USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 504 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 15 THR OG1 : rot -104:sc= 1.61 USER MOD Set 1.2: A 18 GLN : amide:sc= 1.82 K(o=3.4,f=1.7) USER MOD Single : A 1 SER N :NH3+ 150:sc= 0.0115 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.01 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 16 SER OG : rot -140:sc= 0.894 USER MOD Single : A 24 LYS NZ :NH3+ 167:sc= -0.076 (180deg=-0.381) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 0.803 (180deg=0.743) USER MOD Single : A 30 LYS NZ :NH3+ 144:sc= 0.985 (180deg=0.315) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -170:sc= 0.086 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 52:sc= 1.22 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 HIS : no HD1:sc= -4.1! K(o=-4.1!,f=-1.5) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.4) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.0621 K(o=-0.062,f=-1.4!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 170:sc= -0.0107 (180deg=-0.127) USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.344 -26.254 -17.421 1.00 75.41 N ATOM 2 CA SER A 1 1.533 -24.911 -16.877 1.00 41.24 C ATOM 3 C SER A 1 2.340 -24.062 -17.854 1.00 35.54 C ATOM 4 O SER A 1 3.519 -24.334 -18.063 1.00 42.10 O ATOM 5 CB SER A 1 2.249 -25.012 -15.533 1.00 44.20 C ATOM 6 OG SER A 1 1.516 -25.803 -14.613 1.00 4.14 O ATOM 0 H1 SER A 1 1.276 -26.938 -16.641 1.00 75.41 H new ATOM 0 H2 SER A 1 0.469 -26.281 -17.982 1.00 75.41 H new ATOM 0 H3 SER A 1 2.152 -26.500 -18.028 1.00 75.41 H new ATOM 0 HA SER A 1 0.564 -24.433 -16.730 1.00 41.24 H new ATOM 0 HB2 SER A 1 3.239 -25.444 -15.678 1.00 44.20 H new ATOM 0 HB3 SER A 1 2.395 -24.013 -15.121 1.00 44.20 H new ATOM 0 HG SER A 1 2.001 -25.850 -13.763 1.00 4.14 H new ATOM 11 N ALA A 2 1.725 -23.049 -18.474 1.00 22.25 N ATOM 12 CA ALA A 2 2.433 -22.092 -19.319 1.00 4.15 C ATOM 13 C ALA A 2 3.372 -21.211 -18.470 1.00 32.41 C ATOM 14 O ALA A 2 3.167 -21.091 -17.256 1.00 61.32 O ATOM 15 CB ALA A 2 1.397 -21.221 -20.036 1.00 61.21 C ATOM 0 H ALA A 2 0.723 -22.873 -18.402 1.00 22.25 H new ATOM 0 HA ALA A 2 3.042 -22.626 -20.048 1.00 4.15 H new ATOM 0 HB1 ALA A 2 1.907 -20.499 -20.673 1.00 61.21 H new ATOM 0 HB2 ALA A 2 0.752 -21.852 -20.647 1.00 61.21 H new ATOM 0 HB3 ALA A 2 0.794 -20.692 -19.298 1.00 61.21 H new ATOM 21 N PRO A 3 4.372 -20.547 -19.075 1.00 51.42 N ATOM 22 CA PRO A 3 5.172 -19.525 -18.404 1.00 43.30 C ATOM 23 C PRO A 3 4.349 -18.257 -18.125 1.00 15.14 C ATOM 24 O PRO A 3 3.190 -18.128 -18.534 1.00 12.43 O ATOM 25 CB PRO A 3 6.342 -19.247 -19.356 1.00 20.44 C ATOM 26 CG PRO A 3 5.746 -19.545 -20.732 1.00 2.45 C ATOM 27 CD PRO A 3 4.823 -20.725 -20.449 1.00 55.20 C ATOM 0 HA PRO A 3 5.520 -19.859 -17.427 1.00 43.30 H new ATOM 0 HB2 PRO A 3 6.687 -18.216 -19.281 1.00 20.44 H new ATOM 0 HB3 PRO A 3 7.198 -19.886 -19.140 1.00 20.44 H new ATOM 0 HG2 PRO A 3 5.200 -18.690 -21.130 1.00 2.45 H new ATOM 0 HG3 PRO A 3 6.516 -19.799 -21.460 1.00 2.45 H new ATOM 0 HD2 PRO A 3 3.980 -20.738 -21.140 1.00 55.20 H new ATOM 0 HD3 PRO A 3 5.349 -21.672 -20.570 1.00 55.20 H new ATOM 32 N GLY A 4 4.945 -17.284 -17.442 1.00 75.12 N ATOM 33 CA GLY A 4 4.337 -15.992 -17.151 1.00 21.51 C ATOM 34 C GLY A 4 5.282 -15.119 -16.335 1.00 52.24 C ATOM 35 O GLY A 4 6.429 -15.502 -16.093 1.00 62.31 O ATOM 0 H GLY A 4 5.889 -17.376 -17.066 1.00 75.12 H new ATOM 0 HA2 GLY A 4 4.082 -15.487 -18.083 1.00 21.51 H new ATOM 0 HA3 GLY A 4 3.406 -16.139 -16.603 1.00 21.51 H new ATOM 39 N GLY A 5 4.802 -13.952 -15.903 1.00 41.02 N ATOM 40 CA GLY A 5 5.561 -13.018 -15.083 1.00 52.41 C ATOM 41 C GLY A 5 6.019 -13.681 -13.785 1.00 64.51 C ATOM 42 O GLY A 5 5.201 -13.929 -12.893 1.00 24.15 O ATOM 0 H GLY A 5 3.859 -13.628 -16.119 1.00 41.02 H new ATOM 0 HA2 GLY A 5 6.428 -12.661 -15.639 1.00 52.41 H new ATOM 0 HA3 GLY A 5 4.947 -12.147 -14.854 1.00 52.41 H new ATOM 46 N LYS A 6 7.310 -13.999 -13.685 1.00 64.44 N ATOM 47 CA LYS A 6 7.905 -14.670 -12.537 1.00 23.55 C ATOM 48 C LYS A 6 9.282 -14.048 -12.310 1.00 42.21 C ATOM 49 O LYS A 6 10.309 -14.665 -12.609 1.00 34.24 O ATOM 50 CB LYS A 6 7.921 -16.190 -12.813 1.00 73.24 C ATOM 51 CG LYS A 6 7.889 -17.017 -11.528 1.00 34.15 C ATOM 52 CD LYS A 6 8.269 -18.475 -11.813 1.00 20.31 C ATOM 53 CE LYS A 6 7.770 -19.404 -10.701 1.00 34.34 C ATOM 54 NZ LYS A 6 8.604 -20.613 -10.552 1.00 44.21 N ATOM 0 H LYS A 6 7.985 -13.790 -14.421 1.00 64.44 H new ATOM 0 HA LYS A 6 7.338 -14.539 -11.615 1.00 23.55 H new ATOM 0 HB2 LYS A 6 7.063 -16.453 -13.432 1.00 73.24 H new ATOM 0 HB3 LYS A 6 8.815 -16.443 -13.383 1.00 73.24 H new ATOM 0 HG2 LYS A 6 8.579 -16.592 -10.799 1.00 34.15 H new ATOM 0 HG3 LYS A 6 6.893 -16.975 -11.087 1.00 34.15 H new ATOM 0 HD2 LYS A 6 7.844 -18.785 -12.768 1.00 20.31 H new ATOM 0 HD3 LYS A 6 9.352 -18.561 -11.904 1.00 20.31 H new ATOM 0 HE2 LYS A 6 7.755 -18.859 -9.757 1.00 34.34 H new ATOM 0 HE3 LYS A 6 6.743 -19.700 -10.914 1.00 34.34 H new ATOM 0 HZ1 LYS A 6 8.223 -21.206 -9.787 1.00 44.21 H new ATOM 0 HZ2 LYS A 6 8.598 -21.150 -11.442 1.00 44.21 H new ATOM 0 HZ3 LYS A 6 9.579 -20.336 -10.321 1.00 44.21 H new ATOM 64 N SER A 7 9.305 -12.780 -11.908 1.00 51.31 N ATOM 65 CA SER A 7 10.518 -12.005 -11.694 1.00 11.02 C ATOM 66 C SER A 7 10.242 -10.954 -10.614 1.00 53.23 C ATOM 67 O SER A 7 9.156 -10.925 -10.027 1.00 11.23 O ATOM 68 CB SER A 7 10.955 -11.374 -13.027 1.00 52.43 C ATOM 69 OG SER A 7 12.334 -11.063 -12.987 1.00 55.22 O ATOM 0 H SER A 7 8.454 -12.251 -11.717 1.00 51.31 H new ATOM 0 HA SER A 7 11.336 -12.637 -11.348 1.00 11.02 H new ATOM 0 HB2 SER A 7 10.753 -12.062 -13.848 1.00 52.43 H new ATOM 0 HB3 SER A 7 10.376 -10.471 -13.218 1.00 52.43 H new ATOM 0 HG SER A 7 12.604 -10.663 -13.840 1.00 55.22 H new ATOM 74 N ARG A 8 11.221 -10.096 -10.316 1.00 53.00 N ATOM 75 CA ARG A 8 11.088 -9.013 -9.344 1.00 61.40 C ATOM 76 C ARG A 8 11.631 -7.726 -9.944 1.00 3.12 C ATOM 77 O ARG A 8 12.674 -7.728 -10.601 1.00 43.02 O ATOM 78 CB ARG A 8 11.814 -9.359 -8.027 1.00 20.33 C ATOM 79 CG ARG A 8 13.287 -9.757 -8.234 1.00 64.34 C ATOM 80 CD ARG A 8 14.132 -9.685 -6.962 1.00 75.34 C ATOM 81 NE ARG A 8 13.763 -10.678 -5.947 1.00 14.31 N ATOM 82 CZ ARG A 8 14.100 -11.970 -5.969 1.00 51.01 C ATOM 83 NH1 ARG A 8 14.578 -12.540 -7.074 1.00 53.04 N ATOM 84 NH2 ARG A 8 13.958 -12.668 -4.854 1.00 61.32 N ATOM 0 H ARG A 8 12.142 -10.137 -10.752 1.00 53.00 H new ATOM 0 HA ARG A 8 10.033 -8.877 -9.107 1.00 61.40 H new ATOM 0 HB2 ARG A 8 11.767 -8.500 -7.357 1.00 20.33 H new ATOM 0 HB3 ARG A 8 11.289 -10.177 -7.534 1.00 20.33 H new ATOM 0 HG2 ARG A 8 13.327 -10.772 -8.628 1.00 64.34 H new ATOM 0 HG3 ARG A 8 13.727 -9.105 -8.988 1.00 64.34 H new ATOM 0 HD2 ARG A 8 15.181 -9.822 -7.226 1.00 75.34 H new ATOM 0 HD3 ARG A 8 14.039 -8.688 -6.532 1.00 75.34 H new ATOM 0 HE ARG A 8 13.202 -10.355 -5.159 1.00 14.31 H new ATOM 0 HH11 ARG A 8 14.692 -11.988 -7.924 1.00 53.04 H new ATOM 0 HH12 ARG A 8 14.830 -13.528 -7.070 1.00 53.04 H new ATOM 0 HH21 ARG A 8 13.600 -12.217 -4.012 1.00 61.32 H new ATOM 0 HH22 ARG A 8 14.206 -13.657 -4.836 1.00 61.32 H new ATOM 95 N ARG A 9 10.990 -6.602 -9.627 1.00 14.33 N ATOM 96 CA ARG A 9 11.573 -5.296 -9.871 1.00 40.11 C ATOM 97 C ARG A 9 12.641 -5.023 -8.820 1.00 40.04 C ATOM 98 O ARG A 9 13.810 -4.979 -9.185 1.00 52.24 O ATOM 99 CB ARG A 9 10.490 -4.204 -9.950 1.00 20.53 C ATOM 100 CG ARG A 9 11.064 -2.828 -10.330 1.00 21.51 C ATOM 101 CD ARG A 9 11.245 -2.579 -11.832 1.00 34.15 C ATOM 102 NE ARG A 9 12.127 -3.537 -12.531 1.00 3.13 N ATOM 103 CZ ARG A 9 12.018 -3.870 -13.828 1.00 43.42 C ATOM 104 NH1 ARG A 9 11.045 -3.375 -14.581 1.00 60.44 N ATOM 105 NH2 ARG A 9 12.881 -4.696 -14.405 1.00 24.51 N ATOM 0 H ARG A 9 10.064 -6.576 -9.200 1.00 14.33 H new ATOM 0 HA ARG A 9 12.061 -5.282 -10.846 1.00 40.11 H new ATOM 0 HB2 ARG A 9 9.738 -4.495 -10.684 1.00 20.53 H new ATOM 0 HB3 ARG A 9 9.984 -4.129 -8.988 1.00 20.53 H new ATOM 0 HG2 ARG A 9 10.407 -2.056 -9.928 1.00 21.51 H new ATOM 0 HG3 ARG A 9 12.031 -2.710 -9.841 1.00 21.51 H new ATOM 0 HD2 ARG A 9 10.264 -2.600 -12.307 1.00 34.15 H new ATOM 0 HD3 ARG A 9 11.645 -1.575 -11.971 1.00 34.15 H new ATOM 0 HE ARG A 9 12.872 -3.977 -11.990 1.00 3.13 H new ATOM 0 HH11 ARG A 9 10.365 -2.731 -14.177 1.00 60.44 H new ATOM 0 HH12 ARG A 9 10.977 -3.638 -15.564 1.00 60.44 H new ATOM 0 HH21 ARG A 9 13.648 -5.093 -13.862 1.00 24.51 H new ATOM 0 HH22 ARG A 9 12.778 -4.934 -15.391 1.00 24.51 H new ATOM 116 N ARG A 10 12.254 -4.800 -7.552 1.00 34.11 N ATOM 117 CA ARG A 10 13.133 -4.325 -6.473 1.00 31.52 C ATOM 118 C ARG A 10 14.039 -3.197 -6.981 1.00 53.34 C ATOM 119 O ARG A 10 15.256 -3.316 -6.992 1.00 74.10 O ATOM 120 CB ARG A 10 13.897 -5.503 -5.811 1.00 34.25 C ATOM 121 CG ARG A 10 14.422 -5.147 -4.400 1.00 21.44 C ATOM 122 CD ARG A 10 15.917 -5.387 -4.170 1.00 32.22 C ATOM 123 NE ARG A 10 16.741 -4.479 -4.979 1.00 50.42 N ATOM 124 CZ ARG A 10 17.349 -3.359 -4.580 1.00 50.14 C ATOM 125 NH1 ARG A 10 17.413 -3.029 -3.295 1.00 1.23 N ATOM 126 NH2 ARG A 10 17.894 -2.559 -5.489 1.00 52.02 N ATOM 0 H ARG A 10 11.294 -4.950 -7.242 1.00 34.11 H new ATOM 0 HA ARG A 10 12.528 -3.893 -5.676 1.00 31.52 H new ATOM 0 HB2 ARG A 10 13.237 -6.368 -5.743 1.00 34.25 H new ATOM 0 HB3 ARG A 10 14.735 -5.791 -6.446 1.00 34.25 H new ATOM 0 HG2 ARG A 10 14.207 -4.096 -4.206 1.00 21.44 H new ATOM 0 HG3 ARG A 10 13.862 -5.727 -3.667 1.00 21.44 H new ATOM 0 HD2 ARG A 10 16.150 -5.248 -3.114 1.00 32.22 H new ATOM 0 HD3 ARG A 10 16.163 -6.420 -4.417 1.00 32.22 H new ATOM 0 HE ARG A 10 16.863 -4.734 -5.959 1.00 50.42 H new ATOM 0 HH11 ARG A 10 16.993 -3.636 -2.591 1.00 1.23 H new ATOM 0 HH12 ARG A 10 17.882 -2.169 -3.012 1.00 1.23 H new ATOM 0 HH21 ARG A 10 17.845 -2.803 -6.478 1.00 52.02 H new ATOM 0 HH22 ARG A 10 18.361 -1.700 -5.198 1.00 52.02 H new ATOM 137 N ARG A 11 13.435 -2.103 -7.473 1.00 2.42 N ATOM 138 CA ARG A 11 14.195 -1.014 -8.091 1.00 41.22 C ATOM 139 C ARG A 11 13.517 0.329 -7.821 1.00 32.14 C ATOM 140 O ARG A 11 13.415 1.175 -8.711 1.00 64.50 O ATOM 141 CB ARG A 11 14.387 -1.317 -9.592 1.00 40.02 C ATOM 142 CG ARG A 11 15.658 -0.650 -10.128 1.00 22.34 C ATOM 143 CD ARG A 11 15.795 -0.859 -11.642 1.00 2.32 C ATOM 144 NE ARG A 11 16.270 0.369 -12.293 1.00 11.25 N ATOM 145 CZ ARG A 11 17.503 0.650 -12.726 1.00 74.31 C ATOM 146 NH1 ARG A 11 18.483 -0.241 -12.635 1.00 15.11 N ATOM 147 NH2 ARG A 11 17.718 1.845 -13.271 1.00 54.03 N ATOM 0 H ARG A 11 12.426 -1.953 -7.453 1.00 2.42 H new ATOM 0 HA ARG A 11 15.188 -0.942 -7.648 1.00 41.22 H new ATOM 0 HB2 ARG A 11 14.445 -2.395 -9.745 1.00 40.02 H new ATOM 0 HB3 ARG A 11 13.522 -0.962 -10.152 1.00 40.02 H new ATOM 0 HG2 ARG A 11 15.634 0.417 -9.906 1.00 22.34 H new ATOM 0 HG3 ARG A 11 16.530 -1.062 -9.620 1.00 22.34 H new ATOM 0 HD2 ARG A 11 16.490 -1.674 -11.840 1.00 2.32 H new ATOM 0 HD3 ARG A 11 14.833 -1.151 -12.063 1.00 2.32 H new ATOM 0 HE ARG A 11 15.571 1.099 -12.432 1.00 11.25 H new ATOM 0 HH11 ARG A 11 18.302 -1.159 -12.229 1.00 15.11 H new ATOM 0 HH12 ARG A 11 19.417 -0.008 -12.971 1.00 15.11 H new ATOM 0 HH21 ARG A 11 16.953 2.515 -13.348 1.00 54.03 H new ATOM 0 HH22 ARG A 11 18.648 2.091 -13.611 1.00 54.03 H new ATOM 158 N THR A 12 12.936 0.489 -6.638 1.00 65.31 N ATOM 159 CA THR A 12 12.189 1.674 -6.236 1.00 72.12 C ATOM 160 C THR A 12 12.208 1.716 -4.699 1.00 34.41 C ATOM 161 O THR A 12 12.784 0.827 -4.062 1.00 72.11 O ATOM 162 CB THR A 12 10.748 1.623 -6.811 1.00 21.42 C ATOM 163 OG1 THR A 12 10.623 0.794 -7.962 1.00 12.42 O ATOM 164 CG2 THR A 12 10.267 3.014 -7.222 1.00 43.30 C ATOM 0 H THR A 12 12.973 -0.224 -5.910 1.00 65.31 H new ATOM 0 HA THR A 12 12.638 2.586 -6.629 1.00 72.12 H new ATOM 0 HB THR A 12 10.146 1.210 -6.002 1.00 21.42 H new ATOM 0 HG1 THR A 12 9.694 0.804 -8.273 1.00 12.42 H new ATOM 0 HG21 THR A 12 9.255 2.946 -7.621 1.00 43.30 H new ATOM 0 HG22 THR A 12 10.271 3.672 -6.353 1.00 43.30 H new ATOM 0 HG23 THR A 12 10.932 3.418 -7.986 1.00 43.30 H new ATOM 172 N ALA A 13 11.528 2.676 -4.068 1.00 70.42 N ATOM 173 CA ALA A 13 11.303 2.686 -2.623 1.00 50.12 C ATOM 174 C ALA A 13 10.651 1.390 -2.117 1.00 4.43 C ATOM 175 O ALA A 13 10.730 1.102 -0.923 1.00 62.42 O ATOM 176 CB ALA A 13 10.436 3.892 -2.256 1.00 70.10 C ATOM 0 H ALA A 13 11.115 3.474 -4.551 1.00 70.42 H new ATOM 0 HA ALA A 13 12.276 2.758 -2.136 1.00 50.12 H new ATOM 0 HB1 ALA A 13 10.266 3.903 -1.179 1.00 70.10 H new ATOM 0 HB2 ALA A 13 10.944 4.809 -2.553 1.00 70.10 H new ATOM 0 HB3 ALA A 13 9.479 3.824 -2.774 1.00 70.10 H new ATOM 182 N PHE A 14 10.033 0.595 -2.998 1.00 1.44 N ATOM 183 CA PHE A 14 9.318 -0.638 -2.685 1.00 43.43 C ATOM 184 C PHE A 14 9.659 -1.714 -3.712 1.00 30.45 C ATOM 185 O PHE A 14 10.329 -1.423 -4.711 1.00 11.45 O ATOM 186 CB PHE A 14 7.824 -0.329 -2.643 1.00 53.33 C ATOM 187 CG PHE A 14 7.509 0.705 -1.580 1.00 5.42 C ATOM 188 CD1 PHE A 14 7.539 2.073 -1.899 1.00 53.13 C ATOM 189 CD2 PHE A 14 7.170 0.306 -0.278 1.00 70.21 C ATOM 190 CE1 PHE A 14 7.183 3.040 -0.942 1.00 10.21 C ATOM 191 CE2 PHE A 14 6.764 1.263 0.667 1.00 51.00 C ATOM 192 CZ PHE A 14 6.784 2.630 0.338 1.00 41.33 C ATOM 0 H PHE A 14 10.020 0.808 -3.995 1.00 1.44 H new ATOM 0 HA PHE A 14 9.619 -1.025 -1.712 1.00 43.43 H new ATOM 0 HB2 PHE A 14 7.498 0.036 -3.617 1.00 53.33 H new ATOM 0 HB3 PHE A 14 7.266 -1.243 -2.442 1.00 53.33 H new ATOM 0 HD1 PHE A 14 7.838 2.385 -2.889 1.00 53.13 H new ATOM 0 HD2 PHE A 14 7.221 -0.737 -0.002 1.00 70.21 H new ATOM 0 HE1 PHE A 14 7.217 4.090 -1.191 1.00 10.21 H new ATOM 0 HE2 PHE A 14 6.436 0.949 1.647 1.00 51.00 H new ATOM 0 HZ PHE A 14 6.491 3.366 1.073 1.00 41.33 H new ATOM 201 N THR A 15 9.205 -2.949 -3.490 1.00 64.30 N ATOM 202 CA THR A 15 9.492 -4.087 -4.357 1.00 32.35 C ATOM 203 C THR A 15 8.180 -4.615 -4.943 1.00 62.52 C ATOM 204 O THR A 15 7.110 -4.230 -4.481 1.00 12.34 O ATOM 205 CB THR A 15 10.251 -5.172 -3.572 1.00 53.02 C ATOM 206 OG1 THR A 15 9.364 -5.858 -2.717 1.00 3.42 O ATOM 207 CG2 THR A 15 11.394 -4.630 -2.710 1.00 54.03 C ATOM 0 H THR A 15 8.619 -3.187 -2.690 1.00 64.30 H new ATOM 0 HA THR A 15 10.134 -3.778 -5.182 1.00 32.35 H new ATOM 0 HB THR A 15 10.681 -5.828 -4.328 1.00 53.02 H new ATOM 0 HG1 THR A 15 9.494 -5.550 -1.796 1.00 3.42 H new ATOM 0 HG21 THR A 15 11.879 -5.455 -2.189 1.00 54.03 H new ATOM 0 HG22 THR A 15 12.121 -4.125 -3.346 1.00 54.03 H new ATOM 0 HG23 THR A 15 10.997 -3.924 -1.981 1.00 54.03 H new ATOM 215 N SER A 16 8.239 -5.524 -5.919 1.00 13.42 N ATOM 216 CA SER A 16 7.050 -6.150 -6.489 1.00 55.30 C ATOM 217 C SER A 16 6.260 -6.957 -5.453 1.00 52.24 C ATOM 218 O SER A 16 5.057 -7.138 -5.609 1.00 15.04 O ATOM 219 CB SER A 16 7.475 -7.051 -7.648 1.00 21.14 C ATOM 220 OG SER A 16 8.381 -6.357 -8.493 1.00 4.25 O ATOM 0 H SER A 16 9.114 -5.845 -6.334 1.00 13.42 H new ATOM 0 HA SER A 16 6.387 -5.361 -6.843 1.00 55.30 H new ATOM 0 HB2 SER A 16 7.944 -7.956 -7.263 1.00 21.14 H new ATOM 0 HB3 SER A 16 6.599 -7.363 -8.217 1.00 21.14 H new ATOM 0 HG SER A 16 8.181 -6.566 -9.429 1.00 4.25 H new ATOM 225 N GLU A 17 6.919 -7.427 -4.397 1.00 41.03 N ATOM 226 CA GLU A 17 6.347 -8.141 -3.278 1.00 11.03 C ATOM 227 C GLU A 17 5.658 -7.132 -2.367 1.00 31.53 C ATOM 228 O GLU A 17 4.452 -7.191 -2.165 1.00 23.31 O ATOM 229 CB GLU A 17 7.517 -8.860 -2.599 1.00 43.01 C ATOM 230 CG GLU A 17 7.102 -9.881 -1.544 1.00 23.33 C ATOM 231 CD GLU A 17 8.348 -10.392 -0.817 1.00 31.44 C ATOM 232 OE1 GLU A 17 9.077 -11.267 -1.349 1.00 11.45 O ATOM 233 OE2 GLU A 17 8.695 -9.839 0.248 1.00 71.23 O ATOM 0 H GLU A 17 7.928 -7.308 -4.302 1.00 41.03 H new ATOM 0 HA GLU A 17 5.592 -8.874 -3.563 1.00 11.03 H new ATOM 0 HB2 GLU A 17 8.110 -9.364 -3.362 1.00 43.01 H new ATOM 0 HB3 GLU A 17 8.164 -8.116 -2.133 1.00 43.01 H new ATOM 0 HG2 GLU A 17 6.413 -9.426 -0.833 1.00 23.33 H new ATOM 0 HG3 GLU A 17 6.574 -10.711 -2.013 1.00 23.33 H new ATOM 238 N GLN A 18 6.416 -6.163 -1.861 1.00 22.33 N ATOM 239 CA GLN A 18 5.918 -5.194 -0.904 1.00 22.44 C ATOM 240 C GLN A 18 4.882 -4.243 -1.513 1.00 50.30 C ATOM 241 O GLN A 18 4.129 -3.639 -0.760 1.00 43.10 O ATOM 242 CB GLN A 18 7.124 -4.478 -0.279 1.00 33.24 C ATOM 243 CG GLN A 18 7.710 -5.332 0.861 1.00 41.42 C ATOM 244 CD GLN A 18 9.229 -5.335 0.903 1.00 14.01 C ATOM 245 OE1 GLN A 18 9.877 -5.659 -0.090 1.00 12.32 O ATOM 246 NE2 GLN A 18 9.822 -5.024 2.040 1.00 63.23 N ATOM 0 H GLN A 18 7.397 -6.032 -2.108 1.00 22.33 H new ATOM 0 HA GLN A 18 5.367 -5.703 -0.113 1.00 22.44 H new ATOM 0 HB2 GLN A 18 7.885 -4.299 -1.039 1.00 33.24 H new ATOM 0 HB3 GLN A 18 6.821 -3.504 0.104 1.00 33.24 H new ATOM 0 HG2 GLN A 18 7.330 -4.962 1.813 1.00 41.42 H new ATOM 0 HG3 GLN A 18 7.356 -6.357 0.754 1.00 41.42 H new ATOM 0 HE21 GLN A 18 9.263 -4.758 2.851 1.00 63.23 H new ATOM 0 HE22 GLN A 18 10.839 -5.049 2.108 1.00 63.23 H new ATOM 253 N LEU A 19 4.808 -4.089 -2.834 1.00 63.53 N ATOM 254 CA LEU A 19 3.723 -3.375 -3.500 1.00 63.51 C ATOM 255 C LEU A 19 2.475 -4.244 -3.587 1.00 70.32 C ATOM 256 O LEU A 19 1.392 -3.768 -3.262 1.00 5.21 O ATOM 257 CB LEU A 19 4.169 -2.977 -4.915 1.00 63.22 C ATOM 258 CG LEU A 19 5.071 -1.741 -4.913 1.00 12.25 C ATOM 259 CD1 LEU A 19 5.798 -1.607 -6.250 1.00 53.04 C ATOM 260 CD2 LEU A 19 4.260 -0.476 -4.645 1.00 72.30 C ATOM 0 H LEU A 19 5.507 -4.460 -3.477 1.00 63.53 H new ATOM 0 HA LEU A 19 3.484 -2.484 -2.919 1.00 63.51 H new ATOM 0 HB2 LEU A 19 4.700 -3.811 -5.374 1.00 63.22 H new ATOM 0 HB3 LEU A 19 3.290 -2.782 -5.529 1.00 63.22 H new ATOM 0 HG LEU A 19 5.804 -1.865 -4.116 1.00 12.25 H new ATOM 0 HD11 LEU A 19 6.435 -0.723 -6.231 1.00 53.04 H new ATOM 0 HD12 LEU A 19 6.411 -2.492 -6.421 1.00 53.04 H new ATOM 0 HD13 LEU A 19 5.068 -1.511 -7.053 1.00 53.04 H new ATOM 0 HD21 LEU A 19 4.923 0.389 -4.648 1.00 72.30 H new ATOM 0 HD22 LEU A 19 3.504 -0.357 -5.421 1.00 72.30 H new ATOM 0 HD23 LEU A 19 3.772 -0.555 -3.673 1.00 72.30 H new ATOM 271 N LEU A 20 2.628 -5.500 -4.021 1.00 4.04 N ATOM 272 CA LEU A 20 1.534 -6.457 -4.159 1.00 21.15 C ATOM 273 C LEU A 20 0.782 -6.578 -2.837 1.00 4.13 C ATOM 274 O LEU A 20 -0.442 -6.613 -2.827 1.00 22.53 O ATOM 275 CB LEU A 20 2.118 -7.819 -4.571 1.00 44.21 C ATOM 276 CG LEU A 20 1.087 -8.953 -4.684 1.00 33.32 C ATOM 277 CD1 LEU A 20 0.361 -8.886 -6.029 1.00 22.13 C ATOM 278 CD2 LEU A 20 1.794 -10.298 -4.530 1.00 2.21 C ATOM 0 H LEU A 20 3.534 -5.883 -4.290 1.00 4.04 H new ATOM 0 HA LEU A 20 0.834 -6.117 -4.922 1.00 21.15 H new ATOM 0 HB2 LEU A 20 2.622 -7.707 -5.531 1.00 44.21 H new ATOM 0 HB3 LEU A 20 2.877 -8.108 -3.844 1.00 44.21 H new ATOM 0 HG LEU A 20 0.346 -8.842 -3.892 1.00 33.32 H new ATOM 0 HD11 LEU A 20 -0.365 -9.697 -6.091 1.00 22.13 H new ATOM 0 HD12 LEU A 20 -0.154 -7.930 -6.117 1.00 22.13 H new ATOM 0 HD13 LEU A 20 1.085 -8.984 -6.838 1.00 22.13 H new ATOM 0 HD21 LEU A 20 1.064 -11.104 -4.610 1.00 2.21 H new ATOM 0 HD22 LEU A 20 2.543 -10.407 -5.315 1.00 2.21 H new ATOM 0 HD23 LEU A 20 2.280 -10.344 -3.556 1.00 2.21 H new ATOM 289 N GLU A 21 1.522 -6.662 -1.737 1.00 52.01 N ATOM 290 CA GLU A 21 0.984 -6.856 -0.402 1.00 22.11 C ATOM 291 C GLU A 21 0.234 -5.627 0.128 1.00 74.22 C ATOM 292 O GLU A 21 -0.551 -5.746 1.067 1.00 71.00 O ATOM 293 CB GLU A 21 2.161 -7.199 0.523 1.00 21.42 C ATOM 294 CG GLU A 21 2.742 -8.600 0.268 1.00 71.34 C ATOM 295 CD GLU A 21 1.900 -9.684 0.927 1.00 61.32 C ATOM 296 OE1 GLU A 21 0.716 -9.832 0.551 1.00 10.22 O ATOM 297 OE2 GLU A 21 2.366 -10.354 1.876 1.00 25.32 O ATOM 0 H GLU A 21 2.540 -6.595 -1.753 1.00 52.01 H new ATOM 0 HA GLU A 21 0.250 -7.661 -0.434 1.00 22.11 H new ATOM 0 HB2 GLU A 21 2.948 -6.456 0.390 1.00 21.42 H new ATOM 0 HB3 GLU A 21 1.832 -7.132 1.560 1.00 21.42 H new ATOM 0 HG2 GLU A 21 2.796 -8.782 -0.805 1.00 71.34 H new ATOM 0 HG3 GLU A 21 3.761 -8.647 0.651 1.00 71.34 H new ATOM 302 N LEU A 22 0.468 -4.440 -0.435 1.00 21.12 N ATOM 303 CA LEU A 22 -0.051 -3.179 0.090 1.00 33.41 C ATOM 304 C LEU A 22 -1.452 -2.910 -0.439 1.00 30.44 C ATOM 305 O LEU A 22 -2.363 -2.566 0.321 1.00 65.34 O ATOM 306 CB LEU A 22 0.929 -2.051 -0.269 1.00 74.14 C ATOM 307 CG LEU A 22 1.546 -1.370 0.971 1.00 32.04 C ATOM 308 CD1 LEU A 22 2.253 -2.334 1.936 1.00 63.53 C ATOM 309 CD2 LEU A 22 2.547 -0.317 0.494 1.00 43.30 C ATOM 0 H LEU A 22 1.030 -4.328 -1.279 1.00 21.12 H new ATOM 0 HA LEU A 22 -0.134 -3.234 1.175 1.00 33.41 H new ATOM 0 HB2 LEU A 22 1.728 -2.456 -0.890 1.00 74.14 H new ATOM 0 HB3 LEU A 22 0.409 -1.302 -0.867 1.00 74.14 H new ATOM 0 HG LEU A 22 0.721 -0.932 1.533 1.00 32.04 H new ATOM 0 HD11 LEU A 22 2.658 -1.774 2.779 1.00 63.53 H new ATOM 0 HD12 LEU A 22 1.539 -3.073 2.301 1.00 63.53 H new ATOM 0 HD13 LEU A 22 3.065 -2.841 1.414 1.00 63.53 H new ATOM 0 HD21 LEU A 22 2.995 0.176 1.357 1.00 43.30 H new ATOM 0 HD22 LEU A 22 3.328 -0.798 -0.095 1.00 43.30 H new ATOM 0 HD23 LEU A 22 2.033 0.422 -0.120 1.00 43.30 H new ATOM 320 N GLU A 23 -1.659 -3.119 -1.738 1.00 61.40 N ATOM 321 CA GLU A 23 -2.997 -3.111 -2.306 1.00 62.03 C ATOM 322 C GLU A 23 -3.837 -4.268 -1.758 1.00 43.54 C ATOM 323 O GLU A 23 -5.058 -4.139 -1.683 1.00 23.22 O ATOM 324 CB GLU A 23 -2.944 -3.110 -3.837 1.00 24.42 C ATOM 325 CG GLU A 23 -1.986 -4.136 -4.446 1.00 22.03 C ATOM 326 CD GLU A 23 -2.222 -4.259 -5.947 1.00 20.34 C ATOM 327 OE1 GLU A 23 -1.892 -3.308 -6.704 1.00 40.10 O ATOM 328 OE2 GLU A 23 -2.763 -5.290 -6.396 1.00 52.20 O ATOM 0 H GLU A 23 -0.915 -3.295 -2.413 1.00 61.40 H new ATOM 0 HA GLU A 23 -3.490 -2.188 -2.002 1.00 62.03 H new ATOM 0 HB2 GLU A 23 -3.947 -3.297 -4.221 1.00 24.42 H new ATOM 0 HB3 GLU A 23 -2.653 -2.116 -4.176 1.00 24.42 H new ATOM 0 HG2 GLU A 23 -0.955 -3.837 -4.257 1.00 22.03 H new ATOM 0 HG3 GLU A 23 -2.130 -5.105 -3.968 1.00 22.03 H new ATOM 333 N LYS A 24 -3.201 -5.362 -1.324 1.00 32.43 N ATOM 334 CA LYS A 24 -3.867 -6.524 -0.738 1.00 22.34 C ATOM 335 C LYS A 24 -4.650 -6.176 0.530 1.00 74.11 C ATOM 336 O LYS A 24 -5.682 -6.800 0.790 1.00 5.44 O ATOM 337 CB LYS A 24 -2.820 -7.621 -0.462 1.00 43.34 C ATOM 338 CG LYS A 24 -3.379 -9.042 -0.635 1.00 60.41 C ATOM 339 CD LYS A 24 -2.480 -9.965 -1.472 1.00 44.22 C ATOM 340 CE LYS A 24 -2.368 -9.466 -2.920 1.00 22.11 C ATOM 341 NZ LYS A 24 -1.815 -10.486 -3.834 1.00 3.44 N ATOM 0 H LYS A 24 -2.187 -5.463 -1.373 1.00 32.43 H new ATOM 0 HA LYS A 24 -4.602 -6.890 -1.454 1.00 22.34 H new ATOM 0 HB2 LYS A 24 -1.973 -7.485 -1.135 1.00 43.34 H new ATOM 0 HB3 LYS A 24 -2.441 -7.507 0.554 1.00 43.34 H new ATOM 0 HG2 LYS A 24 -3.525 -9.487 0.349 1.00 60.41 H new ATOM 0 HG3 LYS A 24 -4.360 -8.981 -1.106 1.00 60.41 H new ATOM 0 HD2 LYS A 24 -1.488 -10.015 -1.024 1.00 44.22 H new ATOM 0 HD3 LYS A 24 -2.885 -10.977 -1.463 1.00 44.22 H new ATOM 0 HE2 LYS A 24 -3.354 -9.164 -3.273 1.00 22.11 H new ATOM 0 HE3 LYS A 24 -1.735 -8.579 -2.946 1.00 22.11 H new ATOM 0 HZ1 LYS A 24 -1.963 -10.186 -4.819 1.00 3.44 H new ATOM 0 HZ2 LYS A 24 -0.796 -10.597 -3.655 1.00 3.44 H new ATOM 0 HZ3 LYS A 24 -2.296 -11.394 -3.672 1.00 3.44 H new ATOM 351 N GLU A 25 -4.211 -5.177 1.300 1.00 44.53 N ATOM 352 CA GLU A 25 -4.964 -4.643 2.434 1.00 32.43 C ATOM 353 C GLU A 25 -6.001 -3.631 1.952 1.00 51.42 C ATOM 354 O GLU A 25 -7.166 -3.701 2.346 1.00 62.42 O ATOM 355 CB GLU A 25 -4.009 -3.981 3.438 1.00 10.10 C ATOM 356 CG GLU A 25 -3.331 -5.008 4.358 1.00 65.12 C ATOM 357 CD GLU A 25 -4.267 -5.703 5.354 1.00 54.25 C ATOM 358 OE1 GLU A 25 -5.401 -5.242 5.581 1.00 23.01 O ATOM 359 OE2 GLU A 25 -3.876 -6.726 5.965 1.00 62.32 O ATOM 0 H GLU A 25 -3.315 -4.713 1.151 1.00 44.53 H new ATOM 0 HA GLU A 25 -5.481 -5.466 2.928 1.00 32.43 H new ATOM 0 HB2 GLU A 25 -3.246 -3.421 2.897 1.00 10.10 H new ATOM 0 HB3 GLU A 25 -4.562 -3.263 4.043 1.00 10.10 H new ATOM 0 HG2 GLU A 25 -2.854 -5.768 3.740 1.00 65.12 H new ATOM 0 HG3 GLU A 25 -2.539 -4.507 4.915 1.00 65.12 H new ATOM 364 N PHE A 26 -5.608 -2.683 1.092 1.00 43.43 N ATOM 365 CA PHE A 26 -6.486 -1.581 0.686 1.00 13.32 C ATOM 366 C PHE A 26 -7.675 -2.060 -0.159 1.00 14.53 C ATOM 367 O PHE A 26 -8.672 -1.344 -0.309 1.00 13.41 O ATOM 368 CB PHE A 26 -5.682 -0.502 -0.045 1.00 74.43 C ATOM 369 CG PHE A 26 -6.423 0.822 -0.161 1.00 70.24 C ATOM 370 CD1 PHE A 26 -6.731 1.560 0.998 1.00 4.53 C ATOM 371 CD2 PHE A 26 -6.821 1.316 -1.417 1.00 22.24 C ATOM 372 CE1 PHE A 26 -7.418 2.782 0.907 1.00 61.05 C ATOM 373 CE2 PHE A 26 -7.517 2.534 -1.505 1.00 72.42 C ATOM 374 CZ PHE A 26 -7.817 3.271 -0.348 1.00 24.03 C ATOM 0 H PHE A 26 -4.683 -2.658 0.663 1.00 43.43 H new ATOM 0 HA PHE A 26 -6.908 -1.148 1.593 1.00 13.32 H new ATOM 0 HB2 PHE A 26 -4.741 -0.340 0.481 1.00 74.43 H new ATOM 0 HB3 PHE A 26 -5.431 -0.859 -1.044 1.00 74.43 H new ATOM 0 HD1 PHE A 26 -6.436 1.183 1.966 1.00 4.53 H new ATOM 0 HD2 PHE A 26 -6.592 0.759 -2.314 1.00 22.24 H new ATOM 0 HE1 PHE A 26 -7.639 3.345 1.802 1.00 61.05 H new ATOM 0 HE2 PHE A 26 -7.824 2.906 -2.471 1.00 72.42 H new ATOM 0 HZ PHE A 26 -8.351 4.207 -0.422 1.00 24.03 H new ATOM 383 N HIS A 27 -7.594 -3.295 -0.656 1.00 64.44 N ATOM 384 CA HIS A 27 -8.680 -4.084 -1.208 1.00 24.01 C ATOM 385 C HIS A 27 -9.906 -4.111 -0.291 1.00 75.25 C ATOM 386 O HIS A 27 -11.013 -4.287 -0.794 1.00 20.34 O ATOM 387 CB HIS A 27 -8.164 -5.504 -1.487 1.00 22.24 C ATOM 388 CG HIS A 27 -8.408 -5.969 -2.898 1.00 22.02 C ATOM 389 ND1 HIS A 27 -7.517 -5.884 -3.949 1.00 23.32 N ATOM 390 CD2 HIS A 27 -9.529 -6.618 -3.342 1.00 74.00 C ATOM 391 CE1 HIS A 27 -8.096 -6.478 -5.009 1.00 41.30 C ATOM 392 NE2 HIS A 27 -9.296 -6.974 -4.672 1.00 1.24 N ATOM 0 H HIS A 27 -6.707 -3.798 -0.682 1.00 64.44 H new ATOM 0 HA HIS A 27 -9.010 -3.620 -2.137 1.00 24.01 H new ATOM 0 HB2 HIS A 27 -7.094 -5.539 -1.282 1.00 22.24 H new ATOM 0 HB3 HIS A 27 -8.644 -6.198 -0.797 1.00 22.24 H new ATOM 0 HD2 HIS A 27 -10.424 -6.817 -2.771 1.00 74.00 H new ATOM 0 HE1 HIS A 27 -7.656 -6.546 -5.993 1.00 41.30 H new ATOM 0 HE2 HIS A 27 -9.921 -7.510 -5.274 1.00 1.24 H new ATOM 399 N CYS A 28 -9.745 -3.877 1.018 1.00 5.24 N ATOM 400 CA CYS A 28 -10.856 -3.531 1.887 1.00 25.23 C ATOM 401 C CYS A 28 -10.496 -2.409 2.866 1.00 52.23 C ATOM 402 O CYS A 28 -11.227 -1.422 2.895 1.00 13.23 O ATOM 403 CB CYS A 28 -11.392 -4.773 2.600 1.00 32.00 C ATOM 404 SG CYS A 28 -13.134 -4.479 3.006 1.00 12.33 S ATOM 0 H CYS A 28 -8.844 -3.924 1.493 1.00 5.24 H new ATOM 0 HA CYS A 28 -11.658 -3.138 1.261 1.00 25.23 H new ATOM 0 HB2 CYS A 28 -11.293 -5.651 1.962 1.00 32.00 H new ATOM 0 HB3 CYS A 28 -10.818 -4.970 3.505 1.00 32.00 H new ATOM 0 HG CYS A 28 -13.620 -5.521 3.613 1.00 12.33 H new ATOM 409 N LYS A 29 -9.409 -2.518 3.644 1.00 61.03 N ATOM 410 CA LYS A 29 -9.124 -1.606 4.757 1.00 32.01 C ATOM 411 C LYS A 29 -8.852 -0.191 4.258 1.00 63.25 C ATOM 412 O LYS A 29 -7.751 0.104 3.787 1.00 53.34 O ATOM 413 CB LYS A 29 -7.957 -2.111 5.623 1.00 51.54 C ATOM 414 CG LYS A 29 -8.224 -3.477 6.275 1.00 42.13 C ATOM 415 CD LYS A 29 -7.360 -3.665 7.528 1.00 62.43 C ATOM 416 CE LYS A 29 -7.495 -5.085 8.091 1.00 22.01 C ATOM 417 NZ LYS A 29 -6.179 -5.748 8.172 1.00 13.53 N ATOM 0 H LYS A 29 -8.703 -3.243 3.517 1.00 61.03 H new ATOM 0 HA LYS A 29 -10.015 -1.580 5.385 1.00 32.01 H new ATOM 0 HB2 LYS A 29 -7.061 -2.181 5.006 1.00 51.54 H new ATOM 0 HB3 LYS A 29 -7.751 -1.379 6.404 1.00 51.54 H new ATOM 0 HG2 LYS A 29 -9.278 -3.558 6.540 1.00 42.13 H new ATOM 0 HG3 LYS A 29 -8.013 -4.273 5.560 1.00 42.13 H new ATOM 0 HD2 LYS A 29 -6.316 -3.465 7.286 1.00 62.43 H new ATOM 0 HD3 LYS A 29 -7.655 -2.941 8.288 1.00 62.43 H new ATOM 0 HE2 LYS A 29 -7.948 -5.046 9.081 1.00 22.01 H new ATOM 0 HE3 LYS A 29 -8.163 -5.669 7.458 1.00 22.01 H new ATOM 0 HZ1 LYS A 29 -6.290 -6.688 8.603 1.00 13.53 H new ATOM 0 HZ2 LYS A 29 -5.782 -5.850 7.216 1.00 13.53 H new ATOM 0 HZ3 LYS A 29 -5.536 -5.174 8.754 1.00 13.53 H new ATOM 427 N LYS A 30 -9.834 0.707 4.356 1.00 32.00 N ATOM 428 CA LYS A 30 -9.704 2.082 3.876 1.00 52.24 C ATOM 429 C LYS A 30 -8.871 2.951 4.812 1.00 33.13 C ATOM 430 O LYS A 30 -8.428 4.023 4.388 1.00 3.24 O ATOM 431 CB LYS A 30 -11.089 2.703 3.616 1.00 42.54 C ATOM 432 CG LYS A 30 -11.912 1.972 2.539 1.00 71.24 C ATOM 433 CD LYS A 30 -11.226 1.934 1.161 1.00 72.11 C ATOM 434 CE LYS A 30 -12.040 1.126 0.149 1.00 50.11 C ATOM 435 NZ LYS A 30 -11.921 -0.333 0.348 1.00 33.13 N ATOM 0 H LYS A 30 -10.742 0.500 4.771 1.00 32.00 H new ATOM 0 HA LYS A 30 -9.163 2.042 2.930 1.00 52.24 H new ATOM 0 HB2 LYS A 30 -11.654 2.709 4.548 1.00 42.54 H new ATOM 0 HB3 LYS A 30 -10.959 3.743 3.316 1.00 42.54 H new ATOM 0 HG2 LYS A 30 -12.102 0.951 2.869 1.00 71.24 H new ATOM 0 HG3 LYS A 30 -12.881 2.461 2.440 1.00 71.24 H new ATOM 0 HD2 LYS A 30 -11.092 2.951 0.792 1.00 72.11 H new ATOM 0 HD3 LYS A 30 -10.232 1.498 1.261 1.00 72.11 H new ATOM 0 HE2 LYS A 30 -13.089 1.413 0.222 1.00 50.11 H new ATOM 0 HE3 LYS A 30 -11.710 1.378 -0.859 1.00 50.11 H new ATOM 0 HZ1 LYS A 30 -12.832 -0.788 0.135 1.00 33.13 H new ATOM 0 HZ2 LYS A 30 -11.189 -0.711 -0.286 1.00 33.13 H new ATOM 0 HZ3 LYS A 30 -11.659 -0.528 1.335 1.00 33.13 H new ATOM 445 N TYR A 31 -8.623 2.545 6.055 1.00 54.51 N ATOM 446 CA TYR A 31 -7.634 3.159 6.935 1.00 44.54 C ATOM 447 C TYR A 31 -7.116 2.095 7.898 1.00 50.55 C ATOM 448 O TYR A 31 -7.656 0.994 7.936 1.00 52.45 O ATOM 449 CB TYR A 31 -8.191 4.404 7.656 1.00 25.00 C ATOM 450 CG TYR A 31 -9.597 4.331 8.228 1.00 43.12 C ATOM 451 CD1 TYR A 31 -10.695 4.515 7.369 1.00 45.21 C ATOM 452 CD2 TYR A 31 -9.817 4.191 9.612 1.00 10.12 C ATOM 453 CE1 TYR A 31 -11.999 4.591 7.877 1.00 21.40 C ATOM 454 CE2 TYR A 31 -11.122 4.279 10.134 1.00 14.41 C ATOM 455 CZ TYR A 31 -12.219 4.504 9.269 1.00 61.24 C ATOM 456 OH TYR A 31 -13.491 4.604 9.744 1.00 43.34 O ATOM 0 H TYR A 31 -9.115 1.763 6.487 1.00 54.51 H new ATOM 0 HA TYR A 31 -6.798 3.531 6.343 1.00 44.54 H new ATOM 0 HB2 TYR A 31 -7.511 4.648 8.472 1.00 25.00 H new ATOM 0 HB3 TYR A 31 -8.159 5.238 6.954 1.00 25.00 H new ATOM 0 HD1 TYR A 31 -10.531 4.599 6.305 1.00 45.21 H new ATOM 0 HD2 TYR A 31 -8.983 4.016 10.275 1.00 10.12 H new ATOM 0 HE1 TYR A 31 -12.835 4.716 7.204 1.00 21.40 H new ATOM 0 HE2 TYR A 31 -11.286 4.175 11.196 1.00 14.41 H new ATOM 0 HH TYR A 31 -13.483 4.524 10.721 1.00 43.34 H new ATOM 465 N LEU A 32 -6.053 2.420 8.641 1.00 44.15 N ATOM 466 CA LEU A 32 -5.444 1.544 9.636 1.00 45.33 C ATOM 467 C LEU A 32 -5.213 2.345 10.906 1.00 2.20 C ATOM 468 O LEU A 32 -4.929 3.554 10.850 1.00 64.32 O ATOM 469 CB LEU A 32 -4.089 0.984 9.159 1.00 25.02 C ATOM 470 CG LEU A 32 -4.095 0.160 7.858 1.00 3.13 C ATOM 471 CD1 LEU A 32 -2.651 -0.191 7.492 1.00 3.44 C ATOM 472 CD2 LEU A 32 -4.908 -1.130 7.952 1.00 70.11 C ATOM 0 H LEU A 32 -5.584 3.322 8.562 1.00 44.15 H new ATOM 0 HA LEU A 32 -6.118 0.704 9.807 1.00 45.33 H new ATOM 0 HB2 LEU A 32 -3.403 1.821 9.027 1.00 25.02 H new ATOM 0 HB3 LEU A 32 -3.681 0.360 9.954 1.00 25.02 H new ATOM 0 HG LEU A 32 -4.570 0.776 7.095 1.00 3.13 H new ATOM 0 HD11 LEU A 32 -2.641 -0.775 6.572 1.00 3.44 H new ATOM 0 HD12 LEU A 32 -2.079 0.726 7.346 1.00 3.44 H new ATOM 0 HD13 LEU A 32 -2.203 -0.774 8.297 1.00 3.44 H new ATOM 0 HD21 LEU A 32 -4.866 -1.657 6.999 1.00 70.11 H new ATOM 0 HD22 LEU A 32 -4.494 -1.765 8.736 1.00 70.11 H new ATOM 0 HD23 LEU A 32 -5.945 -0.890 8.189 1.00 70.11 H new ATOM 483 N SER A 33 -5.313 1.672 12.043 1.00 21.41 N ATOM 484 CA SER A 33 -4.967 2.200 13.346 1.00 13.30 C ATOM 485 C SER A 33 -3.448 2.188 13.562 1.00 72.33 C ATOM 486 O SER A 33 -2.693 1.744 12.693 1.00 1.12 O ATOM 487 CB SER A 33 -5.762 1.405 14.380 1.00 45.52 C ATOM 488 OG SER A 33 -5.275 0.091 14.514 1.00 61.01 O ATOM 0 H SER A 33 -5.650 0.710 12.080 1.00 21.41 H new ATOM 0 HA SER A 33 -5.238 3.251 13.443 1.00 13.30 H new ATOM 0 HB2 SER A 33 -5.713 1.911 15.344 1.00 45.52 H new ATOM 0 HB3 SER A 33 -6.812 1.376 14.088 1.00 45.52 H new ATOM 0 HG SER A 33 -5.897 -0.434 15.060 1.00 61.01 H new ATOM 493 N LEU A 34 -2.993 2.690 14.715 1.00 5.42 N ATOM 494 CA LEU A 34 -1.593 2.615 15.130 1.00 51.11 C ATOM 495 C LEU A 34 -1.123 1.162 15.159 1.00 25.30 C ATOM 496 O LEU A 34 -0.091 0.842 14.564 1.00 2.41 O ATOM 497 CB LEU A 34 -1.408 3.288 16.503 1.00 44.54 C ATOM 498 CG LEU A 34 -1.116 4.798 16.433 1.00 70.35 C ATOM 499 CD1 LEU A 34 -1.462 5.476 17.762 1.00 23.04 C ATOM 500 CD2 LEU A 34 0.358 5.067 16.109 1.00 13.21 C ATOM 0 H LEU A 34 -3.593 3.163 15.390 1.00 5.42 H new ATOM 0 HA LEU A 34 -0.980 3.151 14.405 1.00 51.11 H new ATOM 0 HB2 LEU A 34 -2.309 3.131 17.096 1.00 44.54 H new ATOM 0 HB3 LEU A 34 -0.590 2.795 17.029 1.00 44.54 H new ATOM 0 HG LEU A 34 -1.736 5.210 15.636 1.00 70.35 H new ATOM 0 HD11 LEU A 34 -1.249 6.543 17.693 1.00 23.04 H new ATOM 0 HD12 LEU A 34 -2.520 5.331 17.980 1.00 23.04 H new ATOM 0 HD13 LEU A 34 -0.864 5.038 18.561 1.00 23.04 H new ATOM 0 HD21 LEU A 34 0.531 6.142 16.067 1.00 13.21 H new ATOM 0 HD22 LEU A 34 0.987 4.629 16.884 1.00 13.21 H new ATOM 0 HD23 LEU A 34 0.606 4.622 15.146 1.00 13.21 H new ATOM 511 N THR A 35 -1.883 0.290 15.821 1.00 62.11 N ATOM 512 CA THR A 35 -1.537 -1.118 15.957 1.00 31.41 C ATOM 513 C THR A 35 -1.564 -1.777 14.575 1.00 64.34 C ATOM 514 O THR A 35 -0.560 -2.354 14.160 1.00 41.23 O ATOM 515 CB THR A 35 -2.407 -1.793 17.043 1.00 5.32 C ATOM 516 OG1 THR A 35 -1.749 -2.913 17.588 1.00 33.24 O ATOM 517 CG2 THR A 35 -3.800 -2.273 16.637 1.00 34.40 C ATOM 0 H THR A 35 -2.758 0.545 16.278 1.00 62.11 H new ATOM 0 HA THR A 35 -0.518 -1.243 16.323 1.00 31.41 H new ATOM 0 HB THR A 35 -2.551 -0.975 17.749 1.00 5.32 H new ATOM 0 HG1 THR A 35 -2.316 -3.324 18.274 1.00 33.24 H new ATOM 0 HG21 THR A 35 -4.294 -2.725 17.497 1.00 34.40 H new ATOM 0 HG22 THR A 35 -4.388 -1.426 16.284 1.00 34.40 H new ATOM 0 HG23 THR A 35 -3.712 -3.011 15.840 1.00 34.40 H new ATOM 525 N GLU A 36 -2.663 -1.641 13.822 1.00 31.20 N ATOM 526 CA GLU A 36 -2.854 -2.335 12.550 1.00 32.03 C ATOM 527 C GLU A 36 -1.751 -1.960 11.566 1.00 13.52 C ATOM 528 O GLU A 36 -1.255 -2.820 10.845 1.00 64.04 O ATOM 529 CB GLU A 36 -4.204 -1.942 11.939 1.00 24.43 C ATOM 530 CG GLU A 36 -5.421 -2.506 12.681 1.00 65.02 C ATOM 531 CD GLU A 36 -6.729 -1.784 12.313 1.00 50.51 C ATOM 532 OE1 GLU A 36 -6.696 -0.775 11.569 1.00 25.43 O ATOM 533 OE2 GLU A 36 -7.801 -2.190 12.809 1.00 71.34 O ATOM 0 H GLU A 36 -3.447 -1.042 14.083 1.00 31.20 H new ATOM 0 HA GLU A 36 -2.825 -3.408 12.740 1.00 32.03 H new ATOM 0 HB2 GLU A 36 -4.277 -0.855 11.919 1.00 24.43 H new ATOM 0 HB3 GLU A 36 -4.234 -2.283 10.904 1.00 24.43 H new ATOM 0 HG2 GLU A 36 -5.520 -3.567 12.453 1.00 65.02 H new ATOM 0 HG3 GLU A 36 -5.256 -2.425 13.755 1.00 65.02 H new ATOM 538 N ARG A 37 -1.360 -0.683 11.532 1.00 33.12 N ATOM 539 CA ARG A 37 -0.306 -0.214 10.651 1.00 22.34 C ATOM 540 C ARG A 37 1.030 -0.832 11.057 1.00 2.51 C ATOM 541 O ARG A 37 1.783 -1.223 10.167 1.00 23.13 O ATOM 542 CB ARG A 37 -0.325 1.320 10.640 1.00 34.33 C ATOM 543 CG ARG A 37 0.762 1.900 9.733 1.00 65.35 C ATOM 544 CD ARG A 37 0.623 3.396 9.419 1.00 1.43 C ATOM 545 NE ARG A 37 0.157 4.228 10.548 1.00 53.44 N ATOM 546 CZ ARG A 37 0.777 4.391 11.724 1.00 33.03 C ATOM 547 NH1 ARG A 37 1.803 3.623 12.032 1.00 42.15 N ATOM 548 NH2 ARG A 37 0.397 5.334 12.574 1.00 21.13 N ATOM 0 H ARG A 37 -1.769 0.047 12.116 1.00 33.12 H new ATOM 0 HA ARG A 37 -0.468 -0.537 9.623 1.00 22.34 H new ATOM 0 HB2 ARG A 37 -1.302 1.668 10.304 1.00 34.33 H new ATOM 0 HB3 ARG A 37 -0.186 1.692 11.655 1.00 34.33 H new ATOM 0 HG2 ARG A 37 1.732 1.732 10.202 1.00 65.35 H new ATOM 0 HG3 ARG A 37 0.762 1.347 8.794 1.00 65.35 H new ATOM 0 HD2 ARG A 37 1.589 3.773 9.083 1.00 1.43 H new ATOM 0 HD3 ARG A 37 -0.072 3.515 8.588 1.00 1.43 H new ATOM 0 HE ARG A 37 -0.723 4.727 10.419 1.00 53.44 H new ATOM 0 HH11 ARG A 37 2.121 2.909 11.376 1.00 42.15 H new ATOM 0 HH12 ARG A 37 2.279 3.742 12.926 1.00 42.15 H new ATOM 0 HH21 ARG A 37 -0.380 5.951 12.337 1.00 21.13 H new ATOM 0 HH22 ARG A 37 0.881 5.443 13.465 1.00 21.13 H new ATOM 559 N SER A 38 1.340 -0.953 12.347 1.00 22.40 N ATOM 560 CA SER A 38 2.488 -1.728 12.804 1.00 52.34 C ATOM 561 C SER A 38 2.392 -3.159 12.333 1.00 74.14 C ATOM 562 O SER A 38 3.408 -3.679 11.873 1.00 44.02 O ATOM 563 CB SER A 38 2.610 -1.613 14.328 1.00 63.42 C ATOM 564 OG SER A 38 3.940 -1.295 14.692 1.00 30.13 O ATOM 0 H SER A 38 0.805 -0.519 13.099 1.00 22.40 H new ATOM 0 HA SER A 38 3.401 -1.323 12.367 1.00 52.34 H new ATOM 0 HB2 SER A 38 1.931 -0.844 14.697 1.00 63.42 H new ATOM 0 HB3 SER A 38 2.312 -2.552 14.795 1.00 63.42 H new ATOM 0 HG SER A 38 4.242 -0.516 14.180 1.00 30.13 H new ATOM 569 N GLN A 39 1.206 -3.759 12.337 1.00 5.30 N ATOM 570 CA GLN A 39 1.110 -5.149 11.958 1.00 24.03 C ATOM 571 C GLN A 39 1.331 -5.359 10.447 1.00 53.11 C ATOM 572 O GLN A 39 1.834 -6.390 10.006 1.00 22.20 O ATOM 573 CB GLN A 39 -0.214 -5.749 12.404 1.00 74.15 C ATOM 574 CG GLN A 39 -0.439 -5.647 13.928 1.00 10.13 C ATOM 575 CD GLN A 39 -1.111 -6.849 14.591 1.00 43.15 C ATOM 576 OE1 GLN A 39 -0.743 -7.260 15.685 1.00 33.33 O ATOM 577 NE2 GLN A 39 -2.173 -7.401 14.040 1.00 23.34 N ATOM 0 H GLN A 39 0.325 -3.313 12.592 1.00 5.30 H new ATOM 0 HA GLN A 39 1.914 -5.674 12.474 1.00 24.03 H new ATOM 0 HB2 GLN A 39 -1.029 -5.242 11.887 1.00 74.15 H new ATOM 0 HB3 GLN A 39 -0.251 -6.797 12.106 1.00 74.15 H new ATOM 0 HG2 GLN A 39 0.527 -5.486 14.407 1.00 10.13 H new ATOM 0 HG3 GLN A 39 -1.044 -4.763 14.127 1.00 10.13 H new ATOM 0 HE21 GLN A 39 -2.501 -7.078 13.130 1.00 23.34 H new ATOM 0 HE22 GLN A 39 -2.667 -8.151 14.524 1.00 23.34 H new ATOM 584 N ILE A 40 1.017 -4.344 9.652 1.00 65.22 N ATOM 585 CA ILE A 40 1.464 -4.290 8.256 1.00 10.50 C ATOM 586 C ILE A 40 2.987 -4.106 8.174 1.00 74.51 C ATOM 587 O ILE A 40 3.650 -4.812 7.417 1.00 43.01 O ATOM 588 CB ILE A 40 0.728 -3.190 7.463 1.00 51.44 C ATOM 589 CG1 ILE A 40 -0.805 -3.347 7.480 1.00 32.21 C ATOM 590 CG2 ILE A 40 1.225 -3.150 6.004 1.00 74.22 C ATOM 591 CD1 ILE A 40 -1.359 -4.767 7.361 1.00 71.41 C ATOM 0 H ILE A 40 0.455 -3.545 9.945 1.00 65.22 H new ATOM 0 HA ILE A 40 1.212 -5.245 7.795 1.00 10.50 H new ATOM 0 HB ILE A 40 0.961 -2.251 7.965 1.00 51.44 H new ATOM 0 HG12 ILE A 40 -1.180 -2.914 8.408 1.00 32.21 H new ATOM 0 HG13 ILE A 40 -1.215 -2.754 6.663 1.00 32.21 H new ATOM 0 HG21 ILE A 40 0.695 -2.368 5.460 1.00 74.22 H new ATOM 0 HG22 ILE A 40 2.295 -2.940 5.990 1.00 74.22 H new ATOM 0 HG23 ILE A 40 1.038 -4.113 5.529 1.00 74.22 H new ATOM 0 HD11 ILE A 40 -2.448 -4.736 7.386 1.00 71.41 H new ATOM 0 HD12 ILE A 40 -1.030 -5.208 6.420 1.00 71.41 H new ATOM 0 HD13 ILE A 40 -0.994 -5.371 8.192 1.00 71.41 H new ATOM 602 N ALA A 41 3.542 -3.109 8.876 1.00 13.03 N ATOM 603 CA ALA A 41 4.958 -2.762 8.762 1.00 14.24 C ATOM 604 C ALA A 41 5.821 -3.978 9.054 1.00 11.42 C ATOM 605 O ALA A 41 6.665 -4.340 8.236 1.00 30.42 O ATOM 606 CB ALA A 41 5.360 -1.602 9.684 1.00 41.12 C ATOM 0 H ALA A 41 3.023 -2.526 9.533 1.00 13.03 H new ATOM 0 HA ALA A 41 5.121 -2.430 7.737 1.00 14.24 H new ATOM 0 HB1 ALA A 41 6.421 -1.388 9.558 1.00 41.12 H new ATOM 0 HB2 ALA A 41 4.778 -0.716 9.429 1.00 41.12 H new ATOM 0 HB3 ALA A 41 5.167 -1.877 10.721 1.00 41.12 H new ATOM 612 N HIS A 42 5.607 -4.579 10.226 1.00 13.22 N ATOM 613 CA HIS A 42 6.442 -5.655 10.725 1.00 70.34 C ATOM 614 C HIS A 42 6.419 -6.820 9.730 1.00 34.55 C ATOM 615 O HIS A 42 7.482 -7.313 9.345 1.00 1.03 O ATOM 616 CB HIS A 42 6.045 -6.026 12.168 1.00 30.20 C ATOM 617 CG HIS A 42 5.104 -7.164 12.328 1.00 74.41 C ATOM 618 ND1 HIS A 42 5.202 -8.290 13.111 1.00 13.22 N ATOM 619 CD2 HIS A 42 3.809 -7.000 12.000 1.00 63.14 C ATOM 620 CE1 HIS A 42 3.972 -8.822 13.205 1.00 51.45 C ATOM 621 NE2 HIS A 42 3.080 -8.070 12.529 1.00 24.53 N ATOM 0 H HIS A 42 4.844 -4.326 10.853 1.00 13.22 H new ATOM 0 HA HIS A 42 7.482 -5.337 10.796 1.00 70.34 H new ATOM 0 HB2 HIS A 42 6.955 -6.256 12.723 1.00 30.20 H new ATOM 0 HB3 HIS A 42 5.600 -5.148 12.635 1.00 30.20 H new ATOM 0 HD2 HIS A 42 3.402 -6.181 11.426 1.00 63.14 H new ATOM 0 HE1 HIS A 42 3.731 -9.725 13.746 1.00 51.45 H new ATOM 0 HE2 HIS A 42 2.081 -8.245 12.425 1.00 24.53 H new ATOM 628 N ALA A 43 5.215 -7.159 9.236 1.00 1.43 N ATOM 629 CA ALA A 43 4.982 -8.270 8.324 1.00 50.11 C ATOM 630 C ALA A 43 5.761 -8.132 7.022 1.00 73.54 C ATOM 631 O ALA A 43 6.070 -9.138 6.378 1.00 44.24 O ATOM 632 CB ALA A 43 3.488 -8.355 8.004 1.00 73.54 C ATOM 0 H ALA A 43 4.363 -6.650 9.471 1.00 1.43 H new ATOM 0 HA ALA A 43 5.328 -9.176 8.821 1.00 50.11 H new ATOM 0 HB1 ALA A 43 3.309 -9.186 7.321 1.00 73.54 H new ATOM 0 HB2 ALA A 43 2.927 -8.515 8.925 1.00 73.54 H new ATOM 0 HB3 ALA A 43 3.162 -7.425 7.538 1.00 73.54 H new ATOM 638 N LEU A 44 6.075 -6.904 6.614 1.00 11.35 N ATOM 639 CA LEU A 44 6.665 -6.592 5.325 1.00 41.00 C ATOM 640 C LEU A 44 8.054 -5.966 5.465 1.00 30.44 C ATOM 641 O LEU A 44 8.511 -5.349 4.504 1.00 43.00 O ATOM 642 CB LEU A 44 5.686 -5.693 4.547 1.00 45.11 C ATOM 643 CG LEU A 44 4.351 -6.354 4.168 1.00 62.51 C ATOM 644 CD1 LEU A 44 3.457 -5.321 3.475 1.00 21.43 C ATOM 645 CD2 LEU A 44 4.555 -7.553 3.231 1.00 74.12 C ATOM 0 H LEU A 44 5.919 -6.078 7.192 1.00 11.35 H new ATOM 0 HA LEU A 44 6.824 -7.513 4.764 1.00 41.00 H new ATOM 0 HB2 LEU A 44 5.477 -4.807 5.146 1.00 45.11 H new ATOM 0 HB3 LEU A 44 6.177 -5.353 3.635 1.00 45.11 H new ATOM 0 HG LEU A 44 3.883 -6.717 5.083 1.00 62.51 H new ATOM 0 HD11 LEU A 44 2.508 -5.784 3.204 1.00 21.43 H new ATOM 0 HD12 LEU A 44 3.273 -4.487 4.152 1.00 21.43 H new ATOM 0 HD13 LEU A 44 3.953 -4.956 2.576 1.00 21.43 H new ATOM 0 HD21 LEU A 44 3.588 -7.992 2.987 1.00 74.12 H new ATOM 0 HD22 LEU A 44 5.044 -7.220 2.316 1.00 74.12 H new ATOM 0 HD23 LEU A 44 5.178 -8.299 3.725 1.00 74.12 H new ATOM 656 N LYS A 45 8.724 -6.075 6.625 1.00 32.24 N ATOM 657 CA LYS A 45 10.001 -5.407 6.940 1.00 21.22 C ATOM 658 C LYS A 45 9.970 -3.876 6.761 1.00 24.32 C ATOM 659 O LYS A 45 11.018 -3.222 6.714 1.00 24.32 O ATOM 660 CB LYS A 45 11.212 -6.110 6.271 1.00 62.11 C ATOM 661 CG LYS A 45 11.359 -6.024 4.740 1.00 13.14 C ATOM 662 CD LYS A 45 12.638 -6.681 4.201 1.00 45.32 C ATOM 663 CE LYS A 45 12.477 -8.185 3.904 1.00 54.42 C ATOM 664 NZ LYS A 45 11.680 -8.483 2.689 1.00 70.23 N ATOM 0 H LYS A 45 8.381 -6.649 7.395 1.00 32.24 H new ATOM 0 HA LYS A 45 10.150 -5.530 8.013 1.00 21.22 H new ATOM 0 HB2 LYS A 45 12.119 -5.700 6.715 1.00 62.11 H new ATOM 0 HB3 LYS A 45 11.173 -7.165 6.541 1.00 62.11 H new ATOM 0 HG2 LYS A 45 10.495 -6.498 4.274 1.00 13.14 H new ATOM 0 HG3 LYS A 45 11.347 -4.976 4.442 1.00 13.14 H new ATOM 0 HD2 LYS A 45 12.943 -6.169 3.289 1.00 45.32 H new ATOM 0 HD3 LYS A 45 13.440 -6.546 4.926 1.00 45.32 H new ATOM 0 HE2 LYS A 45 13.466 -8.630 3.794 1.00 54.42 H new ATOM 0 HE3 LYS A 45 12.005 -8.665 4.761 1.00 54.42 H new ATOM 0 HZ1 LYS A 45 11.618 -9.513 2.558 1.00 70.23 H new ATOM 0 HZ2 LYS A 45 10.723 -8.089 2.796 1.00 70.23 H new ATOM 0 HZ3 LYS A 45 12.139 -8.056 1.859 1.00 70.23 H new ATOM 674 N LEU A 46 8.780 -3.288 6.619 1.00 33.43 N ATOM 675 CA LEU A 46 8.585 -1.893 6.269 1.00 23.35 C ATOM 676 C LEU A 46 8.632 -1.018 7.508 1.00 34.23 C ATOM 677 O LEU A 46 8.477 -1.434 8.659 1.00 34.43 O ATOM 678 CB LEU A 46 7.231 -1.683 5.569 1.00 72.13 C ATOM 679 CG LEU A 46 7.145 -2.258 4.155 1.00 25.52 C ATOM 680 CD1 LEU A 46 5.689 -2.264 3.696 1.00 10.03 C ATOM 681 CD2 LEU A 46 8.012 -1.507 3.142 1.00 2.32 C ATOM 0 H LEU A 46 7.903 -3.792 6.750 1.00 33.43 H new ATOM 0 HA LEU A 46 9.390 -1.613 5.590 1.00 23.35 H new ATOM 0 HB2 LEU A 46 6.449 -2.135 6.178 1.00 72.13 H new ATOM 0 HB3 LEU A 46 7.022 -0.614 5.525 1.00 72.13 H new ATOM 0 HG LEU A 46 7.535 -3.275 4.199 1.00 25.52 H new ATOM 0 HD11 LEU A 46 5.627 -2.674 2.688 1.00 10.03 H new ATOM 0 HD12 LEU A 46 5.096 -2.878 4.374 1.00 10.03 H new ATOM 0 HD13 LEU A 46 5.303 -1.245 3.698 1.00 10.03 H new ATOM 0 HD21 LEU A 46 7.904 -1.967 2.160 1.00 2.32 H new ATOM 0 HD22 LEU A 46 7.694 -0.466 3.092 1.00 2.32 H new ATOM 0 HD23 LEU A 46 9.056 -1.553 3.452 1.00 2.32 H new ATOM 692 N SER A 47 8.766 0.263 7.217 1.00 53.00 N ATOM 693 CA SER A 47 8.659 1.329 8.181 1.00 5.34 C ATOM 694 C SER A 47 7.228 1.843 8.184 1.00 13.02 C ATOM 695 O SER A 47 6.580 1.876 7.136 1.00 74.34 O ATOM 696 CB SER A 47 9.574 2.463 7.754 1.00 2.12 C ATOM 697 OG SER A 47 10.862 2.034 7.342 1.00 11.02 O ATOM 0 H SER A 47 8.958 0.595 6.272 1.00 53.00 H new ATOM 0 HA SER A 47 8.935 0.968 9.172 1.00 5.34 H new ATOM 0 HB2 SER A 47 9.104 3.009 6.936 1.00 2.12 H new ATOM 0 HB3 SER A 47 9.682 3.162 8.583 1.00 2.12 H new ATOM 0 HG SER A 47 11.397 2.812 7.080 1.00 11.02 H new ATOM 702 N GLU A 48 6.773 2.367 9.315 1.00 53.44 N ATOM 703 CA GLU A 48 5.450 2.970 9.423 1.00 33.40 C ATOM 704 C GLU A 48 5.316 4.208 8.540 1.00 53.25 C ATOM 705 O GLU A 48 4.210 4.499 8.103 1.00 30.40 O ATOM 706 CB GLU A 48 5.132 3.271 10.891 1.00 72.35 C ATOM 707 CG GLU A 48 5.002 1.953 11.676 1.00 32.13 C ATOM 708 CD GLU A 48 4.521 2.121 13.114 1.00 14.13 C ATOM 709 OE1 GLU A 48 4.034 3.213 13.482 1.00 5.43 O ATOM 710 OE2 GLU A 48 4.570 1.111 13.856 1.00 45.21 O ATOM 0 H GLU A 48 7.310 2.386 10.182 1.00 53.44 H new ATOM 0 HA GLU A 48 4.714 2.256 9.055 1.00 33.40 H new ATOM 0 HB2 GLU A 48 5.920 3.887 11.325 1.00 72.35 H new ATOM 0 HB3 GLU A 48 4.206 3.841 10.963 1.00 72.35 H new ATOM 0 HG2 GLU A 48 4.310 1.297 11.148 1.00 32.13 H new ATOM 0 HG3 GLU A 48 5.970 1.453 11.686 1.00 32.13 H new ATOM 715 N VAL A 49 6.418 4.888 8.207 1.00 4.12 N ATOM 716 CA VAL A 49 6.457 5.999 7.256 1.00 22.13 C ATOM 717 C VAL A 49 6.196 5.459 5.856 1.00 51.23 C ATOM 718 O VAL A 49 5.303 5.950 5.173 1.00 50.34 O ATOM 719 CB VAL A 49 7.803 6.749 7.357 1.00 42.41 C ATOM 720 CG1 VAL A 49 8.072 7.674 6.159 1.00 43.32 C ATOM 721 CG2 VAL A 49 7.769 7.622 8.615 1.00 71.33 C ATOM 0 H VAL A 49 7.333 4.673 8.604 1.00 4.12 H new ATOM 0 HA VAL A 49 5.679 6.725 7.491 1.00 22.13 H new ATOM 0 HB VAL A 49 8.591 5.997 7.383 1.00 42.41 H new ATOM 0 HG11 VAL A 49 9.033 8.171 6.292 1.00 43.32 H new ATOM 0 HG12 VAL A 49 8.091 7.085 5.242 1.00 43.32 H new ATOM 0 HG13 VAL A 49 7.282 8.423 6.093 1.00 43.32 H new ATOM 0 HG21 VAL A 49 8.711 8.163 8.708 1.00 71.33 H new ATOM 0 HG22 VAL A 49 6.947 8.334 8.541 1.00 71.33 H new ATOM 0 HG23 VAL A 49 7.625 6.991 9.492 1.00 71.33 H new ATOM 731 N GLN A 50 6.943 4.440 5.432 1.00 25.50 N ATOM 732 CA GLN A 50 6.817 3.868 4.103 1.00 74.53 C ATOM 733 C GLN A 50 5.370 3.409 3.874 1.00 13.14 C ATOM 734 O GLN A 50 4.799 3.648 2.809 1.00 50.24 O ATOM 735 CB GLN A 50 7.833 2.719 3.948 1.00 51.31 C ATOM 736 CG GLN A 50 9.307 3.146 4.006 1.00 14.15 C ATOM 737 CD GLN A 50 9.748 3.821 2.712 1.00 11.25 C ATOM 738 OE1 GLN A 50 9.285 4.904 2.371 1.00 50.24 O ATOM 739 NE2 GLN A 50 10.631 3.201 1.955 1.00 21.51 N ATOM 0 H GLN A 50 7.654 3.990 6.008 1.00 25.50 H new ATOM 0 HA GLN A 50 7.042 4.613 3.340 1.00 74.53 H new ATOM 0 HB2 GLN A 50 7.652 1.985 4.733 1.00 51.31 H new ATOM 0 HB3 GLN A 50 7.652 2.219 2.996 1.00 51.31 H new ATOM 0 HG2 GLN A 50 9.456 3.829 4.842 1.00 14.15 H new ATOM 0 HG3 GLN A 50 9.932 2.273 4.193 1.00 14.15 H new ATOM 0 HE21 GLN A 50 11.010 2.300 2.247 1.00 21.51 H new ATOM 0 HE22 GLN A 50 10.935 3.622 1.077 1.00 21.51 H new ATOM 746 N VAL A 51 4.744 2.796 4.883 1.00 52.05 N ATOM 747 CA VAL A 51 3.354 2.359 4.755 1.00 73.44 C ATOM 748 C VAL A 51 2.434 3.585 4.763 1.00 74.24 C ATOM 749 O VAL A 51 1.568 3.713 3.896 1.00 4.24 O ATOM 750 CB VAL A 51 3.019 1.350 5.864 1.00 31.11 C ATOM 751 CG1 VAL A 51 1.576 0.834 5.776 1.00 64.24 C ATOM 752 CG2 VAL A 51 3.956 0.132 5.778 1.00 21.42 C ATOM 0 H VAL A 51 5.173 2.594 5.786 1.00 52.05 H new ATOM 0 HA VAL A 51 3.200 1.845 3.806 1.00 73.44 H new ATOM 0 HB VAL A 51 3.147 1.882 6.807 1.00 31.11 H new ATOM 0 HG11 VAL A 51 1.393 0.124 6.583 1.00 64.24 H new ATOM 0 HG12 VAL A 51 0.884 1.671 5.866 1.00 64.24 H new ATOM 0 HG13 VAL A 51 1.424 0.339 4.817 1.00 64.24 H new ATOM 0 HG21 VAL A 51 3.707 -0.575 6.570 1.00 21.42 H new ATOM 0 HG22 VAL A 51 3.836 -0.352 4.809 1.00 21.42 H new ATOM 0 HG23 VAL A 51 4.989 0.459 5.895 1.00 21.42 H new ATOM 762 N LYS A 52 2.621 4.506 5.717 1.00 50.22 N ATOM 763 CA LYS A 52 1.858 5.744 5.856 1.00 53.32 C ATOM 764 C LYS A 52 1.778 6.483 4.528 1.00 12.33 C ATOM 765 O LYS A 52 0.662 6.808 4.130 1.00 72.03 O ATOM 766 CB LYS A 52 2.482 6.585 6.984 1.00 12.51 C ATOM 767 CG LYS A 52 2.083 8.059 7.064 1.00 53.23 C ATOM 768 CD LYS A 52 2.626 8.669 8.369 1.00 64.01 C ATOM 769 CE LYS A 52 2.616 10.193 8.273 1.00 12.20 C ATOM 770 NZ LYS A 52 3.062 10.853 9.521 1.00 54.22 N ATOM 0 H LYS A 52 3.335 4.402 6.438 1.00 50.22 H new ATOM 0 HA LYS A 52 0.826 5.526 6.133 1.00 53.32 H new ATOM 0 HB2 LYS A 52 2.229 6.115 7.934 1.00 12.51 H new ATOM 0 HB3 LYS A 52 3.566 6.534 6.882 1.00 12.51 H new ATOM 0 HG2 LYS A 52 2.479 8.601 6.205 1.00 53.23 H new ATOM 0 HG3 LYS A 52 0.998 8.155 7.029 1.00 53.23 H new ATOM 0 HD2 LYS A 52 2.017 8.345 9.213 1.00 64.01 H new ATOM 0 HD3 LYS A 52 3.640 8.314 8.552 1.00 64.01 H new ATOM 0 HE2 LYS A 52 3.263 10.504 7.453 1.00 12.20 H new ATOM 0 HE3 LYS A 52 1.608 10.530 8.030 1.00 12.20 H new ATOM 0 HZ1 LYS A 52 3.035 11.885 9.397 1.00 54.22 H new ATOM 0 HZ2 LYS A 52 2.431 10.581 10.302 1.00 54.22 H new ATOM 0 HZ3 LYS A 52 4.034 10.557 9.742 1.00 54.22 H new ATOM 780 N ILE A 53 2.907 6.726 3.862 1.00 51.44 N ATOM 781 CA ILE A 53 3.019 7.437 2.590 1.00 11.50 C ATOM 782 C ILE A 53 2.220 6.710 1.504 1.00 72.44 C ATOM 783 O ILE A 53 1.360 7.317 0.859 1.00 43.44 O ATOM 784 CB ILE A 53 4.522 7.608 2.235 1.00 22.40 C ATOM 785 CG1 ILE A 53 5.200 8.594 3.224 1.00 1.52 C ATOM 786 CG2 ILE A 53 4.696 8.073 0.773 1.00 50.34 C ATOM 787 CD1 ILE A 53 6.713 8.749 3.017 1.00 71.34 C ATOM 0 H ILE A 53 3.813 6.416 4.213 1.00 51.44 H new ATOM 0 HA ILE A 53 2.586 8.434 2.669 1.00 11.50 H new ATOM 0 HB ILE A 53 5.012 6.639 2.330 1.00 22.40 H new ATOM 0 HG12 ILE A 53 4.729 9.572 3.125 1.00 1.52 H new ATOM 0 HG13 ILE A 53 5.017 8.253 4.243 1.00 1.52 H new ATOM 0 HG21 ILE A 53 5.757 8.185 0.551 1.00 50.34 H new ATOM 0 HG22 ILE A 53 4.261 7.333 0.102 1.00 50.34 H new ATOM 0 HG23 ILE A 53 4.193 9.030 0.633 1.00 50.34 H new ATOM 0 HD11 ILE A 53 7.110 9.454 3.747 1.00 71.34 H new ATOM 0 HD12 ILE A 53 7.199 7.782 3.146 1.00 71.34 H new ATOM 0 HD13 ILE A 53 6.906 9.121 2.011 1.00 71.34 H new ATOM 798 N TRP A 54 2.469 5.420 1.255 1.00 62.04 N ATOM 799 CA TRP A 54 1.740 4.747 0.183 1.00 41.32 C ATOM 800 C TRP A 54 0.232 4.742 0.443 1.00 43.41 C ATOM 801 O TRP A 54 -0.542 5.007 -0.483 1.00 70.13 O ATOM 802 CB TRP A 54 2.241 3.331 -0.013 1.00 33.24 C ATOM 803 CG TRP A 54 1.726 2.711 -1.270 1.00 10.54 C ATOM 804 CD1 TRP A 54 2.352 2.715 -2.461 1.00 11.51 C ATOM 805 CD2 TRP A 54 0.511 1.937 -1.465 1.00 70.13 C ATOM 806 NE1 TRP A 54 1.704 1.859 -3.323 1.00 30.03 N ATOM 807 CE2 TRP A 54 0.544 1.361 -2.769 1.00 43.34 C ATOM 808 CE3 TRP A 54 -0.591 1.639 -0.643 1.00 1.11 C ATOM 809 CZ2 TRP A 54 -0.471 0.511 -3.230 1.00 73.30 C ATOM 810 CZ3 TRP A 54 -1.610 0.790 -1.097 1.00 30.25 C ATOM 811 CH2 TRP A 54 -1.559 0.239 -2.389 1.00 53.31 C ATOM 0 H TRP A 54 3.142 4.843 1.760 1.00 62.04 H new ATOM 0 HA TRP A 54 1.924 5.311 -0.732 1.00 41.32 H new ATOM 0 HB2 TRP A 54 3.331 3.334 -0.033 1.00 33.24 H new ATOM 0 HB3 TRP A 54 1.940 2.721 0.839 1.00 33.24 H new ATOM 0 HD1 TRP A 54 3.227 3.299 -2.703 1.00 11.51 H new ATOM 0 HE1 TRP A 54 2.041 1.622 -4.256 1.00 30.03 H new ATOM 0 HE3 TRP A 54 -0.653 2.068 0.346 1.00 1.11 H new ATOM 0 HZ2 TRP A 54 -0.416 0.073 -4.216 1.00 73.30 H new ATOM 0 HZ3 TRP A 54 -2.442 0.557 -0.448 1.00 30.25 H new ATOM 0 HH2 TRP A 54 -2.361 -0.396 -2.735 1.00 53.31 H new ATOM 821 N PHE A 55 -0.190 4.463 1.683 1.00 53.43 N ATOM 822 CA PHE A 55 -1.599 4.502 2.056 1.00 72.41 C ATOM 823 C PHE A 55 -2.148 5.925 1.931 1.00 22.03 C ATOM 824 O PHE A 55 -3.297 6.087 1.536 1.00 34.03 O ATOM 825 CB PHE A 55 -1.843 3.940 3.471 1.00 43.34 C ATOM 826 CG PHE A 55 -2.086 2.435 3.558 1.00 71.31 C ATOM 827 CD1 PHE A 55 -1.011 1.530 3.458 1.00 2.24 C ATOM 828 CD2 PHE A 55 -3.391 1.930 3.771 1.00 50.15 C ATOM 829 CE1 PHE A 55 -1.236 0.146 3.580 1.00 31.44 C ATOM 830 CE2 PHE A 55 -3.617 0.543 3.873 1.00 1.43 C ATOM 831 CZ PHE A 55 -2.535 -0.345 3.778 1.00 11.43 C ATOM 0 H PHE A 55 0.435 4.206 2.447 1.00 53.43 H new ATOM 0 HA PHE A 55 -2.137 3.857 1.361 1.00 72.41 H new ATOM 0 HB2 PHE A 55 -0.982 4.186 4.092 1.00 43.34 H new ATOM 0 HB3 PHE A 55 -2.703 4.453 3.901 1.00 43.34 H new ATOM 0 HD1 PHE A 55 -0.011 1.900 3.287 1.00 2.24 H new ATOM 0 HD2 PHE A 55 -4.222 2.615 3.856 1.00 50.15 H new ATOM 0 HE1 PHE A 55 -0.405 -0.541 3.521 1.00 31.44 H new ATOM 0 HE2 PHE A 55 -4.618 0.166 4.023 1.00 1.43 H new ATOM 0 HZ PHE A 55 -2.703 -1.409 3.857 1.00 11.43 H new ATOM 840 N GLN A 56 -1.358 6.957 2.235 1.00 64.41 N ATOM 841 CA GLN A 56 -1.742 8.360 2.083 1.00 3.34 C ATOM 842 C GLN A 56 -2.100 8.648 0.625 1.00 23.10 C ATOM 843 O GLN A 56 -3.034 9.399 0.353 1.00 11.32 O ATOM 844 CB GLN A 56 -0.612 9.306 2.568 1.00 24.23 C ATOM 845 CG GLN A 56 -0.723 9.730 4.039 1.00 52.11 C ATOM 846 CD GLN A 56 -0.634 11.237 4.255 1.00 24.44 C ATOM 847 OE1 GLN A 56 -1.638 11.876 4.562 1.00 45.11 O ATOM 848 NE2 GLN A 56 0.538 11.834 4.151 1.00 31.30 N ATOM 0 H GLN A 56 -0.414 6.837 2.601 1.00 64.41 H new ATOM 0 HA GLN A 56 -2.618 8.546 2.705 1.00 3.34 H new ATOM 0 HB2 GLN A 56 0.348 8.812 2.417 1.00 24.23 H new ATOM 0 HB3 GLN A 56 -0.612 10.200 1.945 1.00 24.23 H new ATOM 0 HG2 GLN A 56 -1.671 9.370 4.440 1.00 52.11 H new ATOM 0 HG3 GLN A 56 0.069 9.244 4.608 1.00 52.11 H new ATOM 0 HE21 GLN A 56 1.365 11.294 3.896 1.00 31.30 H new ATOM 0 HE22 GLN A 56 0.617 12.836 4.326 1.00 31.30 H new ATOM 855 N ASN A 57 -1.380 8.068 -0.335 1.00 4.34 N ATOM 856 CA ASN A 57 -1.599 8.300 -1.749 1.00 34.02 C ATOM 857 C ASN A 57 -2.867 7.587 -2.208 1.00 13.11 C ATOM 858 O ASN A 57 -3.756 8.218 -2.779 1.00 24.13 O ATOM 859 CB ASN A 57 -0.327 7.872 -2.484 1.00 21.42 C ATOM 860 CG ASN A 57 0.796 8.890 -2.309 1.00 41.12 C ATOM 861 OD1 ASN A 57 0.545 10.077 -2.115 1.00 71.22 O ATOM 862 ND2 ASN A 57 2.045 8.456 -2.333 1.00 10.43 N ATOM 0 H ASN A 57 -0.620 7.416 -0.142 1.00 4.34 H new ATOM 0 HA ASN A 57 -1.774 9.352 -1.974 1.00 34.02 H new ATOM 0 HB2 ASN A 57 0.000 6.902 -2.110 1.00 21.42 H new ATOM 0 HB3 ASN A 57 -0.544 7.748 -3.545 1.00 21.42 H new ATOM 0 HD21 ASN A 57 2.815 9.110 -2.189 1.00 10.43 H new ATOM 0 HD22 ASN A 57 2.238 7.468 -2.495 1.00 10.43 H new ATOM 868 N ARG A 58 -3.005 6.296 -1.894 1.00 1.22 N ATOM 869 CA ARG A 58 -4.212 5.520 -2.197 1.00 11.53 C ATOM 870 C ARG A 58 -5.457 6.165 -1.583 1.00 74.13 C ATOM 871 O ARG A 58 -6.488 6.288 -2.248 1.00 53.54 O ATOM 872 CB ARG A 58 -4.029 4.077 -1.684 1.00 52.33 C ATOM 873 CG ARG A 58 -4.137 2.981 -2.762 1.00 42.43 C ATOM 874 CD ARG A 58 -3.144 3.094 -3.927 1.00 32.32 C ATOM 875 NE ARG A 58 -1.784 3.403 -3.458 1.00 5.32 N ATOM 876 CZ ARG A 58 -0.915 4.196 -4.089 1.00 23.05 C ATOM 877 NH1 ARG A 58 -1.103 4.511 -5.360 1.00 4.15 N ATOM 878 NH2 ARG A 58 0.127 4.686 -3.431 1.00 25.24 N ATOM 0 H ARG A 58 -2.280 5.757 -1.421 1.00 1.22 H new ATOM 0 HA ARG A 58 -4.359 5.503 -3.277 1.00 11.53 H new ATOM 0 HB2 ARG A 58 -3.053 3.999 -1.205 1.00 52.33 H new ATOM 0 HB3 ARG A 58 -4.777 3.884 -0.915 1.00 52.33 H new ATOM 0 HG2 ARG A 58 -3.999 2.011 -2.283 1.00 42.43 H new ATOM 0 HG3 ARG A 58 -5.148 2.995 -3.168 1.00 42.43 H new ATOM 0 HD2 ARG A 58 -3.132 2.158 -4.486 1.00 32.32 H new ATOM 0 HD3 ARG A 58 -3.477 3.872 -4.614 1.00 32.32 H new ATOM 0 HE ARG A 58 -1.481 2.978 -2.582 1.00 5.32 H new ATOM 0 HH11 ARG A 58 -1.914 4.148 -5.861 1.00 4.15 H new ATOM 0 HH12 ARG A 58 -0.437 5.117 -5.839 1.00 4.15 H new ATOM 0 HH21 ARG A 58 0.262 4.457 -2.446 1.00 25.24 H new ATOM 0 HH22 ARG A 58 0.793 5.292 -3.910 1.00 25.24 H new ATOM 889 N ARG A 59 -5.388 6.553 -0.306 1.00 44.54 N ATOM 890 CA ARG A 59 -6.520 7.131 0.412 1.00 13.31 C ATOM 891 C ARG A 59 -6.896 8.473 -0.197 1.00 21.20 C ATOM 892 O ARG A 59 -8.086 8.688 -0.407 1.00 23.02 O ATOM 893 CB ARG A 59 -6.229 7.228 1.923 1.00 42.31 C ATOM 894 CG ARG A 59 -6.286 5.828 2.565 1.00 73.43 C ATOM 895 CD ARG A 59 -5.586 5.705 3.924 1.00 1.41 C ATOM 896 NE ARG A 59 -6.239 6.457 5.012 1.00 61.42 N ATOM 897 CZ ARG A 59 -5.717 6.635 6.235 1.00 52.43 C ATOM 898 NH1 ARG A 59 -4.590 6.014 6.587 1.00 12.33 N ATOM 899 NH2 ARG A 59 -6.332 7.410 7.123 1.00 74.42 N ATOM 0 H ARG A 59 -4.541 6.473 0.257 1.00 44.54 H new ATOM 0 HA ARG A 59 -7.381 6.471 0.307 1.00 13.31 H new ATOM 0 HB2 ARG A 59 -5.246 7.671 2.084 1.00 42.31 H new ATOM 0 HB3 ARG A 59 -6.956 7.885 2.400 1.00 42.31 H new ATOM 0 HG2 ARG A 59 -7.331 5.543 2.685 1.00 73.43 H new ATOM 0 HG3 ARG A 59 -5.837 5.111 1.877 1.00 73.43 H new ATOM 0 HD2 ARG A 59 -5.540 4.652 4.202 1.00 1.41 H new ATOM 0 HD3 ARG A 59 -4.558 6.053 3.823 1.00 1.41 H new ATOM 0 HE ARG A 59 -7.152 6.871 4.821 1.00 61.42 H new ATOM 0 HH11 ARG A 59 -4.119 5.398 5.924 1.00 12.33 H new ATOM 0 HH12 ARG A 59 -4.200 6.155 7.519 1.00 12.33 H new ATOM 0 HH21 ARG A 59 -7.206 7.874 6.876 1.00 74.42 H new ATOM 0 HH22 ARG A 59 -5.929 7.541 8.051 1.00 74.42 H new ATOM 910 N ALA A 60 -5.930 9.349 -0.502 1.00 74.42 N ATOM 911 CA ALA A 60 -6.198 10.641 -1.135 1.00 24.04 C ATOM 912 C ALA A 60 -6.993 10.440 -2.427 1.00 31.44 C ATOM 913 O ALA A 60 -8.137 10.892 -2.513 1.00 53.34 O ATOM 914 CB ALA A 60 -4.891 11.408 -1.375 1.00 71.02 C ATOM 0 H ALA A 60 -4.942 9.179 -0.316 1.00 74.42 H new ATOM 0 HA ALA A 60 -6.806 11.248 -0.464 1.00 24.04 H new ATOM 0 HB1 ALA A 60 -5.112 12.366 -1.846 1.00 71.02 H new ATOM 0 HB2 ALA A 60 -4.390 11.580 -0.422 1.00 71.02 H new ATOM 0 HB3 ALA A 60 -4.241 10.824 -2.027 1.00 71.02 H new ATOM 920 N LYS A 61 -6.434 9.691 -3.387 1.00 73.22 N ATOM 921 CA LYS A 61 -7.035 9.502 -4.710 1.00 4.23 C ATOM 922 C LYS A 61 -8.454 8.935 -4.612 1.00 70.32 C ATOM 923 O LYS A 61 -9.347 9.369 -5.335 1.00 71.01 O ATOM 924 CB LYS A 61 -6.096 8.638 -5.570 1.00 11.41 C ATOM 925 CG LYS A 61 -6.415 8.709 -7.072 1.00 0.10 C ATOM 926 CD LYS A 61 -5.388 7.897 -7.878 1.00 1.15 C ATOM 927 CE LYS A 61 -5.597 8.052 -9.391 1.00 55.33 C ATOM 928 NZ LYS A 61 -4.768 9.121 -9.994 1.00 60.34 N ATOM 0 H LYS A 61 -5.549 9.198 -3.265 1.00 73.22 H new ATOM 0 HA LYS A 61 -7.148 10.469 -5.201 1.00 4.23 H new ATOM 0 HB2 LYS A 61 -5.067 8.959 -5.408 1.00 11.41 H new ATOM 0 HB3 LYS A 61 -6.162 7.601 -5.240 1.00 11.41 H new ATOM 0 HG2 LYS A 61 -7.418 8.323 -7.256 1.00 0.10 H new ATOM 0 HG3 LYS A 61 -6.407 9.747 -7.403 1.00 0.10 H new ATOM 0 HD2 LYS A 61 -4.381 8.222 -7.615 1.00 1.15 H new ATOM 0 HD3 LYS A 61 -5.464 6.844 -7.607 1.00 1.15 H new ATOM 0 HE2 LYS A 61 -5.368 7.105 -9.881 1.00 55.33 H new ATOM 0 HE3 LYS A 61 -6.648 8.265 -9.585 1.00 55.33 H new ATOM 0 HZ1 LYS A 61 -4.957 9.173 -11.015 1.00 60.34 H new ATOM 0 HZ2 LYS A 61 -5.002 10.033 -9.552 1.00 60.34 H new ATOM 0 HZ3 LYS A 61 -3.762 8.909 -9.839 1.00 60.34 H new ATOM 938 N TRP A 62 -8.718 8.038 -3.660 1.00 14.32 N ATOM 939 CA TRP A 62 -10.056 7.503 -3.438 1.00 45.22 C ATOM 940 C TRP A 62 -11.064 8.596 -3.038 1.00 52.51 C ATOM 941 O TRP A 62 -12.231 8.539 -3.433 1.00 62.05 O ATOM 942 CB TRP A 62 -9.973 6.382 -2.395 1.00 50.44 C ATOM 943 CG TRP A 62 -11.282 5.962 -1.814 1.00 73.01 C ATOM 944 CD1 TRP A 62 -12.260 5.293 -2.463 1.00 23.30 C ATOM 945 CD2 TRP A 62 -11.806 6.257 -0.489 1.00 71.31 C ATOM 946 NE1 TRP A 62 -13.353 5.155 -1.633 1.00 45.35 N ATOM 947 CE2 TRP A 62 -13.095 5.666 -0.376 1.00 13.13 C ATOM 948 CE3 TRP A 62 -11.323 6.981 0.622 1.00 63.04 C ATOM 949 CZ2 TRP A 62 -13.826 5.712 0.818 1.00 12.43 C ATOM 950 CZ3 TRP A 62 -12.082 7.097 1.801 1.00 10.30 C ATOM 951 CH2 TRP A 62 -13.324 6.443 1.908 1.00 1.30 C ATOM 0 H TRP A 62 -8.011 7.665 -3.026 1.00 14.32 H new ATOM 0 HA TRP A 62 -10.433 7.092 -4.374 1.00 45.22 H new ATOM 0 HB2 TRP A 62 -9.501 5.513 -2.854 1.00 50.44 H new ATOM 0 HB3 TRP A 62 -9.321 6.708 -1.585 1.00 50.44 H new ATOM 0 HD1 TRP A 62 -12.196 4.923 -3.476 1.00 23.30 H new ATOM 0 HE1 TRP A 62 -14.238 4.730 -1.912 1.00 45.35 H new ATOM 0 HE3 TRP A 62 -10.354 7.454 0.566 1.00 63.04 H new ATOM 0 HZ2 TRP A 62 -14.768 5.190 0.900 1.00 12.43 H new ATOM 0 HZ3 TRP A 62 -11.711 7.689 2.625 1.00 10.30 H new ATOM 0 HH2 TRP A 62 -13.890 6.503 2.826 1.00 1.30 H new ATOM 961 N LYS A 63 -10.663 9.630 -2.290 1.00 32.12 N ATOM 962 CA LYS A 63 -11.582 10.725 -1.952 1.00 70.41 C ATOM 963 C LYS A 63 -11.952 11.531 -3.188 1.00 41.55 C ATOM 964 O LYS A 63 -13.105 11.936 -3.322 1.00 54.51 O ATOM 965 CB LYS A 63 -11.014 11.640 -0.863 1.00 21.03 C ATOM 966 CG LYS A 63 -10.669 10.825 0.385 1.00 65.21 C ATOM 967 CD LYS A 63 -10.454 11.718 1.599 1.00 2.23 C ATOM 968 CE LYS A 63 -10.110 10.832 2.793 1.00 11.10 C ATOM 969 NZ LYS A 63 -9.981 11.631 4.024 1.00 44.11 N ATOM 0 H LYS A 63 -9.722 9.733 -1.911 1.00 32.12 H new ATOM 0 HA LYS A 63 -12.487 10.266 -1.554 1.00 70.41 H new ATOM 0 HB2 LYS A 63 -10.123 12.148 -1.233 1.00 21.03 H new ATOM 0 HB3 LYS A 63 -11.740 12.413 -0.612 1.00 21.03 H new ATOM 0 HG2 LYS A 63 -11.472 10.118 0.591 1.00 65.21 H new ATOM 0 HG3 LYS A 63 -9.768 10.240 0.200 1.00 65.21 H new ATOM 0 HD2 LYS A 63 -9.649 12.429 1.410 1.00 2.23 H new ATOM 0 HD3 LYS A 63 -11.352 12.301 1.805 1.00 2.23 H new ATOM 0 HE2 LYS A 63 -10.885 10.077 2.925 1.00 11.10 H new ATOM 0 HE3 LYS A 63 -9.177 10.302 2.600 1.00 11.10 H new ATOM 0 HZ1 LYS A 63 -9.747 11.005 4.821 1.00 44.11 H new ATOM 0 HZ2 LYS A 63 -9.225 12.335 3.903 1.00 44.11 H new ATOM 0 HZ3 LYS A 63 -10.880 12.117 4.218 1.00 44.11 H new ATOM 979 N ARG A 64 -11.024 11.675 -4.136 1.00 63.21 N ATOM 980 CA ARG A 64 -11.266 12.257 -5.449 1.00 71.41 C ATOM 981 C ARG A 64 -12.154 11.359 -6.311 1.00 1.33 C ATOM 982 O ARG A 64 -12.433 11.726 -7.446 1.00 73.04 O ATOM 983 CB ARG A 64 -9.910 12.558 -6.124 1.00 12.41 C ATOM 984 CG ARG A 64 -9.319 13.916 -5.715 1.00 72.11 C ATOM 985 CD ARG A 64 -9.887 15.090 -6.530 1.00 14.54 C ATOM 986 NE ARG A 64 -9.576 14.990 -7.967 1.00 63.05 N ATOM 987 CZ ARG A 64 -8.373 15.078 -8.552 1.00 11.32 C ATOM 988 NH1 ARG A 64 -7.288 15.422 -7.862 1.00 64.11 N ATOM 989 NH2 ARG A 64 -8.259 14.805 -9.844 1.00 14.33 N ATOM 0 H ARG A 64 -10.057 11.380 -4.003 1.00 63.21 H new ATOM 0 HA ARG A 64 -11.813 13.192 -5.332 1.00 71.41 H new ATOM 0 HB2 ARG A 64 -9.202 11.769 -5.870 1.00 12.41 H new ATOM 0 HB3 ARG A 64 -10.037 12.535 -7.206 1.00 12.41 H new ATOM 0 HG2 ARG A 64 -9.515 14.087 -4.657 1.00 72.11 H new ATOM 0 HG3 ARG A 64 -8.236 13.886 -5.838 1.00 72.11 H new ATOM 0 HD2 ARG A 64 -10.968 15.128 -6.399 1.00 14.54 H new ATOM 0 HD3 ARG A 64 -9.485 16.025 -6.140 1.00 14.54 H new ATOM 0 HE ARG A 64 -10.369 14.836 -8.590 1.00 63.05 H new ATOM 0 HH11 ARG A 64 -7.361 15.626 -6.865 1.00 64.11 H new ATOM 0 HH12 ARG A 64 -6.384 15.482 -8.330 1.00 64.11 H new ATOM 0 HH21 ARG A 64 -9.081 14.531 -10.382 1.00 14.33 H new ATOM 0 HH22 ARG A 64 -7.349 14.868 -10.300 1.00 14.33 H new ATOM 1000 N ILE A 65 -12.633 10.230 -5.789 1.00 1.50 N ATOM 1001 CA ILE A 65 -13.691 9.439 -6.386 1.00 12.13 C ATOM 1002 C ILE A 65 -14.976 9.687 -5.589 1.00 42.43 C ATOM 1003 O ILE A 65 -15.940 10.240 -6.119 1.00 12.43 O ATOM 1004 CB ILE A 65 -13.281 7.952 -6.519 1.00 43.42 C ATOM 1005 CG1 ILE A 65 -11.978 7.832 -7.341 1.00 20.12 C ATOM 1006 CG2 ILE A 65 -14.412 7.168 -7.194 1.00 51.44 C ATOM 1007 CD1 ILE A 65 -11.416 6.412 -7.456 1.00 24.00 C ATOM 0 H ILE A 65 -12.282 9.836 -4.916 1.00 1.50 H new ATOM 0 HA ILE A 65 -13.881 9.746 -7.414 1.00 12.13 H new ATOM 0 HB ILE A 65 -13.103 7.537 -5.527 1.00 43.42 H new ATOM 0 HG12 ILE A 65 -12.162 8.217 -8.344 1.00 20.12 H new ATOM 0 HG13 ILE A 65 -11.220 8.471 -6.888 1.00 20.12 H new ATOM 0 HG21 ILE A 65 -14.123 6.121 -7.288 1.00 51.44 H new ATOM 0 HG22 ILE A 65 -15.317 7.242 -6.591 1.00 51.44 H new ATOM 0 HG23 ILE A 65 -14.601 7.582 -8.184 1.00 51.44 H new ATOM 0 HD11 ILE A 65 -10.502 6.429 -8.050 1.00 24.00 H new ATOM 0 HD12 ILE A 65 -11.194 6.027 -6.461 1.00 24.00 H new ATOM 0 HD13 ILE A 65 -12.151 5.768 -7.939 1.00 24.00 H new ATOM 1018 N LYS A 66 -14.992 9.324 -4.302 1.00 74.25 N ATOM 1019 CA LYS A 66 -16.216 9.311 -3.487 1.00 71.44 C ATOM 1020 C LYS A 66 -16.881 10.679 -3.331 1.00 35.40 C ATOM 1021 O LYS A 66 -18.102 10.751 -3.215 1.00 53.32 O ATOM 1022 CB LYS A 66 -15.916 8.701 -2.110 1.00 5.33 C ATOM 1023 CG LYS A 66 -15.398 9.724 -1.080 1.00 53.32 C ATOM 1024 CD LYS A 66 -14.576 9.023 -0.020 1.00 12.10 C ATOM 1025 CE LYS A 66 -14.274 9.880 1.217 1.00 52.45 C ATOM 1026 NZ LYS A 66 -15.488 10.300 1.950 1.00 50.32 N ATOM 0 H LYS A 66 -14.158 9.031 -3.794 1.00 74.25 H new ATOM 0 HA LYS A 66 -16.936 8.696 -4.027 1.00 71.44 H new ATOM 0 HB2 LYS A 66 -16.823 8.236 -1.723 1.00 5.33 H new ATOM 0 HB3 LYS A 66 -15.176 7.909 -2.226 1.00 5.33 H new ATOM 0 HG2 LYS A 66 -14.793 10.480 -1.580 1.00 53.32 H new ATOM 0 HG3 LYS A 66 -16.237 10.242 -0.617 1.00 53.32 H new ATOM 0 HD2 LYS A 66 -15.104 8.123 0.296 1.00 12.10 H new ATOM 0 HD3 LYS A 66 -13.634 8.700 -0.463 1.00 12.10 H new ATOM 0 HE2 LYS A 66 -13.628 9.317 1.891 1.00 52.45 H new ATOM 0 HE3 LYS A 66 -13.719 10.766 0.909 1.00 52.45 H new ATOM 0 HZ1 LYS A 66 -15.215 10.727 2.858 1.00 50.32 H new ATOM 0 HZ2 LYS A 66 -16.012 10.997 1.383 1.00 50.32 H new ATOM 0 HZ3 LYS A 66 -16.092 9.472 2.124 1.00 50.32 H new ATOM 1036 N ALA A 67 -16.056 11.721 -3.256 1.00 61.22 N ATOM 1037 CA ALA A 67 -16.399 13.118 -3.042 1.00 30.03 C ATOM 1038 C ALA A 67 -15.860 13.951 -4.206 1.00 52.54 C ATOM 1039 O ALA A 67 -15.833 15.182 -4.147 1.00 45.15 O ATOM 1040 CB ALA A 67 -15.801 13.585 -1.709 1.00 52.12 C ATOM 0 H ALA A 67 -15.048 11.595 -3.352 1.00 61.22 H new ATOM 0 HA ALA A 67 -17.481 13.241 -2.999 1.00 30.03 H new ATOM 0 HB1 ALA A 67 -16.055 14.632 -1.543 1.00 52.12 H new ATOM 0 HB2 ALA A 67 -16.205 12.981 -0.897 1.00 52.12 H new ATOM 0 HB3 ALA A 67 -14.717 13.475 -1.738 1.00 52.12 H new ATOM 1046 N GLY A 68 -15.314 13.287 -5.224 1.00 3.53 N ATOM 1047 CA GLY A 68 -14.845 13.939 -6.440 1.00 20.44 C ATOM 1048 C GLY A 68 -15.845 13.787 -7.579 1.00 14.13 C ATOM 1049 O GLY A 68 -15.630 12.944 -8.451 1.00 4.23 O ATOM 0 H GLY A 68 -15.185 12.275 -5.225 1.00 3.53 H new ATOM 0 HA2 GLY A 68 -14.675 14.998 -6.243 1.00 20.44 H new ATOM 0 HA3 GLY A 68 -13.887 13.512 -6.737 1.00 20.44 H new ATOM 1053 N ASN A 69 -16.899 14.606 -7.628 1.00 44.55 N ATOM 1054 CA ASN A 69 -17.767 14.722 -8.790 1.00 54.11 C ATOM 1055 C ASN A 69 -18.150 16.179 -8.972 1.00 52.15 C ATOM 1056 O ASN A 69 -18.544 16.851 -8.020 1.00 44.53 O ATOM 1057 CB ASN A 69 -19.032 13.859 -8.663 1.00 32.34 C ATOM 1058 CG ASN A 69 -18.848 12.538 -9.385 1.00 60.32 C ATOM 1059 OD1 ASN A 69 -18.679 12.524 -10.605 1.00 3.14 O ATOM 1060 ND2 ASN A 69 -18.903 11.417 -8.690 1.00 31.01 N ATOM 0 H ASN A 69 -17.171 15.210 -6.853 1.00 44.55 H new ATOM 0 HA ASN A 69 -17.220 14.358 -9.660 1.00 54.11 H new ATOM 0 HB2 ASN A 69 -19.252 13.678 -7.611 1.00 32.34 H new ATOM 0 HB3 ASN A 69 -19.887 14.392 -9.080 1.00 32.34 H new ATOM 0 HD21 ASN A 69 -18.805 10.519 -9.163 1.00 31.01 H new ATOM 0 HD22 ASN A 69 -19.044 11.449 -7.680 1.00 31.01 H new ATOM 1066 N VAL A 70 -18.045 16.635 -10.213 1.00 22.23 N ATOM 1067 CA VAL A 70 -18.508 17.919 -10.737 1.00 72.03 C ATOM 1068 C VAL A 70 -19.145 17.624 -12.105 1.00 63.44 C ATOM 1069 O VAL A 70 -18.736 18.156 -13.135 1.00 64.41 O ATOM 1070 CB VAL A 70 -17.334 18.929 -10.790 1.00 74.31 C ATOM 1071 CG1 VAL A 70 -16.917 19.371 -9.377 1.00 35.32 C ATOM 1072 CG2 VAL A 70 -16.082 18.386 -11.509 1.00 75.43 C ATOM 0 H VAL A 70 -17.599 16.074 -10.939 1.00 22.23 H new ATOM 0 HA VAL A 70 -19.254 18.392 -10.098 1.00 72.03 H new ATOM 0 HB VAL A 70 -17.717 19.773 -11.363 1.00 74.31 H new ATOM 0 HG11 VAL A 70 -16.091 20.079 -9.446 1.00 35.32 H new ATOM 0 HG12 VAL A 70 -17.763 19.847 -8.880 1.00 35.32 H new ATOM 0 HG13 VAL A 70 -16.601 18.501 -8.802 1.00 35.32 H new ATOM 0 HG21 VAL A 70 -15.302 19.148 -11.507 1.00 75.43 H new ATOM 0 HG22 VAL A 70 -15.722 17.497 -10.991 1.00 75.43 H new ATOM 0 HG23 VAL A 70 -16.336 18.129 -12.537 1.00 75.43 H new ATOM 1082 N SER A 71 -20.046 16.642 -12.125 1.00 20.02 N ATOM 1083 CA SER A 71 -20.393 15.853 -13.294 1.00 32.44 C ATOM 1084 C SER A 71 -21.885 15.585 -13.295 1.00 31.32 C ATOM 1085 O SER A 71 -22.343 14.960 -14.270 1.00 52.13 O ATOM 1086 CB SER A 71 -19.621 14.528 -13.220 1.00 3.32 C ATOM 1087 OG SER A 71 -18.886 14.294 -14.403 1.00 22.23 O ATOM 0 H SER A 71 -20.570 16.369 -11.294 1.00 20.02 H new ATOM 0 HA SER A 71 -20.133 16.386 -14.209 1.00 32.44 H new ATOM 0 HB2 SER A 71 -18.943 14.547 -12.366 1.00 3.32 H new ATOM 0 HB3 SER A 71 -20.319 13.707 -13.055 1.00 3.32 H new ATOM 0 HG SER A 71 -18.404 13.444 -14.326 1.00 22.23 H new TER 1092 SER A 71