 1.00 0.60 N ATOM 307 CA LYS A 21 64.824 -0.663 -8.527 1.00 0.65 C ATOM 308 C LYS A 21 64.327 -2.081 -8.821 1.00 0.57 C ATOM 309 O LYS A 21 63.383 -2.555 -8.221 1.00 0.57 O ATOM 310 CB LYS A 21 64.644 0.232 -9.752 1.00 0.78 C ATOM 311 CG LYS A 21 63.206 0.747 -9.802 1.00 1.27 C ATOM 312 CD LYS A 21 63.056 1.724 -10.968 1.00 1.58 C ATOM 313 CE LYS A 21 63.477 3.124 -10.517 1.00 2.42 C ATOM 314 NZ LYS A 21 64.105 3.742 -11.718 1.00 2.88 N ATOM 0 H LYS A 21 66.826 0.035 -8.774 1.00 0.60 H new ATOM 0 HA LYS A 21 64.259 -0.299 -7.669 1.00 0.65 H new ATOM 0 HB2 LYS A 21 65.340 1.070 -9.709 1.00 0.78 H new ATOM 0 HB3 LYS A 21 64.873 -0.326 -10.660 1.00 0.78 H new ATOM 0 HG2 LYS A 21 62.514 -0.086 -9.920 1.00 1.27 H new ATOM 0 HG3 LYS A 21 62.952 1.241 -8.864 1.00 1.27 H new ATOM 0 HD2 LYS A 21 63.670 1.401 -11.809 1.00 1.58 H new ATOM 0 HD3 LYS A 21 62.023 1.737 -11.315 1.00 1.58 H new ATOM 0 HE2 LYS A 21 62.619 3.704 -10.177 1.00 2.42 H new ATOM 0 HE3 LYS A 21 64.179 3.076 -9.685 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 64.420 4.706 -11.488 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 64.923 3.172 -12.014 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 63.411 3.780 -12.492 1.00 2.88 H new ATOM 328 N ALA A 22 64.957 -2.759 -9.740 1.00 0.59 N ATOM 329 CA ALA A 22 64.525 -4.146 -10.075 1.00 0.62 C ATOM 330 C ALA A 22 64.506 -5.015 -8.814 1.00 0.50 C ATOM 331 O ALA A 22 63.506 -5.617 -8.479 1.00 0.50 O ATOM 332 CB ALA A 22 65.574 -4.657 -11.063 1.00 0.76 C ATOM 0 H ALA A 22 65.754 -2.412 -10.275 1.00 0.59 H new ATOM 0 HA ALA A 22 63.519 -4.176 -10.494 1.00 0.62 H new ATOM 0 HB1 ALA A 22 65.328 -5.676 -11.360 1.00 0.76 H new ATOM 0 HB2 ALA A 22 65.587 -4.015 -11.944 1.00 0.76 H new ATOM 0 HB3 ALA A 22 66.556 -4.644 -10.590 1.00 0.76 H new ATOM 338 N ALA A 23 65.603 -5.082 -8.112 1.00 0.50 N ATOM 339 CA ALA A 23 65.645 -5.911 -6.873 1.00 0.53 C ATOM 340 C ALA A 23 64.454 -5.571 -5.973 1.00 0.46 C ATOM 341 O ALA A 23 63.682 -6.431 -5.599 1.00 0.52 O ATOM 342 CB ALA A 23 66.958 -5.534 -6.187 1.00 0.64 C ATOM 0 H ALA A 23 66.472 -4.599 -8.342 1.00 0.50 H new ATOM 0 HA ALA A 23 65.590 -6.978 -7.087 1.00 0.53 H new ATOM 0 HB1 ALA A 23 67.063 -6.104 -5.264 1.00 0.64 H new ATOM 0 HB2 ALA A 23 67.793 -5.760 -6.850 1.00 0.64 H new ATOM 0 HB3 ALA A 23 66.956 -4.468 -5.957 1.00 0.64 H new ATOM 348 N PHE A 24 64.301 -4.323 -5.625 1.00 0.47 N ATOM 349 CA PHE A 24 63.160 -3.928 -4.749 1.00 0.57 C ATOM 350 C PHE A 24 61.857 -4.545 -5.263 1.00 0.48 C ATOM 351 O PHE A 24 61.053 -5.045 -4.501 1.00 0.51 O ATOM 352 CB PHE A 24 63.103 -2.403 -4.841 1.00 0.77 C ATOM 353 CG PHE A 24 61.914 -1.900 -4.061 1.00 0.90 C ATOM 354 CD1 PHE A 24 60.635 -1.945 -4.630 1.00 1.58 C ATOM 355 CD2 PHE A 24 62.088 -1.391 -2.770 1.00 1.54 C ATOM 356 CE1 PHE A 24 59.531 -1.481 -3.906 1.00 1.72 C ATOM 357 CE2 PHE A 24 60.985 -0.928 -2.045 1.00 1.62 C ATOM 358 CZ PHE A 24 59.705 -0.973 -2.613 1.00 1.25 C ATOM 0 H PHE A 24 64.916 -3.560 -5.909 1.00 0.47 H new ATOM 0 HA PHE A 24 63.289 -4.272 -3.723 1.00 0.57 H new ATOM 0 HB2 PHE A 24 64.021 -1.969 -4.446 1.00 0.77 H new ATOM 0 HB3 PHE A 24 63.026 -2.093 -5.883 1.00 0.77 H new ATOM 0 HD1 PHE A 24 60.501 -2.338 -5.627 1.00 1.58 H new ATOM 0 HD2 PHE A 24 63.075 -1.355 -2.332 1.00 1.54 H new ATOM 0 HE1 PHE A 24 58.545 -1.515 -4.345 1.00 1.72 H new ATOM 0 HE2 PHE A 24 61.120 -0.536 -1.048 1.00 1.62 H new ATOM 0 HZ PHE A 24 58.853 -0.616 -2.054 1.00 1.25 H new ATOM 368 N ASP A 25 61.641 -4.511 -6.549 1.00 0.45 N ATOM 369 CA ASP A 25 60.386 -5.093 -7.109 1.00 0.53 C ATOM 370 C ASP A 25 60.405 -6.619 -6.990 1.00 0.52 C ATOM 371 O ASP A 25 59.381 -7.249 -6.815 1.00 0.60 O ATOM 372 CB ASP A 25 60.377 -4.669 -8.578 1.00 0.66 C ATOM 373 CG ASP A 25 58.933 -4.596 -9.079 1.00 0.98 C ATOM 374 OD1 ASP A 25 58.040 -4.847 -8.287 1.00 1.55 O ATOM 375 OD2 ASP A 25 58.746 -4.292 -10.245 1.00 1.52 O ATOM 0 H ASP A 25 62.277 -4.107 -7.236 1.00 0.45 H new ATOM 0 HA ASP A 25 59.499 -4.748 -6.578 1.00 0.53 H new ATOM 0 HB2 ASP A 25 60.862 -3.699 -8.691 1.00 0.66 H new ATOM 0 HB3 ASP A 25 60.945 -5.381 -9.177 1.00 0.66 H new ATOM 380 N ILE A 26 61.561 -7.220 -7.085 1.00 0.50 N ATOM 381 CA ILE A 26 61.638 -8.706 -6.978 1.00 0.63 C ATOM 382 C ILE A 26 61.542 -9.140 -5.513 1.00 0.70 C ATOM 383 O ILE A 26 61.197 -10.265 -5.211 1.00 0.94 O ATOM 384 CB ILE A 26 63.005 -9.076 -7.554 1.00 0.68 C ATOM 385 CG1 ILE A 26 63.118 -8.543 -8.984 1.00 0.72 C ATOM 386 CG2 ILE A 26 63.158 -10.598 -7.565 1.00 0.94 C ATOM 387 CD1 ILE A 26 64.577 -8.607 -9.438 1.00 0.69 C ATOM 0 H ILE A 26 62.453 -6.748 -7.232 1.00 0.50 H new ATOM 0 HA ILE A 26 60.823 -9.198 -7.509 1.00 0.63 H new ATOM 0 HB ILE A 26 63.789 -8.635 -6.939 1.00 0.68 H new ATOM 0 HG12 ILE A 26 62.491 -9.132 -9.654 1.00 0.72 H new ATOM 0 HG13 ILE A 26 62.756 -7.516 -9.030 1.00 0.72 H new ATOM 0 HG21 ILE A 26 64.132 -10.863 -7.976 1.00 0.94 H new ATOM 0 HG22 ILE A 26 63.077 -10.979 -6.547 1.00 0.94 H new ATOM 0 HG23 ILE A 26 62.373 -11.038 -8.180 1.00 0.94 H new ATOM 0 HD11 ILE A 26 64.658 -8.227 -10.457 1.00 0.69 H new ATOM 0 HD12 ILE A 26 65.192 -7.999 -8.774 1.00 0.69 H new ATOM 0 HD13 ILE A 26 64.923 -9.640 -9.407 1.00 0.69 H new ATOM 399 N PHE A 27 61.852 -8.259 -4.601 1.00 0.61 N ATOM 400 CA PHE A 27 61.783 -8.627 -3.156 1.00 0.79 C ATOM 401 C PHE A 27 60.433 -8.212 -2.565 1.00 0.76 C ATOM 402 O PHE A 27 59.918 -8.846 -1.666 1.00 1.03 O ATOM 403 CB PHE A 27 62.920 -7.848 -2.495 1.00 0.91 C ATOM 404 CG PHE A 27 64.223 -8.578 -2.715 1.00 1.45 C ATOM 405 CD1 PHE A 27 64.469 -9.785 -2.050 1.00 2.07 C ATOM 406 CD2 PHE A 27 65.185 -8.049 -3.584 1.00 2.23 C ATOM 407 CE1 PHE A 27 65.676 -10.462 -2.254 1.00 2.83 C ATOM 408 CE2 PHE A 27 66.393 -8.726 -3.788 1.00 3.07 C ATOM 409 CZ PHE A 27 66.639 -9.934 -3.123 1.00 3.21 C ATOM 0 H PHE A 27 62.149 -7.302 -4.792 1.00 0.61 H new ATOM 0 HA PHE A 27 61.879 -9.701 -3.000 1.00 0.79 H new ATOM 0 HB2 PHE A 27 62.978 -6.843 -2.913 1.00 0.91 H new ATOM 0 HB3 PHE A 27 62.728 -7.738 -1.428 1.00 0.91 H new ATOM 0 HD1 PHE A 27 63.727 -10.193 -1.380 1.00 2.07 H new ATOM 0 HD2 PHE A 27 64.995 -7.118 -4.097 1.00 2.23 H new ATOM 0 HE1 PHE A 27 65.865 -11.393 -1.741 1.00 2.83 H new ATOM 0 HE2 PHE A 27 67.135 -8.317 -4.458 1.00 3.07 H new ATOM 0 HZ PHE A 27 67.570 -10.458 -3.280 1.00 3.21 H new ATOM 419 N VAL A 28 59.854 -7.155 -3.064 1.00 0.63 N ATOM 420 CA VAL A 28 58.540 -6.706 -2.530 1.00 0.65 C ATOM 421 C VAL A 28 57.449 -7.701 -2.938 1.00 0.65 C ATOM 422 O VAL A 28 56.359 -7.698 -2.402 1.00 0.74 O ATOM 423 CB VAL A 28 58.326 -5.321 -3.162 1.00 0.68 C ATOM 424 CG1 VAL A 28 56.851 -5.105 -3.514 1.00 1.10 C ATOM 425 CG2 VAL A 28 58.766 -4.254 -2.164 1.00 1.47 C ATOM 0 H VAL A 28 60.235 -6.584 -3.818 1.00 0.63 H new ATOM 0 HA VAL A 28 58.507 -6.653 -1.442 1.00 0.65 H new ATOM 0 HB VAL A 28 58.913 -5.255 -4.078 1.00 0.68 H new ATOM 0 HG11 VAL A 28 56.724 -4.118 -3.960 1.00 1.10 H new ATOM 0 HG12 VAL A 28 56.531 -5.868 -4.224 1.00 1.10 H new ATOM 0 HG13 VAL A 28 56.247 -5.175 -2.609 1.00 1.10 H new ATOM 0 HG21 VAL A 28 58.620 -3.266 -2.600 1.00 1.47 H new ATOM 0 HG22 VAL A 28 58.173 -4.341 -1.254 1.00 1.47 H new ATOM 0 HG23 VAL A 28 59.820 -4.392 -1.925 1.00 1.47 H new ATOM 435 N LEU A 29 57.741 -8.558 -3.876 1.00 0.92 N ATOM 436 CA LEU A 29 56.729 -9.559 -4.313 1.00 0.99 C ATOM 437 C LEU A 29 56.152 -10.282 -3.096 1.00 0.99 C ATOM 438 O LEU A 29 55.016 -10.712 -3.095 1.00 1.10 O ATOM 439 CB LEU A 29 57.505 -10.539 -5.186 1.00 1.43 C ATOM 440 CG LEU A 29 58.018 -9.822 -6.438 1.00 1.74 C ATOM 441 CD1 LEU A 29 58.488 -10.857 -7.461 1.00 2.11 C ATOM 442 CD2 LEU A 29 56.890 -8.984 -7.047 1.00 2.45 C ATOM 0 H LEU A 29 58.638 -8.608 -4.359 1.00 0.92 H new ATOM 0 HA LEU A 29 55.894 -9.103 -4.845 1.00 0.99 H new ATOM 0 HB2 LEU A 29 58.342 -10.956 -4.626 1.00 1.43 H new ATOM 0 HB3 LEU A 29 56.864 -11.374 -5.470 1.00 1.43 H new ATOM 0 HG LEU A 29 58.850 -9.171 -6.167 1.00 1.74 H new ATOM 0 HD11 LEU A 29 58.853 -10.347 -8.353 1.00 2.11 H new ATOM 0 HD12 LEU A 29 59.291 -11.456 -7.030 1.00 2.11 H new ATOM 0 HD13 LEU A 29 57.655 -11.507 -7.730 1.00 2.11 H new ATOM 0 HD21 LEU A 29 57.256 -8.474 -7.938 1.00 2.45 H new ATOM 0 HD22 LEU A 29 56.058 -9.635 -7.317 1.00 2.45 H new ATOM 0 HD23 LEU A 29 56.552 -8.246 -6.320 1.00 2.45 H new ATOM 454 N GLY A 30 56.929 -10.415 -2.059 1.00 1.16 N ATOM 455 CA GLY A 30 56.434 -11.105 -0.837 1.00 1.58 C ATOM 456 C GLY A 30 56.246 -10.077 0.276 1.00 1.39 C ATOM 457 O GLY A 30 55.742 -10.382 1.339 1.00 1.89 O ATOM 0 H GLY A 30 57.889 -10.074 -2.005 1.00 1.16 H new ATOM 0 HA2 GLY A 30 55.491 -11.609 -1.046 1.00 1.58 H new ATOM 0 HA3 GLY A 30 57.143 -11.872 -0.525 1.00 1.58 H new ATOM 461 N ALA A 31 56.647 -8.859 0.039 1.00 0.90 N ATOM 462 CA ALA A 31 56.490 -7.808 1.086 1.00 0.95 C ATOM 463 C ALA A 31 55.049 -7.791 1.603 1.00 1.15 C ATOM 464 O ALA A 31 54.233 -8.605 1.222 1.00 1.41 O ATOM 465 CB ALA A 31 56.823 -6.493 0.381 1.00 0.97 C ATOM 0 H ALA A 31 57.076 -8.545 -0.832 1.00 0.90 H new ATOM 0 HA ALA A 31 57.135 -7.982 1.947 1.00 0.95 H new ATOM 0 HB1 ALA A 31 56.730 -5.668 1.087 1.00 0.97 H new ATOM 0 HB2 ALA A 31 57.844 -6.532 0.001 1.00 0.97 H new ATOM 0 HB3 ALA A 31 56.133 -6.340 -0.449 1.00 0.97 H new ATOM 471 N GLU A 32 54.733 -6.868 2.469 1.00 1.35 N ATOM 472 CA GLU A 32 53.344 -6.797 3.009 1.00 1.90 C ATOM 473 C GLU A 32 52.724 -5.435 2.686 1.00 2.05 C ATOM 474 O GLU A 32 51.547 -5.213 2.889 1.00 2.79 O ATOM 475 CB GLU A 32 53.495 -6.976 4.520 1.00 2.37 C ATOM 476 CG GLU A 32 54.634 -6.090 5.029 1.00 2.44 C ATOM 477 CD GLU A 32 54.567 -6.000 6.555 1.00 2.83 C ATOM 478 OE1 GLU A 32 53.495 -5.725 7.066 1.00 3.24 O ATOM 479 OE2 GLU A 32 55.591 -6.206 7.187 1.00 3.29 O ATOM 0 H GLU A 32 55.375 -6.160 2.826 1.00 1.35 H new ATOM 0 HA GLU A 32 52.691 -7.554 2.575 1.00 1.90 H new ATOM 0 HB2 GLU A 32 52.564 -6.714 5.023 1.00 2.37 H new ATOM 0 HB3 GLU A 32 53.700 -8.021 4.754 1.00 2.37 H new ATOM 0 HG2 GLU A 32 55.595 -6.501 4.720 1.00 2.44 H new ATOM 0 HG3 GLU A 32 54.558 -5.095 4.592 1.00 2.44 H new ATOM 486 N ASP A 33 53.509 -4.524 2.184 1.00 1.80 N ATOM 487 CA ASP A 33 52.968 -3.176 1.844 1.00 2.11 C ATOM 488 C ASP A 33 53.813 -2.534 0.742 1.00 1.47 C ATOM 489 O ASP A 33 53.950 -1.328 0.674 1.00 1.80 O ATOM 490 CB ASP A 33 53.073 -2.369 3.139 1.00 3.12 C ATOM 491 CG ASP A 33 52.567 -0.946 2.894 1.00 3.68 C ATOM 492 OD1 ASP A 33 51.636 -0.794 2.120 1.00 4.12 O ATOM 493 OD2 ASP A 33 53.120 -0.032 3.486 1.00 4.09 O ATOM 0 H ASP A 33 54.503 -4.653 1.994 1.00 1.80 H new ATOM 0 HA ASP A 33 51.943 -3.221 1.475 1.00 2.11 H new ATOM 0 HB2 ASP A 33 52.487 -2.845 3.925 1.00 3.12 H new ATOM 0 HB3 ASP A 33 54.107 -2.345 3.483 1.00 3.12 H new ATOM 498 N GLY A 34 54.383 -3.330 -0.120 1.00 1.10 N ATOM 499 CA GLY A 34 55.221 -2.766 -1.215 1.00 1.40 C ATOM 500 C GLY A 34 56.487 -2.147 -0.619 1.00 1.17 C ATOM 501 O GLY A 34 56.915 -1.082 -1.015 1.00 1.39 O ATOM 0 H GLY A 34 54.305 -4.347 -0.113 1.00 1.10 H new ATOM 0 HA2 GLY A 34 55.486 -3.549 -1.925 1.00 1.40 H new ATOM 0 HA3 GLY A 34 54.659 -2.012 -1.766 1.00 1.40 H new ATOM 505 N SER A 35 57.088 -2.809 0.332 1.00 0.84 N ATOM 506 CA SER A 35 58.326 -2.259 0.955 1.00 0.70 C ATOM 507 C SER A 35 59.229 -3.404 1.422 1.00 0.67 C ATOM 508 O SER A 35 58.825 -4.549 1.462 1.00 0.80 O ATOM 509 CB SER A 35 57.838 -1.441 2.150 1.00 0.75 C ATOM 510 OG SER A 35 56.985 -0.401 1.688 1.00 1.04 O ATOM 0 H SER A 35 56.776 -3.706 0.704 1.00 0.84 H new ATOM 0 HA SER A 35 58.908 -1.655 0.259 1.00 0.70 H new ATOM 0 HB2 SER A 35 57.303 -2.082 2.851 1.00 0.75 H new ATOM 0 HB3 SER A 35 58.687 -1.019 2.688 1.00 0.75 H new ATOM 0 HG SER A 35 57.244 0.445 2.109 1.00 1.04 H new ATOM 516 N ILE A 36 60.449 -3.106 1.777 1.00 0.69 N ATOM 517 CA ILE A 36 61.372 -4.182 2.242 1.00 0.78 C ATOM 518 C ILE A 36 62.139 -3.720 3.480 1.00 0.71 C ATOM 519 O ILE A 36 63.130 -3.022 3.389 1.00 0.98 O ATOM 520 CB ILE A 36 62.342 -4.455 1.081 1.00 1.00 C ATOM 521 CG1 ILE A 36 62.539 -3.193 0.230 1.00 1.09 C ATOM 522 CG2 ILE A 36 61.775 -5.572 0.206 1.00 1.36 C ATOM 523 CD1 ILE A 36 63.338 -3.547 -1.025 1.00 1.22 C ATOM 0 H ILE A 36 60.846 -2.167 1.766 1.00 0.69 H new ATOM 0 HA ILE A 36 60.824 -5.084 2.515 1.00 0.78 H new ATOM 0 HB ILE A 36 63.307 -4.752 1.492 1.00 1.00 H new ATOM 0 HG12 ILE A 36 61.572 -2.773 -0.047 1.00 1.09 H new ATOM 0 HG13 ILE A 36 63.064 -2.431 0.806 1.00 1.09 H new ATOM 0 HG21 ILE A 36 62.459 -5.770 -0.619 1.00 1.36 H new ATOM 0 HG22 ILE A 36 61.655 -6.476 0.803 1.00 1.36 H new ATOM 0 HG23 ILE A 36 60.806 -5.268 -0.190 1.00 1.36 H new ATOM 0 HD11 ILE A 36 63.479 -2.652 -1.631 1.00 1.22 H new ATOM 0 HD12 ILE A 36 64.310 -3.947 -0.737 1.00 1.22 H new ATOM 0 HD13 ILE A 36 62.795 -4.295 -1.603 1.00 1.22 H new ATOM 535 N SER A 37 61.685 -4.105 4.639 1.00 0.87 N ATOM 536 CA SER A 37 62.380 -3.692 5.889 1.00 0.87 C ATOM 537 C SER A 37 63.612 -4.568 6.118 1.00 0.76 C ATOM 538 O SER A 37 63.884 -5.482 5.365 1.00 0.87 O ATOM 539 CB SER A 37 61.355 -3.910 7.006 1.00 1.12 C ATOM 540 OG SER A 37 60.097 -4.256 6.439 1.00 1.52 O ATOM 0 H SER A 37 60.860 -4.690 4.775 1.00 0.87 H new ATOM 0 HA SER A 37 62.724 -2.658 5.848 1.00 0.87 H new ATOM 0 HB2 SER A 37 61.694 -4.701 7.675 1.00 1.12 H new ATOM 0 HB3 SER A 37 61.258 -3.005 7.606 1.00 1.12 H new ATOM 0 HG SER A 37 59.443 -4.397 7.155 1.00 1.52 H new ATOM 546 N THR A 38 64.357 -4.295 7.153 1.00 0.71 N ATOM 547 CA THR A 38 65.573 -5.116 7.436 1.00 0.65 C ATOM 548 C THR A 38 65.277 -6.601 7.207 1.00 0.70 C ATOM 549 O THR A 38 66.162 -7.382 6.918 1.00 1.37 O ATOM 550 CB THR A 38 65.922 -4.854 8.907 1.00 0.76 C ATOM 551 OG1 THR A 38 66.640 -5.967 9.424 1.00 1.55 O ATOM 552 CG2 THR A 38 64.645 -4.651 9.723 1.00 1.00 C ATOM 0 H THR A 38 64.179 -3.540 7.816 1.00 0.71 H new ATOM 0 HA THR A 38 66.401 -4.851 6.778 1.00 0.65 H new ATOM 0 HB THR A 38 66.533 -3.954 8.974 1.00 0.76 H new ATOM 0 HG1 THR A 38 66.866 -5.803 10.363 1.00 1.55 H new ATOM 0 HG21 THR A 38 64.905 -4.466 10.765 1.00 1.00 H new ATOM 0 HG22 THR A 38 64.094 -3.797 9.329 1.00 1.00 H new ATOM 0 HG23 THR A 38 64.025 -5.545 9.657 1.00 1.00 H new ATOM 560 N LYS A 39 64.040 -6.999 7.333 1.00 0.60 N ATOM 561 CA LYS A 39 63.692 -8.433 7.122 1.00 0.66 C ATOM 562 C LYS A 39 63.675 -8.767 5.626 1.00 0.64 C ATOM 563 O LYS A 39 64.022 -9.861 5.223 1.00 0.87 O ATOM 564 CB LYS A 39 62.295 -8.592 7.722 1.00 0.81 C ATOM 565 CG LYS A 39 62.336 -9.635 8.839 1.00 1.42 C ATOM 566 CD LYS A 39 62.947 -10.930 8.303 1.00 1.58 C ATOM 567 CE LYS A 39 62.088 -12.119 8.747 1.00 2.15 C ATOM 568 NZ LYS A 39 62.543 -12.439 10.131 1.00 2.80 N ATOM 0 H LYS A 39 63.255 -6.393 7.573 1.00 0.60 H new ATOM 0 HA LYS A 39 64.416 -9.103 7.585 1.00 0.66 H new ATOM 0 HB2 LYS A 39 61.945 -7.637 8.114 1.00 0.81 H new ATOM 0 HB3 LYS A 39 61.589 -8.898 6.950 1.00 0.81 H new ATOM 0 HG2 LYS A 39 62.924 -9.263 9.678 1.00 1.42 H new ATOM 0 HG3 LYS A 39 61.330 -9.823 9.213 1.00 1.42 H new ATOM 0 HD2 LYS A 39 63.005 -10.895 7.215 1.00 1.58 H new ATOM 0 HD3 LYS A 39 63.966 -11.045 8.673 1.00 1.58 H new ATOM 0 HE2 LYS A 39 61.028 -11.866 8.730 1.00 2.15 H new ATOM 0 HE3 LYS A 39 62.223 -12.972 8.082 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 61.997 -13.244 10.498 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 63.554 -12.684 10.116 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 62.396 -11.612 10.745 1.00 2.80 H new ATOM 582 N GLU A 40 63.276 -7.839 4.797 1.00 0.63 N ATOM 583 CA GLU A 40 63.241 -8.115 3.333 1.00 0.68 C ATOM 584 C GLU A 40 64.503 -7.566 2.662 1.00 0.66 C ATOM 585 O GLU A 40 65.107 -8.213 1.829 1.00 0.83 O ATOM 586 CB GLU A 40 62.001 -7.382 2.820 1.00 0.86 C ATOM 587 CG GLU A 40 60.743 -8.162 3.207 1.00 1.05 C ATOM 588 CD GLU A 40 60.757 -9.528 2.520 1.00 1.54 C ATOM 589 OE1 GLU A 40 60.944 -9.561 1.315 1.00 2.32 O ATOM 590 OE2 GLU A 40 60.581 -10.519 3.210 1.00 1.92 O ATOM 0 H GLU A 40 62.974 -6.904 5.071 1.00 0.63 H new ATOM 0 HA GLU A 40 63.203 -9.182 3.115 1.00 0.68 H new ATOM 0 HB2 GLU A 40 61.961 -6.377 3.240 1.00 0.86 H new ATOM 0 HB3 GLU A 40 62.054 -7.273 1.737 1.00 0.86 H new ATOM 0 HG2 GLU A 40 60.699 -8.288 4.289 1.00 1.05 H new ATOM 0 HG3 GLU A 40 59.853 -7.605 2.914 1.00 1.05 H new ATOM 597 N LEU A 41 64.904 -6.377 3.020 1.00 0.73 N ATOM 598 CA LEU A 41 66.127 -5.785 2.404 1.00 0.80 C ATOM 599 C LEU A 41 67.348 -6.659 2.702 1.00 0.72 C ATOM 600 O LEU A 41 68.375 -6.547 2.062 1.00 0.81 O ATOM 601 CB LEU A 41 66.274 -4.414 3.066 1.00 1.10 C ATOM 602 CG LEU A 41 66.750 -3.395 2.030 1.00 1.23 C ATOM 603 CD1 LEU A 41 68.139 -3.790 1.527 1.00 1.94 C ATOM 604 CD2 LEU A 41 65.771 -3.370 0.854 1.00 1.83 C ATOM 0 H LEU A 41 64.439 -5.790 3.712 1.00 0.73 H new ATOM 0 HA LEU A 41 66.050 -5.711 1.319 1.00 0.80 H new ATOM 0 HB2 LEU A 41 65.320 -4.099 3.490 1.00 1.10 H new ATOM 0 HB3 LEU A 41 66.986 -4.471 3.890 1.00 1.10 H new ATOM 0 HG LEU A 41 66.796 -2.406 2.487 1.00 1.23 H new ATOM 0 HD11 LEU A 41 68.479 -3.064 0.788 1.00 1.94 H new ATOM 0 HD12 LEU A 41 68.837 -3.810 2.364 1.00 1.94 H new ATOM 0 HD13 LEU A 41 68.093 -4.778 1.070 1.00 1.94 H new ATOM 0 HD21 LEU A 41 66.109 -2.644 0.115 1.00 1.83 H new ATOM 0 HD22 LEU A 41 65.726 -4.359 0.397 1.00 1.83 H new ATOM 0 HD23 LEU A 41 64.780 -3.089 1.211 1.00 1.83 H new ATOM 616 N GLY A 42 67.245 -7.529 3.669 1.00 0.72 N ATOM 617 CA GLY A 42 68.400 -8.409 4.007 1.00 0.91 C ATOM 618 C GLY A 42 68.799 -9.229 2.779 1.00 0.78 C ATOM 619 O GLY A 42 69.884 -9.088 2.253 1.00 0.84 O ATOM 0 H GLY A 42 66.411 -7.669 4.240 1.00 0.72 H new ATOM 0 HA2 GLY A 42 69.243 -7.806 4.343 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.135 -9.073 4.830 1.00 0.91 H new ATOM 623 N LYS A 43 67.931 -10.088 2.320 1.00 0.77 N ATOM 624 CA LYS A 43 68.262 -10.920 1.128 1.00 0.86 C ATOM 625 C LYS A 43 68.721 -10.031 -0.032 1.00 0.79 C ATOM 626 O LYS A 43 69.529 -10.427 -0.847 1.00 0.99 O ATOM 627 CB LYS A 43 66.962 -11.639 0.770 1.00 0.95 C ATOM 628 CG LYS A 43 66.594 -12.622 1.883 1.00 1.34 C ATOM 629 CD LYS A 43 66.947 -14.046 1.448 1.00 2.13 C ATOM 630 CE LYS A 43 66.730 -15.007 2.619 1.00 2.65 C ATOM 631 NZ LYS A 43 65.906 -16.114 2.060 1.00 2.98 N ATOM 0 H LYS A 43 67.006 -10.250 2.719 1.00 0.77 H new ATOM 0 HA LYS A 43 69.073 -11.620 1.329 1.00 0.86 H new ATOM 0 HB2 LYS A 43 66.160 -10.914 0.632 1.00 0.95 H new ATOM 0 HB3 LYS A 43 67.077 -12.171 -0.175 1.00 0.95 H new ATOM 0 HG2 LYS A 43 67.129 -12.367 2.798 1.00 1.34 H new ATOM 0 HG3 LYS A 43 65.529 -12.552 2.106 1.00 1.34 H new ATOM 0 HD2 LYS A 43 66.328 -14.343 0.601 1.00 2.13 H new ATOM 0 HD3 LYS A 43 67.984 -14.089 1.116 1.00 2.13 H new ATOM 0 HE2 LYS A 43 67.679 -15.378 3.006 1.00 2.65 H new ATOM 0 HE3 LYS A 43 66.219 -14.513 3.446 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 65.715 -16.815 2.804 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 65.006 -15.732 1.705 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 66.421 -16.570 1.280 1.00 2.98 H new ATOM 645 N VAL A 44 68.210 -8.833 -0.114 1.00 0.72 N ATOM 646 CA VAL A 44 68.617 -7.922 -1.225 1.00 0.93 C ATOM 647 C VAL A 44 70.075 -7.489 -1.052 1.00 0.89 C ATOM 648 O VAL A 44 70.861 -7.543 -1.977 1.00 1.06 O ATOM 649 CB VAL A 44 67.684 -6.717 -1.110 1.00 1.18 C ATOM 650 CG1 VAL A 44 67.816 -5.849 -2.363 1.00 1.72 C ATOM 651 CG2 VAL A 44 66.239 -7.203 -0.977 1.00 1.80 C ATOM 0 H VAL A 44 67.529 -8.445 0.539 1.00 0.72 H new ATOM 0 HA VAL A 44 68.544 -8.404 -2.200 1.00 0.93 H new ATOM 0 HB VAL A 44 67.953 -6.131 -0.231 1.00 1.18 H new ATOM 0 HG11 VAL A 44 67.151 -4.989 -2.282 1.00 1.72 H new ATOM 0 HG12 VAL A 44 68.845 -5.504 -2.460 1.00 1.72 H new ATOM 0 HG13 VAL A 44 67.546 -6.435 -3.242 1.00 1.72 H new ATOM 0 HG21 VAL A 44 65.572 -6.344 -0.895 1.00 1.80 H new ATOM 0 HG22 VAL A 44 65.970 -7.789 -1.856 1.00 1.80 H new ATOM 0 HG23 VAL A 44 66.144 -7.823 -0.085 1.00 1.80 H new ATOM 661 N MET A 45 70.440 -7.057 0.124 1.00 0.86 N ATOM 662 CA MET A 45 71.848 -6.619 0.351 1.00 1.06 C ATOM 663 C MET A 45 72.822 -7.666 -0.195 1.00 1.08 C ATOM 664 O MET A 45 73.685 -7.366 -0.996 1.00 1.14 O ATOM 665 CB MET A 45 71.985 -6.503 1.869 1.00 1.34 C ATOM 666 CG MET A 45 71.942 -5.029 2.276 1.00 1.88 C ATOM 667 SD MET A 45 71.793 -4.905 4.075 1.00 2.45 S ATOM 668 CE MET A 45 72.225 -3.154 4.220 1.00 3.35 C ATOM 0 H MET A 45 69.827 -6.988 0.936 1.00 0.86 H new ATOM 0 HA MET A 45 72.075 -5.680 -0.153 1.00 1.06 H new ATOM 0 HB2 MET A 45 71.180 -7.050 2.360 1.00 1.34 H new ATOM 0 HB3 MET A 45 72.922 -6.954 2.195 1.00 1.34 H new ATOM 0 HG2 MET A 45 72.846 -4.521 1.939 1.00 1.88 H new ATOM 0 HG3 MET A 45 71.099 -4.532 1.795 1.00 1.88 H new ATOM 0 HE1 MET A 45 73.187 -3.057 4.723 1.00 3.35 H new ATOM 0 HE2 MET A 45 72.289 -2.712 3.226 1.00 3.35 H new ATOM 0 HE3 MET A 45 71.459 -2.637 4.798 1.00 3.35 H new ATOM 678 N ARG A 46 72.690 -8.891 0.234 1.00 1.20 N ATOM 679 CA ARG A 46 73.609 -9.956 -0.259 1.00 1.46 C ATOM 680 C ARG A 46 73.632 -9.974 -1.790 1.00 1.52 C ATOM 681 O ARG A 46 74.619 -10.330 -2.401 1.00 1.73 O ATOM 682 CB ARG A 46 73.026 -11.260 0.286 1.00 1.74 C ATOM 683 CG ARG A 46 74.161 -12.240 0.586 1.00 1.93 C ATOM 684 CD ARG A 46 73.665 -13.673 0.380 1.00 2.48 C ATOM 685 NE ARG A 46 74.570 -14.247 -0.654 1.00 2.64 N ATOM 686 CZ ARG A 46 74.068 -14.786 -1.732 1.00 3.08 C ATOM 687 NH1 ARG A 46 73.549 -14.028 -2.659 1.00 3.64 N ATOM 688 NH2 ARG A 46 74.087 -16.082 -1.882 1.00 3.41 N ATOM 0 H ARG A 46 71.986 -9.201 0.904 1.00 1.20 H new ATOM 0 HA ARG A 46 74.637 -9.799 0.068 1.00 1.46 H new ATOM 0 HB2 ARG A 46 72.452 -11.064 1.192 1.00 1.74 H new ATOM 0 HB3 ARG A 46 72.338 -11.695 -0.439 1.00 1.74 H new ATOM 0 HG2 ARG A 46 75.010 -12.040 -0.067 1.00 1.93 H new ATOM 0 HG3 ARG A 46 74.509 -12.108 1.611 1.00 1.93 H new ATOM 0 HD2 ARG A 46 73.712 -14.244 1.307 1.00 2.48 H new ATOM 0 HD3 ARG A 46 72.627 -13.688 0.048 1.00 2.48 H new ATOM 0 HE ARG A 46 75.581 -14.219 -0.520 1.00 2.64 H new ATOM 0 HH11 ARG A 46 73.536 -13.015 -2.541 1.00 3.64 H new ATOM 0 HH12 ARG A 46 73.157 -14.449 -3.501 1.00 3.64 H new ATOM 0 HH21 ARG A 46 74.494 -16.673 -1.157 1.00 3.41 H new ATOM 0 HH22 ARG A 46 73.695 -16.504 -2.724 1.00 3.41 H new ATOM 702 N MET A 47 72.551 -9.592 -2.416 1.00 1.46 N ATOM 703 CA MET A 47 72.517 -9.590 -3.907 1.00 1.73 C ATOM 704 C MET A 47 73.244 -8.356 -4.449 1.00 1.75 C ATOM 705 O MET A 47 73.948 -8.420 -5.437 1.00 2.01 O ATOM 706 CB MET A 47 71.034 -9.540 -4.277 1.00 1.70 C ATOM 707 CG MET A 47 70.253 -10.545 -3.427 1.00 1.96 C ATOM 708 SD MET A 47 69.554 -11.827 -4.497 1.00 1.94 S ATOM 709 CE MET A 47 68.713 -10.722 -5.659 1.00 1.52 C ATOM 0 H MET A 47 71.692 -9.282 -1.961 1.00 1.46 H new ATOM 0 HA MET A 47 73.011 -10.465 -4.329 1.00 1.73 H new ATOM 0 HB2 MET A 47 70.644 -8.535 -4.118 1.00 1.70 H new ATOM 0 HB3 MET A 47 70.906 -9.768 -5.335 1.00 1.70 H new ATOM 0 HG2 MET A 47 70.910 -10.996 -2.683 1.00 1.96 H new ATOM 0 HG3 MET A 47 69.457 -10.036 -2.883 1.00 1.96 H new ATOM 0 HE1 MET A 47 67.720 -11.114 -5.880 1.00 1.52 H new ATOM 0 HE2 MET A 47 68.622 -9.730 -5.217 1.00 1.52 H new ATOM 0 HE3 MET A 47 69.290 -10.656 -6.581 1.00 1.52 H new ATOM 719 N LEU A 48 73.075 -7.233 -3.807 1.00 1.60 N ATOM 720 CA LEU A 48 73.753 -5.993 -4.284 1.00 1.69 C ATOM 721 C LEU A 48 75.264 -6.096 -4.063 1.00 1.68 C ATOM 722 O LEU A 48 76.050 -5.858 -4.960 1.00 1.99 O ATOM 723 CB LEU A 48 73.164 -4.867 -3.432 1.00 1.73 C ATOM 724 CG LEU A 48 71.638 -4.884 -3.546 1.00 1.75 C ATOM 725 CD1 LEU A 48 71.053 -3.732 -2.727 1.00 1.86 C ATOM 726 CD2 LEU A 48 71.236 -4.720 -5.014 1.00 2.15 C ATOM 0 H LEU A 48 72.498 -7.120 -2.974 1.00 1.60 H new ATOM 0 HA LEU A 48 73.599 -5.823 -5.350 1.00 1.69 H new ATOM 0 HB2 LEU A 48 73.463 -4.990 -2.391 1.00 1.73 H new ATOM 0 HB3 LEU A 48 73.553 -3.904 -3.764 1.00 1.73 H new ATOM 0 HG LEU A 48 71.255 -5.831 -3.166 1.00 1.75 H new ATOM 0 HD11 LEU A 48 69.966 -3.743 -2.808 1.00 1.86 H new ATOM 0 HD12 LEU A 48 71.340 -3.846 -1.682 1.00 1.86 H new ATOM 0 HD13 LEU A 48 71.435 -2.785 -3.107 1.00 1.86 H new ATOM 0 HD21 LEU A 48 70.149 -4.732 -5.097 1.00 2.15 H new ATOM 0 HD22 LEU A 48 71.619 -3.772 -5.392 1.00 2.15 H new ATOM 0 HD23 LEU A 48 71.654 -5.539 -5.599 1.00 2.15 H new ATOM 738 N GLY A 49 75.677 -6.446 -2.877 1.00 1.63 N ATOM 739 CA GLY A 49 77.137 -6.562 -2.599 1.00 1.87 C ATOM 740 C GLY A 49 77.409 -6.197 -1.139 1.00 1.54 C ATOM 741 O GLY A 49 78.337 -5.475 -0.833 1.00 1.53 O ATOM 0 H GLY A 49 75.067 -6.657 -2.087 1.00 1.63 H new ATOM 0 HA2 GLY A 49 77.477 -7.578 -2.800 1.00 1.87 H new ATOM 0 HA3 GLY A 49 77.698 -5.902 -3.261 1.00 1.87 H new ATOM 745 N GLN A 50 76.605 -6.689 -0.236 1.00 1.37 N ATOM 746 CA GLN A 50 76.818 -6.369 1.204 1.00 1.17 C ATOM 747 C GLN A 50 76.687 -7.636 2.053 1.00 1.24 C ATOM 748 O GLN A 50 75.821 -8.459 1.830 1.00 1.75 O ATOM 749 CB GLN A 50 75.712 -5.373 1.557 1.00 1.29 C ATOM 750 CG GLN A 50 76.054 -4.001 0.973 1.00 1.28 C ATOM 751 CD GLN A 50 76.136 -2.972 2.102 1.00 1.41 C ATOM 752 OE1 GLN A 50 75.250 -2.891 2.931 1.00 1.89 O ATOM 753 NE2 GLN A 50 77.167 -2.176 2.169 1.00 1.85 N ATOM 0 H GLN A 50 75.811 -7.298 -0.433 1.00 1.37 H new ATOM 0 HA GLN A 50 77.811 -5.961 1.393 1.00 1.17 H new ATOM 0 HB2 GLN A 50 74.757 -5.720 1.163 1.00 1.29 H new ATOM 0 HB3 GLN A 50 75.604 -5.302 2.639 1.00 1.29 H new ATOM 0 HG2 GLN A 50 77.003 -4.047 0.439 1.00 1.28 H new ATOM 0 HG3 GLN A 50 75.296 -3.703 0.249 1.00 1.28 H new ATOM 0 HE21 GLN A 50 77.910 -2.244 1.474 1.00 1.85 H new ATOM 0 HE22 GLN A 50 77.230 -1.485 2.917 1.00 1.85 H new ATOM 762 N ASN A 51 77.541 -7.799 3.027 1.00 1.18 N ATOM 763 CA ASN A 51 77.466 -9.011 3.891 1.00 1.29 C ATOM 764 C ASN A 51 77.443 -8.605 5.367 1.00 1.07 C ATOM 765 O ASN A 51 78.183 -9.137 6.170 1.00 1.45 O ATOM 766 CB ASN A 51 78.733 -9.804 3.573 1.00 1.96 C ATOM 767 CG ASN A 51 78.623 -11.209 4.170 1.00 2.61 C ATOM 768 OD1 ASN A 51 78.936 -11.418 5.325 1.00 3.07 O ATOM 769 ND2 ASN A 51 78.185 -12.187 3.426 1.00 3.29 N ATOM 0 H ASN A 51 78.288 -7.145 3.262 1.00 1.18 H new ATOM 0 HA ASN A 51 76.564 -9.595 3.707 1.00 1.29 H new ATOM 0 HB2 ASN A 51 78.874 -9.866 2.494 1.00 1.96 H new ATOM 0 HB3 ASN A 51 79.606 -9.293 3.979 1.00 1.96 H new ATOM 0 HD21 ASN A 51 78.105 -13.127 3.814 1.00 3.29 H new ATOM 0 HD22 ASN A 51 77.922 -12.012 2.456 1.00 3.29 H new ATOM 776 N PRO A 52 76.590 -7.665 5.671 1.00 1.47 N ATOM 777 CA PRO A 52 76.464 -7.170 7.064 1.00 2.11 C ATOM 778 C PRO A 52 75.783 -8.218 7.948 1.00 1.79 C ATOM 779 O PRO A 52 75.125 -9.119 7.468 1.00 2.07 O ATOM 780 CB PRO A 52 75.589 -5.927 6.922 1.00 2.97 C ATOM 781 CG PRO A 52 74.811 -6.144 5.665 1.00 2.97 C ATOM 782 CD PRO A 52 75.671 -6.982 4.756 1.00 2.03 C ATOM 0 HA PRO A 52 77.426 -6.960 7.532 1.00 2.11 H new ATOM 0 HB2 PRO A 52 74.928 -5.810 7.780 1.00 2.97 H new ATOM 0 HB3 PRO A 52 76.195 -5.023 6.860 1.00 2.97 H new ATOM 0 HG2 PRO A 52 73.868 -6.648 5.877 1.00 2.97 H new ATOM 0 HG3 PRO A 52 74.565 -5.192 5.194 1.00 2.97 H new ATOM 0 HD2 PRO A 52 75.074 -7.693 4.185 1.00 2.03 H new ATOM 0 HD3 PRO A 52 76.209 -6.366 4.035 1.00 2.03 H new ATOM 790 N THR A 53 75.936 -8.105 9.240 1.00 1.42 N ATOM 791 CA THR A 53 75.299 -9.092 10.157 1.00 1.16 C ATOM 792 C THR A 53 73.879 -8.643 10.512 1.00 0.98 C ATOM 793 O THR A 53 73.456 -7.569 10.138 1.00 0.92 O ATOM 794 CB THR A 53 76.186 -9.104 11.403 1.00 1.19 C ATOM 795 OG1 THR A 53 76.981 -7.926 11.428 1.00 1.40 O ATOM 796 CG2 THR A 53 77.094 -10.334 11.376 1.00 1.36 C ATOM 0 H THR A 53 76.475 -7.371 9.700 1.00 1.42 H new ATOM 0 HA THR A 53 75.216 -10.081 9.707 1.00 1.16 H new ATOM 0 HB THR A 53 75.559 -9.139 12.294 1.00 1.19 H new ATOM 0 HG1 THR A 53 77.549 -7.931 12.227 1.00 1.40 H new ATOM 0 HG21 THR A 53 77.725 -10.340 12.265 1.00 1.36 H new ATOM 0 HG22 THR A 53 76.483 -11.237 11.358 1.00 1.36 H new ATOM 0 HG23 THR A 53 77.722 -10.303 10.486 1.00 1.36 H new ATOM 804 N PRO A 54 73.191 -9.489 11.232 1.00 0.99 N ATOM 805 CA PRO A 54 71.802 -9.178 11.649 1.00 1.04 C ATOM 806 C PRO A 54 71.799 -8.080 12.715 1.00 0.93 C ATOM 807 O PRO A 54 70.781 -7.479 13.000 1.00 0.94 O ATOM 808 CB PRO A 54 71.296 -10.501 12.218 1.00 1.19 C ATOM 809 CG PRO A 54 72.528 -11.234 12.642 1.00 1.18 C ATOM 810 CD PRO A 54 73.635 -10.798 11.719 1.00 1.10 C ATOM 0 HA PRO A 54 71.179 -8.807 10.835 1.00 1.04 H new ATOM 0 HB2 PRO A 54 70.624 -10.337 13.061 1.00 1.19 H new ATOM 0 HB3 PRO A 54 70.738 -11.065 11.470 1.00 1.19 H new ATOM 0 HG2 PRO A 54 72.776 -11.005 13.678 1.00 1.18 H new ATOM 0 HG3 PRO A 54 72.376 -12.312 12.581 1.00 1.18 H new ATOM 0 HD2 PRO A 54 74.588 -10.727 12.243 1.00 1.10 H new ATOM 0 HD3 PRO A 54 73.774 -11.503 10.900 1.00 1.10 H new ATOM 818 N GLU A 55 72.932 -7.809 13.305 1.00 0.98 N ATOM 819 CA GLU A 55 72.995 -6.745 14.348 1.00 1.08 C ATOM 820 C GLU A 55 73.101 -5.369 13.686 1.00 0.97 C ATOM 821 O GLU A 55 72.358 -4.460 13.996 1.00 1.01 O ATOM 822 CB GLU A 55 74.257 -7.053 15.153 1.00 1.28 C ATOM 823 CG GLU A 55 74.056 -6.624 16.608 1.00 2.15 C ATOM 824 CD GLU A 55 75.417 -6.437 17.280 1.00 2.57 C ATOM 825 OE1 GLU A 55 76.396 -6.309 16.563 1.00 2.81 O ATOM 826 OE2 GLU A 55 75.458 -6.427 18.499 1.00 3.14 O ATOM 0 H GLU A 55 73.816 -8.278 13.110 1.00 0.98 H new ATOM 0 HA GLU A 55 72.106 -6.728 14.979 1.00 1.08 H new ATOM 0 HB2 GLU A 55 74.480 -8.119 15.105 1.00 1.28 H new ATOM 0 HB3 GLU A 55 75.111 -6.529 14.724 1.00 1.28 H new ATOM 0 HG2 GLU A 55 73.488 -5.694 16.649 1.00 2.15 H new ATOM 0 HG3 GLU A 55 73.475 -7.376 17.143 1.00 2.15 H new ATOM 833 N GLU A 56 74.018 -5.212 12.771 1.00 0.92 N ATOM 834 CA GLU A 56 74.172 -3.897 12.084 1.00 0.94 C ATOM 835 C GLU A 56 72.948 -3.616 11.209 1.00 0.84 C ATOM 836 O GLU A 56 72.663 -2.486 10.866 1.00 0.94 O ATOM 837 CB GLU A 56 75.425 -4.046 11.221 1.00 1.06 C ATOM 838 CG GLU A 56 76.607 -3.365 11.913 1.00 1.60 C ATOM 839 CD GLU A 56 77.912 -4.020 11.458 1.00 1.83 C ATOM 840 OE1 GLU A 56 78.067 -5.208 11.690 1.00 2.08 O ATOM 841 OE2 GLU A 56 78.735 -3.323 10.887 1.00 2.50 O ATOM 0 H GLU A 56 74.668 -5.938 12.469 1.00 0.92 H new ATOM 0 HA GLU A 56 74.259 -3.069 12.787 1.00 0.94 H new ATOM 0 HB2 GLU A 56 75.644 -5.101 11.059 1.00 1.06 H new ATOM 0 HB3 GLU A 56 75.259 -3.601 10.240 1.00 1.06 H new ATOM 0 HG2 GLU A 56 76.619 -2.302 11.673 1.00 1.60 H new ATOM 0 HG3 GLU A 56 76.505 -3.447 12.995 1.00 1.60 H new ATOM 848 N LEU A 57 72.224 -4.638 10.844 1.00 0.73 N ATOM 849 CA LEU A 57 71.019 -4.434 9.989 1.00 0.78 C ATOM 850 C LEU A 57 70.111 -3.363 10.601 1.00 0.80 C ATOM 851 O LEU A 57 69.945 -2.291 10.055 1.00 0.89 O ATOM 852 CB LEU A 57 70.313 -5.790 9.971 1.00 0.85 C ATOM 853 CG LEU A 57 70.214 -6.297 8.532 1.00 0.84 C ATOM 854 CD1 LEU A 57 71.599 -6.269 7.884 1.00 1.30 C ATOM 855 CD2 LEU A 57 69.681 -7.731 8.533 1.00 1.10 C ATOM 0 H LEU A 57 72.414 -5.607 11.101 1.00 0.73 H new ATOM 0 HA LEU A 57 71.277 -4.095 8.986 1.00 0.78 H new ATOM 0 HB2 LEU A 57 70.863 -6.506 10.583 1.00 0.85 H new ATOM 0 HB3 LEU A 57 69.317 -5.699 10.405 1.00 0.85 H new ATOM 0 HG LEU A 57 69.536 -5.657 7.967 1.00 0.84 H new ATOM 0 HD11 LEU A 57 71.528 -6.631 6.858 1.00 1.30 H new ATOM 0 HD12 LEU A 57 71.980 -5.248 7.883 1.00 1.30 H new ATOM 0 HD13 LEU A 57 72.278 -6.909 8.448 1.00 1.30 H new ATOM 0 HD21 LEU A 57 69.610 -8.093 7.507 1.00 1.10 H new ATOM 0 HD22 LEU A 57 70.359 -8.371 9.098 1.00 1.10 H new ATOM 0 HD23 LEU A 57 68.694 -7.752 8.994 1.00 1.10 H new ATOM 867 N GLN A 58 69.522 -3.648 11.729 1.00 0.81 N ATOM 868 CA GLN A 58 68.622 -2.648 12.374 1.00 0.95 C ATOM 869 C GLN A 58 69.315 -1.284 12.450 1.00 0.99 C ATOM 870 O GLN A 58 68.744 -0.267 12.107 1.00 1.13 O ATOM 871 CB GLN A 58 68.364 -3.197 13.778 1.00 1.09 C ATOM 872 CG GLN A 58 67.413 -2.261 14.526 1.00 1.25 C ATOM 873 CD GLN A 58 66.195 -1.962 13.650 1.00 1.41 C ATOM 874 OE1 GLN A 58 65.218 -2.684 13.680 1.00 1.97 O ATOM 875 NE2 GLN A 58 66.211 -0.918 12.867 1.00 1.74 N ATOM 0 H GLN A 58 69.624 -4.529 12.233 1.00 0.81 H new ATOM 0 HA GLN A 58 67.697 -2.503 11.816 1.00 0.95 H new ATOM 0 HB2 GLN A 58 67.933 -4.196 13.716 1.00 1.09 H new ATOM 0 HB3 GLN A 58 69.304 -3.289 14.322 1.00 1.09 H new ATOM 0 HG2 GLN A 58 67.096 -2.720 15.463 1.00 1.25 H new ATOM 0 HG3 GLN A 58 67.926 -1.334 14.783 1.00 1.25 H new ATOM 0 HE21 GLN A 58 67.031 -0.312 12.842 1.00 1.74 H new ATOM 0 HE22 GLN A 58 65.403 -0.708 12.280 1.00 1.74 H new ATOM 884 N GLU A 59 70.539 -1.252 12.899 1.00 0.97 N ATOM 885 CA GLU A 59 71.264 0.048 12.998 1.00 1.14 C ATOM 886 C GLU A 59 71.485 0.639 11.603 1.00 1.11 C ATOM 887 O GLU A 59 71.717 1.823 11.450 1.00 1.18 O ATOM 888 CB GLU A 59 72.603 -0.294 13.653 1.00 1.23 C ATOM 889 CG GLU A 59 72.366 -0.735 15.099 1.00 1.60 C ATOM 890 CD GLU A 59 72.745 0.403 16.049 1.00 2.19 C ATOM 891 OE1 GLU A 59 71.963 1.330 16.174 1.00 2.77 O ATOM 892 OE2 GLU A 59 73.813 0.327 16.635 1.00 2.75 O ATOM 0 H GLU A 59 71.069 -2.069 13.202 1.00 0.97 H new ATOM 0 HA GLU A 59 70.706 0.788 13.572 1.00 1.14 H new ATOM 0 HB2 GLU A 59 73.100 -1.088 13.096 1.00 1.23 H new ATOM 0 HB3 GLU A 59 73.263 0.573 13.630 1.00 1.23 H new ATOM 0 HG2 GLU A 59 71.320 -1.008 15.240 1.00 1.60 H new ATOM 0 HG3 GLU A 59 72.960 -1.622 15.322 1.00 1.60 H new ATOM 899 N MET A 60 71.414 -0.174 10.584 1.00 1.11 N ATOM 900 CA MET A 60 71.621 0.344 9.201 1.00 1.18 C ATOM 901 C MET A 60 70.407 1.163 8.753 1.00 1.13 C ATOM 902 O MET A 60 70.530 2.306 8.359 1.00 1.25 O ATOM 903 CB MET A 60 71.773 -0.905 8.332 1.00 1.22 C ATOM 904 CG MET A 60 72.876 -0.675 7.297 1.00 1.62 C ATOM 905 SD MET A 60 72.334 0.573 6.104 1.00 1.82 S ATOM 906 CE MET A 60 73.611 0.266 4.859 1.00 2.02 C ATOM 0 H MET A 60 71.222 -1.174 10.649 1.00 1.11 H new ATOM 0 HA MET A 60 72.489 1.000 9.132 1.00 1.18 H new ATOM 0 HB2 MET A 60 72.017 -1.766 8.954 1.00 1.22 H new ATOM 0 HB3 MET A 60 70.831 -1.130 7.832 1.00 1.22 H new ATOM 0 HG2 MET A 60 73.791 -0.348 7.791 1.00 1.62 H new ATOM 0 HG3 MET A 60 73.108 -1.608 6.783 1.00 1.62 H new ATOM 0 HE1 MET A 60 73.849 1.197 4.345 1.00 2.02 H new ATOM 0 HE2 MET A 60 74.507 -0.120 5.345 1.00 2.02 H new ATOM 0 HE3 MET A 60 73.247 -0.465 4.137 1.00 2.02 H new ATOM 916 N ILE A 61 69.237 0.588 8.810 1.00 1.04 N ATOM 917 CA ILE A 61 68.016 1.332 8.386 1.00 1.11 C ATOM 918 C ILE A 61 67.713 2.464 9.373 1.00 1.23 C ATOM 919 O ILE A 61 67.614 3.616 8.999 1.00 1.40 O ATOM 920 CB ILE A 61 66.896 0.288 8.395 1.00 1.13 C ATOM 921 CG1 ILE A 61 66.988 -0.562 7.126 1.00 1.17 C ATOM 922 CG2 ILE A 61 65.535 0.987 8.439 1.00 1.36 C ATOM 923 CD1 ILE A 61 67.325 -2.005 7.503 1.00 1.14 C ATOM 0 H ILE A 61 69.073 -0.366 9.132 1.00 1.04 H new ATOM 0 HA ILE A 61 68.132 1.795 7.406 1.00 1.11 H new ATOM 0 HB ILE A 61 67.002 -0.348 9.274 1.00 1.13 H new ATOM 0 HG12 ILE A 61 66.043 -0.528 6.583 1.00 1.17 H new ATOM 0 HG13 ILE A 61 67.753 -0.160 6.461 1.00 1.17 H new ATOM 0 HG21 ILE A 61 64.742 0.239 8.445 1.00 1.36 H new ATOM 0 HG22 ILE A 61 65.467 1.595 9.341 1.00 1.36 H new ATOM 0 HG23 ILE A 61 65.425 1.625 7.562 1.00 1.36 H new ATOM 0 HD11 ILE A 61 67.391 -2.611 6.600 1.00 1.14 H new ATOM 0 HD12 ILE A 61 68.280 -2.030 8.027 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.545 -2.403 8.151 1.00 1.14 H new ATOM 935 N ASP A 62 67.563 2.143 10.631 1.00 1.23 N ATOM 936 CA ASP A 62 67.262 3.199 11.643 1.00 1.43 C ATOM 937 C ASP A 62 68.097 4.453 11.373 1.00 1.48 C ATOM 938 O ASP A 62 67.652 5.563 11.581 1.00 1.67 O ATOM 939 CB ASP A 62 67.647 2.579 12.987 1.00 1.51 C ATOM 940 CG ASP A 62 66.456 2.659 13.945 1.00 1.54 C ATOM 941 OD1 ASP A 62 65.502 3.343 13.617 1.00 2.13 O ATOM 942 OD2 ASP A 62 66.520 2.033 14.992 1.00 1.79 O ATOM 0 H ASP A 62 67.636 1.196 11.002 1.00 1.23 H new ATOM 0 HA ASP A 62 66.216 3.506 11.617 1.00 1.43 H new ATOM 0 HB2 ASP A 62 67.947 1.540 12.848 1.00 1.51 H new ATOM 0 HB3 ASP A 62 68.504 3.104 13.410 1.00 1.51 H new ATOM 947 N GLU A 63 69.305 4.285 10.910 1.00 1.41 N ATOM 948 CA GLU A 63 70.164 5.469 10.628 1.00 1.52 C ATOM 949 C GLU A 63 69.657 6.202 9.383 1.00 1.47 C ATOM 950 O GLU A 63 69.466 7.402 9.392 1.00 1.80 O ATOM 951 CB GLU A 63 71.560 4.897 10.383 1.00 1.55 C ATOM 952 CG GLU A 63 72.458 5.213 11.580 1.00 2.11 C ATOM 953 CD GLU A 63 73.211 6.521 11.322 1.00 2.26 C ATOM 954 OE1 GLU A 63 73.060 7.064 10.240 1.00 2.93 O ATOM 955 OE2 GLU A 63 73.925 6.956 12.209 1.00 2.32 O ATOM 0 H GLU A 63 69.734 3.380 10.715 1.00 1.41 H new ATOM 0 HA GLU A 63 70.158 6.189 11.446 1.00 1.52 H new ATOM 0 HB2 GLU A 63 71.502 3.819 10.233 1.00 1.55 H new ATOM 0 HB3 GLU A 63 71.985 5.323 9.474 1.00 1.55 H new ATOM 0 HG2 GLU A 63 71.858 5.299 12.486 1.00 2.11 H new ATOM 0 HG3 GLU A 63 73.165 4.400 11.742 1.00 2.11 H new ATOM 962 N VAL A 64 69.438 5.489 8.313 1.00 1.33 N ATOM 963 CA VAL A 64 68.941 6.144 7.069 1.00 1.29 C ATOM 964 C VAL A 64 67.420 6.312 7.130 1.00 1.21 C ATOM 965 O VAL A 64 66.814 6.895 6.252 1.00 1.50 O ATOM 966 CB VAL A 64 69.336 5.193 5.936 1.00 1.40 C ATOM 967 CG1 VAL A 64 70.777 4.723 6.139 1.00 1.69 C ATOM 968 CG2 VAL A 64 68.403 3.979 5.937 1.00 1.31 C ATOM 0 H VAL A 64 69.581 4.481 8.246 1.00 1.33 H new ATOM 0 HA VAL A 64 69.362 7.140 6.929 1.00 1.29 H new ATOM 0 HB VAL A 64 69.254 5.716 4.983 1.00 1.40 H new ATOM 0 HG11 VAL A 64 71.056 4.046 5.331 1.00 1.69 H new ATOM 0 HG12 VAL A 64 71.444 5.585 6.137 1.00 1.69 H new ATOM 0 HG13 VAL A 64 70.859 4.203 7.093 1.00 1.69 H new ATOM 0 HG21 VAL A 64 68.685 3.303 5.130 1.00 1.31 H new ATOM 0 HG22 VAL A 64 68.484 3.459 6.891 1.00 1.31 H new ATOM 0 HG23 VAL A 64 67.375 4.310 5.790 1.00 1.31 H new ATOM 978 N ASP A 65 66.797 5.801 8.157 1.00 1.27 N ATOM 979 CA ASP A 65 65.316 5.929 8.269 1.00 1.38 C ATOM 980 C ASP A 65 64.947 7.191 9.054 1.00 2.07 C ATOM 981 O ASP A 65 65.332 7.361 10.193 1.00 2.61 O ATOM 982 CB ASP A 65 64.867 4.680 9.027 1.00 1.38 C ATOM 983 CG ASP A 65 63.447 4.307 8.600 1.00 1.66 C ATOM 984 OD1 ASP A 65 63.063 4.673 7.502 1.00 1.47 O ATOM 985 OD2 ASP A 65 62.766 3.660 9.381 1.00 2.59 O ATOM 0 H ASP A 65 67.249 5.301 8.923 1.00 1.27 H new ATOM 0 HA ASP A 65 64.837 6.011 7.294 1.00 1.38 H new ATOM 0 HB2 ASP A 65 65.548 3.854 8.824 1.00 1.38 H new ATOM 0 HB3 ASP A 65 64.899 4.862 10.101 1.00 1.38 H new ATOM 990 N GLU A 66 64.199 8.076 8.453 1.00 2.65 N ATOM 991 CA GLU A 66 63.801 9.323 9.165 1.00 3.74 C ATOM 992 C GLU A 66 62.598 9.049 10.071 1.00 4.00 C ATOM 993 O GLU A 66 62.118 9.924 10.765 1.00 4.93 O ATOM 994 CB GLU A 66 63.427 10.308 8.059 1.00 4.58 C ATOM 995 CG GLU A 66 64.536 10.337 7.005 1.00 5.25 C ATOM 996 CD GLU A 66 65.134 11.743 6.930 1.00 6.17 C ATOM 997 OE1 GLU A 66 65.009 12.472 7.901 1.00 6.67 O ATOM 998 OE2 GLU A 66 65.709 12.067 5.905 1.00 6.61 O ATOM 0 H GLU A 66 63.847 7.989 7.500 1.00 2.65 H new ATOM 0 HA GLU A 66 64.597 9.710 9.801 1.00 3.74 H new ATOM 0 HB2 GLU A 66 62.483 10.015 7.601 1.00 4.58 H new ATOM 0 HB3 GLU A 66 63.283 11.304 8.478 1.00 4.58 H new ATOM 0 HG2 GLU A 66 65.311 9.614 7.258 1.00 5.25 H new ATOM 0 HG3 GLU A 66 64.136 10.048 6.033 1.00 5.25 H new ATOM 1005 N ASP A 67 62.105 7.840 10.069 1.00 3.32 N ATOM 1006 CA ASP A 67 60.933 7.510 10.927 1.00 3.69 C ATOM 1007 C ASP A 67 61.320 6.455 11.968 1.00 3.25 C ATOM 1008 O ASP A 67 60.521 6.067 12.797 1.00 3.49 O ATOM 1009 CB ASP A 67 59.885 6.954 9.964 1.00 3.68 C ATOM 1010 CG ASP A 67 60.543 5.943 9.024 1.00 3.08 C ATOM 1011 OD1 ASP A 67 60.715 4.807 9.434 1.00 2.33 O ATOM 1012 OD2 ASP A 67 60.865 6.321 7.910 1.00 3.83 O ATOM 0 H ASP A 67 62.464 7.067 9.509 1.00 3.32 H new ATOM 0 HA ASP A 67 60.564 8.376 11.476 1.00 3.69 H new ATOM 0 HB2 ASP A 67 59.079 6.477 10.522 1.00 3.68 H new ATOM 0 HB3 ASP A 67 59.438 7.765 9.388 1.00 3.68 H new ATOM 1017 N GLY A 68 62.537 5.989 11.930 1.00 2.98 N ATOM 1018 CA GLY A 68 62.971 4.958 12.915 1.00 3.17 C ATOM 1019 C GLY A 68 61.943 3.826 12.953 1.00 2.42 C ATOM 1020 O GLY A 68 61.134 3.740 13.855 1.00 3.05 O ATOM 0 H GLY A 68 63.250 6.277 11.260 1.00 2.98 H new ATOM 0 HA2 GLY A 68 63.950 4.566 12.640 1.00 3.17 H new ATOM 0 HA3 GLY A 68 63.073 5.405 13.904 1.00 3.17 H new ATOM 1024 N SER A 69 61.968 2.956 11.980 1.00 1.46 N ATOM 1025 CA SER A 69 60.990 1.832 11.962 1.00 1.52 C ATOM 1026 C SER A 69 61.671 0.537 11.507 1.00 1.64 C ATOM 1027 O SER A 69 61.395 -0.532 12.013 1.00 2.49 O ATOM 1028 CB SER A 69 59.920 2.256 10.957 1.00 2.44 C ATOM 1029 OG SER A 69 60.529 2.485 9.693 1.00 2.71 O ATOM 0 H SER A 69 62.623 2.975 11.198 1.00 1.46 H new ATOM 0 HA SER A 69 60.571 1.637 12.949 1.00 1.52 H new ATOM 0 HB2 SER A 69 59.157 1.482 10.872 1.00 2.44 H new ATOM 0 HB3 SER A 69 59.419 3.160 11.302 1.00 2.44 H new ATOM 0 HG SER A 69 60.995 3.347 9.706 1.00 2.71 H new ATOM 1035 N GLY A 70 62.557 0.624 10.551 1.00 1.28 N ATOM 1036 CA GLY A 70 63.251 -0.599 10.061 1.00 1.43 C ATOM 1037 C GLY A 70 62.717 -0.965 8.674 1.00 1.29 C ATOM 1038 O GLY A 70 63.023 -2.011 8.138 1.00 1.59 O ATOM 0 H GLY A 70 62.829 1.491 10.088 1.00 1.28 H new ATOM 0 HA2 GLY A 70 64.326 -0.427 10.015 1.00 1.43 H new ATOM 0 HA3 GLY A 70 63.090 -1.424 10.754 1.00 1.43 H new ATOM 1042 N THR A 71 61.917 -0.113 8.091 1.00 0.89 N ATOM 1043 CA THR A 71 61.360 -0.417 6.741 1.00 0.79 C ATOM 1044 C THR A 71 62.100 0.380 5.663 1.00 0.76 C ATOM 1045 O THR A 71 62.715 1.392 5.935 1.00 0.83 O ATOM 1046 CB THR A 71 59.895 0.014 6.815 1.00 0.84 C ATOM 1047 OG1 THR A 71 59.826 1.406 7.092 1.00 1.45 O ATOM 1048 CG2 THR A 71 59.188 -0.767 7.924 1.00 1.08 C ATOM 0 H THR A 71 61.625 0.779 8.490 1.00 0.89 H new ATOM 0 HA THR A 71 61.466 -1.470 6.480 1.00 0.79 H new ATOM 0 HB THR A 71 59.406 -0.190 5.863 1.00 0.84 H new ATOM 0 HG1 THR A 71 59.959 1.556 8.051 1.00 1.45 H new ATOM 0 HG21 THR A 71 58.144 -0.460 7.977 1.00 1.08 H new ATOM 0 HG22 THR A 71 59.242 -1.834 7.709 1.00 1.08 H new ATOM 0 HG23 THR A 71 59.674 -0.565 8.878 1.00 1.08 H new ATOM 1056 N VAL A 72 62.044 -0.072 4.438 1.00 0.73 N ATOM 1057 CA VAL A 72 62.741 0.656 3.338 1.00 0.77 C ATOM 1058 C VAL A 72 61.950 0.524 2.034 1.00 0.80 C ATOM 1059 O VAL A 72 61.792 -0.556 1.500 1.00 1.00 O ATOM 1060 CB VAL A 72 64.103 -0.026 3.214 1.00 0.85 C ATOM 1061 CG1 VAL A 72 64.750 0.352 1.880 1.00 1.13 C ATOM 1062 CG2 VAL A 72 65.005 0.432 4.362 1.00 1.13 C ATOM 0 H VAL A 72 61.545 -0.914 4.152 1.00 0.73 H new ATOM 0 HA VAL A 72 62.838 1.722 3.542 1.00 0.77 H new ATOM 0 HB VAL A 72 63.971 -1.107 3.258 1.00 0.85 H new ATOM 0 HG11 VAL A 72 65.721 -0.136 1.795 1.00 1.13 H new ATOM 0 HG12 VAL A 72 64.109 0.029 1.060 1.00 1.13 H new ATOM 0 HG13 VAL A 72 64.882 1.433 1.833 1.00 1.13 H new ATOM 0 HG21 VAL A 72 65.977 -0.053 4.276 1.00 1.13 H new ATOM 0 HG22 VAL A 72 65.133 1.513 4.315 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.548 0.162 5.314 1.00 1.13 H new ATOM 1072 N ASP A 73 61.451 1.614 1.518 1.00 0.77 N ATOM 1073 CA ASP A 73 60.670 1.549 0.249 1.00 0.83 C ATOM 1074 C ASP A 73 61.575 1.868 -0.946 1.00 0.87 C ATOM 1075 O ASP A 73 62.778 1.709 -0.883 1.00 0.87 O ATOM 1076 CB ASP A 73 59.579 2.611 0.395 1.00 0.85 C ATOM 1077 CG ASP A 73 58.964 2.528 1.793 1.00 1.80 C ATOM 1078 OD1 ASP A 73 58.041 1.749 1.967 1.00 2.57 O ATOM 1079 OD2 ASP A 73 59.427 3.244 2.666 1.00 2.47 O ATOM 0 H ASP A 73 61.550 2.546 1.920 1.00 0.77 H new ATOM 0 HA ASP A 73 60.250 0.558 0.075 1.00 0.83 H new ATOM 0 HB2 ASP A 73 59.999 3.603 0.230 1.00 0.85 H new ATOM 0 HB3 ASP A 73 58.809 2.461 -0.361 1.00 0.85 H new ATOM 1084 N PHE A 74 61.007 2.314 -2.032 1.00 0.94 N ATOM 1085 CA PHE A 74 61.836 2.641 -3.226 1.00 0.98 C ATOM 1086 C PHE A 74 62.685 3.887 -2.957 1.00 0.86 C ATOM 1087 O PHE A 74 63.577 4.218 -3.712 1.00 0.83 O ATOM 1088 CB PHE A 74 60.830 2.910 -4.346 1.00 1.12 C ATOM 1089 CG PHE A 74 61.555 3.451 -5.555 1.00 1.33 C ATOM 1090 CD1 PHE A 74 62.847 3.002 -5.855 1.00 1.97 C ATOM 1091 CD2 PHE A 74 60.938 4.403 -6.375 1.00 2.22 C ATOM 1092 CE1 PHE A 74 63.520 3.503 -6.976 1.00 2.84 C ATOM 1093 CE2 PHE A 74 61.610 4.904 -7.496 1.00 3.01 C ATOM 1094 CZ PHE A 74 62.902 4.453 -7.797 1.00 3.18 C ATOM 0 H PHE A 74 60.005 2.466 -2.144 1.00 0.94 H new ATOM 0 HA PHE A 74 62.526 1.836 -3.482 1.00 0.98 H new ATOM 0 HB2 PHE A 74 60.304 1.991 -4.605 1.00 1.12 H new ATOM 0 HB3 PHE A 74 60.078 3.624 -4.010 1.00 1.12 H new ATOM 0 HD1 PHE A 74 63.324 2.269 -5.222 1.00 1.97 H new ATOM 0 HD2 PHE A 74 59.942 4.751 -6.143 1.00 2.22 H new ATOM 0 HE1 PHE A 74 64.516 3.156 -7.207 1.00 2.84 H new ATOM 0 HE2 PHE A 74 61.133 5.638 -8.129 1.00 3.01 H new ATOM 0 HZ PHE A 74 63.421 4.838 -8.662 1.00 3.18 H new ATOM 1104 N ASP A 75 62.415 4.580 -1.884 1.00 0.83 N ATOM 1105 CA ASP A 75 63.208 5.803 -1.569 1.00 0.76 C ATOM 1106 C ASP A 75 64.264 5.492 -0.504 1.00 0.69 C ATOM 1107 O ASP A 75 65.443 5.696 -0.707 1.00 0.65 O ATOM 1108 CB ASP A 75 62.188 6.808 -1.035 1.00 0.81 C ATOM 1109 CG ASP A 75 62.731 8.228 -1.208 1.00 0.99 C ATOM 1110 OD1 ASP A 75 63.872 8.358 -1.616 1.00 1.49 O ATOM 1111 OD2 ASP A 75 61.994 9.160 -0.931 1.00 1.57 O ATOM 0 H ASP A 75 61.681 4.353 -1.213 1.00 0.83 H new ATOM 0 HA ASP A 75 63.741 6.185 -2.440 1.00 0.76 H new ATOM 0 HB2 ASP A 75 61.243 6.701 -1.568 1.00 0.81 H new ATOM 0 HB3 ASP A 75 61.984 6.611 0.018 1.00 0.81 H new ATOM 1116 N GLU A 76 63.848 4.999 0.631 1.00 0.77 N ATOM 1117 CA GLU A 76 64.829 4.676 1.708 1.00 0.78 C ATOM 1118 C GLU A 76 65.969 3.824 1.145 1.00 0.70 C ATOM 1119 O GLU A 76 67.118 3.990 1.506 1.00 0.70 O ATOM 1120 CB GLU A 76 64.032 3.884 2.745 1.00 0.95 C ATOM 1121 CG GLU A 76 62.830 4.712 3.207 1.00 1.51 C ATOM 1122 CD GLU A 76 62.393 4.244 4.596 1.00 1.45 C ATOM 1123 OE1 GLU A 76 63.183 3.590 5.256 1.00 1.94 O ATOM 1124 OE2 GLU A 76 61.274 4.549 4.976 1.00 1.72 O ATOM 0 H GLU A 76 62.873 4.806 0.859 1.00 0.77 H new ATOM 0 HA GLU A 76 65.281 5.570 2.137 1.00 0.78 H new ATOM 0 HB2 GLU A 76 63.694 2.941 2.316 1.00 0.95 H new ATOM 0 HB3 GLU A 76 64.666 3.638 3.597 1.00 0.95 H new ATOM 0 HG2 GLU A 76 63.092 5.770 3.233 1.00 1.51 H new ATOM 0 HG3 GLU A 76 62.007 4.605 2.500 1.00 1.51 H new ATOM 1131 N PHE A 77 65.663 2.913 0.262 1.00 0.72 N ATOM 1132 CA PHE A 77 66.733 2.053 -0.323 1.00 0.73 C ATOM 1133 C PHE A 77 67.803 2.920 -0.990 1.00 0.67 C ATOM 1134 O PHE A 77 68.938 2.962 -0.559 1.00 0.69 O ATOM 1135 CB PHE A 77 66.021 1.182 -1.360 1.00 0.84 C ATOM 1136 CG PHE A 77 66.725 -0.150 -1.473 1.00 0.97 C ATOM 1137 CD1 PHE A 77 68.084 -0.257 -1.150 1.00 1.83 C ATOM 1138 CD2 PHE A 77 66.018 -1.280 -1.902 1.00 1.32 C ATOM 1139 CE1 PHE A 77 68.734 -1.492 -1.256 1.00 2.03 C ATOM 1140 CE2 PHE A 77 66.669 -2.515 -2.007 1.00 1.48 C ATOM 1141 CZ PHE A 77 68.027 -2.621 -1.684 1.00 1.46 C ATOM 0 H PHE A 77 64.720 2.727 -0.080 1.00 0.72 H new ATOM 0 HA PHE A 77 67.239 1.452 0.433 1.00 0.73 H new ATOM 0 HB2 PHE A 77 64.981 1.032 -1.071 1.00 0.84 H new ATOM 0 HB3 PHE A 77 66.013 1.684 -2.328 1.00 0.84 H new ATOM 0 HD1 PHE A 77 68.630 0.614 -0.819 1.00 1.83 H new ATOM 0 HD2 PHE A 77 64.970 -1.199 -2.152 1.00 1.32 H new ATOM 0 HE1 PHE A 77 69.782 -1.574 -1.007 1.00 2.03 H new ATOM 0 HE2 PHE A 77 66.123 -3.386 -2.337 1.00 1.48 H new ATOM 0 HZ PHE A 77 68.529 -3.574 -1.765 1.00 1.46 H new ATOM 1151 N LEU A 78 67.452 3.614 -2.037 1.00 0.66 N ATOM 1152 CA LEU A 78 68.454 4.479 -2.726 1.00 0.68 C ATOM 1153 C LEU A 78 69.133 5.399 -1.711 1.00 0.62 C ATOM 1154 O LEU A 78 70.244 5.848 -1.910 1.00 0.64 O ATOM 1155 CB LEU A 78 67.653 5.294 -3.747 1.00 0.77 C ATOM 1156 CG LEU A 78 66.736 4.370 -4.563 1.00 0.96 C ATOM 1157 CD1 LEU A 78 66.313 5.082 -5.849 1.00 1.55 C ATOM 1158 CD2 LEU A 78 67.482 3.081 -4.924 1.00 1.41 C ATOM 0 H LEU A 78 66.517 3.621 -2.445 1.00 0.66 H new ATOM 0 HA LEU A 78 69.241 3.898 -3.208 1.00 0.68 H new ATOM 0 HB2 LEU A 78 67.057 6.049 -3.234 1.00 0.77 H new ATOM 0 HB3 LEU A 78 68.333 5.824 -4.414 1.00 0.77 H new ATOM 0 HG LEU A 78 65.856 4.124 -3.969 1.00 0.96 H new ATOM 0 HD11 LEU A 78 65.662 4.428 -6.430 1.00 1.55 H new ATOM 0 HD12 LEU A 78 65.777 5.998 -5.599 1.00 1.55 H new ATOM 0 HD13 LEU A 78 67.198 5.328 -6.436 1.00 1.55 H new ATOM 0 HD21 LEU A 78 66.826 2.431 -5.502 1.00 1.41 H new ATOM 0 HD22 LEU A 78 68.365 3.325 -5.515 1.00 1.41 H new ATOM 0 HD23 LEU A 78 67.787 2.569 -4.011 1.00 1.41 H new ATOM 1170 N VAL A 79 68.477 5.674 -0.618 1.00 0.59 N ATOM 1171 CA VAL A 79 69.089 6.555 0.415 1.00 0.61 C ATOM 1172 C VAL A 79 69.961 5.720 1.354 1.00 0.63 C ATOM 1173 O VAL A 79 70.810 6.234 2.054 1.00 0.68 O ATOM 1174 CB VAL A 79 67.908 7.161 1.172 1.00 0.63 C ATOM 1175 CG1 VAL A 79 68.429 8.106 2.256 1.00 0.73 C ATOM 1176 CG2 VAL A 79 67.028 7.942 0.195 1.00 0.70 C ATOM 0 H VAL A 79 67.544 5.327 -0.396 1.00 0.59 H new ATOM 0 HA VAL A 79 69.727 7.326 -0.017 1.00 0.61 H new ATOM 0 HB VAL A 79 67.323 6.366 1.634 1.00 0.63 H new ATOM 0 HG11 VAL A 79 67.587 8.539 2.797 1.00 0.73 H new ATOM 0 HG12 VAL A 79 69.059 7.551 2.951 1.00 0.73 H new ATOM 0 HG13 VAL A 79 69.012 8.903 1.794 1.00 0.73 H new ATOM 0 HG21 VAL A 79 66.184 8.376 0.732 1.00 0.70 H new ATOM 0 HG22 VAL A 79 67.613 8.738 -0.265 1.00 0.70 H new ATOM 0 HG23 VAL A 79 66.658 7.270 -0.579 1.00 0.70 H new ATOM 1186 N MET A 80 69.756 4.431 1.370 1.00 0.65 N ATOM 1187 CA MET A 80 70.571 3.554 2.257 1.00 0.72 C ATOM 1188 C MET A 80 71.977 3.380 1.679 1.00 0.71 C ATOM 1189 O MET A 80 72.885 2.939 2.355 1.00 0.76 O ATOM 1190 CB MET A 80 69.832 2.216 2.284 1.00 0.80 C ATOM 1191 CG MET A 80 70.187 1.463 3.567 1.00 1.12 C ATOM 1192 SD MET A 80 70.041 -0.319 3.282 1.00 2.17 S ATOM 1193 CE MET A 80 68.431 -0.544 4.076 1.00 2.77 C ATOM 0 H MET A 80 69.058 3.947 0.806 1.00 0.65 H new ATOM 0 HA MET A 80 70.688 3.973 3.257 1.00 0.72 H new ATOM 0 HB2 MET A 80 68.756 2.382 2.233 1.00 0.80 H new ATOM 0 HB3 MET A 80 70.105 1.620 1.413 1.00 0.80 H new ATOM 0 HG2 MET A 80 71.202 1.710 3.877 1.00 1.12 H new ATOM 0 HG3 MET A 80 69.523 1.768 4.376 1.00 1.12 H new ATOM 0 HE1 MET A 80 68.460 -1.427 4.714 1.00 2.77 H new ATOM 0 HE2 MET A 80 68.197 0.333 4.680 1.00 2.77 H new ATOM 0 HE3 MET A 80 67.664 -0.673 3.313 1.00 2.77 H new ATOM 1203 N MET A 81 72.167 3.729 0.436 1.00 0.69 N ATOM 1204 CA MET A 81 73.523 3.587 -0.174 1.00 0.74 C ATOM 1205 C MET A 81 74.189 4.960 -0.269 1.00 0.75 C ATOM 1206 O MET A 81 75.397 5.073 -0.327 1.00 0.82 O ATOM 1207 CB MET A 81 73.349 2.975 -1.584 1.00 0.73 C ATOM 1208 CG MET A 81 71.875 2.698 -1.922 1.00 0.89 C ATOM 1209 SD MET A 81 71.217 1.413 -0.824 1.00 1.41 S ATOM 1210 CE MET A 81 72.598 0.252 -0.964 1.00 1.21 C ATOM 0 H MET A 81 71.448 4.104 -0.182 1.00 0.69 H new ATOM 0 HA MET A 81 74.155 2.942 0.437 1.00 0.74 H new ATOM 0 HB2 MET A 81 73.768 3.654 -2.327 1.00 0.73 H new ATOM 0 HB3 MET A 81 73.915 2.045 -1.647 1.00 0.73 H new ATOM 0 HG2 MET A 81 71.291 3.612 -1.816 1.00 0.89 H new ATOM 0 HG3 MET A 81 71.785 2.381 -2.961 1.00 0.89 H new ATOM 0 HE1 MET A 81 72.263 -0.747 -0.684 1.00 1.21 H new ATOM 0 HE2 MET A 81 72.959 0.239 -1.992 1.00 1.21 H new ATOM 0 HE3 MET A 81 73.404 0.564 -0.300 1.00 1.21 H new ATOM 1220 N VAL A 82 73.410 6.009 -0.271 1.00 0.72 N ATOM 1221 CA VAL A 82 74.002 7.374 -0.348 1.00 0.78 C ATOM 1222 C VAL A 82 74.800 7.659 0.928 1.00 0.81 C ATOM 1223 O VAL A 82 75.806 8.338 0.907 1.00 0.93 O ATOM 1224 CB VAL A 82 72.806 8.320 -0.460 1.00 0.80 C ATOM 1225 CG1 VAL A 82 73.239 9.744 -0.104 1.00 1.08 C ATOM 1226 CG2 VAL A 82 72.272 8.296 -1.895 1.00 1.36 C ATOM 0 H VAL A 82 72.392 5.979 -0.223 1.00 0.72 H new ATOM 0 HA VAL A 82 74.685 7.490 -1.190 1.00 0.78 H new ATOM 0 HB VAL A 82 72.025 7.997 0.228 1.00 0.80 H new ATOM 0 HG11 VAL A 82 72.384 10.415 -0.185 1.00 1.08 H new ATOM 0 HG12 VAL A 82 73.620 9.764 0.917 1.00 1.08 H new ATOM 0 HG13 VAL A 82 74.021 10.069 -0.790 1.00 1.08 H new ATOM 0 HG21 VAL A 82 71.419 8.970 -1.977 1.00 1.36 H new ATOM 0 HG22 VAL A 82 73.056 8.618 -2.580 1.00 1.36 H new ATOM 0 HG23 VAL A 82 71.960 7.283 -2.150 1.00 1.36 H new ATOM 1236 N ARG A 83 74.356 7.134 2.038 1.00 0.79 N ATOM 1237 CA ARG A 83 75.084 7.362 3.318 1.00 0.85 C ATOM 1238 C ARG A 83 76.169 6.298 3.497 1.00 0.90 C ATOM 1239 O ARG A 83 77.133 6.493 4.211 1.00 1.00 O ATOM 1240 CB ARG A 83 74.020 7.230 4.409 1.00 0.87 C ATOM 1241 CG ARG A 83 73.566 8.621 4.855 1.00 1.07 C ATOM 1242 CD ARG A 83 72.336 8.493 5.757 1.00 0.92 C ATOM 1243 NE ARG A 83 72.589 9.430 6.887 1.00 1.62 N ATOM 1244 CZ ARG A 83 73.307 9.045 7.906 1.00 1.83 C ATOM 1245 NH1 ARG A 83 74.128 8.038 7.784 1.00 2.14 N ATOM 1246 NH2 ARG A 83 73.204 9.668 9.049 1.00 2.49 N ATOM 0 H ARG A 83 73.519 6.556 2.113 1.00 0.79 H new ATOM 0 HA ARG A 83 75.578 8.333 3.348 1.00 0.85 H new ATOM 0 HB2 ARG A 83 73.169 6.662 4.034 1.00 0.87 H new ATOM 0 HB3 ARG A 83 74.422 6.678 5.258 1.00 0.87 H new ATOM 0 HG2 ARG A 83 74.372 9.124 5.390 1.00 1.07 H new ATOM 0 HG3 ARG A 83 73.330 9.234 3.985 1.00 1.07 H new ATOM 0 HD2 ARG A 83 71.424 8.757 5.221 1.00 0.92 H new ATOM 0 HD3 ARG A 83 72.212 7.470 6.112 1.00 0.92 H new ATOM 0 HE ARG A 83 72.201 10.373 6.864 1.00 1.62 H new ATOM 0 HH11 ARG A 83 74.209 7.551 6.891 1.00 2.14 H new ATOM 0 HH12 ARG A 83 74.689 7.738 8.581 1.00 2.14 H new ATOM 0 HH21 ARG A 83 72.562 10.455 9.145 1.00 2.49 H new ATOM 0 HH22 ARG A 83 73.765 9.367 9.846 1.00 2.49 H new ATOM 1260 N SER A 84 76.017 5.174 2.853 1.00 0.92 N ATOM 1261 CA SER A 84 77.038 4.095 2.981 1.00 1.01 C ATOM 1262 C SER A 84 77.875 4.008 1.701 1.00 1.06 C ATOM 1263 O SER A 84 78.322 2.947 1.311 1.00 1.38 O ATOM 1264 CB SER A 84 76.234 2.811 3.183 1.00 1.04 C ATOM 1265 OG SER A 84 76.984 1.909 3.985 1.00 1.52 O ATOM 0 H SER A 84 75.229 4.955 2.243 1.00 0.92 H new ATOM 0 HA SER A 84 77.730 4.275 3.803 1.00 1.01 H new ATOM 0 HB2 SER A 84 75.281 3.036 3.663 1.00 1.04 H new ATOM 0 HB3 SER A 84 76.006 2.356 2.219 1.00 1.04 H new ATOM 0 HG SER A 84 76.471 1.085 4.118 1.00 1.52 H new ATOM 1271 N MET A 85 78.089 5.115 1.046 1.00 0.00 N ATOM 1272 CA MET A 85 78.894 5.097 -0.207 1.00 0.00 C ATOM 1273 C MET A 85 80.250 5.771 0.024 1.00 0.00 C ATOM 1274 O MET A 85 80.804 6.392 -0.861 1.00 0.00 O ATOM 1275 CB MET A 85 78.066 5.887 -1.221 1.00 0.00 C ATOM 1276 CG MET A 85 77.320 4.916 -2.138 1.00 0.00 C ATOM 1277 SD MET A 85 76.038 5.811 -3.050 1.00 0.00 S ATOM 1278 CE MET A 85 75.588 4.470 -4.178 1.00 0.00 C ATOM 0 H MET A 85 77.741 6.032 1.325 1.00 0.00 H new ATOM 0 HA MET A 85 79.100 4.083 -0.551 1.00 0.00 H new ATOM 0 HB2 MET A 85 77.357 6.532 -0.703 1.00 0.00 H new ATOM 0 HB3 MET A 85 78.715 6.535 -1.810 1.00 0.00 H new ATOM 0 HG2 MET A 85 78.017 4.448 -2.834 1.00 0.00 H new ATOM 0 HG3 MET A 85 76.871 4.116 -1.550 1.00 0.00 H new ATOM 0 HE1 MET A 85 74.558 4.602 -4.508 1.00 0.00 H new ATOM 0 HE2 MET A 85 76.251 4.485 -5.043 1.00 0.00 H new ATOM 0 HE3 MET A 85 75.684 3.514 -3.663 1.00 0.00 H new