USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=16 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 16 GLN : amide:sc= -0.664 X(o=-2.2,f=-2.5) USER MOD Set 1.2: A 85 MET CE :methyl -132:sc= -1.57 (180deg=-4.88!) USER MOD Set 2.1: A 69 SER OG : rot -135:sc= 0.148 USER MOD Set 2.2: A 71 THR OG1 : rot -67:sc= 0.0412 USER MOD Set 3.1: A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 139:sc= -1.01 (180deg=-3.23!) USER MOD Single : A 11 GLN : amide:sc= -0.326 K(o=-0.33,f=-3.4!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.8! USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 21 LYS NZ :NH3+ 161:sc= 0.00549 (180deg=0) USER MOD Single : A 35 SER OG : rot 35:sc= -0.0615 USER MOD Single : A 37 SER OG : rot 87:sc= 0.411 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 45 MET CE :methyl -123:sc= -2.01 (180deg=-7.21!) USER MOD Single : A 47 MET CE :methyl -136:sc= -0.966 (180deg=-4.98!) USER MOD Single : A 51 ASN : amide:sc= 1.13 K(o=1.1,f=-0.19) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 58 GLN : amide:sc= -0.537 K(o=-0.54,f=-0.0031) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -135:sc= -1.36 (180deg=-2.7!) USER MOD Single : A 81 MET CE :methyl -129:sc= -6.04! (180deg=-7.55!) USER MOD ----------------------------------------------------------------- ATOM 44 N TYR A 5 71.023 13.022 0.873 1.00 0.88 N ATOM 45 CA TYR A 5 71.404 11.830 0.061 1.00 0.86 C ATOM 46 C TYR A 5 70.604 11.804 -1.243 1.00 0.78 C ATOM 47 O TYR A 5 71.117 11.460 -2.290 1.00 0.79 O ATOM 48 CB TYR A 5 71.052 10.623 0.930 1.00 1.02 C ATOM 49 CG TYR A 5 71.569 10.844 2.331 1.00 1.22 C ATOM 50 CD1 TYR A 5 72.901 10.540 2.641 1.00 1.94 C ATOM 51 CD2 TYR A 5 70.720 11.355 3.319 1.00 1.64 C ATOM 52 CE1 TYR A 5 73.382 10.747 3.939 1.00 2.20 C ATOM 53 CE2 TYR A 5 71.202 11.563 4.618 1.00 1.80 C ATOM 54 CZ TYR A 5 72.532 11.257 4.927 1.00 1.77 C ATOM 55 OH TYR A 5 73.008 11.462 6.207 1.00 2.07 O ATOM 0 HA TYR A 5 72.459 11.838 -0.212 1.00 0.86 H new ATOM 0 HB2 TYR A 5 69.972 10.477 0.948 1.00 1.02 H new ATOM 0 HB3 TYR A 5 71.489 9.718 0.508 1.00 1.02 H new ATOM 0 HD1 TYR A 5 73.557 10.146 1.879 1.00 1.94 H new ATOM 0 HD2 TYR A 5 69.693 11.589 3.080 1.00 1.64 H new ATOM 0 HE1 TYR A 5 74.409 10.513 4.178 1.00 2.20 H new ATOM 0 HE2 TYR A 5 70.548 11.959 5.380 1.00 1.80 H new ATOM 0 HH TYR A 5 72.290 11.821 6.769 1.00 2.07 H new ATOM 65 N LYS A 6 69.352 12.167 -1.189 1.00 0.89 N ATOM 66 CA LYS A 6 68.524 12.165 -2.430 1.00 1.01 C ATOM 67 C LYS A 6 69.313 12.787 -3.584 1.00 0.98 C ATOM 68 O LYS A 6 69.375 12.246 -4.670 1.00 1.00 O ATOM 69 CB LYS A 6 67.297 13.013 -2.093 1.00 1.28 C ATOM 70 CG LYS A 6 66.478 12.315 -1.004 1.00 1.60 C ATOM 71 CD LYS A 6 66.240 10.857 -1.401 1.00 2.04 C ATOM 72 CE LYS A 6 65.219 10.228 -0.450 1.00 2.60 C ATOM 73 NZ LYS A 6 64.729 9.012 -1.158 1.00 3.24 N ATOM 0 H LYS A 6 68.867 12.464 -0.342 1.00 0.89 H new ATOM 0 HA LYS A 6 68.244 11.159 -2.742 1.00 1.01 H new ATOM 0 HB2 LYS A 6 67.607 14.001 -1.753 1.00 1.28 H new ATOM 0 HB3 LYS A 6 66.687 13.159 -2.984 1.00 1.28 H new ATOM 0 HG2 LYS A 6 67.005 12.362 -0.051 1.00 1.60 H new ATOM 0 HG3 LYS A 6 65.525 12.826 -0.867 1.00 1.60 H new ATOM 0 HD2 LYS A 6 65.878 10.803 -2.428 1.00 2.04 H new ATOM 0 HD3 LYS A 6 67.177 10.302 -1.364 1.00 2.04 H new ATOM 0 HE2 LYS A 6 65.676 9.971 0.506 1.00 2.60 H new ATOM 0 HE3 LYS A 6 64.402 10.917 -0.237 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 64.637 8.229 -0.480 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 63.802 9.210 -1.587 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 65.405 8.748 -1.902 1.00 3.24 H new ATOM 87 N ALA A 7 69.924 13.919 -3.357 1.00 1.07 N ATOM 88 CA ALA A 7 70.714 14.566 -4.443 1.00 1.20 C ATOM 89 C ALA A 7 71.674 13.547 -5.062 1.00 1.08 C ATOM 90 O ALA A 7 71.929 13.560 -6.250 1.00 1.19 O ATOM 91 CB ALA A 7 71.492 15.689 -3.756 1.00 1.36 C ATOM 0 H ALA A 7 69.910 14.422 -2.470 1.00 1.07 H new ATOM 0 HA ALA A 7 70.084 14.946 -5.247 1.00 1.20 H new ATOM 0 HB1 ALA A 7 72.100 16.214 -4.493 1.00 1.36 H new ATOM 0 HB2 ALA A 7 70.793 16.388 -3.298 1.00 1.36 H new ATOM 0 HB3 ALA A 7 72.139 15.266 -2.987 1.00 1.36 H new ATOM 97 N ALA A 8 72.204 12.660 -4.264 1.00 0.95 N ATOM 98 CA ALA A 8 73.144 11.635 -4.803 1.00 0.96 C ATOM 99 C ALA A 8 72.363 10.563 -5.568 1.00 0.90 C ATOM 100 O ALA A 8 72.630 10.295 -6.723 1.00 1.01 O ATOM 101 CB ALA A 8 73.823 11.034 -3.573 1.00 0.98 C ATOM 0 H ALA A 8 72.027 12.601 -3.261 1.00 0.95 H new ATOM 0 HA ALA A 8 73.869 12.058 -5.498 1.00 0.96 H new ATOM 0 HB1 ALA A 8 74.532 10.268 -3.887 1.00 0.98 H new ATOM 0 HB2 ALA A 8 74.351 11.818 -3.030 1.00 0.98 H new ATOM 0 HB3 ALA A 8 73.070 10.587 -2.924 1.00 0.98 H new ATOM 107 N VAL A 9 71.399 9.951 -4.935 1.00 0.83 N ATOM 108 CA VAL A 9 70.601 8.902 -5.633 1.00 0.82 C ATOM 109 C VAL A 9 70.113 9.433 -6.984 1.00 0.97 C ATOM 110 O VAL A 9 69.866 8.680 -7.906 1.00 1.02 O ATOM 111 CB VAL A 9 69.414 8.620 -4.709 1.00 0.84 C ATOM 112 CG1 VAL A 9 68.360 7.812 -5.466 1.00 1.05 C ATOM 113 CG2 VAL A 9 69.892 7.822 -3.492 1.00 0.70 C ATOM 0 H VAL A 9 71.130 10.131 -3.968 1.00 0.83 H new ATOM 0 HA VAL A 9 71.183 8.001 -5.830 1.00 0.82 H new ATOM 0 HB VAL A 9 68.980 9.563 -4.377 1.00 0.84 H new ATOM 0 HG11 VAL A 9 67.514 7.611 -4.808 1.00 1.05 H new ATOM 0 HG12 VAL A 9 68.019 8.379 -6.332 1.00 1.05 H new ATOM 0 HG13 VAL A 9 68.794 6.869 -5.798 1.00 1.05 H new ATOM 0 HG21 VAL A 9 69.047 7.621 -2.834 1.00 0.70 H new ATOM 0 HG22 VAL A 9 70.326 6.879 -3.823 1.00 0.70 H new ATOM 0 HG23 VAL A 9 70.644 8.398 -2.952 1.00 0.70 H new ATOM 123 N GLU A 10 69.977 10.725 -7.106 1.00 1.12 N ATOM 124 CA GLU A 10 69.510 11.309 -8.396 1.00 1.32 C ATOM 125 C GLU A 10 70.627 11.236 -9.441 1.00 1.37 C ATOM 126 O GLU A 10 70.379 11.226 -10.630 1.00 1.56 O ATOM 127 CB GLU A 10 69.175 12.767 -8.071 1.00 1.51 C ATOM 128 CG GLU A 10 67.677 13.005 -8.269 1.00 1.80 C ATOM 129 CD GLU A 10 67.436 14.470 -8.637 1.00 2.02 C ATOM 130 OE1 GLU A 10 68.409 15.195 -8.770 1.00 2.28 O ATOM 131 OE2 GLU A 10 66.283 14.844 -8.777 1.00 2.61 O ATOM 0 H GLU A 10 70.169 11.402 -6.368 1.00 1.12 H new ATOM 0 HA GLU A 10 68.653 10.775 -8.807 1.00 1.32 H new ATOM 0 HB2 GLU A 10 69.457 12.995 -7.043 1.00 1.51 H new ATOM 0 HB3 GLU A 10 69.748 13.435 -8.715 1.00 1.51 H new ATOM 0 HG2 GLU A 10 67.296 12.354 -9.056 1.00 1.80 H new ATOM 0 HG3 GLU A 10 67.135 12.754 -7.357 1.00 1.80 H new ATOM 138 N GLN A 11 71.856 11.187 -9.003 1.00 1.29 N ATOM 139 CA GLN A 11 72.992 11.116 -9.967 1.00 1.45 C ATOM 140 C GLN A 11 73.308 9.658 -10.307 1.00 1.35 C ATOM 141 O GLN A 11 74.234 9.366 -11.037 1.00 1.53 O ATOM 142 CB GLN A 11 74.171 11.763 -9.237 1.00 1.61 C ATOM 143 CG GLN A 11 73.707 13.058 -8.567 1.00 2.13 C ATOM 144 CD GLN A 11 74.836 14.090 -8.612 1.00 2.44 C ATOM 145 OE1 GLN A 11 75.893 13.828 -9.150 1.00 2.96 O ATOM 146 NE2 GLN A 11 74.655 15.261 -8.065 1.00 2.71 N ATOM 0 H GLN A 11 72.123 11.193 -8.019 1.00 1.29 H new ATOM 0 HA GLN A 11 72.767 11.619 -10.907 1.00 1.45 H new ATOM 0 HB2 GLN A 11 74.571 11.077 -8.490 1.00 1.61 H new ATOM 0 HB3 GLN A 11 74.977 11.973 -9.940 1.00 1.61 H new ATOM 0 HG2 GLN A 11 72.824 13.447 -9.075 1.00 2.13 H new ATOM 0 HG3 GLN A 11 73.420 12.863 -7.534 1.00 2.13 H new ATOM 0 HE21 GLN A 11 73.767 15.481 -7.613 1.00 2.71 H new ATOM 0 HE22 GLN A 11 75.401 15.956 -8.089 1.00 2.71 H new ATOM 155 N LEU A 12 72.544 8.739 -9.783 1.00 1.18 N ATOM 156 CA LEU A 12 72.802 7.299 -10.077 1.00 1.21 C ATOM 157 C LEU A 12 72.708 7.041 -11.584 1.00 1.11 C ATOM 158 O LEU A 12 71.976 7.703 -12.292 1.00 1.25 O ATOM 159 CB LEU A 12 71.699 6.541 -9.339 1.00 1.32 C ATOM 160 CG LEU A 12 72.185 6.148 -7.943 1.00 1.38 C ATOM 161 CD1 LEU A 12 71.133 5.266 -7.269 1.00 1.49 C ATOM 162 CD2 LEU A 12 73.498 5.371 -8.058 1.00 1.68 C ATOM 0 H LEU A 12 71.753 8.922 -9.165 1.00 1.18 H new ATOM 0 HA LEU A 12 73.797 6.986 -9.761 1.00 1.21 H new ATOM 0 HB2 LEU A 12 70.807 7.163 -9.262 1.00 1.32 H new ATOM 0 HB3 LEU A 12 71.419 5.650 -9.901 1.00 1.32 H new ATOM 0 HG LEU A 12 72.345 7.047 -7.348 1.00 1.38 H new ATOM 0 HD11 LEU A 12 71.477 4.985 -6.274 1.00 1.49 H new ATOM 0 HD12 LEU A 12 70.196 5.816 -7.187 1.00 1.49 H new ATOM 0 HD13 LEU A 12 70.975 4.368 -7.866 1.00 1.49 H new ATOM 0 HD21 LEU A 12 73.844 5.091 -7.063 1.00 1.68 H new ATOM 0 HD22 LEU A 12 73.338 4.472 -8.652 1.00 1.68 H new ATOM 0 HD23 LEU A 12 74.249 5.996 -8.541 1.00 1.68 H new ATOM 174 N THR A 13 73.442 6.082 -12.078 1.00 1.05 N ATOM 175 CA THR A 13 73.389 5.783 -13.538 1.00 1.13 C ATOM 176 C THR A 13 72.283 4.766 -13.828 1.00 0.94 C ATOM 177 O THR A 13 71.919 3.972 -12.982 1.00 0.87 O ATOM 178 CB THR A 13 74.762 5.194 -13.873 1.00 1.38 C ATOM 179 OG1 THR A 13 75.336 4.641 -12.697 1.00 1.89 O ATOM 180 CG2 THR A 13 75.671 6.294 -14.421 1.00 1.68 C ATOM 0 H THR A 13 74.075 5.494 -11.536 1.00 1.05 H new ATOM 0 HA THR A 13 73.170 6.669 -14.134 1.00 1.13 H new ATOM 0 HB THR A 13 74.651 4.413 -14.625 1.00 1.38 H new ATOM 0 HG1 THR A 13 76.214 4.262 -12.909 1.00 1.89 H new ATOM 0 HG21 THR A 13 76.648 5.874 -14.659 1.00 1.68 H new ATOM 0 HG22 THR A 13 75.228 6.716 -15.323 1.00 1.68 H new ATOM 0 HG23 THR A 13 75.786 7.078 -13.672 1.00 1.68 H new ATOM 188 N GLU A 14 71.743 4.785 -15.015 1.00 0.94 N ATOM 189 CA GLU A 14 70.659 3.819 -15.357 1.00 0.90 C ATOM 190 C GLU A 14 71.019 2.420 -14.851 1.00 0.82 C ATOM 191 O GLU A 14 70.160 1.638 -14.491 1.00 0.82 O ATOM 192 CB GLU A 14 70.585 3.834 -16.884 1.00 1.05 C ATOM 193 CG GLU A 14 71.811 3.123 -17.463 1.00 2.10 C ATOM 194 CD GLU A 14 71.713 3.098 -18.989 1.00 2.64 C ATOM 195 OE1 GLU A 14 71.206 4.057 -19.547 1.00 3.31 O ATOM 196 OE2 GLU A 14 72.147 2.120 -19.575 1.00 2.91 O ATOM 0 H GLU A 14 72.005 5.427 -15.763 1.00 0.94 H new ATOM 0 HA GLU A 14 69.707 4.087 -14.899 1.00 0.90 H new ATOM 0 HB2 GLU A 14 69.673 3.340 -17.219 1.00 1.05 H new ATOM 0 HB3 GLU A 14 70.543 4.861 -17.246 1.00 1.05 H new ATOM 0 HG2 GLU A 14 72.722 3.637 -17.155 1.00 2.10 H new ATOM 0 HG3 GLU A 14 71.872 2.106 -17.075 1.00 2.10 H new ATOM 203 N GLU A 15 72.283 2.098 -14.820 1.00 0.92 N ATOM 204 CA GLU A 15 72.699 0.750 -14.337 1.00 1.01 C ATOM 205 C GLU A 15 72.536 0.655 -12.818 1.00 0.90 C ATOM 206 O GLU A 15 72.418 -0.420 -12.264 1.00 0.89 O ATOM 207 CB GLU A 15 74.172 0.629 -14.728 1.00 1.23 C ATOM 208 CG GLU A 15 74.488 -0.824 -15.086 1.00 1.92 C ATOM 209 CD GLU A 15 75.963 -1.111 -14.802 1.00 2.37 C ATOM 210 OE1 GLU A 15 76.733 -0.166 -14.762 1.00 2.80 O ATOM 211 OE2 GLU A 15 76.298 -2.271 -14.630 1.00 2.90 O ATOM 0 H GLU A 15 73.046 2.710 -15.108 1.00 0.92 H new ATOM 0 HA GLU A 15 72.095 -0.048 -14.769 1.00 1.01 H new ATOM 0 HB2 GLU A 15 74.389 1.279 -15.576 1.00 1.23 H new ATOM 0 HB3 GLU A 15 74.806 0.958 -13.904 1.00 1.23 H new ATOM 0 HG2 GLU A 15 73.857 -1.498 -14.506 1.00 1.92 H new ATOM 0 HG3 GLU A 15 74.267 -1.007 -16.138 1.00 1.92 H new ATOM 218 N GLN A 16 72.530 1.770 -12.139 1.00 0.89 N ATOM 219 CA GLN A 16 72.374 1.736 -10.656 1.00 0.87 C ATOM 220 C GLN A 16 70.891 1.664 -10.283 1.00 0.68 C ATOM 221 O GLN A 16 70.493 0.904 -9.425 1.00 0.67 O ATOM 222 CB GLN A 16 72.991 3.045 -10.161 1.00 0.97 C ATOM 223 CG GLN A 16 74.499 3.029 -10.419 1.00 1.77 C ATOM 224 CD GLN A 16 75.234 2.662 -9.128 1.00 2.15 C ATOM 225 OE1 GLN A 16 75.022 1.602 -8.574 1.00 2.42 O ATOM 226 NE2 GLN A 16 76.098 3.500 -8.622 1.00 2.61 N ATOM 0 H GLN A 16 72.626 2.701 -12.545 1.00 0.89 H new ATOM 0 HA GLN A 16 72.856 0.866 -10.209 1.00 0.87 H new ATOM 0 HB2 GLN A 16 72.533 3.891 -10.673 1.00 0.97 H new ATOM 0 HB3 GLN A 16 72.795 3.172 -9.096 1.00 0.97 H new ATOM 0 HG2 GLN A 16 74.737 2.310 -11.203 1.00 1.77 H new ATOM 0 HG3 GLN A 16 74.829 4.006 -10.772 1.00 1.77 H new ATOM 0 HE21 GLN A 16 76.277 4.390 -9.086 1.00 2.61 H new ATOM 0 HE22 GLN A 16 76.594 3.264 -7.762 1.00 2.61 H new ATOM 235 N LYS A 17 70.070 2.449 -10.925 1.00 0.63 N ATOM 236 CA LYS A 17 68.613 2.423 -10.607 1.00 0.62 C ATOM 237 C LYS A 17 68.009 1.077 -11.015 1.00 0.60 C ATOM 238 O LYS A 17 67.189 0.516 -10.315 1.00 0.66 O ATOM 239 CB LYS A 17 68.008 3.558 -11.435 1.00 0.74 C ATOM 240 CG LYS A 17 67.392 4.599 -10.499 1.00 1.21 C ATOM 241 CD LYS A 17 68.453 5.632 -10.117 1.00 1.31 C ATOM 242 CE LYS A 17 68.790 6.492 -11.337 1.00 1.43 C ATOM 243 NZ LYS A 17 68.349 7.867 -10.970 1.00 2.06 N ATOM 0 H LYS A 17 70.344 3.107 -11.655 1.00 0.63 H new ATOM 0 HA LYS A 17 68.418 2.548 -9.542 1.00 0.62 H new ATOM 0 HB2 LYS A 17 68.776 4.020 -12.055 1.00 0.74 H new ATOM 0 HB3 LYS A 17 67.248 3.165 -12.110 1.00 0.74 H new ATOM 0 HG2 LYS A 17 66.550 5.090 -10.987 1.00 1.21 H new ATOM 0 HG3 LYS A 17 67.003 4.114 -9.604 1.00 1.21 H new ATOM 0 HD2 LYS A 17 68.088 6.261 -9.305 1.00 1.31 H new ATOM 0 HD3 LYS A 17 69.350 5.131 -9.753 1.00 1.31 H new ATOM 0 HE2 LYS A 17 69.857 6.465 -11.557 1.00 1.43 H new ATOM 0 HE3 LYS A 17 68.272 6.135 -12.227 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 68.547 8.517 -11.758 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 67.328 7.863 -10.773 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 68.864 8.182 -10.123 1.00 2.06 H new ATOM 257 N ASN A 18 68.409 0.553 -12.141 1.00 0.70 N ATOM 258 CA ASN A 18 67.858 -0.758 -12.590 1.00 0.85 C ATOM 259 C ASN A 18 68.166 -1.843 -11.555 1.00 0.70 C ATOM 260 O ASN A 18 67.277 -2.470 -11.015 1.00 0.66 O ATOM 261 CB ASN A 18 68.573 -1.057 -13.909 1.00 1.11 C ATOM 262 CG ASN A 18 67.572 -0.977 -15.063 1.00 1.68 C ATOM 263 OD1 ASN A 18 66.652 -1.768 -15.141 1.00 2.15 O ATOM 264 ND2 ASN A 18 67.715 -0.050 -15.970 1.00 2.13 N ATOM 0 H ASN A 18 69.093 0.975 -12.769 1.00 0.70 H new ATOM 0 HA ASN A 18 66.775 -0.732 -12.710 1.00 0.85 H new ATOM 0 HB2 ASN A 18 69.382 -0.344 -14.066 1.00 1.11 H new ATOM 0 HB3 ASN A 18 69.024 -2.049 -13.873 1.00 1.11 H new ATOM 0 HD21 ASN A 18 67.055 0.011 -16.745 1.00 2.13 H new ATOM 0 HD22 ASN A 18 68.487 0.613 -15.904 1.00 2.13 H new ATOM 271 N GLU A 19 69.421 -2.068 -11.274 1.00 0.76 N ATOM 272 CA GLU A 19 69.786 -3.112 -10.273 1.00 0.79 C ATOM 273 C GLU A 19 69.010 -2.889 -8.972 1.00 0.65 C ATOM 274 O GLU A 19 68.590 -3.826 -8.322 1.00 0.66 O ATOM 275 CB GLU A 19 71.286 -2.933 -10.041 1.00 0.98 C ATOM 276 CG GLU A 19 72.004 -4.258 -10.305 1.00 1.21 C ATOM 277 CD GLU A 19 72.628 -4.767 -9.004 1.00 1.82 C ATOM 278 OE1 GLU A 19 71.910 -5.367 -8.221 1.00 2.53 O ATOM 279 OE2 GLU A 19 73.813 -4.550 -8.814 1.00 2.44 O ATOM 0 H GLU A 19 70.209 -1.575 -11.694 1.00 0.76 H new ATOM 0 HA GLU A 19 69.546 -4.118 -10.618 1.00 0.79 H new ATOM 0 HB2 GLU A 19 71.677 -2.158 -10.700 1.00 0.98 H new ATOM 0 HB3 GLU A 19 71.470 -2.605 -9.018 1.00 0.98 H new ATOM 0 HG2 GLU A 19 71.301 -4.993 -10.696 1.00 1.21 H new ATOM 0 HG3 GLU A 19 72.776 -4.121 -11.062 1.00 1.21 H new ATOM 286 N PHE A 20 68.815 -1.657 -8.591 1.00 0.67 N ATOM 287 CA PHE A 20 68.061 -1.380 -7.335 1.00 0.75 C ATOM 288 C PHE A 20 66.557 -1.440 -7.608 1.00 0.66 C ATOM 289 O PHE A 20 65.854 -2.283 -7.089 1.00 0.79 O ATOM 290 CB PHE A 20 68.480 0.033 -6.921 1.00 0.97 C ATOM 291 CG PHE A 20 69.989 0.143 -6.908 1.00 1.44 C ATOM 292 CD1 PHE A 20 70.783 -1.014 -6.893 1.00 2.24 C ATOM 293 CD2 PHE A 20 70.595 1.404 -6.910 1.00 2.35 C ATOM 294 CE1 PHE A 20 72.179 -0.905 -6.881 1.00 3.29 C ATOM 295 CE2 PHE A 20 71.992 1.512 -6.899 1.00 3.36 C ATOM 296 CZ PHE A 20 72.783 0.357 -6.883 1.00 3.69 C ATOM 0 H PHE A 20 69.144 -0.832 -9.093 1.00 0.67 H new ATOM 0 HA PHE A 20 68.274 -2.108 -6.552 1.00 0.75 H new ATOM 0 HB2 PHE A 20 68.060 0.763 -7.613 1.00 0.97 H new ATOM 0 HB3 PHE A 20 68.082 0.264 -5.933 1.00 0.97 H new ATOM 0 HD1 PHE A 20 70.317 -1.988 -6.891 1.00 2.24 H new ATOM 0 HD2 PHE A 20 69.985 2.295 -6.920 1.00 2.35 H new ATOM 0 HE1 PHE A 20 72.790 -1.796 -6.870 1.00 3.29 H new ATOM 0 HE2 PHE A 20 72.458 2.486 -6.903 1.00 3.36 H new ATOM 0 HZ PHE A 20 73.860 0.440 -6.872 1.00 3.69 H new ATOM 306 N LYS A 21 66.060 -0.556 -8.431 1.00 0.60 N ATOM 307 CA LYS A 21 64.603 -0.572 -8.745 1.00 0.65 C ATOM 308 C LYS A 21 64.156 -2.003 -9.044 1.00 0.57 C ATOM 309 O LYS A 21 63.279 -2.541 -8.397 1.00 0.57 O ATOM 310 CB LYS A 21 64.461 0.305 -9.989 1.00 0.78 C ATOM 311 CG LYS A 21 63.029 0.834 -10.083 1.00 1.27 C ATOM 312 CD LYS A 21 62.982 1.994 -11.077 1.00 1.58 C ATOM 313 CE LYS A 21 63.529 3.260 -10.410 1.00 2.42 C ATOM 314 NZ LYS A 21 62.414 4.243 -10.480 1.00 2.88 N ATOM 0 H LYS A 21 66.598 0.174 -8.898 1.00 0.60 H new ATOM 0 HA LYS A 21 63.991 -0.209 -7.920 1.00 0.65 H new ATOM 0 HB2 LYS A 21 65.164 1.136 -9.942 1.00 0.78 H new ATOM 0 HB3 LYS A 21 64.706 -0.270 -10.882 1.00 0.78 H new ATOM 0 HG2 LYS A 21 62.356 0.039 -10.403 1.00 1.27 H new ATOM 0 HG3 LYS A 21 62.687 1.166 -9.103 1.00 1.27 H new ATOM 0 HD2 LYS A 21 63.571 1.753 -11.962 1.00 1.58 H new ATOM 0 HD3 LYS A 21 61.958 2.160 -11.411 1.00 1.58 H new ATOM 0 HE2 LYS A 21 63.822 3.068 -9.378 1.00 2.42 H new ATOM 0 HE3 LYS A 21 64.414 3.629 -10.929 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 62.574 5.000 -9.785 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 62.372 4.653 -11.435 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 61.515 3.764 -10.270 1.00 2.88 H new ATOM 328 N ALA A 22 64.758 -2.625 -10.020 1.00 0.59 N ATOM 329 CA ALA A 22 64.378 -4.025 -10.363 1.00 0.62 C ATOM 330 C ALA A 22 64.445 -4.906 -9.113 1.00 0.50 C ATOM 331 O ALA A 22 63.494 -5.580 -8.765 1.00 0.50 O ATOM 332 CB ALA A 22 65.413 -4.477 -11.393 1.00 0.76 C ATOM 0 H ALA A 22 65.498 -2.224 -10.596 1.00 0.59 H new ATOM 0 HA ALA A 22 63.362 -4.096 -10.751 1.00 0.62 H new ATOM 0 HB1 ALA A 22 65.201 -5.502 -11.696 1.00 0.76 H new ATOM 0 HB2 ALA A 22 65.368 -3.824 -12.265 1.00 0.76 H new ATOM 0 HB3 ALA A 22 66.409 -4.428 -10.953 1.00 0.76 H new ATOM 338 N ALA A 23 65.558 -4.904 -8.432 1.00 0.50 N ATOM 339 CA ALA A 23 65.680 -5.739 -7.204 1.00 0.53 C ATOM 340 C ALA A 23 64.489 -5.480 -6.278 1.00 0.46 C ATOM 341 O ALA A 23 63.795 -6.390 -5.873 1.00 0.52 O ATOM 342 CB ALA A 23 66.982 -5.288 -6.542 1.00 0.64 C ATOM 0 H ALA A 23 66.387 -4.361 -8.673 1.00 0.50 H new ATOM 0 HA ALA A 23 65.689 -6.806 -7.427 1.00 0.53 H new ATOM 0 HB1 ALA A 23 67.142 -5.859 -5.628 1.00 0.64 H new ATOM 0 HB2 ALA A 23 67.815 -5.456 -7.225 1.00 0.64 H new ATOM 0 HB3 ALA A 23 66.919 -4.227 -6.301 1.00 0.64 H new ATOM 348 N PHE A 24 64.246 -4.242 -5.945 1.00 0.47 N ATOM 349 CA PHE A 24 63.097 -3.925 -5.049 1.00 0.57 C ATOM 350 C PHE A 24 61.838 -4.649 -5.536 1.00 0.48 C ATOM 351 O PHE A 24 61.086 -5.196 -4.756 1.00 0.51 O ATOM 352 CB PHE A 24 62.919 -2.410 -5.152 1.00 0.77 C ATOM 353 CG PHE A 24 61.785 -1.976 -4.255 1.00 0.90 C ATOM 354 CD1 PHE A 24 60.466 -2.321 -4.579 1.00 1.58 C ATOM 355 CD2 PHE A 24 62.051 -1.230 -3.100 1.00 1.54 C ATOM 356 CE1 PHE A 24 59.413 -1.919 -3.747 1.00 1.72 C ATOM 357 CE2 PHE A 24 60.998 -0.828 -2.269 1.00 1.62 C ATOM 358 CZ PHE A 24 59.679 -1.172 -2.593 1.00 1.25 C ATOM 0 H PHE A 24 64.792 -3.438 -6.254 1.00 0.47 H new ATOM 0 HA PHE A 24 63.272 -4.244 -4.021 1.00 0.57 H new ATOM 0 HB2 PHE A 24 63.840 -1.904 -4.863 1.00 0.77 H new ATOM 0 HB3 PHE A 24 62.710 -2.127 -6.184 1.00 0.77 H new ATOM 0 HD1 PHE A 24 60.261 -2.897 -5.470 1.00 1.58 H new ATOM 0 HD2 PHE A 24 63.068 -0.965 -2.850 1.00 1.54 H new ATOM 0 HE1 PHE A 24 58.396 -2.185 -3.996 1.00 1.72 H new ATOM 0 HE2 PHE A 24 61.203 -0.253 -1.378 1.00 1.62 H new ATOM 0 HZ PHE A 24 58.867 -0.861 -1.952 1.00 1.25 H new ATOM 368 N ASP A 25 61.606 -4.656 -6.820 1.00 0.45 N ATOM 369 CA ASP A 25 60.398 -5.349 -7.354 1.00 0.53 C ATOM 370 C ASP A 25 60.566 -6.866 -7.231 1.00 0.52 C ATOM 371 O ASP A 25 59.607 -7.611 -7.258 1.00 0.60 O ATOM 372 CB ASP A 25 60.317 -4.933 -8.823 1.00 0.66 C ATOM 373 CG ASP A 25 58.854 -4.716 -9.212 1.00 0.98 C ATOM 374 OD1 ASP A 25 58.002 -5.358 -8.620 1.00 1.55 O ATOM 375 OD2 ASP A 25 58.609 -3.911 -10.096 1.00 1.52 O ATOM 0 H ASP A 25 62.199 -4.213 -7.522 1.00 0.45 H new ATOM 0 HA ASP A 25 59.493 -5.084 -6.808 1.00 0.53 H new ATOM 0 HB2 ASP A 25 60.887 -4.018 -8.985 1.00 0.66 H new ATOM 0 HB3 ASP A 25 60.762 -5.702 -9.455 1.00 0.66 H new ATOM 380 N ILE A 26 61.779 -7.327 -7.096 1.00 0.50 N ATOM 381 CA ILE A 26 62.010 -8.795 -6.970 1.00 0.63 C ATOM 382 C ILE A 26 62.024 -9.202 -5.495 1.00 0.70 C ATOM 383 O ILE A 26 61.870 -10.360 -5.159 1.00 0.94 O ATOM 384 CB ILE A 26 63.380 -9.035 -7.606 1.00 0.68 C ATOM 385 CG1 ILE A 26 63.360 -8.549 -9.057 1.00 0.72 C ATOM 386 CG2 ILE A 26 63.701 -10.530 -7.575 1.00 0.94 C ATOM 387 CD1 ILE A 26 64.794 -8.419 -9.573 1.00 0.69 C ATOM 0 H ILE A 26 62.620 -6.751 -7.067 1.00 0.50 H new ATOM 0 HA ILE A 26 61.228 -9.380 -7.453 1.00 0.63 H new ATOM 0 HB ILE A 26 64.140 -8.488 -7.049 1.00 0.68 H new ATOM 0 HG12 ILE A 26 62.801 -9.249 -9.678 1.00 0.72 H new ATOM 0 HG13 ILE A 26 62.850 -7.588 -9.122 1.00 0.72 H new ATOM 0 HG21 ILE A 26 64.677 -10.702 -8.028 1.00 0.94 H new ATOM 0 HG22 ILE A 26 63.714 -10.878 -6.542 1.00 0.94 H new ATOM 0 HG23 ILE A 26 62.941 -11.077 -8.133 1.00 0.94 H new ATOM 0 HD11 ILE A 26 64.779 -8.073 -10.606 1.00 0.69 H new ATOM 0 HD12 ILE A 26 65.338 -7.702 -8.958 1.00 0.69 H new ATOM 0 HD13 ILE A 26 65.288 -9.389 -9.523 1.00 0.69 H new ATOM 399 N PHE A 27 62.208 -8.259 -4.613 1.00 0.61 N ATOM 400 CA PHE A 27 62.234 -8.592 -3.159 1.00 0.79 C ATOM 401 C PHE A 27 60.909 -8.198 -2.500 1.00 0.76 C ATOM 402 O PHE A 27 60.572 -8.671 -1.433 1.00 1.03 O ATOM 403 CB PHE A 27 63.385 -7.765 -2.587 1.00 0.91 C ATOM 404 CG PHE A 27 64.700 -8.393 -2.982 1.00 1.45 C ATOM 405 CD1 PHE A 27 65.024 -9.679 -2.537 1.00 2.07 C ATOM 406 CD2 PHE A 27 65.595 -7.687 -3.796 1.00 2.23 C ATOM 407 CE1 PHE A 27 66.244 -10.261 -2.904 1.00 2.83 C ATOM 408 CE2 PHE A 27 66.815 -8.270 -4.164 1.00 3.07 C ATOM 409 CZ PHE A 27 67.139 -9.556 -3.717 1.00 3.21 C ATOM 0 H PHE A 27 62.342 -7.272 -4.835 1.00 0.61 H new ATOM 0 HA PHE A 27 62.369 -9.659 -2.981 1.00 0.79 H new ATOM 0 HB2 PHE A 27 63.332 -6.742 -2.959 1.00 0.91 H new ATOM 0 HB3 PHE A 27 63.306 -7.714 -1.501 1.00 0.91 H new ATOM 0 HD1 PHE A 27 64.333 -10.223 -1.910 1.00 2.07 H new ATOM 0 HD2 PHE A 27 65.345 -6.694 -4.140 1.00 2.23 H new ATOM 0 HE1 PHE A 27 66.494 -11.254 -2.560 1.00 2.83 H new ATOM 0 HE2 PHE A 27 67.505 -7.727 -4.793 1.00 3.07 H new ATOM 0 HZ PHE A 27 68.080 -10.005 -3.999 1.00 3.21 H new ATOM 419 N VAL A 28 60.154 -7.337 -3.128 1.00 0.63 N ATOM 420 CA VAL A 28 58.854 -6.917 -2.537 1.00 0.65 C ATOM 421 C VAL A 28 57.762 -7.927 -2.907 1.00 0.65 C ATOM 422 O VAL A 28 56.607 -7.761 -2.566 1.00 0.74 O ATOM 423 CB VAL A 28 58.586 -5.534 -3.150 1.00 0.68 C ATOM 424 CG1 VAL A 28 57.086 -5.317 -3.364 1.00 1.10 C ATOM 425 CG2 VAL A 28 59.117 -4.461 -2.199 1.00 1.47 C ATOM 0 H VAL A 28 60.383 -6.907 -4.024 1.00 0.63 H new ATOM 0 HA VAL A 28 58.868 -6.874 -1.448 1.00 0.65 H new ATOM 0 HB VAL A 28 59.088 -5.472 -4.115 1.00 0.68 H new ATOM 0 HG11 VAL A 28 56.919 -4.331 -3.799 1.00 1.10 H new ATOM 0 HG12 VAL A 28 56.700 -6.081 -4.039 1.00 1.10 H new ATOM 0 HG13 VAL A 28 56.569 -5.383 -2.407 1.00 1.10 H new ATOM 0 HG21 VAL A 28 58.932 -3.474 -2.624 1.00 1.47 H new ATOM 0 HG22 VAL A 28 58.609 -4.543 -1.238 1.00 1.47 H new ATOM 0 HG23 VAL A 28 60.189 -4.600 -2.056 1.00 1.47 H new ATOM 435 N LEU A 29 58.120 -8.974 -3.598 1.00 0.92 N ATOM 436 CA LEU A 29 57.106 -9.996 -3.982 1.00 0.99 C ATOM 437 C LEU A 29 56.295 -10.414 -2.755 1.00 0.99 C ATOM 438 O LEU A 29 55.121 -10.715 -2.844 1.00 1.10 O ATOM 439 CB LEU A 29 57.923 -11.173 -4.504 1.00 1.43 C ATOM 440 CG LEU A 29 57.792 -11.256 -6.026 1.00 1.74 C ATOM 441 CD1 LEU A 29 56.331 -11.513 -6.399 1.00 2.11 C ATOM 442 CD2 LEU A 29 58.251 -9.935 -6.649 1.00 2.45 C ATOM 0 H LEU A 29 59.071 -9.166 -3.913 1.00 0.92 H new ATOM 0 HA LEU A 29 56.398 -9.625 -4.723 1.00 0.99 H new ATOM 0 HB2 LEU A 29 58.970 -11.054 -4.225 1.00 1.43 H new ATOM 0 HB3 LEU A 29 57.576 -12.100 -4.048 1.00 1.43 H new ATOM 0 HG LEU A 29 58.412 -12.071 -6.400 1.00 1.74 H new ATOM 0 HD11 LEU A 29 56.237 -11.572 -7.483 1.00 2.11 H new ATOM 0 HD12 LEU A 29 56.002 -12.452 -5.955 1.00 2.11 H new ATOM 0 HD13 LEU A 29 55.711 -10.698 -6.025 1.00 2.11 H new ATOM 0 HD21 LEU A 29 58.158 -9.993 -7.734 1.00 2.45 H new ATOM 0 HD22 LEU A 29 57.630 -9.121 -6.274 1.00 2.45 H new ATOM 0 HD23 LEU A 29 59.292 -9.750 -6.383 1.00 2.45 H new ATOM 454 N GLY A 30 56.915 -10.432 -1.608 1.00 1.16 N ATOM 455 CA GLY A 30 56.190 -10.826 -0.370 1.00 1.58 C ATOM 456 C GLY A 30 56.328 -9.713 0.667 1.00 1.39 C ATOM 457 O GLY A 30 55.999 -9.883 1.824 1.00 1.89 O ATOM 0 H GLY A 30 57.897 -10.190 -1.475 1.00 1.16 H new ATOM 0 HA2 GLY A 30 55.138 -11.005 -0.591 1.00 1.58 H new ATOM 0 HA3 GLY A 30 56.596 -11.758 0.023 1.00 1.58 H new ATOM 461 N ALA A 31 56.819 -8.574 0.260 1.00 0.90 N ATOM 462 CA ALA A 31 56.984 -7.444 1.218 1.00 0.95 C ATOM 463 C ALA A 31 55.750 -7.324 2.118 1.00 1.15 C ATOM 464 O ALA A 31 54.728 -7.933 1.872 1.00 1.41 O ATOM 465 CB ALA A 31 57.132 -6.200 0.341 1.00 0.97 C ATOM 0 H ALA A 31 57.113 -8.377 -0.697 1.00 0.90 H new ATOM 0 HA ALA A 31 57.842 -7.584 1.876 1.00 0.95 H new ATOM 0 HB1 ALA A 31 57.258 -5.322 0.974 1.00 0.97 H new ATOM 0 HB2 ALA A 31 58.004 -6.311 -0.304 1.00 0.97 H new ATOM 0 HB3 ALA A 31 56.240 -6.079 -0.273 1.00 0.97 H new ATOM 471 N GLU A 32 55.839 -6.542 3.159 1.00 1.35 N ATOM 472 CA GLU A 32 54.672 -6.384 4.075 1.00 1.90 C ATOM 473 C GLU A 32 53.829 -5.176 3.658 1.00 2.05 C ATOM 474 O GLU A 32 52.625 -5.163 3.818 1.00 2.79 O ATOM 475 CB GLU A 32 55.283 -6.161 5.458 1.00 2.37 C ATOM 476 CG GLU A 32 54.737 -7.206 6.433 1.00 2.44 C ATOM 477 CD GLU A 32 54.496 -6.555 7.796 1.00 2.83 C ATOM 478 OE1 GLU A 32 53.437 -5.977 7.976 1.00 3.24 O ATOM 479 OE2 GLU A 32 55.375 -6.648 8.637 1.00 3.29 O ATOM 0 H GLU A 32 56.668 -6.006 3.415 1.00 1.35 H new ATOM 0 HA GLU A 32 54.012 -7.251 4.056 1.00 1.90 H new ATOM 0 HB2 GLU A 32 56.369 -6.232 5.403 1.00 2.37 H new ATOM 0 HB3 GLU A 32 55.047 -5.158 5.814 1.00 2.37 H new ATOM 0 HG2 GLU A 32 53.807 -7.626 6.049 1.00 2.44 H new ATOM 0 HG3 GLU A 32 55.443 -8.031 6.532 1.00 2.44 H new ATOM 486 N ASP A 33 54.451 -4.159 3.125 1.00 1.80 N ATOM 487 CA ASP A 33 53.681 -2.954 2.701 1.00 2.11 C ATOM 488 C ASP A 33 54.283 -2.359 1.425 1.00 1.47 C ATOM 489 O ASP A 33 54.542 -1.175 1.343 1.00 1.80 O ATOM 490 CB ASP A 33 53.813 -1.970 3.864 1.00 3.12 C ATOM 491 CG ASP A 33 52.978 -0.722 3.574 1.00 3.68 C ATOM 492 OD1 ASP A 33 52.168 -0.773 2.663 1.00 4.09 O ATOM 493 OD2 ASP A 33 53.162 0.264 4.268 1.00 4.12 O ATOM 0 H ASP A 33 55.457 -4.110 2.965 1.00 1.80 H new ATOM 0 HA ASP A 33 52.640 -3.188 2.480 1.00 2.11 H new ATOM 0 HB2 ASP A 33 53.478 -2.438 4.790 1.00 3.12 H new ATOM 0 HB3 ASP A 33 54.858 -1.696 4.006 1.00 3.12 H new ATOM 498 N GLY A 34 54.508 -3.172 0.429 1.00 1.10 N ATOM 499 CA GLY A 34 55.091 -2.651 -0.839 1.00 1.40 C ATOM 500 C GLY A 34 56.464 -2.039 -0.559 1.00 1.17 C ATOM 501 O GLY A 34 56.851 -1.057 -1.160 1.00 1.39 O ATOM 0 H GLY A 34 54.313 -4.173 0.439 1.00 1.10 H new ATOM 0 HA2 GLY A 34 55.183 -3.457 -1.567 1.00 1.40 H new ATOM 0 HA3 GLY A 34 54.430 -1.902 -1.274 1.00 1.40 H new ATOM 505 N SER A 35 57.205 -2.612 0.351 1.00 0.84 N ATOM 506 CA SER A 35 58.554 -2.062 0.669 1.00 0.70 C ATOM 507 C SER A 35 59.502 -3.191 1.079 1.00 0.67 C ATOM 508 O SER A 35 59.148 -4.354 1.049 1.00 0.80 O ATOM 509 CB SER A 35 58.326 -1.103 1.836 1.00 0.75 C ATOM 510 OG SER A 35 58.260 0.229 1.343 1.00 1.04 O ATOM 0 H SER A 35 56.935 -3.436 0.887 1.00 0.84 H new ATOM 0 HA SER A 35 59.008 -1.562 -0.186 1.00 0.70 H new ATOM 0 HB2 SER A 35 57.402 -1.357 2.355 1.00 0.75 H new ATOM 0 HB3 SER A 35 59.135 -1.195 2.561 1.00 0.75 H new ATOM 0 HG SER A 35 57.827 0.231 0.464 1.00 1.04 H new ATOM 516 N ILE A 36 60.703 -2.859 1.464 1.00 0.69 N ATOM 517 CA ILE A 36 61.675 -3.915 1.878 1.00 0.78 C ATOM 518 C ILE A 36 62.248 -3.572 3.253 1.00 0.71 C ATOM 519 O ILE A 36 63.115 -2.730 3.384 1.00 0.98 O ATOM 520 CB ILE A 36 62.796 -3.935 0.819 1.00 1.00 C ATOM 521 CG1 ILE A 36 62.518 -2.917 -0.301 1.00 1.09 C ATOM 522 CG2 ILE A 36 62.885 -5.336 0.212 1.00 1.36 C ATOM 523 CD1 ILE A 36 63.446 -3.186 -1.488 1.00 1.22 C ATOM 0 H ILE A 36 61.055 -1.903 1.511 1.00 0.69 H new ATOM 0 HA ILE A 36 61.195 -4.891 1.946 1.00 0.78 H new ATOM 0 HB ILE A 36 63.735 -3.668 1.303 1.00 1.00 H new ATOM 0 HG12 ILE A 36 61.477 -2.986 -0.618 1.00 1.09 H new ATOM 0 HG13 ILE A 36 62.671 -1.904 0.070 1.00 1.09 H new ATOM 0 HG21 ILE A 36 63.676 -5.358 -0.538 1.00 1.36 H new ATOM 0 HG22 ILE A 36 63.109 -6.059 0.997 1.00 1.36 H new ATOM 0 HG23 ILE A 36 61.934 -5.591 -0.256 1.00 1.36 H new ATOM 0 HD11 ILE A 36 63.245 -2.463 -2.278 1.00 1.22 H new ATOM 0 HD12 ILE A 36 64.484 -3.094 -1.167 1.00 1.22 H new ATOM 0 HD13 ILE A 36 63.271 -4.193 -1.865 1.00 1.22 H new ATOM 535 N SER A 37 61.762 -4.209 4.282 1.00 0.87 N ATOM 536 CA SER A 37 62.269 -3.911 5.650 1.00 0.87 C ATOM 537 C SER A 37 63.528 -4.728 5.949 1.00 0.76 C ATOM 538 O SER A 37 63.886 -5.630 5.217 1.00 0.87 O ATOM 539 CB SER A 37 61.132 -4.314 6.587 1.00 1.12 C ATOM 540 OG SER A 37 61.654 -4.541 7.889 1.00 1.52 O ATOM 0 H SER A 37 61.035 -4.923 4.234 1.00 0.87 H new ATOM 0 HA SER A 37 62.544 -2.863 5.765 1.00 0.87 H new ATOM 0 HB2 SER A 37 60.376 -3.530 6.618 1.00 1.12 H new ATOM 0 HB3 SER A 37 60.642 -5.215 6.217 1.00 1.12 H new ATOM 0 HG SER A 37 61.685 -3.694 8.381 1.00 1.52 H new ATOM 546 N THR A 38 64.200 -4.414 7.023 1.00 0.71 N ATOM 547 CA THR A 38 65.440 -5.163 7.383 1.00 0.65 C ATOM 548 C THR A 38 65.254 -6.663 7.129 1.00 0.70 C ATOM 549 O THR A 38 66.203 -7.379 6.879 1.00 1.37 O ATOM 550 CB THR A 38 65.673 -4.895 8.876 1.00 0.76 C ATOM 551 OG1 THR A 38 66.414 -5.970 9.435 1.00 1.55 O ATOM 552 CG2 THR A 38 64.333 -4.767 9.603 1.00 1.00 C ATOM 0 H THR A 38 63.943 -3.668 7.670 1.00 0.71 H new ATOM 0 HA THR A 38 66.290 -4.842 6.782 1.00 0.65 H new ATOM 0 HB THR A 38 66.229 -3.964 8.990 1.00 0.76 H new ATOM 0 HG1 THR A 38 66.566 -5.802 10.388 1.00 1.55 H new ATOM 0 HG21 THR A 38 64.510 -4.577 10.662 1.00 1.00 H new ATOM 0 HG22 THR A 38 63.765 -3.941 9.176 1.00 1.00 H new ATOM 0 HG23 THR A 38 63.768 -5.692 9.490 1.00 1.00 H new ATOM 560 N LYS A 39 64.043 -7.143 7.190 1.00 0.60 N ATOM 561 CA LYS A 39 63.809 -8.596 6.949 1.00 0.66 C ATOM 562 C LYS A 39 63.796 -8.884 5.446 1.00 0.64 C ATOM 563 O LYS A 39 64.184 -9.948 5.004 1.00 0.87 O ATOM 564 CB LYS A 39 62.439 -8.887 7.560 1.00 0.81 C ATOM 565 CG LYS A 39 62.485 -10.226 8.298 1.00 1.42 C ATOM 566 CD LYS A 39 63.623 -10.204 9.320 1.00 1.58 C ATOM 567 CE LYS A 39 63.069 -10.533 10.708 1.00 2.15 C ATOM 568 NZ LYS A 39 64.255 -10.523 11.607 1.00 2.80 N ATOM 0 H LYS A 39 63.208 -6.595 7.395 1.00 0.60 H new ATOM 0 HA LYS A 39 64.590 -9.217 7.388 1.00 0.66 H new ATOM 0 HB2 LYS A 39 62.159 -8.090 8.248 1.00 0.81 H new ATOM 0 HB3 LYS A 39 61.679 -8.916 6.779 1.00 0.81 H new ATOM 0 HG2 LYS A 39 61.535 -10.410 8.799 1.00 1.42 H new ATOM 0 HG3 LYS A 39 62.634 -11.040 7.589 1.00 1.42 H new ATOM 0 HD2 LYS A 39 64.390 -10.927 9.042 1.00 1.58 H new ATOM 0 HD3 LYS A 39 64.098 -9.223 9.330 1.00 1.58 H new ATOM 0 HE2 LYS A 39 62.329 -9.797 11.022 1.00 2.15 H new ATOM 0 HE3 LYS A 39 62.576 -11.505 10.716 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 63.956 -10.741 12.579 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 64.939 -11.238 11.287 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 64.700 -9.583 11.584 1.00 2.80 H new ATOM 582 N GLU A 40 63.355 -7.943 4.660 1.00 0.63 N ATOM 583 CA GLU A 40 63.319 -8.160 3.186 1.00 0.68 C ATOM 584 C GLU A 40 64.584 -7.588 2.542 1.00 0.66 C ATOM 585 O GLU A 40 65.066 -8.090 1.545 1.00 0.83 O ATOM 586 CB GLU A 40 62.082 -7.400 2.704 1.00 0.86 C ATOM 587 CG GLU A 40 60.869 -7.823 3.534 1.00 1.05 C ATOM 588 CD GLU A 40 60.759 -9.349 3.540 1.00 1.54 C ATOM 589 OE1 GLU A 40 61.254 -9.962 2.609 1.00 2.32 O ATOM 590 OE2 GLU A 40 60.182 -9.878 4.476 1.00 1.92 O ATOM 0 H GLU A 40 63.018 -7.033 4.973 1.00 0.63 H new ATOM 0 HA GLU A 40 63.275 -9.217 2.923 1.00 0.68 H new ATOM 0 HB2 GLU A 40 62.243 -6.326 2.797 1.00 0.86 H new ATOM 0 HB3 GLU A 40 61.904 -7.606 1.649 1.00 0.86 H new ATOM 0 HG2 GLU A 40 60.966 -7.451 4.554 1.00 1.05 H new ATOM 0 HG3 GLU A 40 59.961 -7.384 3.120 1.00 1.05 H new ATOM 597 N LEU A 41 65.124 -6.543 3.106 1.00 0.73 N ATOM 598 CA LEU A 41 66.358 -5.937 2.531 1.00 0.80 C ATOM 599 C LEU A 41 67.542 -6.891 2.701 1.00 0.72 C ATOM 600 O LEU A 41 68.477 -6.880 1.924 1.00 0.81 O ATOM 601 CB LEU A 41 66.578 -4.657 3.337 1.00 1.10 C ATOM 602 CG LEU A 41 67.781 -3.900 2.774 1.00 1.23 C ATOM 603 CD1 LEU A 41 67.301 -2.631 2.069 1.00 1.94 C ATOM 604 CD2 LEU A 41 68.724 -3.522 3.917 1.00 1.83 C ATOM 0 H LEU A 41 64.763 -6.082 3.941 1.00 0.73 H new ATOM 0 HA LEU A 41 66.265 -5.736 1.464 1.00 0.80 H new ATOM 0 HB2 LEU A 41 65.688 -4.030 3.294 1.00 1.10 H new ATOM 0 HB3 LEU A 41 66.746 -4.900 4.386 1.00 1.10 H new ATOM 0 HG LEU A 41 68.308 -4.534 2.061 1.00 1.23 H new ATOM 0 HD11 LEU A 41 68.159 -2.091 1.668 1.00 1.94 H new ATOM 0 HD12 LEU A 41 66.628 -2.900 1.255 1.00 1.94 H new ATOM 0 HD13 LEU A 41 66.774 -1.996 2.781 1.00 1.94 H new ATOM 0 HD21 LEU A 41 69.582 -2.982 3.517 1.00 1.83 H new ATOM 0 HD22 LEU A 41 68.196 -2.888 4.629 1.00 1.83 H new ATOM 0 HD23 LEU A 41 69.066 -4.426 4.420 1.00 1.83 H new ATOM 616 N GLY A 42 67.514 -7.715 3.713 1.00 0.72 N ATOM 617 CA GLY A 42 68.639 -8.666 3.930 1.00 0.91 C ATOM 618 C GLY A 42 68.997 -9.347 2.607 1.00 0.78 C ATOM 619 O GLY A 42 70.153 -9.465 2.251 1.00 0.84 O ATOM 0 H GLY A 42 66.760 -7.770 4.398 1.00 0.72 H new ATOM 0 HA2 GLY A 42 69.506 -8.136 4.324 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.359 -9.414 4.672 1.00 0.91 H new ATOM 623 N LYS A 43 68.014 -9.798 1.875 1.00 0.77 N ATOM 624 CA LYS A 43 68.300 -10.474 0.576 1.00 0.86 C ATOM 625 C LYS A 43 68.688 -9.442 -0.488 1.00 0.79 C ATOM 626 O LYS A 43 69.314 -9.765 -1.478 1.00 0.99 O ATOM 627 CB LYS A 43 66.993 -11.170 0.195 1.00 0.95 C ATOM 628 CG LYS A 43 67.294 -12.587 -0.296 1.00 1.34 C ATOM 629 CD LYS A 43 66.770 -13.603 0.722 1.00 2.13 C ATOM 630 CE LYS A 43 65.909 -14.647 0.006 1.00 2.65 C ATOM 631 NZ LYS A 43 65.191 -15.366 1.095 1.00 2.98 N ATOM 0 H LYS A 43 67.026 -9.728 2.120 1.00 0.77 H new ATOM 0 HA LYS A 43 69.130 -11.176 0.652 1.00 0.86 H new ATOM 0 HB2 LYS A 43 66.324 -11.206 1.055 1.00 0.95 H new ATOM 0 HB3 LYS A 43 66.481 -10.605 -0.584 1.00 0.95 H new ATOM 0 HG2 LYS A 43 66.826 -12.754 -1.266 1.00 1.34 H new ATOM 0 HG3 LYS A 43 68.368 -12.715 -0.434 1.00 1.34 H new ATOM 0 HD2 LYS A 43 67.604 -14.089 1.228 1.00 2.13 H new ATOM 0 HD3 LYS A 43 66.183 -13.096 1.488 1.00 2.13 H new ATOM 0 HE2 LYS A 43 65.209 -14.176 -0.684 1.00 2.65 H new ATOM 0 HE3 LYS A 43 66.523 -15.330 -0.580 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 64.579 -16.099 0.683 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 65.882 -15.810 1.732 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 64.609 -14.691 1.632 1.00 2.98 H new ATOM 645 N VAL A 44 68.324 -8.206 -0.291 1.00 0.72 N ATOM 646 CA VAL A 44 68.674 -7.159 -1.293 1.00 0.93 C ATOM 647 C VAL A 44 70.118 -6.692 -1.087 1.00 0.89 C ATOM 648 O VAL A 44 70.749 -6.175 -1.987 1.00 1.06 O ATOM 649 CB VAL A 44 67.696 -6.015 -1.029 1.00 1.18 C ATOM 650 CG1 VAL A 44 68.025 -4.836 -1.946 1.00 1.72 C ATOM 651 CG2 VAL A 44 66.268 -6.492 -1.306 1.00 1.80 C ATOM 0 H VAL A 44 67.800 -7.875 0.519 1.00 0.72 H new ATOM 0 HA VAL A 44 68.603 -7.526 -2.317 1.00 0.93 H new ATOM 0 HB VAL A 44 67.781 -5.699 0.011 1.00 1.18 H new ATOM 0 HG11 VAL A 44 67.326 -4.021 -1.756 1.00 1.72 H new ATOM 0 HG12 VAL A 44 69.042 -4.495 -1.750 1.00 1.72 H new ATOM 0 HG13 VAL A 44 67.942 -5.150 -2.986 1.00 1.72 H new ATOM 0 HG21 VAL A 44 65.569 -5.677 -1.118 1.00 1.80 H new ATOM 0 HG22 VAL A 44 66.185 -6.808 -2.346 1.00 1.80 H new ATOM 0 HG23 VAL A 44 66.031 -7.331 -0.652 1.00 1.80 H new ATOM 661 N MET A 45 70.644 -6.871 0.093 1.00 0.86 N ATOM 662 CA MET A 45 72.047 -6.438 0.359 1.00 1.06 C ATOM 663 C MET A 45 73.038 -7.480 -0.167 1.00 1.08 C ATOM 664 O MET A 45 73.922 -7.174 -0.941 1.00 1.14 O ATOM 665 CB MET A 45 72.140 -6.330 1.880 1.00 1.34 C ATOM 666 CG MET A 45 71.553 -4.992 2.330 1.00 1.88 C ATOM 667 SD MET A 45 72.120 -4.617 4.007 1.00 2.45 S ATOM 668 CE MET A 45 72.032 -2.815 3.874 1.00 3.35 C ATOM 0 H MET A 45 70.164 -7.298 0.885 1.00 0.86 H new ATOM 0 HA MET A 45 72.290 -5.498 -0.136 1.00 1.06 H new ATOM 0 HB2 MET A 45 71.599 -7.153 2.348 1.00 1.34 H new ATOM 0 HB3 MET A 45 73.179 -6.409 2.199 1.00 1.34 H new ATOM 0 HG2 MET A 45 71.859 -4.200 1.646 1.00 1.88 H new ATOM 0 HG3 MET A 45 70.464 -5.033 2.304 1.00 1.88 H new ATOM 0 HE1 MET A 45 73.009 -2.386 4.095 1.00 3.35 H new ATOM 0 HE2 MET A 45 71.735 -2.539 2.862 1.00 3.35 H new ATOM 0 HE3 MET A 45 71.299 -2.433 4.584 1.00 3.35 H new ATOM 678 N ARG A 46 72.897 -8.709 0.249 1.00 1.20 N ATOM 679 CA ARG A 46 73.834 -9.767 -0.226 1.00 1.46 C ATOM 680 C ARG A 46 73.835 -9.826 -1.757 1.00 1.52 C ATOM 681 O ARG A 46 74.839 -10.120 -2.374 1.00 1.73 O ATOM 682 CB ARG A 46 73.286 -11.070 0.360 1.00 1.74 C ATOM 683 CG ARG A 46 74.406 -12.110 0.428 1.00 1.93 C ATOM 684 CD ARG A 46 73.909 -13.432 -0.163 1.00 2.48 C ATOM 685 NE ARG A 46 74.761 -13.660 -1.362 1.00 2.64 N ATOM 686 CZ ARG A 46 75.869 -14.342 -1.255 1.00 3.08 C ATOM 687 NH1 ARG A 46 76.447 -14.470 -0.092 1.00 3.41 N ATOM 688 NH2 ARG A 46 76.398 -14.895 -2.312 1.00 3.64 N ATOM 0 H ARG A 46 72.175 -9.026 0.896 1.00 1.20 H new ATOM 0 HA ARG A 46 74.862 -9.579 0.084 1.00 1.46 H new ATOM 0 HB2 ARG A 46 72.881 -10.891 1.356 1.00 1.74 H new ATOM 0 HB3 ARG A 46 72.467 -11.442 -0.256 1.00 1.74 H new ATOM 0 HG2 ARG A 46 75.278 -11.758 -0.123 1.00 1.93 H new ATOM 0 HG3 ARG A 46 74.719 -12.256 1.462 1.00 1.93 H new ATOM 0 HD2 ARG A 46 74.009 -14.247 0.553 1.00 2.48 H new ATOM 0 HD3 ARG A 46 72.855 -13.372 -0.433 1.00 2.48 H new ATOM 0 HE ARG A 46 74.479 -13.283 -2.267 1.00 2.64 H new ATOM 0 HH11 ARG A 46 76.033 -14.037 0.734 1.00 3.41 H new ATOM 0 HH12 ARG A 46 77.313 -15.003 -0.009 1.00 3.41 H new ATOM 0 HH21 ARG A 46 75.946 -14.794 -3.221 1.00 3.64 H new ATOM 0 HH22 ARG A 46 77.264 -15.428 -2.229 1.00 3.64 H new ATOM 702 N MET A 47 72.718 -9.550 -2.372 1.00 1.46 N ATOM 703 CA MET A 47 72.659 -9.594 -3.863 1.00 1.73 C ATOM 704 C MET A 47 73.242 -8.307 -4.461 1.00 1.75 C ATOM 705 O MET A 47 73.739 -8.297 -5.570 1.00 2.01 O ATOM 706 CB MET A 47 71.170 -9.730 -4.201 1.00 1.70 C ATOM 707 CG MET A 47 70.483 -8.366 -4.096 1.00 1.96 C ATOM 708 SD MET A 47 70.597 -7.509 -5.687 1.00 1.94 S ATOM 709 CE MET A 47 69.196 -8.327 -6.491 1.00 1.52 C ATOM 0 H MET A 47 71.845 -9.296 -1.909 1.00 1.46 H new ATOM 0 HA MET A 47 73.242 -10.418 -4.274 1.00 1.73 H new ATOM 0 HB2 MET A 47 71.052 -10.129 -5.208 1.00 1.70 H new ATOM 0 HB3 MET A 47 70.697 -10.438 -3.520 1.00 1.70 H new ATOM 0 HG2 MET A 47 69.438 -8.494 -3.814 1.00 1.96 H new ATOM 0 HG3 MET A 47 70.953 -7.769 -3.315 1.00 1.96 H new ATOM 0 HE1 MET A 47 69.472 -8.605 -7.508 1.00 1.52 H new ATOM 0 HE2 MET A 47 68.927 -9.222 -5.930 1.00 1.52 H new ATOM 0 HE3 MET A 47 68.345 -7.647 -6.519 1.00 1.52 H new ATOM 719 N LEU A 48 73.181 -7.223 -3.737 1.00 1.60 N ATOM 720 CA LEU A 48 73.728 -5.940 -4.266 1.00 1.69 C ATOM 721 C LEU A 48 75.234 -5.853 -3.996 1.00 1.68 C ATOM 722 O LEU A 48 75.999 -5.420 -4.834 1.00 1.99 O ATOM 723 CB LEU A 48 72.983 -4.846 -3.500 1.00 1.73 C ATOM 724 CG LEU A 48 71.552 -4.734 -4.029 1.00 1.75 C ATOM 725 CD1 LEU A 48 70.761 -3.760 -3.155 1.00 1.86 C ATOM 726 CD2 LEU A 48 71.579 -4.218 -5.469 1.00 2.15 C ATOM 0 H LEU A 48 72.776 -7.170 -2.802 1.00 1.60 H new ATOM 0 HA LEU A 48 73.593 -5.848 -5.344 1.00 1.69 H new ATOM 0 HB2 LEU A 48 72.971 -5.077 -2.435 1.00 1.73 H new ATOM 0 HB3 LEU A 48 73.499 -3.893 -3.613 1.00 1.73 H new ATOM 0 HG LEU A 48 71.078 -5.715 -4.003 1.00 1.75 H new ATOM 0 HD11 LEU A 48 69.741 -3.679 -3.531 1.00 1.86 H new ATOM 0 HD12 LEU A 48 70.741 -4.126 -2.128 1.00 1.86 H new ATOM 0 HD13 LEU A 48 71.236 -2.779 -3.182 1.00 1.86 H new ATOM 0 HD21 LEU A 48 70.559 -4.138 -5.846 1.00 2.15 H new ATOM 0 HD22 LEU A 48 72.053 -3.237 -5.495 1.00 2.15 H new ATOM 0 HD23 LEU A 48 72.143 -4.911 -6.093 1.00 2.15 H new ATOM 738 N GLY A 49 75.663 -6.261 -2.834 1.00 1.63 N ATOM 739 CA GLY A 49 77.118 -6.199 -2.514 1.00 1.87 C ATOM 740 C GLY A 49 77.303 -5.826 -1.043 1.00 1.54 C ATOM 741 O GLY A 49 78.186 -5.070 -0.690 1.00 1.53 O ATOM 0 H GLY A 49 75.070 -6.634 -2.092 1.00 1.63 H new ATOM 0 HA2 GLY A 49 77.587 -7.162 -2.717 1.00 1.87 H new ATOM 0 HA3 GLY A 49 77.610 -5.464 -3.151 1.00 1.87 H new ATOM 745 N GLN A 50 76.477 -6.352 -0.181 1.00 1.37 N ATOM 746 CA GLN A 50 76.606 -6.029 1.269 1.00 1.17 C ATOM 747 C GLN A 50 76.420 -7.297 2.106 1.00 1.24 C ATOM 748 O GLN A 50 75.455 -8.019 1.954 1.00 1.75 O ATOM 749 CB GLN A 50 75.485 -5.030 1.556 1.00 1.29 C ATOM 750 CG GLN A 50 75.701 -3.764 0.725 1.00 1.28 C ATOM 751 CD GLN A 50 75.952 -2.577 1.658 1.00 1.41 C ATOM 752 OE1 GLN A 50 77.000 -2.480 2.266 1.00 1.89 O ATOM 753 NE2 GLN A 50 75.029 -1.666 1.798 1.00 1.85 N ATOM 0 H GLN A 50 75.718 -6.991 -0.417 1.00 1.37 H new ATOM 0 HA GLN A 50 77.586 -5.621 1.517 1.00 1.17 H new ATOM 0 HB2 GLN A 50 74.519 -5.474 1.317 1.00 1.29 H new ATOM 0 HB3 GLN A 50 75.468 -4.782 2.617 1.00 1.29 H new ATOM 0 HG2 GLN A 50 76.549 -3.898 0.053 1.00 1.28 H new ATOM 0 HG3 GLN A 50 74.828 -3.572 0.102 1.00 1.28 H new ATOM 0 HE21 GLN A 50 74.150 -1.748 1.287 1.00 1.85 H new ATOM 0 HE22 GLN A 50 75.186 -0.872 2.418 1.00 1.85 H new ATOM 762 N ASN A 51 77.339 -7.572 2.990 1.00 1.18 N ATOM 763 CA ASN A 51 77.216 -8.793 3.837 1.00 1.29 C ATOM 764 C ASN A 51 77.494 -8.450 5.303 1.00 1.07 C ATOM 765 O ASN A 51 78.287 -9.102 5.955 1.00 1.45 O ATOM 766 CB ASN A 51 78.274 -9.756 3.302 1.00 1.96 C ATOM 767 CG ASN A 51 77.902 -11.189 3.687 1.00 2.61 C ATOM 768 OD1 ASN A 51 77.597 -11.998 2.834 1.00 3.07 O ATOM 769 ND2 ASN A 51 77.912 -11.537 4.943 1.00 3.29 N ATOM 0 H ASN A 51 78.169 -7.005 3.163 1.00 1.18 H new ATOM 0 HA ASN A 51 76.216 -9.224 3.796 1.00 1.29 H new ATOM 0 HB2 ASN A 51 78.347 -9.667 2.218 1.00 1.96 H new ATOM 0 HB3 ASN A 51 79.252 -9.501 3.710 1.00 1.96 H new ATOM 0 HD21 ASN A 51 77.664 -12.489 5.210 1.00 3.29 H new ATOM 0 HD22 ASN A 51 78.168 -10.857 5.659 1.00 3.29 H new ATOM 776 N PRO A 52 76.826 -7.432 5.772 1.00 1.47 N ATOM 777 CA PRO A 52 76.995 -6.989 7.176 1.00 2.11 C ATOM 778 C PRO A 52 76.348 -7.993 8.133 1.00 1.79 C ATOM 779 O PRO A 52 75.912 -9.056 7.733 1.00 2.07 O ATOM 780 CB PRO A 52 76.267 -5.647 7.219 1.00 2.97 C ATOM 781 CG PRO A 52 75.269 -5.715 6.107 1.00 2.97 C ATOM 782 CD PRO A 52 75.858 -6.605 5.044 1.00 2.03 C ATOM 0 HA PRO A 52 78.039 -6.910 7.479 1.00 2.11 H new ATOM 0 HB2 PRO A 52 75.777 -5.494 8.181 1.00 2.97 H new ATOM 0 HB3 PRO A 52 76.960 -4.817 7.078 1.00 2.97 H new ATOM 0 HG2 PRO A 52 74.320 -6.116 6.464 1.00 2.97 H new ATOM 0 HG3 PRO A 52 75.066 -4.721 5.709 1.00 2.97 H new ATOM 0 HD2 PRO A 52 75.092 -7.215 4.565 1.00 2.03 H new ATOM 0 HD3 PRO A 52 76.340 -6.023 4.258 1.00 2.03 H new ATOM 790 N THR A 53 76.281 -7.668 9.395 1.00 1.42 N ATOM 791 CA THR A 53 75.663 -8.606 10.376 1.00 1.16 C ATOM 792 C THR A 53 74.150 -8.379 10.443 1.00 0.98 C ATOM 793 O THR A 53 73.650 -7.374 9.979 1.00 0.92 O ATOM 794 CB THR A 53 76.319 -8.265 11.716 1.00 1.19 C ATOM 795 OG1 THR A 53 75.780 -7.046 12.207 1.00 1.40 O ATOM 796 CG2 THR A 53 77.829 -8.115 11.522 1.00 1.36 C ATOM 0 H THR A 53 76.627 -6.794 9.790 1.00 1.42 H new ATOM 0 HA THR A 53 75.814 -9.650 10.103 1.00 1.16 H new ATOM 0 HB THR A 53 76.124 -9.064 12.431 1.00 1.19 H new ATOM 0 HG1 THR A 53 76.197 -6.826 13.066 1.00 1.40 H new ATOM 0 HG21 THR A 53 78.296 -7.872 12.476 1.00 1.36 H new ATOM 0 HG22 THR A 53 78.242 -9.050 11.143 1.00 1.36 H new ATOM 0 HG23 THR A 53 78.026 -7.316 10.808 1.00 1.36 H new ATOM 804 N PRO A 54 73.470 -9.331 11.023 1.00 0.99 N ATOM 805 CA PRO A 54 71.995 -9.245 11.156 1.00 1.04 C ATOM 806 C PRO A 54 71.610 -8.215 12.223 1.00 0.93 C ATOM 807 O PRO A 54 70.552 -7.621 12.172 1.00 0.94 O ATOM 808 CB PRO A 54 71.592 -10.651 11.588 1.00 1.19 C ATOM 809 CG PRO A 54 72.810 -11.221 12.243 1.00 1.18 C ATOM 810 CD PRO A 54 74.008 -10.566 11.602 1.00 1.10 C ATOM 0 HA PRO A 54 71.501 -8.928 10.238 1.00 1.04 H new ATOM 0 HB2 PRO A 54 70.749 -10.625 12.278 1.00 1.19 H new ATOM 0 HB3 PRO A 54 71.286 -11.254 10.733 1.00 1.19 H new ATOM 0 HG2 PRO A 54 72.795 -11.030 13.316 1.00 1.18 H new ATOM 0 HG3 PRO A 54 72.847 -12.303 12.112 1.00 1.18 H new ATOM 0 HD2 PRO A 54 74.788 -10.357 12.334 1.00 1.10 H new ATOM 0 HD3 PRO A 54 74.451 -11.205 10.838 1.00 1.10 H new ATOM 818 N GLU A 55 72.462 -8.000 13.188 1.00 0.98 N ATOM 819 CA GLU A 55 72.143 -7.010 14.257 1.00 1.08 C ATOM 820 C GLU A 55 72.437 -5.589 13.767 1.00 0.97 C ATOM 821 O GLU A 55 71.856 -4.629 14.231 1.00 1.01 O ATOM 822 CB GLU A 55 73.063 -7.376 15.422 1.00 1.28 C ATOM 823 CG GLU A 55 72.531 -6.746 16.711 1.00 2.15 C ATOM 824 CD GLU A 55 73.529 -6.984 17.845 1.00 2.57 C ATOM 825 OE1 GLU A 55 73.498 -8.060 18.421 1.00 3.14 O ATOM 826 OE2 GLU A 55 74.308 -6.086 18.119 1.00 2.81 O ATOM 0 H GLU A 55 73.364 -8.466 13.283 1.00 0.98 H new ATOM 0 HA GLU A 55 71.092 -7.036 14.544 1.00 1.08 H new ATOM 0 HB2 GLU A 55 73.117 -8.459 15.530 1.00 1.28 H new ATOM 0 HB3 GLU A 55 74.075 -7.024 15.224 1.00 1.28 H new ATOM 0 HG2 GLU A 55 72.375 -5.677 16.568 1.00 2.15 H new ATOM 0 HG3 GLU A 55 71.564 -7.178 16.967 1.00 2.15 H new ATOM 833 N GLU A 56 73.336 -5.450 12.832 1.00 0.92 N ATOM 834 CA GLU A 56 73.669 -4.092 12.313 1.00 0.94 C ATOM 835 C GLU A 56 72.558 -3.595 11.382 1.00 0.84 C ATOM 836 O GLU A 56 72.186 -2.439 11.405 1.00 0.94 O ATOM 837 CB GLU A 56 74.974 -4.273 11.539 1.00 1.06 C ATOM 838 CG GLU A 56 75.387 -2.939 10.914 1.00 1.60 C ATOM 839 CD GLU A 56 76.862 -3.001 10.511 1.00 1.83 C ATOM 840 OE1 GLU A 56 77.700 -2.797 11.375 1.00 2.08 O ATOM 841 OE2 GLU A 56 77.129 -3.249 9.347 1.00 2.50 O ATOM 0 H GLU A 56 73.855 -6.217 12.405 1.00 0.92 H new ATOM 0 HA GLU A 56 73.767 -3.357 13.112 1.00 0.94 H new ATOM 0 HB2 GLU A 56 75.758 -4.632 12.206 1.00 1.06 H new ATOM 0 HB3 GLU A 56 74.847 -5.027 10.762 1.00 1.06 H new ATOM 0 HG2 GLU A 56 74.769 -2.727 10.042 1.00 1.60 H new ATOM 0 HG3 GLU A 56 75.226 -2.127 11.623 1.00 1.60 H new ATOM 848 N LEU A 57 72.028 -4.462 10.563 1.00 0.73 N ATOM 849 CA LEU A 57 70.942 -4.040 9.630 1.00 0.78 C ATOM 850 C LEU A 57 69.939 -3.139 10.355 1.00 0.80 C ATOM 851 O LEU A 57 69.683 -2.025 9.946 1.00 0.89 O ATOM 852 CB LEU A 57 70.272 -5.341 9.190 1.00 0.85 C ATOM 853 CG LEU A 57 71.123 -6.019 8.117 1.00 0.84 C ATOM 854 CD1 LEU A 57 70.930 -7.533 8.198 1.00 1.30 C ATOM 855 CD2 LEU A 57 70.688 -5.523 6.736 1.00 1.10 C ATOM 0 H LEU A 57 72.299 -5.443 10.499 1.00 0.73 H new ATOM 0 HA LEU A 57 71.324 -3.470 8.783 1.00 0.78 H new ATOM 0 HB2 LEU A 57 70.149 -6.006 10.045 1.00 0.85 H new ATOM 0 HB3 LEU A 57 69.275 -5.135 8.801 1.00 0.85 H new ATOM 0 HG LEU A 57 72.174 -5.777 8.277 1.00 0.84 H new ATOM 0 HD11 LEU A 57 71.536 -8.019 7.433 1.00 1.30 H new ATOM 0 HD12 LEU A 57 71.236 -7.887 9.183 1.00 1.30 H new ATOM 0 HD13 LEU A 57 69.880 -7.775 8.036 1.00 1.30 H new ATOM 0 HD21 LEU A 57 71.294 -6.005 5.969 1.00 1.10 H new ATOM 0 HD22 LEU A 57 69.638 -5.767 6.576 1.00 1.10 H new ATOM 0 HD23 LEU A 57 70.822 -4.443 6.678 1.00 1.10 H new ATOM 867 N GLN A 58 69.368 -3.615 11.428 1.00 0.81 N ATOM 868 CA GLN A 58 68.379 -2.785 12.175 1.00 0.95 C ATOM 869 C GLN A 58 68.986 -1.421 12.517 1.00 0.99 C ATOM 870 O GLN A 58 68.356 -0.394 12.364 1.00 1.13 O ATOM 871 CB GLN A 58 68.080 -3.575 13.449 1.00 1.09 C ATOM 872 CG GLN A 58 66.877 -2.956 14.164 1.00 1.25 C ATOM 873 CD GLN A 58 65.585 -3.517 13.570 1.00 1.41 C ATOM 874 OE1 GLN A 58 65.060 -4.504 14.048 1.00 1.97 O ATOM 875 NE2 GLN A 58 65.044 -2.927 12.538 1.00 1.74 N ATOM 0 H GLN A 58 69.543 -4.541 11.819 1.00 0.81 H new ATOM 0 HA GLN A 58 67.477 -2.594 11.594 1.00 0.95 H new ATOM 0 HB2 GLN A 58 67.874 -4.617 13.203 1.00 1.09 H new ATOM 0 HB3 GLN A 58 68.950 -3.568 14.106 1.00 1.09 H new ATOM 0 HG2 GLN A 58 66.923 -3.174 15.231 1.00 1.25 H new ATOM 0 HG3 GLN A 58 66.897 -1.871 14.059 1.00 1.25 H new ATOM 0 HE21 GLN A 58 65.483 -2.099 12.136 1.00 1.74 H new ATOM 0 HE22 GLN A 58 64.182 -3.294 12.134 1.00 1.74 H new ATOM 884 N GLU A 59 70.208 -1.404 12.976 1.00 0.97 N ATOM 885 CA GLU A 59 70.855 -0.108 13.327 1.00 1.14 C ATOM 886 C GLU A 59 70.998 0.768 12.079 1.00 1.11 C ATOM 887 O GLU A 59 70.840 1.972 12.133 1.00 1.18 O ATOM 888 CB GLU A 59 72.231 -0.491 13.872 1.00 1.23 C ATOM 889 CG GLU A 59 72.889 0.735 14.508 1.00 1.60 C ATOM 890 CD GLU A 59 72.820 0.620 16.032 1.00 2.19 C ATOM 891 OE1 GLU A 59 71.761 0.880 16.579 1.00 2.75 O ATOM 892 OE2 GLU A 59 73.828 0.272 16.626 1.00 2.77 O ATOM 0 H GLU A 59 70.786 -2.231 13.123 1.00 0.97 H new ATOM 0 HA GLU A 59 70.272 0.463 14.050 1.00 1.14 H new ATOM 0 HB2 GLU A 59 72.133 -1.287 14.610 1.00 1.23 H new ATOM 0 HB3 GLU A 59 72.858 -0.877 13.068 1.00 1.23 H new ATOM 0 HG2 GLU A 59 73.927 0.812 14.185 1.00 1.60 H new ATOM 0 HG3 GLU A 59 72.385 1.643 14.178 1.00 1.60 H new ATOM 899 N MET A 60 71.298 0.174 10.956 1.00 1.11 N ATOM 900 CA MET A 60 71.453 0.972 9.706 1.00 1.18 C ATOM 901 C MET A 60 70.127 1.642 9.332 1.00 1.13 C ATOM 902 O MET A 60 70.075 2.824 9.060 1.00 1.25 O ATOM 903 CB MET A 60 71.864 -0.042 8.638 1.00 1.22 C ATOM 904 CG MET A 60 73.014 0.530 7.806 1.00 1.62 C ATOM 905 SD MET A 60 72.777 0.091 6.067 1.00 1.82 S ATOM 906 CE MET A 60 74.512 0.198 5.564 1.00 2.02 C ATOM 0 H MET A 60 71.443 -0.830 10.850 1.00 1.11 H new ATOM 0 HA MET A 60 72.188 1.770 9.815 1.00 1.18 H new ATOM 0 HB2 MET A 60 72.171 -0.977 9.108 1.00 1.22 H new ATOM 0 HB3 MET A 60 71.015 -0.272 7.994 1.00 1.22 H new ATOM 0 HG2 MET A 60 73.053 1.614 7.916 1.00 1.62 H new ATOM 0 HG3 MET A 60 73.966 0.139 8.164 1.00 1.62 H new ATOM 0 HE1 MET A 60 74.599 -0.040 4.504 1.00 2.02 H new ATOM 0 HE2 MET A 60 74.880 1.209 5.741 1.00 2.02 H new ATOM 0 HE3 MET A 60 75.103 -0.510 6.144 1.00 2.02 H new ATOM 916 N ILE A 61 69.055 0.897 9.313 1.00 1.04 N ATOM 917 CA ILE A 61 67.738 1.499 8.954 1.00 1.11 C ATOM 918 C ILE A 61 67.359 2.581 9.972 1.00 1.23 C ATOM 919 O ILE A 61 67.152 3.727 9.627 1.00 1.40 O ATOM 920 CB ILE A 61 66.743 0.334 8.993 1.00 1.13 C ATOM 921 CG1 ILE A 61 66.776 -0.397 7.650 1.00 1.17 C ATOM 922 CG2 ILE A 61 65.325 0.860 9.244 1.00 1.36 C ATOM 923 CD1 ILE A 61 67.153 -1.860 7.876 1.00 1.14 C ATOM 0 H ILE A 61 69.033 -0.099 9.530 1.00 1.04 H new ATOM 0 HA ILE A 61 67.752 1.980 7.976 1.00 1.11 H new ATOM 0 HB ILE A 61 67.020 -0.347 9.798 1.00 1.13 H new ATOM 0 HG12 ILE A 61 65.802 -0.332 7.164 1.00 1.17 H new ATOM 0 HG13 ILE A 61 67.497 0.077 6.984 1.00 1.17 H new ATOM 0 HG21 ILE A 61 64.626 0.024 9.270 1.00 1.36 H new ATOM 0 HG22 ILE A 61 65.296 1.387 10.198 1.00 1.36 H new ATOM 0 HG23 ILE A 61 65.043 1.544 8.443 1.00 1.36 H new ATOM 0 HD11 ILE A 61 67.177 -2.382 6.919 1.00 1.14 H new ATOM 0 HD12 ILE A 61 68.136 -1.914 8.343 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.415 -2.329 8.527 1.00 1.14 H new ATOM 935 N ASP A 62 67.262 2.221 11.222 1.00 1.23 N ATOM 936 CA ASP A 62 66.891 3.222 12.265 1.00 1.43 C ATOM 937 C ASP A 62 67.667 4.527 12.060 1.00 1.48 C ATOM 938 O ASP A 62 67.242 5.583 12.483 1.00 1.67 O ATOM 939 CB ASP A 62 67.277 2.570 13.592 1.00 1.51 C ATOM 940 CG ASP A 62 66.937 3.517 14.744 1.00 1.54 C ATOM 941 OD1 ASP A 62 65.860 4.088 14.717 1.00 1.79 O ATOM 942 OD2 ASP A 62 67.759 3.654 15.635 1.00 2.13 O ATOM 0 H ASP A 62 67.424 1.275 11.568 1.00 1.23 H new ATOM 0 HA ASP A 62 65.833 3.480 12.227 1.00 1.43 H new ATOM 0 HB2 ASP A 62 66.745 1.626 13.714 1.00 1.51 H new ATOM 0 HB3 ASP A 62 68.342 2.339 13.600 1.00 1.51 H new ATOM 947 N GLU A 63 68.802 4.464 11.418 1.00 1.41 N ATOM 948 CA GLU A 63 69.598 5.702 11.193 1.00 1.52 C ATOM 949 C GLU A 63 69.158 6.391 9.897 1.00 1.47 C ATOM 950 O GLU A 63 68.874 7.572 9.878 1.00 1.80 O ATOM 951 CB GLU A 63 71.044 5.216 11.087 1.00 1.55 C ATOM 952 CG GLU A 63 71.904 6.294 10.426 1.00 2.11 C ATOM 953 CD GLU A 63 71.950 7.532 11.324 1.00 2.26 C ATOM 954 OE1 GLU A 63 72.239 7.377 12.498 1.00 2.93 O ATOM 955 OE2 GLU A 63 71.696 8.614 10.820 1.00 2.32 O ATOM 0 H GLU A 63 69.211 3.609 11.040 1.00 1.41 H new ATOM 0 HA GLU A 63 69.469 6.433 11.991 1.00 1.52 H new ATOM 0 HB2 GLU A 63 71.433 4.984 12.078 1.00 1.55 H new ATOM 0 HB3 GLU A 63 71.087 4.296 10.505 1.00 1.55 H new ATOM 0 HG2 GLU A 63 72.913 5.917 10.257 1.00 2.11 H new ATOM 0 HG3 GLU A 63 71.493 6.554 9.450 1.00 2.11 H new ATOM 962 N VAL A 64 69.100 5.664 8.814 1.00 1.33 N ATOM 963 CA VAL A 64 68.680 6.285 7.524 1.00 1.29 C ATOM 964 C VAL A 64 67.155 6.420 7.468 1.00 1.21 C ATOM 965 O VAL A 64 66.620 7.181 6.687 1.00 1.50 O ATOM 966 CB VAL A 64 69.176 5.326 6.440 1.00 1.40 C ATOM 967 CG1 VAL A 64 70.626 4.937 6.726 1.00 1.69 C ATOM 968 CG2 VAL A 64 68.305 4.069 6.436 1.00 1.31 C ATOM 0 H VAL A 64 69.324 4.670 8.766 1.00 1.33 H new ATOM 0 HA VAL A 64 69.089 7.287 7.399 1.00 1.29 H new ATOM 0 HB VAL A 64 69.116 5.815 5.468 1.00 1.40 H new ATOM 0 HG11 VAL A 64 70.979 4.254 5.953 1.00 1.69 H new ATOM 0 HG12 VAL A 64 71.249 5.832 6.731 1.00 1.69 H new ATOM 0 HG13 VAL A 64 70.686 4.448 7.698 1.00 1.69 H new ATOM 0 HG21 VAL A 64 68.657 3.385 5.664 1.00 1.31 H new ATOM 0 HG22 VAL A 64 68.366 3.581 7.409 1.00 1.31 H new ATOM 0 HG23 VAL A 64 67.270 4.344 6.232 1.00 1.31 H new ATOM 978 N ASP A 65 66.452 5.689 8.290 1.00 1.27 N ATOM 979 CA ASP A 65 64.963 5.779 8.282 1.00 1.38 C ATOM 980 C ASP A 65 64.516 7.175 8.731 1.00 2.07 C ATOM 981 O ASP A 65 65.159 7.810 9.543 1.00 2.61 O ATOM 982 CB ASP A 65 64.495 4.720 9.281 1.00 1.38 C ATOM 983 CG ASP A 65 63.031 4.372 9.008 1.00 1.66 C ATOM 984 OD1 ASP A 65 62.427 5.037 8.183 1.00 1.47 O ATOM 985 OD2 ASP A 65 62.537 3.443 9.628 1.00 2.59 O ATOM 0 H ASP A 65 66.844 5.034 8.966 1.00 1.27 H new ATOM 0 HA ASP A 65 64.545 5.614 7.289 1.00 1.38 H new ATOM 0 HB2 ASP A 65 65.114 3.827 9.197 1.00 1.38 H new ATOM 0 HB3 ASP A 65 64.608 5.091 10.300 1.00 1.38 H new ATOM 990 N GLU A 66 63.422 7.655 8.208 1.00 2.65 N ATOM 991 CA GLU A 66 62.936 9.007 8.605 1.00 3.74 C ATOM 992 C GLU A 66 61.849 8.886 9.677 1.00 4.00 C ATOM 993 O GLU A 66 61.294 9.869 10.125 1.00 4.93 O ATOM 994 CB GLU A 66 62.361 9.617 7.326 1.00 4.58 C ATOM 995 CG GLU A 66 63.496 9.895 6.339 1.00 5.25 C ATOM 996 CD GLU A 66 62.909 10.273 4.976 1.00 6.17 C ATOM 997 OE1 GLU A 66 61.738 10.610 4.932 1.00 6.67 O ATOM 998 OE2 GLU A 66 63.641 10.219 4.002 1.00 6.61 O ATOM 0 H GLU A 66 62.843 7.170 7.523 1.00 2.65 H new ATOM 0 HA GLU A 66 63.731 9.622 9.027 1.00 3.74 H new ATOM 0 HB2 GLU A 66 61.635 8.937 6.880 1.00 4.58 H new ATOM 0 HB3 GLU A 66 61.831 10.541 7.557 1.00 4.58 H new ATOM 0 HG2 GLU A 66 64.126 10.703 6.712 1.00 5.25 H new ATOM 0 HG3 GLU A 66 64.131 9.014 6.241 1.00 5.25 H new ATOM 1005 N ASP A 67 61.543 7.686 10.091 1.00 3.32 N ATOM 1006 CA ASP A 67 60.493 7.504 11.133 1.00 3.69 C ATOM 1007 C ASP A 67 60.832 6.304 12.023 1.00 3.25 C ATOM 1008 O ASP A 67 60.011 5.835 12.788 1.00 3.49 O ATOM 1009 CB ASP A 67 59.202 7.247 10.356 1.00 3.68 C ATOM 1010 CG ASP A 67 59.349 5.972 9.525 1.00 3.08 C ATOM 1011 OD1 ASP A 67 60.314 5.879 8.785 1.00 2.33 O ATOM 1012 OD2 ASP A 67 58.495 5.109 9.643 1.00 3.83 O ATOM 0 H ASP A 67 61.974 6.826 9.753 1.00 3.32 H new ATOM 0 HA ASP A 67 60.408 8.371 11.788 1.00 3.69 H new ATOM 0 HB2 ASP A 67 58.364 7.149 11.046 1.00 3.68 H new ATOM 0 HB3 ASP A 67 58.982 8.094 9.706 1.00 3.68 H new ATOM 1017 N GLY A 68 62.034 5.803 11.930 1.00 2.98 N ATOM 1018 CA GLY A 68 62.422 4.635 12.771 1.00 3.17 C ATOM 1019 C GLY A 68 61.293 3.603 12.762 1.00 2.42 C ATOM 1020 O GLY A 68 60.541 3.484 13.708 1.00 3.05 O ATOM 0 H GLY A 68 62.764 6.152 11.308 1.00 2.98 H new ATOM 0 HA2 GLY A 68 63.341 4.188 12.390 1.00 3.17 H new ATOM 0 HA3 GLY A 68 62.625 4.959 13.792 1.00 3.17 H new ATOM 1024 N SER A 69 61.166 2.856 11.698 1.00 1.46 N ATOM 1025 CA SER A 69 60.081 1.835 11.631 1.00 1.52 C ATOM 1026 C SER A 69 60.661 0.459 11.290 1.00 1.64 C ATOM 1027 O SER A 69 60.124 -0.562 11.674 1.00 2.49 O ATOM 1028 CB SER A 69 59.157 2.317 10.513 1.00 2.44 C ATOM 1029 OG SER A 69 59.939 2.687 9.384 1.00 2.71 O ATOM 0 H SER A 69 61.765 2.908 10.874 1.00 1.46 H new ATOM 0 HA SER A 69 59.557 1.729 12.581 1.00 1.52 H new ATOM 0 HB2 SER A 69 58.455 1.529 10.241 1.00 2.44 H new ATOM 0 HB3 SER A 69 58.566 3.167 10.855 1.00 2.44 H new ATOM 0 HG SER A 69 59.612 3.538 9.025 1.00 2.71 H new ATOM 1035 N GLY A 70 61.750 0.420 10.571 1.00 1.28 N ATOM 1036 CA GLY A 70 62.356 -0.891 10.206 1.00 1.43 C ATOM 1037 C GLY A 70 62.006 -1.229 8.756 1.00 1.29 C ATOM 1038 O GLY A 70 62.259 -2.320 8.285 1.00 1.59 O ATOM 0 H GLY A 70 62.246 1.240 10.221 1.00 1.28 H new ATOM 0 HA2 GLY A 70 63.438 -0.851 10.330 1.00 1.43 H new ATOM 0 HA3 GLY A 70 61.988 -1.672 10.872 1.00 1.43 H new ATOM 1042 N THR A 71 61.424 -0.302 8.043 1.00 0.89 N ATOM 1043 CA THR A 71 61.058 -0.575 6.623 1.00 0.79 C ATOM 1044 C THR A 71 61.806 0.379 5.688 1.00 0.76 C ATOM 1045 O THR A 71 62.284 1.418 6.098 1.00 0.83 O ATOM 1046 CB THR A 71 59.552 -0.328 6.546 1.00 0.84 C ATOM 1047 OG1 THR A 71 59.296 1.065 6.660 1.00 1.45 O ATOM 1048 CG2 THR A 71 58.855 -1.072 7.685 1.00 1.08 C ATOM 0 H THR A 71 61.187 0.630 8.382 1.00 0.89 H new ATOM 0 HA THR A 71 61.321 -1.588 6.319 1.00 0.79 H new ATOM 0 HB THR A 71 59.171 -0.690 5.591 1.00 0.84 H new ATOM 0 HG1 THR A 71 59.538 1.370 7.559 1.00 1.45 H new ATOM 0 HG21 THR A 71 57.781 -0.896 7.631 1.00 1.08 H new ATOM 0 HG22 THR A 71 59.053 -2.140 7.597 1.00 1.08 H new ATOM 0 HG23 THR A 71 59.234 -0.711 8.641 1.00 1.08 H new ATOM 1056 N VAL A 72 61.911 0.032 4.433 1.00 0.73 N ATOM 1057 CA VAL A 72 62.628 0.919 3.472 1.00 0.77 C ATOM 1058 C VAL A 72 61.980 0.840 2.088 1.00 0.80 C ATOM 1059 O VAL A 72 61.895 -0.214 1.490 1.00 1.00 O ATOM 1060 CB VAL A 72 64.055 0.376 3.427 1.00 0.85 C ATOM 1061 CG1 VAL A 72 64.803 1.000 2.247 1.00 1.13 C ATOM 1062 CG2 VAL A 72 64.774 0.732 4.729 1.00 1.13 C ATOM 0 H VAL A 72 61.532 -0.826 4.032 1.00 0.73 H new ATOM 0 HA VAL A 72 62.597 1.966 3.775 1.00 0.77 H new ATOM 0 HB VAL A 72 64.028 -0.707 3.308 1.00 0.85 H new ATOM 0 HG11 VAL A 72 65.821 0.612 2.216 1.00 1.13 H new ATOM 0 HG12 VAL A 72 64.291 0.750 1.318 1.00 1.13 H new ATOM 0 HG13 VAL A 72 64.831 2.083 2.366 1.00 1.13 H new ATOM 0 HG21 VAL A 72 65.793 0.346 4.699 1.00 1.13 H new ATOM 0 HG22 VAL A 72 64.800 1.815 4.846 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.242 0.289 5.571 1.00 1.13 H new ATOM 1072 N ASP A 73 61.525 1.949 1.572 1.00 0.77 N ATOM 1073 CA ASP A 73 60.886 1.940 0.225 1.00 0.83 C ATOM 1074 C ASP A 73 61.894 2.388 -0.837 1.00 0.87 C ATOM 1075 O ASP A 73 63.040 2.662 -0.540 1.00 0.87 O ATOM 1076 CB ASP A 73 59.735 2.942 0.325 1.00 0.85 C ATOM 1077 CG ASP A 73 60.266 4.282 0.834 1.00 1.80 C ATOM 1078 OD1 ASP A 73 61.474 4.413 0.948 1.00 2.47 O ATOM 1079 OD2 ASP A 73 59.457 5.154 1.102 1.00 2.57 O ATOM 0 H ASP A 73 61.568 2.862 2.025 1.00 0.77 H new ATOM 0 HA ASP A 73 60.538 0.948 -0.061 1.00 0.83 H new ATOM 0 HB2 ASP A 73 59.266 3.072 -0.651 1.00 0.85 H new ATOM 0 HB3 ASP A 73 58.967 2.563 1.000 1.00 0.85 H new ATOM 1084 N PHE A 74 61.478 2.466 -2.071 1.00 0.94 N ATOM 1085 CA PHE A 74 62.415 2.898 -3.147 1.00 0.98 C ATOM 1086 C PHE A 74 63.224 4.114 -2.686 1.00 0.86 C ATOM 1087 O PHE A 74 64.347 4.318 -3.101 1.00 0.83 O ATOM 1088 CB PHE A 74 61.519 3.269 -4.328 1.00 1.12 C ATOM 1089 CG PHE A 74 62.360 3.882 -5.423 1.00 1.33 C ATOM 1090 CD1 PHE A 74 63.351 3.120 -6.053 1.00 2.22 C ATOM 1091 CD2 PHE A 74 62.147 5.211 -5.808 1.00 1.97 C ATOM 1092 CE1 PHE A 74 64.130 3.688 -7.068 1.00 3.01 C ATOM 1093 CE2 PHE A 74 62.926 5.778 -6.824 1.00 2.84 C ATOM 1094 CZ PHE A 74 63.917 5.017 -7.454 1.00 3.18 C ATOM 0 H PHE A 74 60.531 2.250 -2.381 1.00 0.94 H new ATOM 0 HA PHE A 74 63.131 2.119 -3.408 1.00 0.98 H new ATOM 0 HB2 PHE A 74 61.006 2.383 -4.702 1.00 1.12 H new ATOM 0 HB3 PHE A 74 60.750 3.972 -4.008 1.00 1.12 H new ATOM 0 HD1 PHE A 74 63.514 2.095 -5.756 1.00 2.22 H new ATOM 0 HD2 PHE A 74 61.382 5.799 -5.322 1.00 1.97 H new ATOM 0 HE1 PHE A 74 64.896 3.101 -7.554 1.00 3.01 H new ATOM 0 HE2 PHE A 74 62.762 6.803 -7.122 1.00 2.84 H new ATOM 0 HZ PHE A 74 64.517 5.455 -8.238 1.00 3.18 H new ATOM 1104 N ASP A 75 62.659 4.924 -1.833 1.00 0.83 N ATOM 1105 CA ASP A 75 63.394 6.127 -1.349 1.00 0.76 C ATOM 1106 C ASP A 75 64.501 5.715 -0.374 1.00 0.69 C ATOM 1107 O ASP A 75 65.672 5.781 -0.689 1.00 0.65 O ATOM 1108 CB ASP A 75 62.339 6.976 -0.639 1.00 0.81 C ATOM 1109 CG ASP A 75 61.644 7.881 -1.658 1.00 0.99 C ATOM 1110 OD1 ASP A 75 62.059 7.874 -2.806 1.00 1.57 O ATOM 1111 OD2 ASP A 75 60.711 8.566 -1.275 1.00 1.49 O ATOM 0 H ASP A 75 61.721 4.805 -1.451 1.00 0.83 H new ATOM 0 HA ASP A 75 63.876 6.672 -2.161 1.00 0.76 H new ATOM 0 HB2 ASP A 75 61.608 6.333 -0.150 1.00 0.81 H new ATOM 0 HB3 ASP A 75 62.806 7.579 0.140 1.00 0.81 H new ATOM 1116 N GLU A 76 64.140 5.287 0.805 1.00 0.77 N ATOM 1117 CA GLU A 76 65.177 4.871 1.792 1.00 0.78 C ATOM 1118 C GLU A 76 66.117 3.845 1.157 1.00 0.70 C ATOM 1119 O GLU A 76 67.243 3.672 1.580 1.00 0.70 O ATOM 1120 CB GLU A 76 64.397 4.241 2.947 1.00 0.95 C ATOM 1121 CG GLU A 76 63.315 5.213 3.423 1.00 1.51 C ATOM 1122 CD GLU A 76 62.870 4.827 4.834 1.00 1.45 C ATOM 1123 OE1 GLU A 76 63.337 3.814 5.327 1.00 1.72 O ATOM 1124 OE2 GLU A 76 62.066 5.552 5.400 1.00 1.94 O ATOM 0 H GLU A 76 63.175 5.207 1.127 1.00 0.77 H new ATOM 0 HA GLU A 76 65.792 5.707 2.127 1.00 0.78 H new ATOM 0 HB2 GLU A 76 63.943 3.304 2.625 1.00 0.95 H new ATOM 0 HB3 GLU A 76 65.073 4.002 3.768 1.00 0.95 H new ATOM 0 HG2 GLU A 76 63.699 6.233 3.417 1.00 1.51 H new ATOM 0 HG3 GLU A 76 62.464 5.189 2.742 1.00 1.51 H new ATOM 1131 N PHE A 77 65.663 3.164 0.142 1.00 0.72 N ATOM 1132 CA PHE A 77 66.528 2.148 -0.524 1.00 0.73 C ATOM 1133 C PHE A 77 67.736 2.827 -1.178 1.00 0.67 C ATOM 1134 O PHE A 77 68.868 2.576 -0.819 1.00 0.69 O ATOM 1135 CB PHE A 77 65.636 1.501 -1.583 1.00 0.84 C ATOM 1136 CG PHE A 77 66.315 0.269 -2.131 1.00 0.97 C ATOM 1137 CD1 PHE A 77 66.977 -0.611 -1.263 1.00 1.32 C ATOM 1138 CD2 PHE A 77 66.285 0.004 -3.505 1.00 1.83 C ATOM 1139 CE1 PHE A 77 67.608 -1.752 -1.771 1.00 1.48 C ATOM 1140 CE2 PHE A 77 66.915 -1.138 -4.012 1.00 2.03 C ATOM 1141 CZ PHE A 77 67.577 -2.017 -3.146 1.00 1.46 C ATOM 0 H PHE A 77 64.730 3.267 -0.256 1.00 0.72 H new ATOM 0 HA PHE A 77 66.921 1.415 0.180 1.00 0.73 H new ATOM 0 HB2 PHE A 77 64.672 1.235 -1.149 1.00 0.84 H new ATOM 0 HB3 PHE A 77 65.438 2.208 -2.388 1.00 0.84 H new ATOM 0 HD1 PHE A 77 67.000 -0.408 -0.202 1.00 1.32 H new ATOM 0 HD2 PHE A 77 65.775 0.681 -4.174 1.00 1.83 H new ATOM 0 HE1 PHE A 77 68.119 -2.429 -1.102 1.00 1.48 H new ATOM 0 HE2 PHE A 77 66.891 -1.342 -5.072 1.00 2.03 H new ATOM 0 HZ PHE A 77 68.063 -2.898 -3.538 1.00 1.46 H new ATOM 1151 N LEU A 78 67.504 3.687 -2.134 1.00 0.66 N ATOM 1152 CA LEU A 78 68.645 4.379 -2.802 1.00 0.68 C ATOM 1153 C LEU A 78 69.403 5.236 -1.786 1.00 0.62 C ATOM 1154 O LEU A 78 70.593 5.448 -1.904 1.00 0.64 O ATOM 1155 CB LEU A 78 68.008 5.252 -3.885 1.00 0.77 C ATOM 1156 CG LEU A 78 67.172 4.382 -4.829 1.00 0.96 C ATOM 1157 CD1 LEU A 78 66.852 5.171 -6.101 1.00 1.55 C ATOM 1158 CD2 LEU A 78 67.958 3.122 -5.204 1.00 1.41 C ATOM 0 H LEU A 78 66.578 3.939 -2.480 1.00 0.66 H new ATOM 0 HA LEU A 78 69.365 3.679 -3.226 1.00 0.68 H new ATOM 0 HB2 LEU A 78 67.379 6.015 -3.426 1.00 0.77 H new ATOM 0 HB3 LEU A 78 68.783 5.773 -4.447 1.00 0.77 H new ATOM 0 HG LEU A 78 66.246 4.098 -4.328 1.00 0.96 H new ATOM 0 HD11 LEU A 78 66.257 4.552 -6.773 1.00 1.55 H new ATOM 0 HD12 LEU A 78 66.290 6.068 -5.841 1.00 1.55 H new ATOM 0 HD13 LEU A 78 67.781 5.455 -6.596 1.00 1.55 H new ATOM 0 HD21 LEU A 78 67.360 2.506 -5.875 1.00 1.41 H new ATOM 0 HD22 LEU A 78 68.885 3.406 -5.702 1.00 1.41 H new ATOM 0 HD23 LEU A 78 68.189 2.556 -4.302 1.00 1.41 H new ATOM 1170 N VAL A 79 68.726 5.720 -0.781 1.00 0.59 N ATOM 1171 CA VAL A 79 69.413 6.554 0.246 1.00 0.61 C ATOM 1172 C VAL A 79 70.382 5.688 1.054 1.00 0.63 C ATOM 1173 O VAL A 79 71.298 6.182 1.681 1.00 0.68 O ATOM 1174 CB VAL A 79 68.294 7.082 1.142 1.00 0.63 C ATOM 1175 CG1 VAL A 79 68.892 7.959 2.244 1.00 0.73 C ATOM 1176 CG2 VAL A 79 67.320 7.911 0.304 1.00 0.70 C ATOM 0 H VAL A 79 67.728 5.574 -0.626 1.00 0.59 H new ATOM 0 HA VAL A 79 69.994 7.363 -0.196 1.00 0.61 H new ATOM 0 HB VAL A 79 67.764 6.243 1.593 1.00 0.63 H new ATOM 0 HG11 VAL A 79 68.093 8.336 2.883 1.00 0.73 H new ATOM 0 HG12 VAL A 79 69.587 7.369 2.841 1.00 0.73 H new ATOM 0 HG13 VAL A 79 69.422 8.798 1.794 1.00 0.73 H new ATOM 0 HG21 VAL A 79 66.521 8.288 0.942 1.00 0.70 H new ATOM 0 HG22 VAL A 79 67.851 8.749 -0.147 1.00 0.70 H new ATOM 0 HG23 VAL A 79 66.893 7.287 -0.481 1.00 0.70 H new ATOM 1186 N MET A 80 70.183 4.399 1.043 1.00 0.65 N ATOM 1187 CA MET A 80 71.090 3.498 1.810 1.00 0.72 C ATOM 1188 C MET A 80 72.459 3.419 1.130 1.00 0.71 C ATOM 1189 O MET A 80 73.455 3.858 1.670 1.00 0.76 O ATOM 1190 CB MET A 80 70.402 2.133 1.790 1.00 0.80 C ATOM 1191 CG MET A 80 70.677 1.403 3.106 1.00 1.12 C ATOM 1192 SD MET A 80 70.019 -0.280 3.012 1.00 2.17 S ATOM 1193 CE MET A 80 68.393 0.075 3.722 1.00 2.77 C ATOM 0 H MET A 80 69.432 3.930 0.536 1.00 0.65 H new ATOM 0 HA MET A 80 71.261 3.854 2.826 1.00 0.72 H new ATOM 0 HB2 MET A 80 69.328 2.257 1.648 1.00 0.80 H new ATOM 0 HB3 MET A 80 70.768 1.542 0.951 1.00 0.80 H new ATOM 0 HG2 MET A 80 71.749 1.375 3.302 1.00 1.12 H new ATOM 0 HG3 MET A 80 70.215 1.939 3.935 1.00 1.12 H new ATOM 0 HE1 MET A 80 68.141 -0.691 4.455 1.00 2.77 H new ATOM 0 HE2 MET A 80 68.413 1.050 4.208 1.00 2.77 H new ATOM 0 HE3 MET A 80 67.644 0.080 2.931 1.00 2.77 H new ATOM 1203 N MET A 81 72.519 2.861 -0.048 1.00 0.69 N ATOM 1204 CA MET A 81 73.835 2.758 -0.750 1.00 0.74 C ATOM 1205 C MET A 81 74.587 4.087 -0.650 1.00 0.75 C ATOM 1206 O MET A 81 75.768 4.121 -0.365 1.00 0.82 O ATOM 1207 CB MET A 81 73.539 2.418 -2.224 1.00 0.73 C ATOM 1208 CG MET A 81 72.206 3.028 -2.679 1.00 0.89 C ATOM 1209 SD MET A 81 71.046 1.706 -3.136 1.00 1.41 S ATOM 1210 CE MET A 81 71.309 0.592 -1.727 1.00 1.21 C ATOM 0 H MET A 81 71.722 2.474 -0.554 1.00 0.69 H new ATOM 0 HA MET A 81 74.459 1.988 -0.297 1.00 0.74 H new ATOM 0 HB2 MET A 81 74.346 2.790 -2.855 1.00 0.73 H new ATOM 0 HB3 MET A 81 73.509 1.336 -2.351 1.00 0.73 H new ATOM 0 HG2 MET A 81 71.782 3.635 -1.879 1.00 0.89 H new ATOM 0 HG3 MET A 81 72.370 3.690 -3.529 1.00 0.89 H new ATOM 0 HE1 MET A 81 71.510 -0.415 -2.092 1.00 1.21 H new ATOM 0 HE2 MET A 81 72.158 0.942 -1.140 1.00 1.21 H new ATOM 0 HE3 MET A 81 70.416 0.580 -1.101 1.00 1.21 H new ATOM 1220 N VAL A 82 73.917 5.184 -0.872 1.00 0.72 N ATOM 1221 CA VAL A 82 74.609 6.502 -0.778 1.00 0.78 C ATOM 1222 C VAL A 82 75.446 6.554 0.503 1.00 0.81 C ATOM 1223 O VAL A 82 76.660 6.597 0.461 1.00 0.93 O ATOM 1224 CB VAL A 82 73.488 7.539 -0.730 1.00 0.80 C ATOM 1225 CG1 VAL A 82 74.091 8.936 -0.562 1.00 1.08 C ATOM 1226 CG2 VAL A 82 72.689 7.486 -2.033 1.00 1.36 C ATOM 0 H VAL A 82 72.927 5.226 -1.113 1.00 0.72 H new ATOM 0 HA VAL A 82 75.285 6.680 -1.614 1.00 0.78 H new ATOM 0 HB VAL A 82 72.830 7.322 0.111 1.00 0.80 H new ATOM 0 HG11 VAL A 82 73.291 9.676 -0.528 1.00 1.08 H new ATOM 0 HG12 VAL A 82 74.663 8.976 0.365 1.00 1.08 H new ATOM 0 HG13 VAL A 82 74.749 9.152 -1.404 1.00 1.08 H new ATOM 0 HG21 VAL A 82 71.889 8.226 -2.000 1.00 1.36 H new ATOM 0 HG22 VAL A 82 73.349 7.703 -2.873 1.00 1.36 H new ATOM 0 HG23 VAL A 82 72.259 6.492 -2.156 1.00 1.36 H new ATOM 1236 N ARG A 83 74.806 6.543 1.641 1.00 0.79 N ATOM 1237 CA ARG A 83 75.567 6.584 2.923 1.00 0.85 C ATOM 1238 C ARG A 83 76.640 5.493 2.924 1.00 0.90 C ATOM 1239 O ARG A 83 77.694 5.644 3.507 1.00 1.00 O ATOM 1240 CB ARG A 83 74.525 6.310 4.008 1.00 0.87 C ATOM 1241 CG ARG A 83 74.054 7.635 4.612 1.00 1.07 C ATOM 1242 CD ARG A 83 73.496 7.386 6.015 1.00 0.92 C ATOM 1243 NE ARG A 83 74.506 7.972 6.938 1.00 1.62 N ATOM 1244 CZ ARG A 83 75.585 7.301 7.236 1.00 1.83 C ATOM 1245 NH1 ARG A 83 76.504 7.107 6.329 1.00 2.49 N ATOM 1246 NH2 ARG A 83 75.743 6.822 8.439 1.00 2.14 N ATOM 0 H ARG A 83 73.791 6.507 1.739 1.00 0.79 H new ATOM 0 HA ARG A 83 76.075 7.536 3.078 1.00 0.85 H new ATOM 0 HB2 ARG A 83 73.678 5.770 3.585 1.00 0.87 H new ATOM 0 HB3 ARG A 83 74.952 5.676 4.785 1.00 0.87 H new ATOM 0 HG2 ARG A 83 74.883 8.341 4.659 1.00 1.07 H new ATOM 0 HG3 ARG A 83 73.289 8.084 3.979 1.00 1.07 H new ATOM 0 HD2 ARG A 83 72.522 7.859 6.143 1.00 0.92 H new ATOM 0 HD3 ARG A 83 73.360 6.321 6.203 1.00 0.92 H new ATOM 0 HE ARG A 83 74.355 8.898 7.338 1.00 1.62 H new ATOM 0 HH11 ARG A 83 76.378 7.480 5.388 1.00 2.49 H new ATOM 0 HH12 ARG A 83 77.347 6.583 6.562 1.00 2.49 H new ATOM 0 HH21 ARG A 83 75.023 6.972 9.146 1.00 2.14 H new ATOM 0 HH22 ARG A 83 76.586 6.297 8.672 1.00 2.14 H new ATOM 1260 N SER A 84 76.375 4.394 2.271 1.00 0.92 N ATOM 1261 CA SER A 84 77.375 3.289 2.228 1.00 1.01 C ATOM 1262 C SER A 84 77.902 3.112 0.801 1.00 1.06 C ATOM 1263 O SER A 84 78.077 2.007 0.326 1.00 1.38 O ATOM 1264 CB SER A 84 76.609 2.044 2.672 1.00 1.04 C ATOM 1265 OG SER A 84 77.523 1.092 3.200 1.00 1.52 O ATOM 0 H SER A 84 75.508 4.214 1.765 1.00 0.92 H new ATOM 0 HA SER A 84 78.237 3.486 2.865 1.00 1.01 H new ATOM 0 HB2 SER A 84 75.867 2.309 3.425 1.00 1.04 H new ATOM 0 HB3 SER A 84 76.068 1.616 1.828 1.00 1.04 H new ATOM 0 HG SER A 84 77.034 0.293 3.487 1.00 1.52 H new ATOM 1271 N MET A 85 78.153 4.193 0.113 1.00 0.00 N ATOM 1272 CA MET A 85 78.665 4.086 -1.284 1.00 0.00 C ATOM 1273 C MET A 85 80.064 4.699 -1.384 1.00 0.00 C ATOM 1274 O MET A 85 81.007 4.053 -1.795 1.00 0.00 O ATOM 1275 CB MET A 85 77.671 4.882 -2.130 1.00 0.00 C ATOM 1276 CG MET A 85 76.821 3.919 -2.962 1.00 0.00 C ATOM 1277 SD MET A 85 75.768 4.864 -4.090 1.00 0.00 S ATOM 1278 CE MET A 85 75.247 3.478 -5.130 1.00 0.00 C ATOM 0 H MET A 85 78.026 5.145 0.457 1.00 0.00 H new ATOM 0 HA MET A 85 78.748 3.051 -1.615 1.00 0.00 H new ATOM 0 HB2 MET A 85 77.031 5.485 -1.486 1.00 0.00 H new ATOM 0 HB3 MET A 85 78.205 5.571 -2.785 1.00 0.00 H new ATOM 0 HG2 MET A 85 77.464 3.245 -3.527 1.00 0.00 H new ATOM 0 HG3 MET A 85 76.207 3.300 -2.307 1.00 0.00 H new ATOM 0 HE1 MET A 85 75.363 3.747 -6.180 1.00 0.00 H new ATOM 0 HE2 MET A 85 75.862 2.606 -4.909 1.00 0.00 H new ATOM 0 HE3 MET A 85 74.202 3.245 -4.928 1.00 0.00 H new