USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=18 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 45 MET CE :methyl -107:sc= -2.3 (180deg=-0.0123) USER MOD Set 1.2: A 50 GLN :FLIP amide:sc= -2.16 F(o=-9.7!,f=-4.5) USER MOD Set 1.3: A 80 MET CE :methyl -111:sc=-0.00549 (180deg=-0.0394) USER MOD Set 2.1: A 69 SER OG : rot 94:sc= 0.695 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 1.02 USER MOD Set 3.1: A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 84 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 16 GLN :FLIP amide:sc= -2.31 F(o=-7.3!,f=-3.5) USER MOD Set 4.2: A 85 MET CE :methyl 138:sc= -1.21 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN :FLIP amide:sc= 0.911 F(o=-0.44,f=0.91) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.343 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -3.11! C(o=-3.1!,f=-4.1!) USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= -0.101 (180deg=-0.181) USER MOD Single : A 35 SER OG : rot 180:sc= -0.487 USER MOD Single : A 37 SER OG : rot 133:sc= -6.96! USER MOD Single : A 38 THR OG1 : rot 175:sc= -1.31 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 -130:sc= -3.44 (180deg=-10.8!) USER MOD Single : A 51 ASN : amide:sc= -1.74 K(o=-1.7,f=-4.6!) USER MOD Single : A 53 THR OG1 : rot 174:sc= 0.312 USER MOD Single : A 58 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.5!) USER MOD Single : A 81 MET CE :methyl 159:sc= -5.16! (180deg=-6.29!) USER MOD ----------------------------------------------------------------- ATOM 44 N TYR A 5 70.687 13.010 0.671 1.00 0.88 N ATOM 45 CA TYR A 5 70.966 11.748 -0.071 1.00 0.86 C ATOM 46 C TYR A 5 70.206 11.736 -1.401 1.00 0.78 C ATOM 47 O TYR A 5 70.702 11.269 -2.407 1.00 0.79 O ATOM 48 CB TYR A 5 70.465 10.631 0.845 1.00 1.02 C ATOM 49 CG TYR A 5 70.949 10.881 2.254 1.00 1.22 C ATOM 50 CD1 TYR A 5 72.276 10.602 2.598 1.00 1.64 C ATOM 51 CD2 TYR A 5 70.068 11.391 3.216 1.00 1.94 C ATOM 52 CE1 TYR A 5 72.726 10.834 3.904 1.00 1.80 C ATOM 53 CE2 TYR A 5 70.517 11.623 4.522 1.00 2.20 C ATOM 54 CZ TYR A 5 71.845 11.344 4.866 1.00 1.77 C ATOM 55 OH TYR A 5 72.288 11.573 6.153 1.00 2.07 O ATOM 0 HA TYR A 5 72.023 11.635 -0.310 1.00 0.86 H new ATOM 0 HB2 TYR A 5 69.376 10.590 0.825 1.00 1.02 H new ATOM 0 HB3 TYR A 5 70.827 9.666 0.491 1.00 1.02 H new ATOM 0 HD1 TYR A 5 72.954 10.207 1.856 1.00 1.64 H new ATOM 0 HD2 TYR A 5 69.043 11.605 2.951 1.00 1.94 H new ATOM 0 HE1 TYR A 5 73.751 10.620 4.169 1.00 1.80 H new ATOM 0 HE2 TYR A 5 69.839 12.017 5.264 1.00 2.20 H new ATOM 0 HH TYR A 5 71.552 11.928 6.694 1.00 2.07 H new ATOM 65 N LYS A 6 69.004 12.246 -1.411 1.00 0.89 N ATOM 66 CA LYS A 6 68.212 12.263 -2.674 1.00 1.01 C ATOM 67 C LYS A 6 69.065 12.805 -3.826 1.00 0.98 C ATOM 68 O LYS A 6 69.155 12.206 -4.879 1.00 1.00 O ATOM 69 CB LYS A 6 67.035 13.196 -2.391 1.00 1.28 C ATOM 70 CG LYS A 6 66.188 13.351 -3.656 1.00 1.60 C ATOM 71 CD LYS A 6 65.883 11.969 -4.238 1.00 2.04 C ATOM 72 CE LYS A 6 64.441 11.936 -4.748 1.00 2.60 C ATOM 73 NZ LYS A 6 64.498 12.555 -6.101 1.00 3.24 N ATOM 0 H LYS A 6 68.537 12.651 -0.600 1.00 0.89 H new ATOM 0 HA LYS A 6 67.880 11.267 -2.967 1.00 1.01 H new ATOM 0 HB2 LYS A 6 66.426 12.795 -1.581 1.00 1.28 H new ATOM 0 HB3 LYS A 6 67.400 14.170 -2.064 1.00 1.28 H new ATOM 0 HG2 LYS A 6 65.260 13.872 -3.423 1.00 1.60 H new ATOM 0 HG3 LYS A 6 66.719 13.957 -4.390 1.00 1.60 H new ATOM 0 HD2 LYS A 6 66.573 11.745 -5.052 1.00 2.04 H new ATOM 0 HD3 LYS A 6 66.028 11.202 -3.477 1.00 2.04 H new ATOM 0 HE2 LYS A 6 64.063 10.915 -4.796 1.00 2.60 H new ATOM 0 HE3 LYS A 6 63.776 12.492 -4.087 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 63.545 12.569 -6.517 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 64.856 13.528 -6.023 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 65.133 12.001 -6.710 1.00 3.24 H new ATOM 87 N ALA A 7 69.691 13.934 -3.633 1.00 1.07 N ATOM 88 CA ALA A 7 70.538 14.512 -4.716 1.00 1.20 C ATOM 89 C ALA A 7 71.528 13.463 -5.230 1.00 1.08 C ATOM 90 O ALA A 7 71.843 13.414 -6.403 1.00 1.19 O ATOM 91 CB ALA A 7 71.282 15.675 -4.061 1.00 1.36 C ATOM 0 H ALA A 7 69.653 14.481 -2.773 1.00 1.07 H new ATOM 0 HA ALA A 7 69.947 14.838 -5.572 1.00 1.20 H new ATOM 0 HB1 ALA A 7 71.929 16.154 -4.796 1.00 1.36 H new ATOM 0 HB2 ALA A 7 70.562 16.401 -3.684 1.00 1.36 H new ATOM 0 HB3 ALA A 7 71.887 15.301 -3.235 1.00 1.36 H new ATOM 97 N ALA A 8 72.020 12.621 -4.363 1.00 0.95 N ATOM 98 CA ALA A 8 72.989 11.576 -4.804 1.00 0.96 C ATOM 99 C ALA A 8 72.264 10.487 -5.599 1.00 0.90 C ATOM 100 O ALA A 8 72.732 10.041 -6.627 1.00 1.01 O ATOM 101 CB ALA A 8 73.568 11.001 -3.511 1.00 0.98 C ATOM 0 H ALA A 8 71.793 12.611 -3.369 1.00 0.95 H new ATOM 0 HA ALA A 8 73.766 11.980 -5.453 1.00 0.96 H new ATOM 0 HB1 ALA A 8 74.292 10.223 -3.751 1.00 0.98 H new ATOM 0 HB2 ALA A 8 74.061 11.794 -2.949 1.00 0.98 H new ATOM 0 HB3 ALA A 8 72.764 10.576 -2.910 1.00 0.98 H new ATOM 107 N VAL A 9 71.125 10.056 -5.130 1.00 0.83 N ATOM 108 CA VAL A 9 70.371 8.996 -5.861 1.00 0.82 C ATOM 109 C VAL A 9 70.028 9.472 -7.275 1.00 0.97 C ATOM 110 O VAL A 9 69.928 8.688 -8.198 1.00 1.02 O ATOM 111 CB VAL A 9 69.097 8.780 -5.043 1.00 0.84 C ATOM 112 CG1 VAL A 9 68.128 7.898 -5.832 1.00 1.05 C ATOM 113 CG2 VAL A 9 69.451 8.094 -3.723 1.00 0.70 C ATOM 0 H VAL A 9 70.684 10.391 -4.274 1.00 0.83 H new ATOM 0 HA VAL A 9 70.947 8.077 -5.967 1.00 0.82 H new ATOM 0 HB VAL A 9 68.628 9.742 -4.839 1.00 0.84 H new ATOM 0 HG11 VAL A 9 67.220 7.744 -5.249 1.00 1.05 H new ATOM 0 HG12 VAL A 9 67.877 8.386 -6.774 1.00 1.05 H new ATOM 0 HG13 VAL A 9 68.596 6.935 -6.036 1.00 1.05 H new ATOM 0 HG21 VAL A 9 68.544 7.939 -3.139 1.00 0.70 H new ATOM 0 HG22 VAL A 9 69.920 7.131 -3.927 1.00 0.70 H new ATOM 0 HG23 VAL A 9 70.142 8.722 -3.161 1.00 0.70 H new ATOM 123 N GLU A 10 69.848 10.753 -7.453 1.00 1.12 N ATOM 124 CA GLU A 10 69.512 11.278 -8.808 1.00 1.32 C ATOM 125 C GLU A 10 70.737 11.198 -9.721 1.00 1.37 C ATOM 126 O GLU A 10 70.620 11.063 -10.923 1.00 1.56 O ATOM 127 CB GLU A 10 69.108 12.735 -8.579 1.00 1.51 C ATOM 128 CG GLU A 10 67.630 12.799 -8.189 1.00 1.80 C ATOM 129 CD GLU A 10 66.776 12.948 -9.449 1.00 2.02 C ATOM 130 OE1 GLU A 10 67.300 12.721 -10.527 1.00 2.61 O ATOM 131 OE2 GLU A 10 65.612 13.287 -9.315 1.00 2.28 O ATOM 0 H GLU A 10 69.919 11.458 -6.719 1.00 1.12 H new ATOM 0 HA GLU A 10 68.718 10.706 -9.289 1.00 1.32 H new ATOM 0 HB2 GLU A 10 69.722 13.175 -7.793 1.00 1.51 H new ATOM 0 HB3 GLU A 10 69.282 13.318 -9.483 1.00 1.51 H new ATOM 0 HG2 GLU A 10 67.346 11.896 -7.649 1.00 1.80 H new ATOM 0 HG3 GLU A 10 67.456 13.640 -7.517 1.00 1.80 H new ATOM 138 N GLN A 11 71.913 11.277 -9.160 1.00 1.29 N ATOM 139 CA GLN A 11 73.146 11.202 -9.997 1.00 1.45 C ATOM 140 C GLN A 11 73.602 9.747 -10.131 1.00 1.35 C ATOM 141 O GLN A 11 74.535 9.444 -10.847 1.00 1.53 O ATOM 142 CB GLN A 11 74.188 12.025 -9.238 1.00 1.61 C ATOM 143 CG GLN A 11 73.850 13.512 -9.357 1.00 2.13 C ATOM 144 CD GLN A 11 74.592 14.293 -8.270 1.00 2.44 C ATOM 145 OE1 GLN A 11 75.747 14.833 -8.544 1.00 2.96 O flip ATOM 146 NE2 GLN A 11 74.112 14.415 -7.159 1.00 2.71 N flip ATOM 0 H GLN A 11 72.074 11.390 -8.159 1.00 1.29 H new ATOM 0 HA GLN A 11 72.987 11.579 -11.007 1.00 1.45 H new ATOM 0 HB2 GLN A 11 74.207 11.729 -8.189 1.00 1.61 H new ATOM 0 HB3 GLN A 11 75.182 11.834 -9.642 1.00 1.61 H new ATOM 0 HG2 GLN A 11 74.132 13.882 -10.343 1.00 2.13 H new ATOM 0 HG3 GLN A 11 72.775 13.661 -9.257 1.00 2.13 H new ATOM 0 HE21 GLN A 11 73.209 13.993 -6.945 1.00 2.71 H new ATOM 0 HE22 GLN A 11 74.613 14.940 -6.442 1.00 2.71 H new ATOM 155 N LEU A 12 72.949 8.846 -9.450 1.00 1.18 N ATOM 156 CA LEU A 12 73.343 7.412 -9.539 1.00 1.21 C ATOM 157 C LEU A 12 73.562 7.016 -11.001 1.00 1.11 C ATOM 158 O LEU A 12 73.275 7.772 -11.908 1.00 1.25 O ATOM 159 CB LEU A 12 72.161 6.639 -8.950 1.00 1.32 C ATOM 160 CG LEU A 12 72.463 6.276 -7.495 1.00 1.38 C ATOM 161 CD1 LEU A 12 71.310 5.447 -6.928 1.00 1.49 C ATOM 162 CD2 LEU A 12 73.754 5.460 -7.431 1.00 1.68 C ATOM 0 H LEU A 12 72.159 9.041 -8.835 1.00 1.18 H new ATOM 0 HA LEU A 12 74.272 7.205 -9.008 1.00 1.21 H new ATOM 0 HB2 LEU A 12 71.255 7.242 -9.005 1.00 1.32 H new ATOM 0 HB3 LEU A 12 71.978 5.735 -9.531 1.00 1.32 H new ATOM 0 HG LEU A 12 72.579 7.188 -6.909 1.00 1.38 H new ATOM 0 HD11 LEU A 12 71.524 5.188 -5.891 1.00 1.49 H new ATOM 0 HD12 LEU A 12 70.388 6.027 -6.974 1.00 1.49 H new ATOM 0 HD13 LEU A 12 71.195 4.535 -7.514 1.00 1.49 H new ATOM 0 HD21 LEU A 12 73.970 5.201 -6.394 1.00 1.68 H new ATOM 0 HD22 LEU A 12 73.637 4.548 -8.016 1.00 1.68 H new ATOM 0 HD23 LEU A 12 74.577 6.048 -7.837 1.00 1.68 H new ATOM 174 N THR A 13 74.066 5.837 -11.237 1.00 1.05 N ATOM 175 CA THR A 13 74.299 5.395 -12.641 1.00 1.13 C ATOM 176 C THR A 13 73.198 4.423 -13.076 1.00 0.94 C ATOM 177 O THR A 13 72.717 3.626 -12.294 1.00 0.87 O ATOM 178 CB THR A 13 75.656 4.690 -12.618 1.00 1.38 C ATOM 179 OG1 THR A 13 75.994 4.357 -11.279 1.00 1.89 O ATOM 180 CG2 THR A 13 76.724 5.618 -13.201 1.00 1.68 C ATOM 0 H THR A 13 74.327 5.161 -10.519 1.00 1.05 H new ATOM 0 HA THR A 13 74.286 6.229 -13.343 1.00 1.13 H new ATOM 0 HB THR A 13 75.603 3.780 -13.215 1.00 1.38 H new ATOM 0 HG1 THR A 13 76.863 3.904 -11.264 1.00 1.89 H new ATOM 0 HG21 THR A 13 77.691 5.115 -13.184 1.00 1.68 H new ATOM 0 HG22 THR A 13 76.464 5.871 -14.229 1.00 1.68 H new ATOM 0 HG23 THR A 13 76.779 6.529 -12.605 1.00 1.68 H new ATOM 188 N GLU A 14 72.796 4.483 -14.315 1.00 0.94 N ATOM 189 CA GLU A 14 71.728 3.562 -14.796 1.00 0.90 C ATOM 190 C GLU A 14 71.988 2.141 -14.287 1.00 0.82 C ATOM 191 O GLU A 14 71.077 1.359 -14.107 1.00 0.82 O ATOM 192 CB GLU A 14 71.819 3.609 -16.322 1.00 1.05 C ATOM 193 CG GLU A 14 73.164 3.035 -16.772 1.00 2.10 C ATOM 194 CD GLU A 14 73.491 3.539 -18.178 1.00 2.64 C ATOM 195 OE1 GLU A 14 73.746 4.724 -18.318 1.00 2.91 O ATOM 196 OE2 GLU A 14 73.481 2.732 -19.093 1.00 3.31 O ATOM 0 H GLU A 14 73.160 5.129 -15.015 1.00 0.94 H new ATOM 0 HA GLU A 14 70.740 3.853 -14.438 1.00 0.90 H new ATOM 0 HB2 GLU A 14 71.002 3.038 -16.763 1.00 1.05 H new ATOM 0 HB3 GLU A 14 71.715 4.636 -16.671 1.00 1.05 H new ATOM 0 HG2 GLU A 14 73.949 3.332 -16.076 1.00 2.10 H new ATOM 0 HG3 GLU A 14 73.127 1.946 -16.764 1.00 2.10 H new ATOM 203 N GLU A 15 73.226 1.806 -14.051 1.00 0.92 N ATOM 204 CA GLU A 15 73.547 0.438 -13.551 1.00 1.01 C ATOM 205 C GLU A 15 73.170 0.315 -12.073 1.00 0.90 C ATOM 206 O GLU A 15 72.923 -0.765 -11.572 1.00 0.89 O ATOM 207 CB GLU A 15 75.059 0.295 -13.731 1.00 1.23 C ATOM 208 CG GLU A 15 75.363 -0.164 -15.159 1.00 1.92 C ATOM 209 CD GLU A 15 76.283 -1.385 -15.117 1.00 2.37 C ATOM 210 OE1 GLU A 15 75.938 -2.339 -14.440 1.00 2.80 O ATOM 211 OE2 GLU A 15 77.316 -1.345 -15.765 1.00 2.90 O ATOM 0 H GLU A 15 74.030 2.420 -14.182 1.00 0.92 H new ATOM 0 HA GLU A 15 72.998 -0.337 -14.086 1.00 1.01 H new ATOM 0 HB2 GLU A 15 75.551 1.247 -13.531 1.00 1.23 H new ATOM 0 HB3 GLU A 15 75.455 -0.425 -13.014 1.00 1.23 H new ATOM 0 HG2 GLU A 15 74.437 -0.411 -15.678 1.00 1.92 H new ATOM 0 HG3 GLU A 15 75.837 0.643 -15.719 1.00 1.92 H new ATOM 218 N GLN A 16 73.124 1.412 -11.369 1.00 0.89 N ATOM 219 CA GLN A 16 72.764 1.358 -9.922 1.00 0.87 C ATOM 220 C GLN A 16 71.243 1.304 -9.757 1.00 0.68 C ATOM 221 O GLN A 16 70.720 0.516 -8.995 1.00 0.67 O ATOM 222 CB GLN A 16 73.324 2.650 -9.327 1.00 0.97 C ATOM 223 CG GLN A 16 74.846 2.539 -9.204 1.00 1.77 C ATOM 224 CD GLN A 16 75.199 1.389 -8.259 1.00 2.15 C ATOM 225 OE1 GLN A 16 74.523 1.239 -7.153 1.00 2.42 O flip ATOM 226 NE2 GLN A 16 76.097 0.618 -8.531 1.00 2.61 N flip ATOM 0 H GLN A 16 73.320 2.345 -11.732 1.00 0.89 H new ATOM 0 HA GLN A 16 73.167 0.474 -9.428 1.00 0.87 H new ATOM 0 HB2 GLN A 16 73.061 3.498 -9.959 1.00 0.97 H new ATOM 0 HB3 GLN A 16 72.882 2.833 -8.348 1.00 0.97 H new ATOM 0 HG2 GLN A 16 75.289 2.367 -10.185 1.00 1.77 H new ATOM 0 HG3 GLN A 16 75.260 3.474 -8.827 1.00 1.77 H new ATOM 0 HE21 GLN A 16 76.625 0.735 -9.396 1.00 2.61 H new ATOM 0 HE22 GLN A 16 76.323 -0.147 -7.895 1.00 2.61 H new ATOM 235 N LYS A 17 70.529 2.134 -10.467 1.00 0.63 N ATOM 236 CA LYS A 17 69.043 2.125 -10.349 1.00 0.62 C ATOM 237 C LYS A 17 68.470 0.875 -11.021 1.00 0.60 C ATOM 238 O LYS A 17 67.550 0.257 -10.524 1.00 0.66 O ATOM 239 CB LYS A 17 68.578 3.386 -11.077 1.00 0.74 C ATOM 240 CG LYS A 17 68.967 4.620 -10.262 1.00 1.21 C ATOM 241 CD LYS A 17 67.983 5.756 -10.550 1.00 1.31 C ATOM 242 CE LYS A 17 68.726 7.094 -10.532 1.00 1.43 C ATOM 243 NZ LYS A 17 68.188 7.847 -11.700 1.00 2.06 N ATOM 0 H LYS A 17 70.909 2.817 -11.122 1.00 0.63 H new ATOM 0 HA LYS A 17 68.711 2.110 -9.311 1.00 0.62 H new ATOM 0 HB2 LYS A 17 69.030 3.434 -12.068 1.00 0.74 H new ATOM 0 HB3 LYS A 17 67.498 3.358 -11.221 1.00 0.74 H new ATOM 0 HG2 LYS A 17 68.962 4.382 -9.198 1.00 1.21 H new ATOM 0 HG3 LYS A 17 69.981 4.931 -10.515 1.00 1.21 H new ATOM 0 HD2 LYS A 17 67.510 5.604 -11.520 1.00 1.31 H new ATOM 0 HD3 LYS A 17 67.188 5.760 -9.805 1.00 1.31 H new ATOM 0 HE2 LYS A 17 68.550 7.631 -9.600 1.00 1.43 H new ATOM 0 HE3 LYS A 17 69.803 6.949 -10.617 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 68.649 8.777 -11.756 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 68.376 7.314 -12.573 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 67.162 7.976 -11.588 1.00 2.06 H new ATOM 257 N ASN A 18 69.011 0.496 -12.147 1.00 0.70 N ATOM 258 CA ASN A 18 68.499 -0.716 -12.848 1.00 0.85 C ATOM 259 C ASN A 18 68.447 -1.898 -11.877 1.00 0.70 C ATOM 260 O ASN A 18 67.438 -2.562 -11.745 1.00 0.66 O ATOM 261 CB ASN A 18 69.508 -0.981 -13.967 1.00 1.11 C ATOM 262 CG ASN A 18 69.121 -0.168 -15.204 1.00 1.68 C ATOM 263 OD1 ASN A 18 67.957 0.093 -15.434 1.00 2.15 O ATOM 264 ND2 ASN A 18 70.055 0.245 -16.016 1.00 2.13 N ATOM 0 H ASN A 18 69.784 0.972 -12.611 1.00 0.70 H new ATOM 0 HA ASN A 18 67.490 -0.578 -13.237 1.00 0.85 H new ATOM 0 HB2 ASN A 18 70.511 -0.709 -13.639 1.00 1.11 H new ATOM 0 HB3 ASN A 18 69.529 -2.044 -14.209 1.00 1.11 H new ATOM 0 HD21 ASN A 18 69.808 0.787 -16.844 1.00 2.13 H new ATOM 0 HD22 ASN A 18 71.032 0.026 -15.823 1.00 2.13 H new ATOM 271 N GLU A 19 69.526 -2.164 -11.192 1.00 0.76 N ATOM 272 CA GLU A 19 69.533 -3.298 -10.226 1.00 0.79 C ATOM 273 C GLU A 19 68.617 -2.982 -9.042 1.00 0.65 C ATOM 274 O GLU A 19 67.917 -3.838 -8.538 1.00 0.66 O ATOM 275 CB GLU A 19 70.986 -3.416 -9.764 1.00 0.98 C ATOM 276 CG GLU A 19 71.126 -4.623 -8.834 1.00 1.21 C ATOM 277 CD GLU A 19 72.595 -5.042 -8.758 1.00 1.82 C ATOM 278 OE1 GLU A 19 73.389 -4.262 -8.258 1.00 2.44 O ATOM 279 OE2 GLU A 19 72.901 -6.138 -9.201 1.00 2.53 O ATOM 0 H GLU A 19 70.402 -1.645 -11.260 1.00 0.76 H new ATOM 0 HA GLU A 19 69.172 -4.225 -10.671 1.00 0.79 H new ATOM 0 HB2 GLU A 19 71.645 -3.528 -10.625 1.00 0.98 H new ATOM 0 HB3 GLU A 19 71.290 -2.506 -9.246 1.00 0.98 H new ATOM 0 HG2 GLU A 19 70.756 -4.374 -7.839 1.00 1.21 H new ATOM 0 HG3 GLU A 19 70.519 -5.451 -9.201 1.00 1.21 H new ATOM 286 N PHE A 20 68.614 -1.755 -8.598 1.00 0.67 N ATOM 287 CA PHE A 20 67.741 -1.376 -7.450 1.00 0.75 C ATOM 288 C PHE A 20 66.273 -1.620 -7.808 1.00 0.66 C ATOM 289 O PHE A 20 65.620 -2.472 -7.237 1.00 0.79 O ATOM 290 CB PHE A 20 68.000 0.118 -7.233 1.00 0.97 C ATOM 291 CG PHE A 20 69.418 0.341 -6.747 1.00 1.44 C ATOM 292 CD1 PHE A 20 70.237 -0.750 -6.417 1.00 2.35 C ATOM 293 CD2 PHE A 20 69.912 1.645 -6.623 1.00 2.24 C ATOM 294 CE1 PHE A 20 71.544 -0.534 -5.966 1.00 3.36 C ATOM 295 CE2 PHE A 20 71.220 1.860 -6.173 1.00 3.29 C ATOM 296 CZ PHE A 20 72.036 0.771 -5.845 1.00 3.69 C ATOM 0 H PHE A 20 69.179 -0.997 -8.981 1.00 0.67 H new ATOM 0 HA PHE A 20 67.954 -1.960 -6.554 1.00 0.75 H new ATOM 0 HB2 PHE A 20 67.838 0.661 -8.164 1.00 0.97 H new ATOM 0 HB3 PHE A 20 67.292 0.515 -6.505 1.00 0.97 H new ATOM 0 HD1 PHE A 20 69.858 -1.757 -6.511 1.00 2.35 H new ATOM 0 HD2 PHE A 20 69.283 2.486 -6.875 1.00 2.24 H new ATOM 0 HE1 PHE A 20 72.173 -1.374 -5.711 1.00 3.36 H new ATOM 0 HE2 PHE A 20 71.600 2.867 -6.079 1.00 3.29 H new ATOM 0 HZ PHE A 20 73.045 0.938 -5.499 1.00 3.69 H new ATOM 306 N LYS A 21 65.752 -0.884 -8.749 1.00 0.60 N ATOM 307 CA LYS A 21 64.328 -1.082 -9.144 1.00 0.65 C ATOM 308 C LYS A 21 64.072 -2.561 -9.442 1.00 0.57 C ATOM 309 O LYS A 21 63.029 -3.098 -9.125 1.00 0.57 O ATOM 310 CB LYS A 21 64.145 -0.243 -10.409 1.00 0.78 C ATOM 311 CG LYS A 21 64.070 1.239 -10.036 1.00 1.27 C ATOM 312 CD LYS A 21 64.620 2.081 -11.188 1.00 1.58 C ATOM 313 CE LYS A 21 64.886 3.507 -10.698 1.00 2.42 C ATOM 314 NZ LYS A 21 65.134 4.298 -11.935 1.00 2.88 N ATOM 0 H LYS A 21 66.248 -0.155 -9.261 1.00 0.60 H new ATOM 0 HA LYS A 21 63.634 -0.786 -8.357 1.00 0.65 H new ATOM 0 HB2 LYS A 21 64.975 -0.414 -11.094 1.00 0.78 H new ATOM 0 HB3 LYS A 21 63.235 -0.544 -10.929 1.00 0.78 H new ATOM 0 HG2 LYS A 21 63.038 1.521 -9.825 1.00 1.27 H new ATOM 0 HG3 LYS A 21 64.643 1.426 -9.128 1.00 1.27 H new ATOM 0 HD2 LYS A 21 65.541 1.638 -11.569 1.00 1.58 H new ATOM 0 HD3 LYS A 21 63.908 2.096 -12.014 1.00 1.58 H new ATOM 0 HE2 LYS A 21 64.034 3.899 -10.143 1.00 2.42 H new ATOM 0 HE3 LYS A 21 65.746 3.541 -10.029 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 65.424 5.263 -11.678 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 65.888 3.846 -12.490 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 64.263 4.338 -12.502 1.00 2.88 H new ATOM 328 N ALA A 22 65.018 -3.220 -10.049 1.00 0.59 N ATOM 329 CA ALA A 22 64.834 -4.664 -10.370 1.00 0.62 C ATOM 330 C ALA A 22 64.718 -5.484 -9.082 1.00 0.50 C ATOM 331 O ALA A 22 63.719 -6.130 -8.835 1.00 0.50 O ATOM 332 CB ALA A 22 66.091 -5.062 -11.146 1.00 0.76 C ATOM 0 H ALA A 22 65.912 -2.822 -10.337 1.00 0.59 H new ATOM 0 HA ALA A 22 63.925 -4.845 -10.944 1.00 0.62 H new ATOM 0 HB1 ALA A 22 66.031 -6.115 -11.419 1.00 0.76 H new ATOM 0 HB2 ALA A 22 66.168 -4.456 -12.049 1.00 0.76 H new ATOM 0 HB3 ALA A 22 66.970 -4.898 -10.523 1.00 0.76 H new ATOM 338 N ALA A 23 65.731 -5.468 -8.258 1.00 0.50 N ATOM 339 CA ALA A 23 65.672 -6.252 -6.991 1.00 0.53 C ATOM 340 C ALA A 23 64.426 -5.872 -6.187 1.00 0.46 C ATOM 341 O ALA A 23 63.607 -6.709 -5.863 1.00 0.52 O ATOM 342 CB ALA A 23 66.939 -5.867 -6.228 1.00 0.64 C ATOM 0 H ALA A 23 66.595 -4.947 -8.407 1.00 0.50 H new ATOM 0 HA ALA A 23 65.615 -7.325 -7.174 1.00 0.53 H new ATOM 0 HB1 ALA A 23 66.970 -6.404 -5.280 1.00 0.64 H new ATOM 0 HB2 ALA A 23 67.815 -6.128 -6.822 1.00 0.64 H new ATOM 0 HB3 ALA A 23 66.937 -4.794 -6.037 1.00 0.64 H new ATOM 348 N PHE A 24 64.275 -4.618 -5.861 1.00 0.47 N ATOM 349 CA PHE A 24 63.082 -4.190 -5.076 1.00 0.57 C ATOM 350 C PHE A 24 61.819 -4.864 -5.619 1.00 0.48 C ATOM 351 O PHE A 24 61.115 -5.550 -4.906 1.00 0.51 O ATOM 352 CB PHE A 24 63.005 -2.674 -5.267 1.00 0.77 C ATOM 353 CG PHE A 24 61.768 -2.145 -4.581 1.00 0.90 C ATOM 354 CD1 PHE A 24 60.507 -2.359 -5.148 1.00 1.58 C ATOM 355 CD2 PHE A 24 61.884 -1.438 -3.377 1.00 1.54 C ATOM 356 CE1 PHE A 24 59.361 -1.868 -4.511 1.00 1.72 C ATOM 357 CE2 PHE A 24 60.738 -0.947 -2.741 1.00 1.62 C ATOM 358 CZ PHE A 24 59.476 -1.161 -3.309 1.00 1.25 C ATOM 0 H PHE A 24 64.926 -3.871 -6.104 1.00 0.47 H new ATOM 0 HA PHE A 24 63.160 -4.466 -4.024 1.00 0.57 H new ATOM 0 HB2 PHE A 24 63.895 -2.199 -4.854 1.00 0.77 H new ATOM 0 HB3 PHE A 24 62.977 -2.431 -6.329 1.00 0.77 H new ATOM 0 HD1 PHE A 24 60.418 -2.903 -6.077 1.00 1.58 H new ATOM 0 HD2 PHE A 24 62.857 -1.272 -2.940 1.00 1.54 H new ATOM 0 HE1 PHE A 24 58.387 -2.035 -4.948 1.00 1.72 H new ATOM 0 HE2 PHE A 24 60.827 -0.403 -1.812 1.00 1.62 H new ATOM 0 HZ PHE A 24 58.592 -0.780 -2.819 1.00 1.25 H new ATOM 368 N ASP A 25 61.528 -4.674 -6.877 1.00 0.45 N ATOM 369 CA ASP A 25 60.309 -5.303 -7.463 1.00 0.53 C ATOM 370 C ASP A 25 60.378 -6.827 -7.322 1.00 0.52 C ATOM 371 O ASP A 25 59.378 -7.512 -7.403 1.00 0.60 O ATOM 372 CB ASP A 25 60.327 -4.902 -8.939 1.00 0.66 C ATOM 373 CG ASP A 25 59.909 -3.437 -9.076 1.00 0.98 C ATOM 374 OD1 ASP A 25 60.757 -2.580 -8.889 1.00 1.52 O ATOM 375 OD2 ASP A 25 58.749 -3.196 -9.367 1.00 1.55 O ATOM 0 H ASP A 25 62.080 -4.111 -7.524 1.00 0.45 H new ATOM 0 HA ASP A 25 59.397 -4.979 -6.962 1.00 0.53 H new ATOM 0 HB2 ASP A 25 61.325 -5.047 -9.354 1.00 0.66 H new ATOM 0 HB3 ASP A 25 59.650 -5.539 -9.508 1.00 0.66 H new ATOM 380 N ILE A 26 61.549 -7.364 -7.112 1.00 0.50 N ATOM 381 CA ILE A 26 61.678 -8.843 -6.968 1.00 0.63 C ATOM 382 C ILE A 26 61.634 -9.240 -5.491 1.00 0.70 C ATOM 383 O ILE A 26 61.257 -10.342 -5.144 1.00 0.94 O ATOM 384 CB ILE A 26 63.040 -9.183 -7.572 1.00 0.68 C ATOM 385 CG1 ILE A 26 63.051 -8.792 -9.050 1.00 0.72 C ATOM 386 CG2 ILE A 26 63.296 -10.685 -7.441 1.00 0.94 C ATOM 387 CD1 ILE A 26 64.497 -8.676 -9.537 1.00 0.69 C ATOM 0 H ILE A 26 62.422 -6.843 -7.034 1.00 0.50 H new ATOM 0 HA ILE A 26 60.866 -9.376 -7.463 1.00 0.63 H new ATOM 0 HB ILE A 26 63.820 -8.635 -7.043 1.00 0.68 H new ATOM 0 HG12 ILE A 26 62.517 -9.538 -9.638 1.00 0.72 H new ATOM 0 HG13 ILE A 26 62.532 -7.844 -9.190 1.00 0.72 H new ATOM 0 HG21 ILE A 26 64.267 -10.927 -7.872 1.00 0.94 H new ATOM 0 HG22 ILE A 26 63.286 -10.965 -6.388 1.00 0.94 H new ATOM 0 HG23 ILE A 26 62.517 -11.234 -7.970 1.00 0.94 H new ATOM 0 HD11 ILE A 26 64.505 -8.397 -10.591 1.00 0.69 H new ATOM 0 HD12 ILE A 26 65.017 -7.914 -8.956 1.00 0.69 H new ATOM 0 HD13 ILE A 26 65.001 -9.634 -9.411 1.00 0.69 H new ATOM 399 N PHE A 27 62.018 -8.351 -4.618 1.00 0.61 N ATOM 400 CA PHE A 27 62.002 -8.678 -3.163 1.00 0.79 C ATOM 401 C PHE A 27 60.700 -8.190 -2.521 1.00 0.76 C ATOM 402 O PHE A 27 60.294 -8.670 -1.482 1.00 1.03 O ATOM 403 CB PHE A 27 63.199 -7.932 -2.577 1.00 0.91 C ATOM 404 CG PHE A 27 64.475 -8.608 -3.012 1.00 1.45 C ATOM 405 CD1 PHE A 27 64.779 -9.895 -2.551 1.00 2.23 C ATOM 406 CD2 PHE A 27 65.356 -7.949 -3.877 1.00 2.07 C ATOM 407 CE1 PHE A 27 65.963 -10.522 -2.956 1.00 3.07 C ATOM 408 CE2 PHE A 27 66.540 -8.575 -4.282 1.00 2.83 C ATOM 409 CZ PHE A 27 66.844 -9.862 -3.822 1.00 3.21 C ATOM 0 H PHE A 27 62.342 -7.412 -4.848 1.00 0.61 H new ATOM 0 HA PHE A 27 62.060 -9.751 -2.982 1.00 0.79 H new ATOM 0 HB2 PHE A 27 63.193 -6.894 -2.910 1.00 0.91 H new ATOM 0 HB3 PHE A 27 63.135 -7.918 -1.489 1.00 0.91 H new ATOM 0 HD1 PHE A 27 64.100 -10.404 -1.883 1.00 2.23 H new ATOM 0 HD2 PHE A 27 65.122 -6.956 -4.232 1.00 2.07 H new ATOM 0 HE1 PHE A 27 66.197 -11.515 -2.601 1.00 3.07 H new ATOM 0 HE2 PHE A 27 67.219 -8.066 -4.949 1.00 2.83 H new ATOM 0 HZ PHE A 27 67.758 -10.346 -4.135 1.00 3.21 H new ATOM 419 N VAL A 28 60.044 -7.241 -3.131 1.00 0.63 N ATOM 420 CA VAL A 28 58.774 -6.726 -2.551 1.00 0.65 C ATOM 421 C VAL A 28 57.599 -7.603 -3.000 1.00 0.65 C ATOM 422 O VAL A 28 56.466 -7.380 -2.623 1.00 0.74 O ATOM 423 CB VAL A 28 58.659 -5.294 -3.094 1.00 0.68 C ATOM 424 CG1 VAL A 28 57.191 -4.914 -3.303 1.00 1.10 C ATOM 425 CG2 VAL A 28 59.291 -4.332 -2.089 1.00 1.47 C ATOM 0 H VAL A 28 60.333 -6.801 -4.005 1.00 0.63 H new ATOM 0 HA VAL A 28 58.761 -6.741 -1.461 1.00 0.65 H new ATOM 0 HB VAL A 28 59.175 -5.234 -4.052 1.00 0.68 H new ATOM 0 HG11 VAL A 28 57.130 -3.896 -3.688 1.00 1.10 H new ATOM 0 HG12 VAL A 28 56.736 -5.600 -4.017 1.00 1.10 H new ATOM 0 HG13 VAL A 28 56.661 -4.975 -2.353 1.00 1.10 H new ATOM 0 HG21 VAL A 28 59.215 -3.312 -2.465 1.00 1.47 H new ATOM 0 HG22 VAL A 28 58.769 -4.407 -1.135 1.00 1.47 H new ATOM 0 HG23 VAL A 28 60.341 -4.590 -1.949 1.00 1.47 H new ATOM 435 N LEU A 29 57.862 -8.603 -3.795 1.00 0.92 N ATOM 436 CA LEU A 29 56.759 -9.494 -4.254 1.00 0.99 C ATOM 437 C LEU A 29 55.934 -9.956 -3.053 1.00 0.99 C ATOM 438 O LEU A 29 54.741 -10.169 -3.145 1.00 1.10 O ATOM 439 CB LEU A 29 57.462 -10.683 -4.904 1.00 1.43 C ATOM 440 CG LEU A 29 58.127 -10.242 -6.209 1.00 1.74 C ATOM 441 CD1 LEU A 29 58.562 -11.476 -7.000 1.00 2.11 C ATOM 442 CD2 LEU A 29 57.133 -9.428 -7.042 1.00 2.45 C ATOM 0 H LEU A 29 58.790 -8.841 -4.146 1.00 0.92 H new ATOM 0 HA LEU A 29 56.077 -8.995 -4.943 1.00 0.99 H new ATOM 0 HB2 LEU A 29 58.210 -11.091 -4.224 1.00 1.43 H new ATOM 0 HB3 LEU A 29 56.743 -11.478 -5.102 1.00 1.43 H new ATOM 0 HG LEU A 29 58.998 -9.628 -5.982 1.00 1.74 H new ATOM 0 HD11 LEU A 29 59.036 -11.163 -7.930 1.00 2.11 H new ATOM 0 HD12 LEU A 29 59.271 -12.056 -6.409 1.00 2.11 H new ATOM 0 HD13 LEU A 29 57.690 -12.090 -7.226 1.00 2.11 H new ATOM 0 HD21 LEU A 29 57.608 -9.114 -7.971 1.00 2.45 H new ATOM 0 HD22 LEU A 29 56.261 -10.041 -7.269 1.00 2.45 H new ATOM 0 HD23 LEU A 29 56.821 -8.548 -6.479 1.00 2.45 H new ATOM 454 N GLY A 30 56.566 -10.106 -1.922 1.00 1.16 N ATOM 455 CA GLY A 30 55.832 -10.549 -0.705 1.00 1.58 C ATOM 456 C GLY A 30 56.098 -9.557 0.427 1.00 1.39 C ATOM 457 O GLY A 30 55.753 -9.792 1.568 1.00 1.89 O ATOM 0 H GLY A 30 57.563 -9.940 -1.788 1.00 1.16 H new ATOM 0 HA2 GLY A 30 54.763 -10.607 -0.911 1.00 1.58 H new ATOM 0 HA3 GLY A 30 56.156 -11.548 -0.413 1.00 1.58 H new ATOM 461 N ALA A 31 56.714 -8.448 0.118 1.00 0.90 N ATOM 462 CA ALA A 31 57.008 -7.434 1.172 1.00 0.95 C ATOM 463 C ALA A 31 55.807 -7.281 2.110 1.00 1.15 C ATOM 464 O ALA A 31 54.715 -7.720 1.810 1.00 1.41 O ATOM 465 CB ALA A 31 57.265 -6.133 0.412 1.00 0.97 C ATOM 0 H ALA A 31 57.027 -8.200 -0.821 1.00 0.90 H new ATOM 0 HA ALA A 31 57.859 -7.718 1.791 1.00 0.95 H new ATOM 0 HB1 ALA A 31 57.489 -5.336 1.121 1.00 0.97 H new ATOM 0 HB2 ALA A 31 58.110 -6.267 -0.263 1.00 0.97 H new ATOM 0 HB3 ALA A 31 56.379 -5.867 -0.164 1.00 0.97 H new ATOM 471 N GLU A 32 56.001 -6.664 3.242 1.00 1.35 N ATOM 472 CA GLU A 32 54.868 -6.486 4.196 1.00 1.90 C ATOM 473 C GLU A 32 53.890 -5.435 3.667 1.00 2.05 C ATOM 474 O GLU A 32 52.693 -5.640 3.649 1.00 2.79 O ATOM 475 CB GLU A 32 55.516 -6.013 5.497 1.00 2.37 C ATOM 476 CG GLU A 32 54.635 -6.422 6.680 1.00 2.44 C ATOM 477 CD GLU A 32 54.903 -7.886 7.033 1.00 2.83 C ATOM 478 OE1 GLU A 32 55.949 -8.385 6.650 1.00 3.29 O ATOM 479 OE2 GLU A 32 54.058 -8.483 7.679 1.00 3.24 O ATOM 0 H GLU A 32 56.893 -6.275 3.549 1.00 1.35 H new ATOM 0 HA GLU A 32 54.298 -7.404 4.336 1.00 1.90 H new ATOM 0 HB2 GLU A 32 56.510 -6.449 5.601 1.00 2.37 H new ATOM 0 HB3 GLU A 32 55.643 -4.931 5.481 1.00 2.37 H new ATOM 0 HG2 GLU A 32 54.844 -5.785 7.540 1.00 2.44 H new ATOM 0 HG3 GLU A 32 53.583 -6.284 6.429 1.00 2.44 H new ATOM 486 N ASP A 33 54.389 -4.310 3.234 1.00 1.80 N ATOM 487 CA ASP A 33 53.486 -3.248 2.704 1.00 2.11 C ATOM 488 C ASP A 33 54.116 -2.587 1.477 1.00 1.47 C ATOM 489 O ASP A 33 54.105 -1.380 1.336 1.00 1.80 O ATOM 490 CB ASP A 33 53.345 -2.239 3.844 1.00 3.12 C ATOM 491 CG ASP A 33 52.277 -2.724 4.826 1.00 3.68 C ATOM 492 OD1 ASP A 33 51.300 -3.297 4.373 1.00 4.12 O ATOM 493 OD2 ASP A 33 52.455 -2.514 6.015 1.00 4.09 O ATOM 0 H ASP A 33 55.383 -4.080 3.224 1.00 1.80 H new ATOM 0 HA ASP A 33 52.520 -3.645 2.392 1.00 2.11 H new ATOM 0 HB2 ASP A 33 54.299 -2.119 4.358 1.00 3.12 H new ATOM 0 HB3 ASP A 33 53.072 -1.261 3.447 1.00 3.12 H new ATOM 498 N GLY A 34 54.669 -3.368 0.590 1.00 1.10 N ATOM 499 CA GLY A 34 55.303 -2.783 -0.625 1.00 1.40 C ATOM 500 C GLY A 34 56.644 -2.152 -0.246 1.00 1.17 C ATOM 501 O GLY A 34 57.036 -1.136 -0.784 1.00 1.39 O ATOM 0 H GLY A 34 54.709 -4.385 0.654 1.00 1.10 H new ATOM 0 HA2 GLY A 34 55.453 -3.556 -1.378 1.00 1.40 H new ATOM 0 HA3 GLY A 34 54.647 -2.032 -1.065 1.00 1.40 H new ATOM 505 N SER A 35 57.351 -2.745 0.678 1.00 0.84 N ATOM 506 CA SER A 35 58.667 -2.179 1.091 1.00 0.70 C ATOM 507 C SER A 35 59.589 -3.296 1.589 1.00 0.67 C ATOM 508 O SER A 35 59.144 -4.369 1.942 1.00 0.80 O ATOM 509 CB SER A 35 58.342 -1.209 2.227 1.00 0.75 C ATOM 510 OG SER A 35 57.097 -0.576 1.962 1.00 1.04 O ATOM 0 H SER A 35 57.074 -3.597 1.165 1.00 0.84 H new ATOM 0 HA SER A 35 59.181 -1.685 0.267 1.00 0.70 H new ATOM 0 HB2 SER A 35 58.297 -1.744 3.176 1.00 0.75 H new ATOM 0 HB3 SER A 35 59.130 -0.462 2.320 1.00 0.75 H new ATOM 0 HG SER A 35 56.885 0.046 2.689 1.00 1.04 H new ATOM 516 N ILE A 36 60.870 -3.050 1.620 1.00 0.69 N ATOM 517 CA ILE A 36 61.820 -4.102 2.097 1.00 0.78 C ATOM 518 C ILE A 36 62.475 -3.654 3.406 1.00 0.71 C ATOM 519 O ILE A 36 63.373 -2.836 3.414 1.00 0.98 O ATOM 520 CB ILE A 36 62.887 -4.279 0.998 1.00 1.00 C ATOM 521 CG1 ILE A 36 62.659 -3.297 -0.162 1.00 1.09 C ATOM 522 CG2 ILE A 36 62.821 -5.708 0.460 1.00 1.36 C ATOM 523 CD1 ILE A 36 63.649 -3.596 -1.288 1.00 1.22 C ATOM 0 H ILE A 36 61.302 -2.170 1.337 1.00 0.69 H new ATOM 0 HA ILE A 36 61.303 -5.043 2.285 1.00 0.78 H new ATOM 0 HB ILE A 36 63.865 -4.078 1.434 1.00 1.00 H new ATOM 0 HG12 ILE A 36 61.637 -3.384 -0.530 1.00 1.09 H new ATOM 0 HG13 ILE A 36 62.786 -2.272 0.185 1.00 1.09 H new ATOM 0 HG21 ILE A 36 63.573 -5.839 -0.318 1.00 1.36 H new ATOM 0 HG22 ILE A 36 63.011 -6.411 1.271 1.00 1.36 H new ATOM 0 HG23 ILE A 36 61.831 -5.894 0.043 1.00 1.36 H new ATOM 0 HD11 ILE A 36 63.486 -2.899 -2.110 1.00 1.22 H new ATOM 0 HD12 ILE A 36 64.668 -3.487 -0.916 1.00 1.22 H new ATOM 0 HD13 ILE A 36 63.500 -4.616 -1.642 1.00 1.22 H new ATOM 535 N SER A 37 62.026 -4.180 4.513 1.00 0.87 N ATOM 536 CA SER A 37 62.617 -3.782 5.823 1.00 0.87 C ATOM 537 C SER A 37 63.925 -4.537 6.075 1.00 0.76 C ATOM 538 O SER A 37 64.277 -5.450 5.356 1.00 0.87 O ATOM 539 CB SER A 37 61.567 -4.169 6.862 1.00 1.12 C ATOM 540 OG SER A 37 60.433 -3.323 6.721 1.00 1.52 O ATOM 0 H SER A 37 61.275 -4.868 4.567 1.00 0.87 H new ATOM 0 HA SER A 37 62.858 -2.720 5.858 1.00 0.87 H new ATOM 0 HB2 SER A 37 61.276 -5.211 6.731 1.00 1.12 H new ATOM 0 HB3 SER A 37 61.981 -4.077 7.866 1.00 1.12 H new ATOM 0 HG SER A 37 59.617 -3.866 6.725 1.00 1.52 H new ATOM 546 N THR A 38 64.644 -4.159 7.097 1.00 0.71 N ATOM 547 CA THR A 38 65.930 -4.850 7.407 1.00 0.65 C ATOM 548 C THR A 38 65.777 -6.364 7.246 1.00 0.70 C ATOM 549 O THR A 38 66.693 -7.051 6.842 1.00 1.37 O ATOM 550 CB THR A 38 66.245 -4.494 8.864 1.00 0.76 C ATOM 551 OG1 THR A 38 67.121 -5.471 9.410 1.00 1.55 O ATOM 552 CG2 THR A 38 64.954 -4.457 9.678 1.00 1.00 C ATOM 0 H THR A 38 64.396 -3.400 7.732 1.00 0.71 H new ATOM 0 HA THR A 38 66.729 -4.539 6.733 1.00 0.65 H new ATOM 0 HB THR A 38 66.721 -3.514 8.900 1.00 0.76 H new ATOM 0 HG1 THR A 38 67.388 -5.202 10.314 1.00 1.55 H new ATOM 0 HG21 THR A 38 65.184 -4.204 10.713 1.00 1.00 H new ATOM 0 HG22 THR A 38 64.282 -3.707 9.261 1.00 1.00 H new ATOM 0 HG23 THR A 38 64.473 -5.434 9.642 1.00 1.00 H new ATOM 560 N LYS A 39 64.625 -6.890 7.560 1.00 0.60 N ATOM 561 CA LYS A 39 64.419 -8.361 7.425 1.00 0.66 C ATOM 562 C LYS A 39 64.096 -8.721 5.972 1.00 0.64 C ATOM 563 O LYS A 39 64.344 -9.823 5.527 1.00 0.87 O ATOM 564 CB LYS A 39 63.234 -8.683 8.336 1.00 0.81 C ATOM 565 CG LYS A 39 63.609 -9.831 9.276 1.00 1.42 C ATOM 566 CD LYS A 39 64.887 -9.471 10.039 1.00 1.58 C ATOM 567 CE LYS A 39 64.742 -9.893 11.504 1.00 2.15 C ATOM 568 NZ LYS A 39 65.963 -10.694 11.796 1.00 2.80 N ATOM 0 H LYS A 39 63.819 -6.367 7.903 1.00 0.60 H new ATOM 0 HA LYS A 39 65.308 -8.928 7.700 1.00 0.66 H new ATOM 0 HB2 LYS A 39 62.956 -7.802 8.914 1.00 0.81 H new ATOM 0 HB3 LYS A 39 62.366 -8.958 7.737 1.00 0.81 H new ATOM 0 HG2 LYS A 39 62.796 -10.021 9.977 1.00 1.42 H new ATOM 0 HG3 LYS A 39 63.759 -10.748 8.706 1.00 1.42 H new ATOM 0 HD2 LYS A 39 65.745 -9.970 9.589 1.00 1.58 H new ATOM 0 HD3 LYS A 39 65.072 -8.399 9.975 1.00 1.58 H new ATOM 0 HE2 LYS A 39 64.673 -9.025 12.160 1.00 2.15 H new ATOM 0 HE3 LYS A 39 63.838 -10.482 11.658 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 65.937 -11.019 12.783 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 65.998 -11.517 11.161 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 66.808 -10.106 11.648 1.00 2.80 H new ATOM 582 N GLU A 40 63.546 -7.799 5.230 1.00 0.63 N ATOM 583 CA GLU A 40 63.209 -8.091 3.807 1.00 0.68 C ATOM 584 C GLU A 40 64.326 -7.592 2.887 1.00 0.66 C ATOM 585 O GLU A 40 64.649 -8.212 1.894 1.00 0.83 O ATOM 586 CB GLU A 40 61.915 -7.322 3.540 1.00 0.86 C ATOM 587 CG GLU A 40 60.777 -8.309 3.278 1.00 1.05 C ATOM 588 CD GLU A 40 61.033 -9.047 1.962 1.00 1.54 C ATOM 589 OE1 GLU A 40 62.191 -9.257 1.640 1.00 1.92 O ATOM 590 OE2 GLU A 40 60.068 -9.388 1.299 1.00 2.32 O ATOM 0 H GLU A 40 63.316 -6.857 5.547 1.00 0.63 H new ATOM 0 HA GLU A 40 63.095 -9.159 3.621 1.00 0.68 H new ATOM 0 HB2 GLU A 40 61.673 -6.690 4.395 1.00 0.86 H new ATOM 0 HB3 GLU A 40 62.043 -6.662 2.682 1.00 0.86 H new ATOM 0 HG2 GLU A 40 60.704 -9.022 4.099 1.00 1.05 H new ATOM 0 HG3 GLU A 40 59.826 -7.779 3.231 1.00 1.05 H new ATOM 597 N LEU A 41 64.917 -6.474 3.210 1.00 0.73 N ATOM 598 CA LEU A 41 66.012 -5.933 2.354 1.00 0.80 C ATOM 599 C LEU A 41 67.288 -6.759 2.539 1.00 0.72 C ATOM 600 O LEU A 41 68.130 -6.821 1.665 1.00 0.81 O ATOM 601 CB LEU A 41 66.223 -4.500 2.840 1.00 1.10 C ATOM 602 CG LEU A 41 67.547 -3.965 2.291 1.00 1.23 C ATOM 603 CD1 LEU A 41 67.293 -2.674 1.512 1.00 1.94 C ATOM 604 CD2 LEU A 41 68.501 -3.680 3.453 1.00 1.83 C ATOM 0 H LEU A 41 64.689 -5.911 4.030 1.00 0.73 H new ATOM 0 HA LEU A 41 65.764 -5.970 1.293 1.00 0.80 H new ATOM 0 HB2 LEU A 41 65.398 -3.868 2.511 1.00 1.10 H new ATOM 0 HB3 LEU A 41 66.231 -4.472 3.930 1.00 1.10 H new ATOM 0 HG LEU A 41 67.992 -4.707 1.628 1.00 1.23 H new ATOM 0 HD11 LEU A 41 68.237 -2.293 1.121 1.00 1.94 H new ATOM 0 HD12 LEU A 41 66.613 -2.876 0.685 1.00 1.94 H new ATOM 0 HD13 LEU A 41 66.848 -1.931 2.174 1.00 1.94 H new ATOM 0 HD21 LEU A 41 69.445 -3.299 3.064 1.00 1.83 H new ATOM 0 HD22 LEU A 41 68.056 -2.938 4.116 1.00 1.83 H new ATOM 0 HD23 LEU A 41 68.683 -4.600 4.009 1.00 1.83 H new ATOM 616 N GLY A 42 67.439 -7.391 3.669 1.00 0.72 N ATOM 617 CA GLY A 42 68.660 -8.210 3.910 1.00 0.91 C ATOM 618 C GLY A 42 68.974 -9.040 2.664 1.00 0.78 C ATOM 619 O GLY A 42 70.091 -9.061 2.186 1.00 0.84 O ATOM 0 H GLY A 42 66.769 -7.376 4.438 1.00 0.72 H new ATOM 0 HA2 GLY A 42 69.503 -7.562 4.150 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.507 -8.866 4.767 1.00 0.91 H new ATOM 623 N LYS A 43 67.998 -9.727 2.134 1.00 0.77 N ATOM 624 CA LYS A 43 68.246 -10.554 0.918 1.00 0.86 C ATOM 625 C LYS A 43 68.652 -9.659 -0.255 1.00 0.79 C ATOM 626 O LYS A 43 69.373 -10.071 -1.143 1.00 0.99 O ATOM 627 CB LYS A 43 66.914 -11.247 0.629 1.00 0.95 C ATOM 628 CG LYS A 43 66.700 -12.384 1.630 1.00 1.34 C ATOM 629 CD LYS A 43 66.189 -11.811 2.953 1.00 2.13 C ATOM 630 CE LYS A 43 65.402 -12.886 3.705 1.00 2.65 C ATOM 631 NZ LYS A 43 63.970 -12.569 3.443 1.00 2.98 N ATOM 0 H LYS A 43 67.042 -9.751 2.489 1.00 0.77 H new ATOM 0 HA LYS A 43 69.053 -11.271 1.065 1.00 0.86 H new ATOM 0 HB2 LYS A 43 66.097 -10.529 0.698 1.00 0.95 H new ATOM 0 HB3 LYS A 43 66.909 -11.639 -0.388 1.00 0.95 H new ATOM 0 HG2 LYS A 43 65.984 -13.103 1.232 1.00 1.34 H new ATOM 0 HG3 LYS A 43 67.635 -12.921 1.791 1.00 1.34 H new ATOM 0 HD2 LYS A 43 67.026 -11.467 3.560 1.00 2.13 H new ATOM 0 HD3 LYS A 43 65.554 -10.945 2.765 1.00 2.13 H new ATOM 0 HE2 LYS A 43 65.657 -13.884 3.348 1.00 2.65 H new ATOM 0 HE3 LYS A 43 65.623 -12.863 4.772 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 63.366 -13.264 3.927 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 63.755 -11.616 3.799 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 63.788 -12.605 2.420 1.00 2.98 H new ATOM 645 N VAL A 44 68.200 -8.436 -0.264 1.00 0.72 N ATOM 646 CA VAL A 44 68.563 -7.515 -1.379 1.00 0.93 C ATOM 647 C VAL A 44 70.022 -7.076 -1.241 1.00 0.89 C ATOM 648 O VAL A 44 70.800 -7.170 -2.170 1.00 1.06 O ATOM 649 CB VAL A 44 67.627 -6.316 -1.222 1.00 1.18 C ATOM 650 CG1 VAL A 44 67.962 -5.264 -2.282 1.00 1.72 C ATOM 651 CG2 VAL A 44 66.179 -6.776 -1.402 1.00 1.80 C ATOM 0 H VAL A 44 67.595 -8.034 0.452 1.00 0.72 H new ATOM 0 HA VAL A 44 68.461 -7.986 -2.357 1.00 0.93 H new ATOM 0 HB VAL A 44 67.753 -5.884 -0.229 1.00 1.18 H new ATOM 0 HG11 VAL A 44 67.295 -4.409 -2.170 1.00 1.72 H new ATOM 0 HG12 VAL A 44 68.994 -4.937 -2.157 1.00 1.72 H new ATOM 0 HG13 VAL A 44 67.836 -5.695 -3.275 1.00 1.72 H new ATOM 0 HG21 VAL A 44 65.510 -5.923 -1.290 1.00 1.80 H new ATOM 0 HG22 VAL A 44 66.055 -7.207 -2.395 1.00 1.80 H new ATOM 0 HG23 VAL A 44 65.939 -7.526 -0.648 1.00 1.80 H new ATOM 661 N MET A 45 70.398 -6.597 -0.088 1.00 0.86 N ATOM 662 CA MET A 45 71.806 -6.152 0.113 1.00 1.06 C ATOM 663 C MET A 45 72.778 -7.192 -0.450 1.00 1.08 C ATOM 664 O MET A 45 73.662 -6.875 -1.222 1.00 1.14 O ATOM 665 CB MET A 45 71.967 -6.030 1.627 1.00 1.34 C ATOM 666 CG MET A 45 71.258 -4.765 2.113 1.00 1.88 C ATOM 667 SD MET A 45 71.910 -4.292 3.735 1.00 2.45 S ATOM 668 CE MET A 45 72.715 -2.757 3.216 1.00 3.35 C ATOM 0 H MET A 45 69.791 -6.494 0.725 1.00 0.86 H new ATOM 0 HA MET A 45 72.020 -5.213 -0.398 1.00 1.06 H new ATOM 0 HB2 MET A 45 71.548 -6.907 2.120 1.00 1.34 H new ATOM 0 HB3 MET A 45 73.024 -5.991 1.889 1.00 1.34 H new ATOM 0 HG2 MET A 45 71.407 -3.955 1.399 1.00 1.88 H new ATOM 0 HG3 MET A 45 70.184 -4.939 2.178 1.00 1.88 H new ATOM 0 HE1 MET A 45 73.796 -2.898 3.206 1.00 3.35 H new ATOM 0 HE2 MET A 45 72.375 -2.488 2.216 1.00 3.35 H new ATOM 0 HE3 MET A 45 72.460 -1.959 3.913 1.00 3.35 H new ATOM 678 N ARG A 46 72.623 -8.430 -0.070 1.00 1.20 N ATOM 679 CA ARG A 46 73.543 -9.484 -0.589 1.00 1.46 C ATOM 680 C ARG A 46 73.736 -9.315 -2.095 1.00 1.52 C ATOM 681 O ARG A 46 74.785 -9.607 -2.634 1.00 1.73 O ATOM 682 CB ARG A 46 72.840 -10.807 -0.282 1.00 1.74 C ATOM 683 CG ARG A 46 73.874 -11.839 0.173 1.00 1.93 C ATOM 684 CD ARG A 46 73.510 -12.347 1.569 1.00 2.48 C ATOM 685 NE ARG A 46 73.266 -13.805 1.392 1.00 2.64 N ATOM 686 CZ ARG A 46 74.265 -14.646 1.445 1.00 3.08 C ATOM 687 NH1 ARG A 46 75.021 -14.826 0.398 1.00 3.41 N ATOM 688 NH2 ARG A 46 74.505 -15.303 2.546 1.00 3.64 N ATOM 0 H ARG A 46 71.903 -8.758 0.574 1.00 1.20 H new ATOM 0 HA ARG A 46 74.532 -9.434 -0.134 1.00 1.46 H new ATOM 0 HB2 ARG A 46 72.090 -10.661 0.495 1.00 1.74 H new ATOM 0 HB3 ARG A 46 72.316 -11.167 -1.167 1.00 1.74 H new ATOM 0 HG2 ARG A 46 73.907 -12.671 -0.531 1.00 1.93 H new ATOM 0 HG3 ARG A 46 74.868 -11.392 0.185 1.00 1.93 H new ATOM 0 HD2 ARG A 46 74.317 -12.164 2.279 1.00 2.48 H new ATOM 0 HD3 ARG A 46 72.625 -11.842 1.955 1.00 2.48 H new ATOM 0 HE ARG A 46 72.319 -14.148 1.229 1.00 2.64 H new ATOM 0 HH11 ARG A 46 74.833 -14.311 -0.462 1.00 3.41 H new ATOM 0 HH12 ARG A 46 75.801 -15.482 0.439 1.00 3.41 H new ATOM 0 HH21 ARG A 46 73.913 -15.160 3.364 1.00 3.64 H new ATOM 0 HH22 ARG A 46 75.284 -15.960 2.588 1.00 3.64 H new ATOM 702 N MET A 47 72.732 -8.842 -2.779 1.00 1.46 N ATOM 703 CA MET A 47 72.859 -8.650 -4.252 1.00 1.73 C ATOM 704 C MET A 47 73.608 -7.349 -4.551 1.00 1.75 C ATOM 705 O MET A 47 74.388 -7.272 -5.479 1.00 2.01 O ATOM 706 CB MET A 47 71.421 -8.579 -4.767 1.00 1.70 C ATOM 707 CG MET A 47 70.595 -9.695 -4.128 1.00 1.96 C ATOM 708 SD MET A 47 69.872 -10.728 -5.425 1.00 1.94 S ATOM 709 CE MET A 47 68.867 -9.440 -6.204 1.00 1.52 C ATOM 0 H MET A 47 71.829 -8.580 -2.383 1.00 1.46 H new ATOM 0 HA MET A 47 73.420 -9.453 -4.729 1.00 1.73 H new ATOM 0 HB2 MET A 47 70.986 -7.608 -4.529 1.00 1.70 H new ATOM 0 HB3 MET A 47 71.407 -8.677 -5.852 1.00 1.70 H new ATOM 0 HG2 MET A 47 71.224 -10.300 -3.475 1.00 1.96 H new ATOM 0 HG3 MET A 47 69.808 -9.269 -3.506 1.00 1.96 H new ATOM 0 HE1 MET A 47 67.845 -9.799 -6.325 1.00 1.52 H new ATOM 0 HE2 MET A 47 68.866 -8.549 -5.576 1.00 1.52 H new ATOM 0 HE3 MET A 47 69.283 -9.195 -7.181 1.00 1.52 H new ATOM 719 N LEU A 48 73.379 -6.329 -3.771 1.00 1.60 N ATOM 720 CA LEU A 48 74.082 -5.034 -4.013 1.00 1.69 C ATOM 721 C LEU A 48 75.464 -5.046 -3.351 1.00 1.68 C ATOM 722 O LEU A 48 75.875 -4.084 -2.735 1.00 1.99 O ATOM 723 CB LEU A 48 73.191 -3.964 -3.374 1.00 1.73 C ATOM 724 CG LEU A 48 71.912 -3.779 -4.200 1.00 1.75 C ATOM 725 CD1 LEU A 48 72.258 -3.717 -5.688 1.00 1.86 C ATOM 726 CD2 LEU A 48 70.968 -4.956 -3.952 1.00 2.15 C ATOM 0 H LEU A 48 72.738 -6.334 -2.978 1.00 1.60 H new ATOM 0 HA LEU A 48 74.240 -4.848 -5.075 1.00 1.69 H new ATOM 0 HB2 LEU A 48 72.936 -4.254 -2.355 1.00 1.73 H new ATOM 0 HB3 LEU A 48 73.732 -3.020 -3.311 1.00 1.73 H new ATOM 0 HG LEU A 48 71.428 -2.849 -3.902 1.00 1.75 H new ATOM 0 HD11 LEU A 48 71.345 -3.586 -6.269 1.00 1.86 H new ATOM 0 HD12 LEU A 48 72.928 -2.877 -5.871 1.00 1.86 H new ATOM 0 HD13 LEU A 48 72.748 -4.644 -5.987 1.00 1.86 H new ATOM 0 HD21 LEU A 48 70.059 -4.824 -4.539 1.00 2.15 H new ATOM 0 HD22 LEU A 48 71.458 -5.884 -4.246 1.00 2.15 H new ATOM 0 HD23 LEU A 48 70.712 -5.001 -2.893 1.00 2.15 H new ATOM 738 N GLY A 49 76.184 -6.128 -3.479 1.00 1.63 N ATOM 739 CA GLY A 49 77.541 -6.201 -2.864 1.00 1.87 C ATOM 740 C GLY A 49 77.459 -5.869 -1.373 1.00 1.54 C ATOM 741 O GLY A 49 78.383 -5.329 -0.797 1.00 1.53 O ATOM 0 H GLY A 49 75.891 -6.965 -3.983 1.00 1.63 H new ATOM 0 HA2 GLY A 49 77.958 -7.199 -3.000 1.00 1.87 H new ATOM 0 HA3 GLY A 49 78.214 -5.504 -3.364 1.00 1.87 H new ATOM 745 N GLN A 50 76.365 -6.189 -0.738 1.00 1.37 N ATOM 746 CA GLN A 50 76.235 -5.889 0.718 1.00 1.17 C ATOM 747 C GLN A 50 76.028 -7.184 1.507 1.00 1.24 C ATOM 748 O GLN A 50 75.137 -7.959 1.224 1.00 1.75 O ATOM 749 CB GLN A 50 75.003 -4.995 0.834 1.00 1.29 C ATOM 750 CG GLN A 50 75.219 -3.716 0.023 1.00 1.28 C ATOM 751 CD GLN A 50 75.342 -2.526 0.975 1.00 1.41 C ATOM 752 OE1 GLN A 50 74.294 -1.783 1.209 1.00 1.89 O flip ATOM 753 NE2 GLN A 50 76.401 -2.270 1.511 1.00 1.85 N flip ATOM 0 H GLN A 50 75.557 -6.644 -1.162 1.00 1.37 H new ATOM 0 HA GLN A 50 77.127 -5.408 1.119 1.00 1.17 H new ATOM 0 HB2 GLN A 50 74.122 -5.524 0.470 1.00 1.29 H new ATOM 0 HB3 GLN A 50 74.818 -4.748 1.879 1.00 1.29 H new ATOM 0 HG2 GLN A 50 76.120 -3.805 -0.584 1.00 1.28 H new ATOM 0 HG3 GLN A 50 74.386 -3.562 -0.663 1.00 1.28 H new ATOM 0 HE21 GLN A 50 77.219 -2.851 1.328 1.00 1.85 H new ATOM 0 HE22 GLN A 50 76.473 -1.474 2.145 1.00 1.85 H new ATOM 762 N ASN A 51 76.841 -7.423 2.497 1.00 1.18 N ATOM 763 CA ASN A 51 76.686 -8.667 3.304 1.00 1.29 C ATOM 764 C ASN A 51 76.747 -8.340 4.798 1.00 1.07 C ATOM 765 O ASN A 51 77.493 -8.951 5.538 1.00 1.45 O ATOM 766 CB ASN A 51 77.868 -9.550 2.899 1.00 1.96 C ATOM 767 CG ASN A 51 77.858 -10.833 3.731 1.00 2.61 C ATOM 768 OD1 ASN A 51 76.923 -11.088 4.464 1.00 3.07 O ATOM 769 ND2 ASN A 51 78.866 -11.657 3.649 1.00 3.29 N ATOM 0 H ASN A 51 77.606 -6.812 2.783 1.00 1.18 H new ATOM 0 HA ASN A 51 75.729 -9.159 3.126 1.00 1.29 H new ATOM 0 HB2 ASN A 51 77.807 -9.792 1.838 1.00 1.96 H new ATOM 0 HB3 ASN A 51 78.805 -9.013 3.051 1.00 1.96 H new ATOM 0 HD21 ASN A 51 78.869 -12.515 4.200 1.00 3.29 H new ATOM 0 HD22 ASN A 51 79.651 -11.443 3.034 1.00 3.29 H new ATOM 776 N PRO A 52 75.954 -7.381 5.190 1.00 1.47 N ATOM 777 CA PRO A 52 75.910 -6.961 6.612 1.00 2.11 C ATOM 778 C PRO A 52 75.224 -8.033 7.465 1.00 1.79 C ATOM 779 O PRO A 52 74.637 -8.965 6.954 1.00 2.07 O ATOM 780 CB PRO A 52 75.086 -5.676 6.581 1.00 2.97 C ATOM 781 CG PRO A 52 74.245 -5.788 5.349 1.00 2.97 C ATOM 782 CD PRO A 52 75.031 -6.604 4.356 1.00 2.03 C ATOM 0 HA PRO A 52 76.898 -6.815 7.048 1.00 2.11 H new ATOM 0 HB2 PRO A 52 74.468 -5.581 7.474 1.00 2.97 H new ATOM 0 HB3 PRO A 52 75.728 -4.796 6.543 1.00 2.97 H new ATOM 0 HG2 PRO A 52 73.292 -6.267 5.574 1.00 2.97 H new ATOM 0 HG3 PRO A 52 74.018 -4.801 4.945 1.00 2.97 H new ATOM 0 HD2 PRO A 52 74.381 -7.252 3.768 1.00 2.03 H new ATOM 0 HD3 PRO A 52 75.568 -5.968 3.652 1.00 2.03 H new ATOM 790 N THR A 53 75.297 -7.907 8.762 1.00 1.42 N ATOM 791 CA THR A 53 74.652 -8.920 9.646 1.00 1.16 C ATOM 792 C THR A 53 73.220 -8.492 9.983 1.00 0.98 C ATOM 793 O THR A 53 72.825 -7.376 9.714 1.00 0.92 O ATOM 794 CB THR A 53 75.514 -8.952 10.910 1.00 1.19 C ATOM 795 OG1 THR A 53 76.334 -7.791 10.954 1.00 1.40 O ATOM 796 CG2 THR A 53 76.396 -10.201 10.895 1.00 1.36 C ATOM 0 H THR A 53 75.775 -7.148 9.248 1.00 1.42 H new ATOM 0 HA THR A 53 74.588 -9.900 9.173 1.00 1.16 H new ATOM 0 HB THR A 53 74.870 -8.974 11.789 1.00 1.19 H new ATOM 0 HG1 THR A 53 76.812 -7.760 11.809 1.00 1.40 H new ATOM 0 HG21 THR A 53 77.010 -10.224 11.795 1.00 1.36 H new ATOM 0 HG22 THR A 53 75.767 -11.090 10.862 1.00 1.36 H new ATOM 0 HG23 THR A 53 77.041 -10.180 10.017 1.00 1.36 H new ATOM 804 N PRO A 54 72.491 -9.405 10.565 1.00 0.99 N ATOM 805 CA PRO A 54 71.084 -9.128 10.949 1.00 1.04 C ATOM 806 C PRO A 54 71.036 -8.180 12.150 1.00 0.93 C ATOM 807 O PRO A 54 70.152 -7.355 12.266 1.00 0.94 O ATOM 808 CB PRO A 54 70.538 -10.505 11.318 1.00 1.19 C ATOM 809 CG PRO A 54 71.739 -11.306 11.709 1.00 1.18 C ATOM 810 CD PRO A 54 72.903 -10.768 10.917 1.00 1.10 C ATOM 0 HA PRO A 54 70.509 -8.645 10.159 1.00 1.04 H new ATOM 0 HB2 PRO A 54 69.823 -10.439 12.138 1.00 1.19 H new ATOM 0 HB3 PRO A 54 70.016 -10.961 10.477 1.00 1.19 H new ATOM 0 HG2 PRO A 54 71.928 -11.221 12.779 1.00 1.18 H new ATOM 0 HG3 PRO A 54 71.583 -12.364 11.496 1.00 1.18 H new ATOM 0 HD2 PRO A 54 73.821 -10.769 11.505 1.00 1.10 H new ATOM 0 HD3 PRO A 54 73.094 -11.370 10.028 1.00 1.10 H new ATOM 818 N GLU A 55 71.980 -8.291 13.044 1.00 0.98 N ATOM 819 CA GLU A 55 71.986 -7.395 14.236 1.00 1.08 C ATOM 820 C GLU A 55 72.376 -5.972 13.827 1.00 0.97 C ATOM 821 O GLU A 55 71.787 -5.005 14.269 1.00 1.01 O ATOM 822 CB GLU A 55 73.037 -7.990 15.173 1.00 1.28 C ATOM 823 CG GLU A 55 72.372 -8.423 16.481 1.00 2.15 C ATOM 824 CD GLU A 55 73.440 -8.905 17.463 1.00 2.57 C ATOM 825 OE1 GLU A 55 73.862 -10.043 17.336 1.00 2.81 O ATOM 826 OE2 GLU A 55 73.818 -8.130 18.326 1.00 3.14 O ATOM 0 H GLU A 55 72.747 -8.962 13.001 1.00 0.98 H new ATOM 0 HA GLU A 55 71.006 -7.332 14.710 1.00 1.08 H new ATOM 0 HB2 GLU A 55 73.520 -8.844 14.699 1.00 1.28 H new ATOM 0 HB3 GLU A 55 73.816 -7.255 15.375 1.00 1.28 H new ATOM 0 HG2 GLU A 55 71.817 -7.590 16.912 1.00 2.15 H new ATOM 0 HG3 GLU A 55 71.653 -9.220 16.289 1.00 2.15 H new ATOM 833 N GLU A 56 73.364 -5.837 12.985 1.00 0.92 N ATOM 834 CA GLU A 56 73.793 -4.477 12.548 1.00 0.94 C ATOM 835 C GLU A 56 72.777 -3.891 11.563 1.00 0.84 C ATOM 836 O GLU A 56 72.578 -2.695 11.499 1.00 0.94 O ATOM 837 CB GLU A 56 75.142 -4.690 11.862 1.00 1.06 C ATOM 838 CG GLU A 56 76.268 -4.503 12.880 1.00 1.60 C ATOM 839 CD GLU A 56 77.165 -5.741 12.883 1.00 1.83 C ATOM 840 OE1 GLU A 56 76.676 -6.802 13.237 1.00 2.08 O ATOM 841 OE2 GLU A 56 78.325 -5.609 12.531 1.00 2.50 O ATOM 0 H GLU A 56 73.893 -6.610 12.580 1.00 0.92 H new ATOM 0 HA GLU A 56 73.864 -3.779 13.382 1.00 0.94 H new ATOM 0 HB2 GLU A 56 75.189 -5.690 11.432 1.00 1.06 H new ATOM 0 HB3 GLU A 56 75.259 -3.984 11.040 1.00 1.06 H new ATOM 0 HG2 GLU A 56 76.853 -3.618 12.632 1.00 1.60 H new ATOM 0 HG3 GLU A 56 75.851 -4.341 13.874 1.00 1.60 H new ATOM 848 N LEU A 57 72.135 -4.726 10.792 1.00 0.73 N ATOM 849 CA LEU A 57 71.136 -4.216 9.810 1.00 0.78 C ATOM 850 C LEU A 57 70.200 -3.206 10.481 1.00 0.80 C ATOM 851 O LEU A 57 70.067 -2.081 10.042 1.00 0.89 O ATOM 852 CB LEU A 57 70.358 -5.452 9.361 1.00 0.85 C ATOM 853 CG LEU A 57 70.808 -5.853 7.955 1.00 0.84 C ATOM 854 CD1 LEU A 57 70.372 -7.291 7.669 1.00 1.30 C ATOM 855 CD2 LEU A 57 70.167 -4.913 6.931 1.00 1.10 C ATOM 0 H LEU A 57 72.259 -5.738 10.800 1.00 0.73 H new ATOM 0 HA LEU A 57 71.606 -3.702 8.971 1.00 0.78 H new ATOM 0 HB2 LEU A 57 70.526 -6.274 10.057 1.00 0.85 H new ATOM 0 HB3 LEU A 57 69.288 -5.244 9.367 1.00 0.85 H new ATOM 0 HG LEU A 57 71.894 -5.784 7.886 1.00 0.84 H new ATOM 0 HD11 LEU A 57 70.693 -7.576 6.667 1.00 1.30 H new ATOM 0 HD12 LEU A 57 70.825 -7.961 8.400 1.00 1.30 H new ATOM 0 HD13 LEU A 57 69.286 -7.362 7.736 1.00 1.30 H new ATOM 0 HD21 LEU A 57 70.486 -5.196 5.928 1.00 1.10 H new ATOM 0 HD22 LEU A 57 69.082 -4.985 7.001 1.00 1.10 H new ATOM 0 HD23 LEU A 57 70.477 -3.888 7.134 1.00 1.10 H new ATOM 867 N GLN A 58 69.548 -3.601 11.540 1.00 0.81 N ATOM 868 CA GLN A 58 68.619 -2.665 12.238 1.00 0.95 C ATOM 869 C GLN A 58 69.321 -1.336 12.530 1.00 0.99 C ATOM 870 O GLN A 58 68.730 -0.278 12.439 1.00 1.13 O ATOM 871 CB GLN A 58 68.248 -3.372 13.541 1.00 1.09 C ATOM 872 CG GLN A 58 67.115 -2.609 14.230 1.00 1.25 C ATOM 873 CD GLN A 58 65.874 -2.619 13.337 1.00 1.41 C ATOM 874 OE1 GLN A 58 65.453 -3.661 12.876 1.00 1.97 O ATOM 875 NE2 GLN A 58 65.268 -1.496 13.071 1.00 1.74 N ATOM 0 H GLN A 58 69.618 -4.531 11.953 1.00 0.81 H new ATOM 0 HA GLN A 58 67.741 -2.433 11.635 1.00 0.95 H new ATOM 0 HB2 GLN A 58 67.939 -4.397 13.336 1.00 1.09 H new ATOM 0 HB3 GLN A 58 69.116 -3.426 14.198 1.00 1.09 H new ATOM 0 HG2 GLN A 58 66.887 -3.067 15.192 1.00 1.25 H new ATOM 0 HG3 GLN A 58 67.423 -1.583 14.431 1.00 1.25 H new ATOM 0 HE21 GLN A 58 65.622 -0.621 13.458 1.00 1.74 H new ATOM 0 HE22 GLN A 58 64.440 -1.492 12.476 1.00 1.74 H new ATOM 884 N GLU A 59 70.575 -1.380 12.887 1.00 0.97 N ATOM 885 CA GLU A 59 71.310 -0.118 13.188 1.00 1.14 C ATOM 886 C GLU A 59 71.522 0.693 11.907 1.00 1.11 C ATOM 887 O GLU A 59 71.569 1.908 11.930 1.00 1.18 O ATOM 888 CB GLU A 59 72.652 -0.568 13.765 1.00 1.23 C ATOM 889 CG GLU A 59 73.394 0.643 14.334 1.00 1.60 C ATOM 890 CD GLU A 59 74.903 0.408 14.240 1.00 2.19 C ATOM 891 OE1 GLU A 59 75.354 -0.620 14.717 1.00 2.77 O ATOM 892 OE2 GLU A 59 75.584 1.262 13.694 1.00 2.75 O ATOM 0 H GLU A 59 71.123 -2.235 12.983 1.00 0.97 H new ATOM 0 HA GLU A 59 70.762 0.522 13.880 1.00 1.14 H new ATOM 0 HB2 GLU A 59 72.493 -1.311 14.547 1.00 1.23 H new ATOM 0 HB3 GLU A 59 73.252 -1.044 12.990 1.00 1.23 H new ATOM 0 HG2 GLU A 59 73.120 1.542 13.783 1.00 1.60 H new ATOM 0 HG3 GLU A 59 73.105 0.805 15.372 1.00 1.60 H new ATOM 899 N MET A 60 71.653 0.032 10.791 1.00 1.11 N ATOM 900 CA MET A 60 71.863 0.765 9.509 1.00 1.18 C ATOM 901 C MET A 60 70.645 1.636 9.189 1.00 1.13 C ATOM 902 O MET A 60 70.759 2.828 8.979 1.00 1.25 O ATOM 903 CB MET A 60 72.032 -0.327 8.453 1.00 1.22 C ATOM 904 CG MET A 60 73.006 0.151 7.374 1.00 1.62 C ATOM 905 SD MET A 60 72.075 0.864 5.995 1.00 1.82 S ATOM 906 CE MET A 60 73.495 1.472 5.054 1.00 2.02 C ATOM 0 H MET A 60 71.624 -0.984 10.710 1.00 1.11 H new ATOM 0 HA MET A 60 72.725 1.430 9.551 1.00 1.18 H new ATOM 0 HB2 MET A 60 72.406 -1.240 8.916 1.00 1.22 H new ATOM 0 HB3 MET A 60 71.067 -0.568 8.006 1.00 1.22 H new ATOM 0 HG2 MET A 60 73.689 0.893 7.788 1.00 1.62 H new ATOM 0 HG3 MET A 60 73.615 -0.682 7.024 1.00 1.62 H new ATOM 0 HE1 MET A 60 73.146 1.959 4.143 1.00 2.02 H new ATOM 0 HE2 MET A 60 74.052 2.188 5.658 1.00 2.02 H new ATOM 0 HE3 MET A 60 74.144 0.636 4.793 1.00 2.02 H new ATOM 916 N ILE A 61 69.480 1.049 9.146 1.00 1.04 N ATOM 917 CA ILE A 61 68.256 1.841 8.835 1.00 1.11 C ATOM 918 C ILE A 61 68.004 2.886 9.926 1.00 1.23 C ATOM 919 O ILE A 61 67.670 4.021 9.646 1.00 1.40 O ATOM 920 CB ILE A 61 67.122 0.814 8.800 1.00 1.13 C ATOM 921 CG1 ILE A 61 67.175 0.044 7.478 1.00 1.17 C ATOM 922 CG2 ILE A 61 65.774 1.528 8.916 1.00 1.36 C ATOM 923 CD1 ILE A 61 67.546 -1.413 7.750 1.00 1.14 C ATOM 0 H ILE A 61 69.323 0.055 9.313 1.00 1.04 H new ATOM 0 HA ILE A 61 68.344 2.385 7.895 1.00 1.11 H new ATOM 0 HB ILE A 61 67.237 0.122 9.634 1.00 1.13 H new ATOM 0 HG12 ILE A 61 66.209 0.096 6.976 1.00 1.17 H new ATOM 0 HG13 ILE A 61 67.907 0.498 6.810 1.00 1.17 H new ATOM 0 HG21 ILE A 61 64.970 0.793 8.891 1.00 1.36 H new ATOM 0 HG22 ILE A 61 65.733 2.078 9.856 1.00 1.36 H new ATOM 0 HG23 ILE A 61 65.657 2.222 8.084 1.00 1.36 H new ATOM 0 HD11 ILE A 61 67.584 -1.961 6.808 1.00 1.14 H new ATOM 0 HD12 ILE A 61 68.522 -1.456 8.234 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.798 -1.863 8.402 1.00 1.14 H new ATOM 935 N ASP A 62 68.161 2.513 11.167 1.00 1.23 N ATOM 936 CA ASP A 62 67.926 3.484 12.276 1.00 1.43 C ATOM 937 C ASP A 62 68.515 4.854 11.924 1.00 1.48 C ATOM 938 O ASP A 62 68.055 5.877 12.390 1.00 1.67 O ATOM 939 CB ASP A 62 68.647 2.887 13.486 1.00 1.51 C ATOM 940 CG ASP A 62 67.887 3.252 14.763 1.00 1.54 C ATOM 941 OD1 ASP A 62 66.721 2.905 14.854 1.00 1.79 O ATOM 942 OD2 ASP A 62 68.484 3.871 15.628 1.00 2.13 O ATOM 0 H ASP A 62 68.442 1.578 11.462 1.00 1.23 H new ATOM 0 HA ASP A 62 66.864 3.638 12.467 1.00 1.43 H new ATOM 0 HB2 ASP A 62 68.712 1.804 13.386 1.00 1.51 H new ATOM 0 HB3 ASP A 62 69.668 3.265 13.537 1.00 1.51 H new ATOM 947 N GLU A 63 69.530 4.883 11.104 1.00 1.41 N ATOM 948 CA GLU A 63 70.144 6.189 10.725 1.00 1.52 C ATOM 949 C GLU A 63 69.416 6.786 9.517 1.00 1.47 C ATOM 950 O GLU A 63 69.128 7.966 9.474 1.00 1.80 O ATOM 951 CB GLU A 63 71.592 5.856 10.368 1.00 1.55 C ATOM 952 CG GLU A 63 72.465 5.958 11.621 1.00 2.11 C ATOM 953 CD GLU A 63 72.789 7.428 11.900 1.00 2.26 C ATOM 954 OE1 GLU A 63 71.907 8.129 12.370 1.00 2.32 O ATOM 955 OE2 GLU A 63 73.911 7.826 11.639 1.00 2.93 O ATOM 0 H GLU A 63 69.960 4.061 10.680 1.00 1.41 H new ATOM 0 HA GLU A 63 70.081 6.924 11.528 1.00 1.52 H new ATOM 0 HB2 GLU A 63 71.653 4.851 9.951 1.00 1.55 H new ATOM 0 HB3 GLU A 63 71.955 6.541 9.602 1.00 1.55 H new ATOM 0 HG2 GLU A 63 71.947 5.521 12.474 1.00 2.11 H new ATOM 0 HG3 GLU A 63 73.386 5.392 11.482 1.00 2.11 H new ATOM 962 N VAL A 64 69.119 5.981 8.534 1.00 1.33 N ATOM 963 CA VAL A 64 68.411 6.504 7.329 1.00 1.29 C ATOM 964 C VAL A 64 66.904 6.570 7.589 1.00 1.21 C ATOM 965 O VAL A 64 66.191 7.334 6.969 1.00 1.50 O ATOM 966 CB VAL A 64 68.721 5.498 6.221 1.00 1.40 C ATOM 967 CG1 VAL A 64 70.218 5.187 6.218 1.00 1.69 C ATOM 968 CG2 VAL A 64 67.935 4.208 6.469 1.00 1.31 C ATOM 0 H VAL A 64 69.335 4.984 8.512 1.00 1.33 H new ATOM 0 HA VAL A 64 68.732 7.512 7.066 1.00 1.29 H new ATOM 0 HB VAL A 64 68.435 5.920 5.258 1.00 1.40 H new ATOM 0 HG11 VAL A 64 70.439 4.470 5.428 1.00 1.69 H new ATOM 0 HG12 VAL A 64 70.780 6.104 6.043 1.00 1.69 H new ATOM 0 HG13 VAL A 64 70.504 4.765 7.181 1.00 1.69 H new ATOM 0 HG21 VAL A 64 68.156 3.490 5.679 1.00 1.31 H new ATOM 0 HG22 VAL A 64 68.222 3.787 7.433 1.00 1.31 H new ATOM 0 HG23 VAL A 64 66.867 4.427 6.472 1.00 1.31 H new ATOM 978 N ASP A 65 66.414 5.777 8.501 1.00 1.27 N ATOM 979 CA ASP A 65 64.954 5.794 8.799 1.00 1.38 C ATOM 980 C ASP A 65 64.611 6.990 9.693 1.00 2.07 C ATOM 981 O ASP A 65 65.170 7.161 10.758 1.00 2.61 O ATOM 982 CB ASP A 65 64.683 4.481 9.534 1.00 1.38 C ATOM 983 CG ASP A 65 63.554 3.725 8.832 1.00 1.66 C ATOM 984 OD1 ASP A 65 63.600 3.626 7.617 1.00 1.47 O ATOM 985 OD2 ASP A 65 62.664 3.256 9.522 1.00 2.59 O ATOM 0 H ASP A 65 66.962 5.117 9.053 1.00 1.27 H new ATOM 0 HA ASP A 65 64.350 5.887 7.897 1.00 1.38 H new ATOM 0 HB2 ASP A 65 65.586 3.871 9.554 1.00 1.38 H new ATOM 0 HB3 ASP A 65 64.411 4.682 10.570 1.00 1.38 H new ATOM 990 N GLU A 66 63.694 7.816 9.269 1.00 2.65 N ATOM 991 CA GLU A 66 63.316 8.998 10.096 1.00 3.74 C ATOM 992 C GLU A 66 62.095 8.667 10.958 1.00 4.00 C ATOM 993 O GLU A 66 61.783 9.366 11.903 1.00 4.93 O ATOM 994 CB GLU A 66 62.980 10.096 9.087 1.00 4.58 C ATOM 995 CG GLU A 66 64.263 10.577 8.408 1.00 5.25 C ATOM 996 CD GLU A 66 64.700 11.906 9.026 1.00 6.17 C ATOM 997 OE1 GLU A 66 65.080 11.901 10.185 1.00 6.67 O ATOM 998 OE2 GLU A 66 64.647 12.906 8.329 1.00 6.61 O ATOM 0 H GLU A 66 63.190 7.724 8.387 1.00 2.65 H new ATOM 0 HA GLU A 66 64.113 9.301 10.775 1.00 3.74 H new ATOM 0 HB2 GLU A 66 62.281 9.717 8.341 1.00 4.58 H new ATOM 0 HB3 GLU A 66 62.488 10.929 9.590 1.00 4.58 H new ATOM 0 HG2 GLU A 66 65.050 9.833 8.526 1.00 5.25 H new ATOM 0 HG3 GLU A 66 64.097 10.699 7.338 1.00 5.25 H new ATOM 1005 N ASP A 67 61.404 7.608 10.641 1.00 3.32 N ATOM 1006 CA ASP A 67 60.204 7.232 11.444 1.00 3.69 C ATOM 1007 C ASP A 67 60.495 5.977 12.271 1.00 3.25 C ATOM 1008 O ASP A 67 59.602 5.362 12.819 1.00 3.49 O ATOM 1009 CB ASP A 67 59.110 6.953 10.412 1.00 3.68 C ATOM 1010 CG ASP A 67 59.554 5.815 9.491 1.00 3.08 C ATOM 1011 OD1 ASP A 67 60.745 5.699 9.256 1.00 2.33 O ATOM 1012 OD2 ASP A 67 58.694 5.079 9.036 1.00 3.83 O ATOM 0 H ASP A 67 61.617 6.986 9.861 1.00 3.32 H new ATOM 0 HA ASP A 67 59.913 8.014 12.145 1.00 3.69 H new ATOM 0 HB2 ASP A 67 58.181 6.686 10.915 1.00 3.68 H new ATOM 0 HB3 ASP A 67 58.910 7.851 9.827 1.00 3.68 H new ATOM 1017 N GLY A 68 61.739 5.595 12.367 1.00 2.98 N ATOM 1018 CA GLY A 68 62.087 4.381 13.158 1.00 3.17 C ATOM 1019 C GLY A 68 61.102 3.258 12.831 1.00 2.42 C ATOM 1020 O GLY A 68 60.349 2.814 13.675 1.00 3.05 O ATOM 0 H GLY A 68 62.529 6.071 11.932 1.00 2.98 H new ATOM 0 HA2 GLY A 68 63.105 4.064 12.929 1.00 3.17 H new ATOM 0 HA3 GLY A 68 62.056 4.607 14.224 1.00 3.17 H new ATOM 1024 N SER A 69 61.102 2.791 11.611 1.00 1.46 N ATOM 1025 CA SER A 69 60.163 1.695 11.234 1.00 1.52 C ATOM 1026 C SER A 69 60.943 0.497 10.687 1.00 1.64 C ATOM 1027 O SER A 69 60.372 -0.514 10.326 1.00 2.49 O ATOM 1028 CB SER A 69 59.268 2.294 10.149 1.00 2.44 C ATOM 1029 OG SER A 69 60.080 2.813 9.104 1.00 2.71 O ATOM 0 H SER A 69 61.710 3.120 10.861 1.00 1.46 H new ATOM 0 HA SER A 69 59.584 1.336 12.085 1.00 1.52 H new ATOM 0 HB2 SER A 69 58.593 1.533 9.757 1.00 2.44 H new ATOM 0 HB3 SER A 69 58.647 3.085 10.569 1.00 2.44 H new ATOM 0 HG SER A 69 60.190 2.133 8.407 1.00 2.71 H new ATOM 1035 N GLY A 70 62.242 0.599 10.621 1.00 1.28 N ATOM 1036 CA GLY A 70 63.054 -0.535 10.099 1.00 1.43 C ATOM 1037 C GLY A 70 62.506 -0.971 8.739 1.00 1.29 C ATOM 1038 O GLY A 70 62.618 -2.118 8.354 1.00 1.59 O ATOM 0 H GLY A 70 62.776 1.420 10.906 1.00 1.28 H new ATOM 0 HA2 GLY A 70 64.098 -0.235 10.003 1.00 1.43 H new ATOM 0 HA3 GLY A 70 63.025 -1.370 10.799 1.00 1.43 H new ATOM 1042 N THR A 71 61.916 -0.066 8.008 1.00 0.89 N ATOM 1043 CA THR A 71 61.362 -0.433 6.673 1.00 0.79 C ATOM 1044 C THR A 71 61.975 0.453 5.585 1.00 0.76 C ATOM 1045 O THR A 71 62.274 1.610 5.807 1.00 0.83 O ATOM 1046 CB THR A 71 59.856 -0.184 6.784 1.00 0.84 C ATOM 1047 OG1 THR A 71 59.629 1.134 7.262 1.00 1.45 O ATOM 1048 CG2 THR A 71 59.242 -1.194 7.754 1.00 1.08 C ATOM 0 H THR A 71 61.793 0.910 8.276 1.00 0.89 H new ATOM 0 HA THR A 71 61.584 -1.466 6.404 1.00 0.79 H new ATOM 0 HB THR A 71 59.395 -0.298 5.803 1.00 0.84 H new ATOM 0 HG1 THR A 71 58.665 1.295 7.332 1.00 1.45 H new ATOM 0 HG21 THR A 71 58.169 -1.017 7.833 1.00 1.08 H new ATOM 0 HG22 THR A 71 59.417 -2.205 7.385 1.00 1.08 H new ATOM 0 HG23 THR A 71 59.702 -1.081 8.736 1.00 1.08 H new ATOM 1056 N VAL A 72 62.168 -0.082 4.410 1.00 0.73 N ATOM 1057 CA VAL A 72 62.763 0.727 3.308 1.00 0.77 C ATOM 1058 C VAL A 72 61.977 0.513 2.012 1.00 0.80 C ATOM 1059 O VAL A 72 61.740 -0.604 1.596 1.00 1.00 O ATOM 1060 CB VAL A 72 64.191 0.203 3.160 1.00 0.85 C ATOM 1061 CG1 VAL A 72 64.825 0.794 1.899 1.00 1.13 C ATOM 1062 CG2 VAL A 72 65.013 0.616 4.383 1.00 1.13 C ATOM 0 H VAL A 72 61.939 -1.045 4.165 1.00 0.73 H new ATOM 0 HA VAL A 72 62.740 1.796 3.521 1.00 0.77 H new ATOM 0 HB VAL A 72 64.172 -0.884 3.082 1.00 0.85 H new ATOM 0 HG11 VAL A 72 65.843 0.420 1.794 1.00 1.13 H new ATOM 0 HG12 VAL A 72 64.240 0.503 1.027 1.00 1.13 H new ATOM 0 HG13 VAL A 72 64.844 1.881 1.977 1.00 1.13 H new ATOM 0 HG21 VAL A 72 66.032 0.243 4.279 1.00 1.13 H new ATOM 0 HG22 VAL A 72 65.030 1.703 4.459 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.563 0.196 5.283 1.00 1.13 H new ATOM 1072 N ASP A 73 61.574 1.574 1.371 1.00 0.77 N ATOM 1073 CA ASP A 73 60.804 1.429 0.102 1.00 0.83 C ATOM 1074 C ASP A 73 61.632 1.938 -1.081 1.00 0.87 C ATOM 1075 O ASP A 73 62.842 2.027 -1.011 1.00 0.87 O ATOM 1076 CB ASP A 73 59.557 2.294 0.294 1.00 0.85 C ATOM 1077 CG ASP A 73 58.374 1.654 -0.432 1.00 1.80 C ATOM 1078 OD1 ASP A 73 58.592 0.681 -1.135 1.00 2.47 O ATOM 1079 OD2 ASP A 73 57.269 2.146 -0.273 1.00 2.57 O ATOM 0 H ASP A 73 61.744 2.535 1.669 1.00 0.77 H new ATOM 0 HA ASP A 73 60.551 0.390 -0.111 1.00 0.83 H new ATOM 0 HB2 ASP A 73 59.333 2.397 1.356 1.00 0.85 H new ATOM 0 HB3 ASP A 73 59.735 3.297 -0.093 1.00 0.85 H new ATOM 1084 N PHE A 74 60.990 2.271 -2.167 1.00 0.94 N ATOM 1085 CA PHE A 74 61.741 2.773 -3.353 1.00 0.98 C ATOM 1086 C PHE A 74 62.528 4.035 -2.986 1.00 0.86 C ATOM 1087 O PHE A 74 63.441 4.432 -3.682 1.00 0.83 O ATOM 1088 CB PHE A 74 60.669 3.093 -4.394 1.00 1.12 C ATOM 1089 CG PHE A 74 61.302 3.800 -5.567 1.00 1.33 C ATOM 1090 CD1 PHE A 74 62.617 3.496 -5.939 1.00 2.22 C ATOM 1091 CD2 PHE A 74 60.576 4.759 -6.284 1.00 1.97 C ATOM 1092 CE1 PHE A 74 63.207 4.152 -7.027 1.00 3.01 C ATOM 1093 CE2 PHE A 74 61.166 5.415 -7.371 1.00 2.84 C ATOM 1094 CZ PHE A 74 62.481 5.111 -7.742 1.00 3.18 C ATOM 0 H PHE A 74 59.978 2.217 -2.285 1.00 0.94 H new ATOM 0 HA PHE A 74 62.463 2.045 -3.723 1.00 0.98 H new ATOM 0 HB2 PHE A 74 60.185 2.175 -4.727 1.00 1.12 H new ATOM 0 HB3 PHE A 74 59.894 3.720 -3.953 1.00 1.12 H new ATOM 0 HD1 PHE A 74 63.177 2.755 -5.387 1.00 2.22 H new ATOM 0 HD2 PHE A 74 59.561 4.993 -5.998 1.00 1.97 H new ATOM 0 HE1 PHE A 74 64.222 3.918 -7.314 1.00 3.01 H new ATOM 0 HE2 PHE A 74 60.607 6.156 -7.923 1.00 2.84 H new ATOM 0 HZ PHE A 74 62.936 5.617 -8.581 1.00 3.18 H new ATOM 1104 N ASP A 75 62.183 4.666 -1.897 1.00 0.83 N ATOM 1105 CA ASP A 75 62.912 5.902 -1.489 1.00 0.76 C ATOM 1106 C ASP A 75 64.048 5.552 -0.522 1.00 0.69 C ATOM 1107 O ASP A 75 65.212 5.689 -0.842 1.00 0.65 O ATOM 1108 CB ASP A 75 61.864 6.770 -0.790 1.00 0.81 C ATOM 1109 CG ASP A 75 61.662 8.068 -1.578 1.00 0.99 C ATOM 1110 OD1 ASP A 75 62.454 8.328 -2.467 1.00 1.49 O ATOM 1111 OD2 ASP A 75 60.718 8.778 -1.275 1.00 1.57 O ATOM 0 H ASP A 75 61.429 4.380 -1.272 1.00 0.83 H new ATOM 0 HA ASP A 75 63.363 6.413 -2.339 1.00 0.76 H new ATOM 0 HB2 ASP A 75 60.921 6.229 -0.714 1.00 0.81 H new ATOM 0 HB3 ASP A 75 62.184 6.996 0.227 1.00 0.81 H new ATOM 1116 N GLU A 76 63.718 5.101 0.657 1.00 0.77 N ATOM 1117 CA GLU A 76 64.777 4.745 1.645 1.00 0.78 C ATOM 1118 C GLU A 76 65.832 3.847 0.991 1.00 0.70 C ATOM 1119 O GLU A 76 67.012 3.970 1.250 1.00 0.70 O ATOM 1120 CB GLU A 76 64.043 3.989 2.754 1.00 0.95 C ATOM 1121 CG GLU A 76 62.932 4.873 3.325 1.00 1.51 C ATOM 1122 CD GLU A 76 62.737 4.553 4.809 1.00 1.45 C ATOM 1123 OE1 GLU A 76 63.393 3.643 5.289 1.00 1.72 O ATOM 1124 OE2 GLU A 76 61.936 5.223 5.439 1.00 1.94 O ATOM 0 H GLU A 76 62.760 4.963 0.980 1.00 0.77 H new ATOM 0 HA GLU A 76 65.300 5.623 2.025 1.00 0.78 H new ATOM 0 HB2 GLU A 76 63.621 3.064 2.360 1.00 0.95 H new ATOM 0 HB3 GLU A 76 64.742 3.710 3.543 1.00 0.95 H new ATOM 0 HG2 GLU A 76 63.189 5.925 3.200 1.00 1.51 H new ATOM 0 HG3 GLU A 76 62.003 4.705 2.781 1.00 1.51 H new ATOM 1131 N PHE A 77 65.416 2.943 0.147 1.00 0.72 N ATOM 1132 CA PHE A 77 66.397 2.038 -0.519 1.00 0.73 C ATOM 1133 C PHE A 77 67.506 2.856 -1.186 1.00 0.67 C ATOM 1134 O PHE A 77 68.668 2.729 -0.855 1.00 0.69 O ATOM 1135 CB PHE A 77 65.586 1.277 -1.568 1.00 0.84 C ATOM 1136 CG PHE A 77 66.395 0.109 -2.081 1.00 0.97 C ATOM 1137 CD1 PHE A 77 66.740 -0.936 -1.216 1.00 1.32 C ATOM 1138 CD2 PHE A 77 66.801 0.073 -3.420 1.00 1.83 C ATOM 1139 CE1 PHE A 77 67.492 -2.018 -1.691 1.00 1.48 C ATOM 1140 CE2 PHE A 77 67.551 -1.009 -3.895 1.00 2.03 C ATOM 1141 CZ PHE A 77 67.897 -2.055 -3.031 1.00 1.46 C ATOM 0 H PHE A 77 64.441 2.791 -0.110 1.00 0.72 H new ATOM 0 HA PHE A 77 66.882 1.365 0.188 1.00 0.73 H new ATOM 0 HB2 PHE A 77 64.651 0.923 -1.134 1.00 0.84 H new ATOM 0 HB3 PHE A 77 65.323 1.941 -2.392 1.00 0.84 H new ATOM 0 HD1 PHE A 77 66.427 -0.908 -0.183 1.00 1.32 H new ATOM 0 HD2 PHE A 77 66.536 0.880 -4.087 1.00 1.83 H new ATOM 0 HE1 PHE A 77 67.760 -2.824 -1.024 1.00 1.48 H new ATOM 0 HE2 PHE A 77 67.863 -1.037 -4.929 1.00 2.03 H new ATOM 0 HZ PHE A 77 68.476 -2.890 -3.398 1.00 1.46 H new ATOM 1151 N LEU A 78 67.158 3.696 -2.123 1.00 0.66 N ATOM 1152 CA LEU A 78 68.195 4.520 -2.809 1.00 0.68 C ATOM 1153 C LEU A 78 68.895 5.435 -1.804 1.00 0.62 C ATOM 1154 O LEU A 78 69.994 5.898 -2.033 1.00 0.64 O ATOM 1155 CB LEU A 78 67.425 5.344 -3.843 1.00 0.77 C ATOM 1156 CG LEU A 78 66.603 4.411 -4.736 1.00 0.96 C ATOM 1157 CD1 LEU A 78 66.089 5.186 -5.950 1.00 1.55 C ATOM 1158 CD2 LEU A 78 67.483 3.251 -5.210 1.00 1.41 C ATOM 0 H LEU A 78 66.201 3.847 -2.443 1.00 0.66 H new ATOM 0 HA LEU A 78 68.970 3.908 -3.271 1.00 0.68 H new ATOM 0 HB2 LEU A 78 66.768 6.054 -3.341 1.00 0.77 H new ATOM 0 HB3 LEU A 78 68.119 5.925 -4.449 1.00 0.77 H new ATOM 0 HG LEU A 78 65.758 4.020 -4.169 1.00 0.96 H new ATOM 0 HD11 LEU A 78 65.504 4.521 -6.585 1.00 1.55 H new ATOM 0 HD12 LEU A 78 65.462 6.013 -5.615 1.00 1.55 H new ATOM 0 HD13 LEU A 78 66.934 5.578 -6.516 1.00 1.55 H new ATOM 0 HD21 LEU A 78 66.898 2.587 -5.846 1.00 1.41 H new ATOM 0 HD22 LEU A 78 68.328 3.643 -5.776 1.00 1.41 H new ATOM 0 HD23 LEU A 78 67.850 2.696 -4.346 1.00 1.41 H new ATOM 1170 N VAL A 79 68.270 5.695 -0.690 1.00 0.59 N ATOM 1171 CA VAL A 79 68.907 6.576 0.330 1.00 0.61 C ATOM 1172 C VAL A 79 69.981 5.799 1.093 1.00 0.63 C ATOM 1173 O VAL A 79 70.861 6.372 1.707 1.00 0.68 O ATOM 1174 CB VAL A 79 67.770 6.983 1.265 1.00 0.63 C ATOM 1175 CG1 VAL A 79 68.311 7.902 2.362 1.00 0.73 C ATOM 1176 CG2 VAL A 79 66.696 7.723 0.465 1.00 0.70 C ATOM 0 H VAL A 79 67.348 5.337 -0.441 1.00 0.59 H new ATOM 0 HA VAL A 79 69.396 7.443 -0.114 1.00 0.61 H new ATOM 0 HB VAL A 79 67.338 6.092 1.721 1.00 0.63 H new ATOM 0 HG11 VAL A 79 67.498 8.191 3.028 1.00 0.73 H new ATOM 0 HG12 VAL A 79 69.077 7.376 2.932 1.00 0.73 H new ATOM 0 HG13 VAL A 79 68.744 8.794 1.909 1.00 0.73 H new ATOM 0 HG21 VAL A 79 65.883 8.015 1.130 1.00 0.70 H new ATOM 0 HG22 VAL A 79 67.130 8.613 0.010 1.00 0.70 H new ATOM 0 HG23 VAL A 79 66.309 7.069 -0.316 1.00 0.70 H new ATOM 1186 N MET A 80 69.914 4.496 1.062 1.00 0.65 N ATOM 1187 CA MET A 80 70.927 3.676 1.787 1.00 0.72 C ATOM 1188 C MET A 80 72.248 3.643 1.012 1.00 0.71 C ATOM 1189 O MET A 80 73.272 4.079 1.497 1.00 0.76 O ATOM 1190 CB MET A 80 70.317 2.277 1.867 1.00 0.80 C ATOM 1191 CG MET A 80 69.031 2.328 2.693 1.00 1.12 C ATOM 1192 SD MET A 80 69.320 1.566 4.309 1.00 2.17 S ATOM 1193 CE MET A 80 69.249 -0.158 3.764 1.00 2.77 C ATOM 0 H MET A 80 69.200 3.963 0.565 1.00 0.65 H new ATOM 0 HA MET A 80 71.154 4.082 2.773 1.00 0.72 H new ATOM 0 HB2 MET A 80 70.104 1.904 0.865 1.00 0.80 H new ATOM 0 HB3 MET A 80 71.026 1.585 2.321 1.00 0.80 H new ATOM 0 HG2 MET A 80 68.708 3.361 2.819 1.00 1.12 H new ATOM 0 HG3 MET A 80 68.230 1.805 2.171 1.00 1.12 H new ATOM 0 HE1 MET A 80 68.351 -0.629 4.163 1.00 2.77 H new ATOM 0 HE2 MET A 80 69.225 -0.195 2.675 1.00 2.77 H new ATOM 0 HE3 MET A 80 70.129 -0.690 4.125 1.00 2.77 H new ATOM 1203 N MET A 81 72.236 3.124 -0.187 1.00 0.69 N ATOM 1204 CA MET A 81 73.504 3.062 -0.981 1.00 0.74 C ATOM 1205 C MET A 81 74.222 4.414 -0.941 1.00 0.75 C ATOM 1206 O MET A 81 75.435 4.482 -0.975 1.00 0.82 O ATOM 1207 CB MET A 81 73.110 2.708 -2.426 1.00 0.73 C ATOM 1208 CG MET A 81 71.760 3.330 -2.800 1.00 0.89 C ATOM 1209 SD MET A 81 70.586 2.024 -3.266 1.00 1.41 S ATOM 1210 CE MET A 81 70.926 0.847 -1.927 1.00 1.21 C ATOM 0 H MET A 81 71.411 2.742 -0.651 1.00 0.69 H new ATOM 0 HA MET A 81 74.185 2.316 -0.570 1.00 0.74 H new ATOM 0 HB2 MET A 81 73.879 3.062 -3.113 1.00 0.73 H new ATOM 0 HB3 MET A 81 73.058 1.625 -2.537 1.00 0.73 H new ATOM 0 HG2 MET A 81 71.367 3.901 -1.959 1.00 0.89 H new ATOM 0 HG3 MET A 81 71.888 4.028 -3.627 1.00 0.89 H new ATOM 0 HE1 MET A 81 70.079 0.171 -1.813 1.00 1.21 H new ATOM 0 HE2 MET A 81 71.820 0.271 -2.167 1.00 1.21 H new ATOM 0 HE3 MET A 81 71.084 1.391 -0.996 1.00 1.21 H new ATOM 1220 N VAL A 82 73.489 5.489 -0.865 1.00 0.72 N ATOM 1221 CA VAL A 82 74.142 6.829 -0.819 1.00 0.78 C ATOM 1222 C VAL A 82 75.063 6.923 0.401 1.00 0.81 C ATOM 1223 O VAL A 82 76.217 7.290 0.293 1.00 0.93 O ATOM 1224 CB VAL A 82 72.992 7.828 -0.698 1.00 0.80 C ATOM 1225 CG1 VAL A 82 73.553 9.216 -0.385 1.00 1.08 C ATOM 1226 CG2 VAL A 82 72.221 7.876 -2.018 1.00 1.36 C ATOM 0 H VAL A 82 72.470 5.499 -0.833 1.00 0.72 H new ATOM 0 HA VAL A 82 74.756 7.020 -1.699 1.00 0.78 H new ATOM 0 HB VAL A 82 72.323 7.518 0.104 1.00 0.80 H new ATOM 0 HG11 VAL A 82 72.733 9.929 -0.299 1.00 1.08 H new ATOM 0 HG12 VAL A 82 74.105 9.182 0.554 1.00 1.08 H new ATOM 0 HG13 VAL A 82 74.222 9.528 -1.187 1.00 1.08 H new ATOM 0 HG21 VAL A 82 71.400 8.588 -1.934 1.00 1.36 H new ATOM 0 HG22 VAL A 82 72.891 8.187 -2.820 1.00 1.36 H new ATOM 0 HG23 VAL A 82 71.822 6.887 -2.242 1.00 1.36 H new ATOM 1236 N ARG A 83 74.563 6.592 1.561 1.00 0.79 N ATOM 1237 CA ARG A 83 75.409 6.661 2.787 1.00 0.85 C ATOM 1238 C ARG A 83 76.514 5.603 2.728 1.00 0.90 C ATOM 1239 O ARG A 83 77.575 5.767 3.297 1.00 1.00 O ATOM 1240 CB ARG A 83 74.450 6.369 3.942 1.00 0.87 C ATOM 1241 CG ARG A 83 74.254 7.637 4.777 1.00 1.07 C ATOM 1242 CD ARG A 83 73.216 7.373 5.869 1.00 0.92 C ATOM 1243 NE ARG A 83 73.963 6.668 6.946 1.00 1.62 N ATOM 1244 CZ ARG A 83 74.515 7.350 7.912 1.00 1.83 C ATOM 1245 NH1 ARG A 83 74.820 8.606 7.732 1.00 2.14 N ATOM 1246 NH2 ARG A 83 74.762 6.776 9.057 1.00 2.49 N ATOM 0 H ARG A 83 73.605 6.277 1.713 1.00 0.79 H new ATOM 0 HA ARG A 83 75.901 7.627 2.897 1.00 0.85 H new ATOM 0 HB2 ARG A 83 73.491 6.025 3.554 1.00 0.87 H new ATOM 0 HB3 ARG A 83 74.848 5.568 4.565 1.00 0.87 H new ATOM 0 HG2 ARG A 83 75.200 7.940 5.225 1.00 1.07 H new ATOM 0 HG3 ARG A 83 73.926 8.458 4.139 1.00 1.07 H new ATOM 0 HD2 ARG A 83 72.781 8.304 6.234 1.00 0.92 H new ATOM 0 HD3 ARG A 83 72.394 6.763 5.494 1.00 0.92 H new ATOM 0 HE ARG A 83 74.044 5.651 6.929 1.00 1.62 H new ATOM 0 HH11 ARG A 83 74.627 9.054 6.836 1.00 2.14 H new ATOM 0 HH12 ARG A 83 75.251 9.139 8.487 1.00 2.14 H new ATOM 0 HH21 ARG A 83 74.524 5.794 9.197 1.00 2.49 H new ATOM 0 HH22 ARG A 83 75.193 7.309 9.812 1.00 2.49 H new ATOM 1260 N SER A 84 76.275 4.519 2.043 1.00 0.92 N ATOM 1261 CA SER A 84 77.313 3.452 1.947 1.00 1.01 C ATOM 1262 C SER A 84 78.225 3.712 0.746 1.00 1.06 C ATOM 1263 O SER A 84 79.336 3.226 0.681 1.00 1.38 O ATOM 1264 CB SER A 84 76.532 2.153 1.754 1.00 1.04 C ATOM 1265 OG SER A 84 76.003 1.733 3.006 1.00 1.52 O ATOM 0 H SER A 84 75.406 4.325 1.545 1.00 0.92 H new ATOM 0 HA SER A 84 77.950 3.415 2.830 1.00 1.01 H new ATOM 0 HB2 SER A 84 75.725 2.303 1.037 1.00 1.04 H new ATOM 0 HB3 SER A 84 77.183 1.381 1.344 1.00 1.04 H new ATOM 0 HG SER A 84 75.500 0.901 2.886 1.00 1.52 H new ATOM 1271 N MET A 85 77.761 4.475 -0.204 1.00 0.00 N ATOM 1272 CA MET A 85 78.600 4.767 -1.402 1.00 0.00 C ATOM 1273 C MET A 85 79.200 6.170 -1.295 1.00 0.00 C ATOM 1274 O MET A 85 78.779 7.089 -1.970 1.00 0.00 O ATOM 1275 CB MET A 85 77.640 4.681 -2.588 1.00 0.00 C ATOM 1276 CG MET A 85 77.138 3.242 -2.732 1.00 0.00 C ATOM 1277 SD MET A 85 77.751 2.543 -4.286 1.00 0.00 S ATOM 1278 CE MET A 85 76.167 2.502 -5.159 1.00 0.00 C ATOM 0 H MET A 85 76.838 4.909 -0.204 1.00 0.00 H new ATOM 0 HA MET A 85 79.434 4.072 -1.503 1.00 0.00 H new ATOM 0 HB2 MET A 85 76.799 5.358 -2.439 1.00 0.00 H new ATOM 0 HB3 MET A 85 78.144 4.995 -3.502 1.00 0.00 H new ATOM 0 HG2 MET A 85 77.480 2.640 -1.890 1.00 0.00 H new ATOM 0 HG3 MET A 85 76.048 3.222 -2.716 1.00 0.00 H new ATOM 0 HE1 MET A 85 76.310 2.833 -6.188 1.00 0.00 H new ATOM 0 HE2 MET A 85 75.776 1.485 -5.156 1.00 0.00 H new ATOM 0 HE3 MET A 85 75.459 3.164 -4.660 1.00 0.00 H new