USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 773 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 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0.0386 USER MOD Set 2.1: A 79 GLN : amide:sc= -0.559 K(o=-0.56,f=-4.6!) USER MOD Set 2.2: A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.432 X(o=-0.43,f=-0.013) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.069 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0657 USER MOD Single : A 27 THR OG1 : rot -81:sc= 0.0524 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 77:sc= 0.979 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0293 K(o=-0.029,f=-0.61) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00378) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.101 USER MOD Single : A 61 THR OG1 : rot 168:sc= 0.176 USER MOD Single : A 62 LYS NZ :NH3+ 167:sc= -0.078 (180deg=-0.321) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0782 K(o=-0.078,f=-1.4!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0112 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.0304 USER MOD Single : A 89 GLN : amide:sc= -0.0457 X(o=-0.046,f=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N HIS A 14 0.004 -1.029 -6.874 1.00 52.14 N ATOM 28 CA HIS A 14 0.918 -1.281 -7.982 1.00 43.04 C ATOM 29 C HIS A 14 0.179 -1.244 -9.316 1.00 74.34 C ATOM 30 O HIS A 14 -0.876 -1.860 -9.468 1.00 61.13 O ATOM 31 CB HIS A 14 1.607 -2.634 -7.805 1.00 61.40 C ATOM 32 CG HIS A 14 0.654 -3.767 -7.577 1.00 55.50 C ATOM 33 ND1 HIS A 14 0.396 -4.294 -6.329 1.00 55.52 N ATOM 34 CD2 HIS A 14 -0.108 -4.472 -8.446 1.00 45.33 C ATOM 35 CE1 HIS A 14 -0.482 -5.275 -6.441 1.00 24.10 C ATOM 36 NE2 HIS A 14 -0.803 -5.403 -7.716 1.00 33.24 N ATOM 0 HA HIS A 14 1.673 -0.495 -7.983 1.00 43.04 H new ATOM 0 HB2 HIS A 14 2.205 -2.846 -8.691 1.00 61.40 H new ATOM 0 HB3 HIS A 14 2.296 -2.574 -6.962 1.00 61.40 H new ATOM 0 HD2 HIS A 14 -0.159 -4.328 -9.515 1.00 45.33 H new ATOM 0 HE1 HIS A 14 -0.871 -5.871 -5.629 1.00 24.10 H new ATOM 0 HE2 HIS A 14 -1.461 -6.084 -8.096 1.00 33.24 H new ATOM 44 N GLN A 15 0.739 -0.518 -10.278 1.00 73.03 N ATOM 45 CA GLN A 15 0.131 -0.400 -11.598 1.00 73.44 C ATOM 46 C GLN A 15 1.099 -0.854 -12.686 1.00 31.00 C ATOM 47 O GLN A 15 2.210 -0.336 -12.799 1.00 43.20 O ATOM 48 CB GLN A 15 -0.304 1.043 -11.856 1.00 13.20 C ATOM 49 CG GLN A 15 0.825 2.052 -11.720 1.00 54.32 C ATOM 50 CD GLN A 15 0.389 3.324 -11.020 1.00 2.32 C ATOM 51 OE1 GLN A 15 -0.679 3.868 -11.302 1.00 71.31 O ATOM 52 NE2 GLN A 15 1.216 3.807 -10.100 1.00 24.31 N ATOM 0 H GLN A 15 1.612 -0.003 -10.168 1.00 73.03 H new ATOM 0 HA GLN A 15 -0.746 -1.046 -11.625 1.00 73.44 H new ATOM 0 HB2 GLN A 15 -0.724 1.113 -12.859 1.00 13.20 H new ATOM 0 HB3 GLN A 15 -1.100 1.304 -11.158 1.00 13.20 H new ATOM 0 HG2 GLN A 15 1.647 1.600 -11.165 1.00 54.32 H new ATOM 0 HG3 GLN A 15 1.207 2.299 -12.710 1.00 54.32 H new ATOM 0 HE21 GLN A 15 2.091 3.324 -9.897 1.00 24.31 H new ATOM 0 HE22 GLN A 15 0.976 4.661 -9.596 1.00 24.31 H new ATOM 61 N THR A 16 0.670 -1.826 -13.485 1.00 41.15 N ATOM 62 CA THR A 16 1.499 -2.351 -14.563 1.00 41.32 C ATOM 63 C THR A 16 0.643 -2.876 -15.710 1.00 12.42 C ATOM 64 O THR A 16 -0.338 -3.586 -15.490 1.00 73.25 O ATOM 65 CB THR A 16 2.419 -3.481 -14.065 1.00 32.41 C ATOM 66 OG1 THR A 16 3.149 -3.047 -12.913 1.00 3.25 O ATOM 67 CG2 THR A 16 3.389 -3.910 -15.155 1.00 44.41 C ATOM 0 H THR A 16 -0.247 -2.266 -13.406 1.00 41.15 H new ATOM 0 HA THR A 16 2.113 -1.524 -14.921 1.00 41.32 H new ATOM 0 HB THR A 16 1.796 -4.335 -13.799 1.00 32.41 H new ATOM 0 HG1 THR A 16 3.730 -3.772 -12.602 1.00 3.25 H new ATOM 0 HG21 THR A 16 4.028 -4.709 -14.779 1.00 44.41 H new ATOM 0 HG22 THR A 16 2.830 -4.269 -16.019 1.00 44.41 H new ATOM 0 HG23 THR A 16 4.005 -3.060 -15.449 1.00 44.41 H new ATOM 75 N VAL A 17 1.020 -2.522 -16.934 1.00 42.13 N ATOM 76 CA VAL A 17 0.287 -2.959 -18.116 1.00 64.35 C ATOM 77 C VAL A 17 1.162 -3.824 -19.017 1.00 25.12 C ATOM 78 O VAL A 17 2.374 -3.622 -19.103 1.00 11.53 O ATOM 79 CB VAL A 17 -0.237 -1.759 -18.928 1.00 22.53 C ATOM 80 CG1 VAL A 17 -1.117 -2.233 -20.074 1.00 60.41 C ATOM 81 CG2 VAL A 17 -0.994 -0.797 -18.026 1.00 34.15 C ATOM 0 H VAL A 17 1.829 -1.934 -17.133 1.00 42.13 H new ATOM 0 HA VAL A 17 -0.560 -3.547 -17.763 1.00 64.35 H new ATOM 0 HB VAL A 17 0.616 -1.229 -19.352 1.00 22.53 H new ATOM 0 HG11 VAL A 17 -1.478 -1.372 -20.636 1.00 60.41 H new ATOM 0 HG12 VAL A 17 -0.539 -2.880 -20.733 1.00 60.41 H new ATOM 0 HG13 VAL A 17 -1.966 -2.788 -19.675 1.00 60.41 H new ATOM 0 HG21 VAL A 17 -1.357 0.045 -18.615 1.00 34.15 H new ATOM 0 HG22 VAL A 17 -1.839 -1.313 -17.571 1.00 34.15 H new ATOM 0 HG23 VAL A 17 -0.329 -0.432 -17.244 1.00 34.15 H new ATOM 91 N TYR A 18 0.541 -4.788 -19.687 1.00 22.34 N ATOM 92 CA TYR A 18 1.264 -5.686 -20.580 1.00 33.22 C ATOM 93 C TYR A 18 0.892 -5.422 -22.036 1.00 12.24 C ATOM 94 O TYR A 18 -0.285 -5.425 -22.399 1.00 24.23 O ATOM 95 CB TYR A 18 0.966 -7.143 -20.222 1.00 62.43 C ATOM 96 CG TYR A 18 1.079 -7.439 -18.744 1.00 35.22 C ATOM 97 CD1 TYR A 18 2.255 -7.945 -18.204 1.00 51.02 C ATOM 98 CD2 TYR A 18 0.009 -7.214 -17.887 1.00 35.13 C ATOM 99 CE1 TYR A 18 2.362 -8.217 -16.854 1.00 61.51 C ATOM 100 CE2 TYR A 18 0.107 -7.482 -16.535 1.00 62.32 C ATOM 101 CZ TYR A 18 1.286 -7.984 -16.024 1.00 12.03 C ATOM 102 OH TYR A 18 1.388 -8.254 -14.678 1.00 54.22 O ATOM 0 H TYR A 18 -0.461 -4.968 -19.629 1.00 22.34 H new ATOM 0 HA TYR A 18 2.331 -5.499 -20.457 1.00 33.22 H new ATOM 0 HB2 TYR A 18 -0.041 -7.392 -20.558 1.00 62.43 H new ATOM 0 HB3 TYR A 18 1.653 -7.790 -20.767 1.00 62.43 H new ATOM 0 HD1 TYR A 18 3.100 -8.129 -18.851 1.00 51.02 H new ATOM 0 HD2 TYR A 18 -0.916 -6.823 -18.285 1.00 35.13 H new ATOM 0 HE1 TYR A 18 3.284 -8.610 -16.451 1.00 61.51 H new ATOM 0 HE2 TYR A 18 -0.734 -7.300 -15.882 1.00 62.32 H new ATOM 0 HH TYR A 18 0.542 -8.033 -14.235 1.00 54.22 H new ATOM 112 N VAL A 19 1.904 -5.193 -22.866 1.00 62.41 N ATOM 113 CA VAL A 19 1.686 -4.929 -24.283 1.00 51.22 C ATOM 114 C VAL A 19 2.482 -5.896 -25.152 1.00 4.21 C ATOM 115 O VAL A 19 3.557 -6.355 -24.765 1.00 22.02 O ATOM 116 CB VAL A 19 2.076 -3.485 -24.651 1.00 50.12 C ATOM 117 CG1 VAL A 19 1.676 -3.173 -26.085 1.00 44.32 C ATOM 118 CG2 VAL A 19 1.438 -2.498 -23.685 1.00 24.45 C ATOM 0 H VAL A 19 2.883 -5.185 -22.581 1.00 62.41 H new ATOM 0 HA VAL A 19 0.622 -5.069 -24.471 1.00 51.22 H new ATOM 0 HB VAL A 19 3.159 -3.388 -24.571 1.00 50.12 H new ATOM 0 HG11 VAL A 19 1.959 -2.149 -26.327 1.00 44.32 H new ATOM 0 HG12 VAL A 19 2.184 -3.860 -26.762 1.00 44.32 H new ATOM 0 HG13 VAL A 19 0.598 -3.287 -26.195 1.00 44.32 H new ATOM 0 HG21 VAL A 19 1.724 -1.483 -23.960 1.00 24.45 H new ATOM 0 HG22 VAL A 19 0.353 -2.594 -23.730 1.00 24.45 H new ATOM 0 HG23 VAL A 19 1.779 -2.709 -22.671 1.00 24.45 H new ATOM 128 N LYS A 20 1.948 -6.202 -26.330 1.00 5.44 N ATOM 129 CA LYS A 20 2.609 -7.113 -27.256 1.00 62.12 C ATOM 130 C LYS A 20 4.056 -6.693 -27.494 1.00 21.12 C ATOM 131 O LYS A 20 4.429 -5.534 -27.312 1.00 41.12 O ATOM 132 CB LYS A 20 1.854 -7.156 -28.587 1.00 24.12 C ATOM 133 CG LYS A 20 1.441 -5.786 -29.096 1.00 33.21 C ATOM 134 CD LYS A 20 1.522 -5.707 -30.611 1.00 53.42 C ATOM 135 CE LYS A 20 2.446 -4.586 -31.062 1.00 2.02 C ATOM 136 NZ LYS A 20 3.257 -4.979 -32.247 1.00 42.13 N ATOM 0 H LYS A 20 1.059 -5.832 -26.666 1.00 5.44 H new ATOM 0 HA LYS A 20 2.607 -8.108 -26.811 1.00 62.12 H new ATOM 0 HB2 LYS A 20 2.482 -7.639 -29.336 1.00 24.12 H new ATOM 0 HB3 LYS A 20 0.964 -7.775 -28.471 1.00 24.12 H new ATOM 0 HG2 LYS A 20 0.423 -5.569 -28.773 1.00 33.21 H new ATOM 0 HG3 LYS A 20 2.084 -5.024 -28.656 1.00 33.21 H new ATOM 0 HD2 LYS A 20 1.880 -6.657 -31.007 1.00 53.42 H new ATOM 0 HD3 LYS A 20 0.525 -5.546 -31.022 1.00 53.42 H new ATOM 0 HE2 LYS A 20 1.855 -3.703 -31.303 1.00 2.02 H new ATOM 0 HE3 LYS A 20 3.110 -4.311 -30.243 1.00 2.02 H new ATOM 0 HZ1 LYS A 20 3.873 -4.188 -32.523 1.00 42.13 H new ATOM 0 HZ2 LYS A 20 3.841 -5.806 -32.009 1.00 42.13 H new ATOM 0 HZ3 LYS A 20 2.624 -5.217 -33.037 1.00 42.13 H new ATOM 150 N PRO A 21 4.892 -7.656 -27.911 1.00 52.30 N ATOM 151 CA PRO A 21 6.311 -7.409 -28.184 1.00 54.55 C ATOM 152 C PRO A 21 6.521 -6.551 -29.428 1.00 34.31 C ATOM 153 O PRO A 21 5.603 -6.363 -30.227 1.00 11.03 O ATOM 154 CB PRO A 21 6.880 -8.813 -28.401 1.00 1.23 C ATOM 155 CG PRO A 21 5.717 -9.628 -28.852 1.00 4.24 C ATOM 156 CD PRO A 21 4.516 -9.059 -28.149 1.00 32.54 C ATOM 0 HA PRO A 21 6.792 -6.860 -27.375 1.00 54.55 H new ATOM 0 HB2 PRO A 21 7.673 -8.807 -29.149 1.00 1.23 H new ATOM 0 HB3 PRO A 21 7.311 -9.212 -27.483 1.00 1.23 H new ATOM 0 HG2 PRO A 21 5.598 -9.573 -29.934 1.00 4.24 H new ATOM 0 HG3 PRO A 21 5.856 -10.679 -28.599 1.00 4.24 H new ATOM 0 HD2 PRO A 21 3.618 -9.136 -28.762 1.00 32.54 H new ATOM 0 HD3 PRO A 21 4.311 -9.584 -27.216 1.00 32.54 H new ATOM 164 N VAL A 22 7.735 -6.034 -29.586 1.00 53.24 N ATOM 165 CA VAL A 22 8.066 -5.198 -30.734 1.00 14.50 C ATOM 166 C VAL A 22 8.993 -5.929 -31.698 1.00 30.02 C ATOM 167 O VAL A 22 9.723 -6.846 -31.321 1.00 35.32 O ATOM 168 CB VAL A 22 8.734 -3.881 -30.295 1.00 61.21 C ATOM 169 CG1 VAL A 22 7.703 -2.927 -29.712 1.00 40.11 C ATOM 170 CG2 VAL A 22 9.845 -4.157 -29.293 1.00 14.54 C ATOM 0 H VAL A 22 8.506 -6.179 -28.934 1.00 53.24 H new ATOM 0 HA VAL A 22 7.128 -4.970 -31.240 1.00 14.50 H new ATOM 0 HB VAL A 22 9.176 -3.407 -31.172 1.00 61.21 H new ATOM 0 HG11 VAL A 22 8.194 -2.003 -29.408 1.00 40.11 H new ATOM 0 HG12 VAL A 22 6.946 -2.705 -30.464 1.00 40.11 H new ATOM 0 HG13 VAL A 22 7.229 -3.388 -28.846 1.00 40.11 H new ATOM 0 HG21 VAL A 22 10.307 -3.216 -28.993 1.00 14.54 H new ATOM 0 HG22 VAL A 22 9.429 -4.653 -28.416 1.00 14.54 H new ATOM 0 HG23 VAL A 22 10.597 -4.800 -29.751 1.00 14.54 H new ATOM 180 N PRO A 23 8.966 -5.515 -32.973 1.00 65.04 N ATOM 181 CA PRO A 23 9.800 -6.117 -34.018 1.00 51.24 C ATOM 182 C PRO A 23 11.279 -5.790 -33.840 1.00 54.05 C ATOM 183 O PRO A 23 11.657 -4.924 -33.052 1.00 1.15 O ATOM 184 CB PRO A 23 9.264 -5.486 -35.306 1.00 61.23 C ATOM 185 CG PRO A 23 8.668 -4.191 -34.874 1.00 74.24 C ATOM 186 CD PRO A 23 8.121 -4.427 -33.493 1.00 62.14 C ATOM 0 HA PRO A 23 9.747 -7.206 -34.006 1.00 51.24 H new ATOM 0 HB2 PRO A 23 10.061 -5.332 -36.033 1.00 61.23 H new ATOM 0 HB3 PRO A 23 8.520 -6.126 -35.780 1.00 61.23 H new ATOM 0 HG2 PRO A 23 9.417 -3.400 -34.867 1.00 74.24 H new ATOM 0 HG3 PRO A 23 7.879 -3.877 -35.558 1.00 74.24 H new ATOM 0 HD2 PRO A 23 8.192 -3.532 -32.874 1.00 62.14 H new ATOM 0 HD3 PRO A 23 7.070 -4.713 -33.521 1.00 62.14 H new ATOM 194 N PRO A 24 12.136 -6.498 -34.590 1.00 44.24 N ATOM 195 CA PRO A 24 13.588 -6.299 -34.534 1.00 33.45 C ATOM 196 C PRO A 24 14.014 -4.963 -35.132 1.00 61.43 C ATOM 197 O PRO A 24 15.126 -4.491 -34.895 1.00 65.22 O ATOM 198 CB PRO A 24 14.137 -7.459 -35.368 1.00 21.10 C ATOM 199 CG PRO A 24 13.031 -7.811 -36.302 1.00 43.22 C ATOM 200 CD PRO A 24 11.755 -7.546 -35.552 1.00 44.10 C ATOM 0 HA PRO A 24 13.958 -6.281 -33.509 1.00 33.45 H new ATOM 0 HB2 PRO A 24 15.035 -7.166 -35.911 1.00 21.10 H new ATOM 0 HB3 PRO A 24 14.408 -8.306 -34.738 1.00 21.10 H new ATOM 0 HG2 PRO A 24 13.082 -7.211 -37.210 1.00 43.22 H new ATOM 0 HG3 PRO A 24 13.095 -8.856 -36.606 1.00 43.22 H new ATOM 0 HD2 PRO A 24 10.960 -7.210 -36.218 1.00 44.10 H new ATOM 0 HD3 PRO A 24 11.392 -8.442 -35.048 1.00 44.10 H new ATOM 208 N THR A 25 13.122 -4.357 -35.910 1.00 4.12 N ATOM 209 CA THR A 25 13.407 -3.075 -36.543 1.00 74.51 C ATOM 210 C THR A 25 13.127 -1.918 -35.592 1.00 11.15 C ATOM 211 O THR A 25 13.858 -0.929 -35.571 1.00 5.43 O ATOM 212 CB THR A 25 12.573 -2.885 -37.824 1.00 41.23 C ATOM 213 OG1 THR A 25 11.812 -4.067 -38.094 1.00 32.30 O ATOM 214 CG2 THR A 25 13.470 -2.571 -39.012 1.00 65.41 C ATOM 0 H THR A 25 12.197 -4.733 -36.117 1.00 4.12 H new ATOM 0 HA THR A 25 14.465 -3.079 -36.804 1.00 74.51 H new ATOM 0 HB THR A 25 11.895 -2.046 -37.668 1.00 41.23 H new ATOM 0 HG1 THR A 25 11.284 -3.937 -38.909 1.00 32.30 H new ATOM 0 HG21 THR A 25 12.859 -2.441 -39.905 1.00 65.41 H new ATOM 0 HG22 THR A 25 14.026 -1.654 -38.816 1.00 65.41 H new ATOM 0 HG23 THR A 25 14.169 -3.393 -39.167 1.00 65.41 H new ATOM 222 N ALA A 26 12.064 -2.049 -34.805 1.00 10.55 N ATOM 223 CA ALA A 26 11.690 -1.014 -33.848 1.00 54.14 C ATOM 224 C ALA A 26 12.801 -0.778 -32.831 1.00 61.14 C ATOM 225 O ALA A 26 13.036 -1.605 -31.949 1.00 51.31 O ATOM 226 CB ALA A 26 10.396 -1.392 -33.142 1.00 2.44 C ATOM 0 H ALA A 26 11.447 -2.861 -34.811 1.00 10.55 H new ATOM 0 HA ALA A 26 11.534 -0.085 -34.397 1.00 54.14 H new ATOM 0 HB1 ALA A 26 10.128 -0.611 -32.430 1.00 2.44 H new ATOM 0 HB2 ALA A 26 9.599 -1.502 -33.877 1.00 2.44 H new ATOM 0 HB3 ALA A 26 10.533 -2.334 -32.612 1.00 2.44 H new ATOM 232 N THR A 27 13.484 0.355 -32.960 1.00 43.12 N ATOM 233 CA THR A 27 14.573 0.699 -32.054 1.00 35.32 C ATOM 234 C THR A 27 14.044 1.363 -30.787 1.00 63.14 C ATOM 235 O THR A 27 12.854 1.660 -30.680 1.00 52.02 O ATOM 236 CB THR A 27 15.589 1.640 -32.728 1.00 21.44 C ATOM 237 OG1 THR A 27 14.942 2.413 -33.744 1.00 71.33 O ATOM 238 CG2 THR A 27 16.736 0.849 -33.338 1.00 24.21 C ATOM 0 H THR A 27 13.302 1.050 -33.684 1.00 43.12 H new ATOM 0 HA THR A 27 15.073 -0.233 -31.791 1.00 35.32 H new ATOM 0 HB THR A 27 15.993 2.308 -31.967 1.00 21.44 H new ATOM 0 HG1 THR A 27 14.862 1.878 -34.561 1.00 71.33 H new ATOM 0 HG21 THR A 27 17.441 1.534 -33.808 1.00 24.21 H new ATOM 0 HG22 THR A 27 17.245 0.285 -32.557 1.00 24.21 H new ATOM 0 HG23 THR A 27 16.345 0.160 -34.087 1.00 24.21 H new ATOM 246 N LEU A 28 14.936 1.594 -29.830 1.00 41.34 N ATOM 247 CA LEU A 28 14.560 2.225 -28.570 1.00 55.00 C ATOM 248 C LEU A 28 14.175 3.685 -28.785 1.00 44.44 C ATOM 249 O LEU A 28 13.183 4.163 -28.237 1.00 20.04 O ATOM 250 CB LEU A 28 15.710 2.131 -27.566 1.00 50.13 C ATOM 251 CG LEU A 28 15.335 1.676 -26.156 1.00 35.13 C ATOM 252 CD1 LEU A 28 16.536 1.058 -25.457 1.00 13.23 C ATOM 253 CD2 LEU A 28 14.786 2.843 -25.347 1.00 23.40 C ATOM 0 H LEU A 28 15.925 1.354 -29.903 1.00 41.34 H new ATOM 0 HA LEU A 28 13.694 1.696 -28.172 1.00 55.00 H new ATOM 0 HB2 LEU A 28 16.456 1.442 -27.962 1.00 50.13 H new ATOM 0 HB3 LEU A 28 16.185 3.109 -27.496 1.00 50.13 H new ATOM 0 HG LEU A 28 14.557 0.917 -26.235 1.00 35.13 H new ATOM 0 HD11 LEU A 28 16.250 0.740 -24.454 1.00 13.23 H new ATOM 0 HD12 LEU A 28 16.884 0.196 -26.026 1.00 13.23 H new ATOM 0 HD13 LEU A 28 17.336 1.795 -25.389 1.00 13.23 H new ATOM 0 HD21 LEU A 28 14.524 2.500 -24.346 1.00 23.40 H new ATOM 0 HD22 LEU A 28 15.542 3.625 -25.277 1.00 23.40 H new ATOM 0 HD23 LEU A 28 13.898 3.240 -25.838 1.00 23.40 H new ATOM 265 N GLU A 29 14.967 4.388 -29.589 1.00 63.05 N ATOM 266 CA GLU A 29 14.708 5.794 -29.878 1.00 64.30 C ATOM 267 C GLU A 29 13.377 5.964 -30.603 1.00 74.12 C ATOM 268 O GLU A 29 12.615 6.887 -30.315 1.00 23.45 O ATOM 269 CB GLU A 29 15.841 6.381 -30.723 1.00 73.35 C ATOM 270 CG GLU A 29 16.351 7.718 -30.213 1.00 62.31 C ATOM 271 CD GLU A 29 17.865 7.788 -30.176 1.00 4.23 C ATOM 272 OE1 GLU A 29 18.492 7.634 -31.245 1.00 24.22 O ATOM 273 OE2 GLU A 29 18.423 7.997 -29.078 1.00 43.34 O ATOM 0 H GLU A 29 15.793 4.007 -30.051 1.00 63.05 H new ATOM 0 HA GLU A 29 14.656 6.330 -28.930 1.00 64.30 H new ATOM 0 HB2 GLU A 29 16.668 5.672 -30.749 1.00 73.35 H new ATOM 0 HB3 GLU A 29 15.493 6.502 -31.749 1.00 73.35 H new ATOM 0 HG2 GLU A 29 15.969 8.516 -30.851 1.00 62.31 H new ATOM 0 HG3 GLU A 29 15.958 7.895 -29.212 1.00 62.31 H new ATOM 280 N GLN A 30 13.104 5.067 -31.546 1.00 1.51 N ATOM 281 CA GLN A 30 11.865 5.119 -32.313 1.00 43.23 C ATOM 282 C GLN A 30 10.659 4.860 -31.417 1.00 53.23 C ATOM 283 O GLN A 30 9.641 5.547 -31.514 1.00 41.43 O ATOM 284 CB GLN A 30 11.901 4.095 -33.449 1.00 42.42 C ATOM 285 CG GLN A 30 10.687 4.157 -34.362 1.00 64.13 C ATOM 286 CD GLN A 30 11.040 3.923 -35.818 1.00 73.21 C ATOM 287 OE1 GLN A 30 10.683 4.715 -36.690 1.00 41.53 O ATOM 288 NE2 GLN A 30 11.744 2.830 -36.089 1.00 10.13 N ATOM 0 H GLN A 30 13.724 4.297 -31.797 1.00 1.51 H new ATOM 0 HA GLN A 30 11.771 6.119 -32.737 1.00 43.23 H new ATOM 0 HB2 GLN A 30 12.801 4.255 -34.043 1.00 42.42 H new ATOM 0 HB3 GLN A 30 11.974 3.094 -33.023 1.00 42.42 H new ATOM 0 HG2 GLN A 30 9.959 3.410 -34.044 1.00 64.13 H new ATOM 0 HG3 GLN A 30 10.209 5.131 -34.260 1.00 64.13 H new ATOM 0 HE21 GLN A 30 12.019 2.201 -35.335 1.00 10.13 H new ATOM 0 HE22 GLN A 30 12.010 2.620 -37.051 1.00 10.13 H new ATOM 297 N LEU A 31 10.778 3.865 -30.546 1.00 23.13 N ATOM 298 CA LEU A 31 9.697 3.514 -29.632 1.00 12.34 C ATOM 299 C LEU A 31 9.364 4.682 -28.709 1.00 14.23 C ATOM 300 O LEU A 31 8.200 5.058 -28.559 1.00 64.20 O ATOM 301 CB LEU A 31 10.081 2.288 -28.802 1.00 71.43 C ATOM 302 CG LEU A 31 9.116 1.103 -28.869 1.00 41.22 C ATOM 303 CD1 LEU A 31 9.631 -0.053 -28.026 1.00 41.01 C ATOM 304 CD2 LEU A 31 7.726 1.521 -28.412 1.00 41.24 C ATOM 0 H LEU A 31 11.613 3.286 -30.453 1.00 23.13 H new ATOM 0 HA LEU A 31 8.814 3.280 -30.227 1.00 12.34 H new ATOM 0 HB2 LEU A 31 11.065 1.948 -29.126 1.00 71.43 H new ATOM 0 HB3 LEU A 31 10.177 2.595 -27.760 1.00 71.43 H new ATOM 0 HG LEU A 31 9.051 0.770 -29.905 1.00 41.22 H new ATOM 0 HD11 LEU A 31 8.932 -0.887 -28.086 1.00 41.01 H new ATOM 0 HD12 LEU A 31 10.605 -0.369 -28.399 1.00 41.01 H new ATOM 0 HD13 LEU A 31 9.726 0.267 -26.988 1.00 41.01 H new ATOM 0 HD21 LEU A 31 7.053 0.666 -28.466 1.00 41.24 H new ATOM 0 HD22 LEU A 31 7.774 1.881 -27.384 1.00 41.24 H new ATOM 0 HD23 LEU A 31 7.355 2.317 -29.058 1.00 41.24 H new ATOM 316 N THR A 32 10.393 5.255 -28.092 1.00 51.25 N ATOM 317 CA THR A 32 10.210 6.381 -27.185 1.00 42.02 C ATOM 318 C THR A 32 9.577 7.568 -27.902 1.00 74.33 C ATOM 319 O THR A 32 8.657 8.199 -27.383 1.00 30.14 O ATOM 320 CB THR A 32 11.548 6.825 -26.565 1.00 2.52 C ATOM 321 OG1 THR A 32 12.257 5.688 -26.061 1.00 74.51 O ATOM 322 CG2 THR A 32 11.318 7.824 -25.441 1.00 2.33 C ATOM 0 H THR A 32 11.362 4.957 -28.204 1.00 51.25 H new ATOM 0 HA THR A 32 9.544 6.042 -26.391 1.00 42.02 H new ATOM 0 HB THR A 32 12.141 7.306 -27.343 1.00 2.52 H new ATOM 0 HG1 THR A 32 12.665 5.200 -26.807 1.00 74.51 H new ATOM 0 HG21 THR A 32 12.277 8.123 -25.018 1.00 2.33 H new ATOM 0 HG22 THR A 32 10.805 8.702 -25.834 1.00 2.33 H new ATOM 0 HG23 THR A 32 10.707 7.364 -24.664 1.00 2.33 H new ATOM 330 N GLU A 33 10.074 7.865 -29.099 1.00 22.04 N ATOM 331 CA GLU A 33 9.555 8.977 -29.886 1.00 42.02 C ATOM 332 C GLU A 33 8.063 8.805 -30.153 1.00 73.34 C ATOM 333 O GLU A 33 7.257 9.674 -29.822 1.00 12.40 O ATOM 334 CB GLU A 33 10.312 9.089 -31.211 1.00 41.53 C ATOM 335 CG GLU A 33 10.503 10.521 -31.684 1.00 32.03 C ATOM 336 CD GLU A 33 11.693 10.676 -32.611 1.00 33.32 C ATOM 337 OE1 GLU A 33 12.065 9.681 -33.268 1.00 42.10 O ATOM 338 OE2 GLU A 33 12.251 11.790 -32.679 1.00 44.31 O ATOM 0 H GLU A 33 10.835 7.351 -29.544 1.00 22.04 H new ATOM 0 HA GLU A 33 9.700 9.893 -29.314 1.00 42.02 H new ATOM 0 HB2 GLU A 33 11.289 8.618 -31.103 1.00 41.53 H new ATOM 0 HB3 GLU A 33 9.772 8.531 -31.976 1.00 41.53 H new ATOM 0 HG2 GLU A 33 9.601 10.853 -32.198 1.00 32.03 H new ATOM 0 HG3 GLU A 33 10.634 11.171 -30.819 1.00 32.03 H new ATOM 345 N PHE A 34 7.702 7.676 -30.756 1.00 11.33 N ATOM 346 CA PHE A 34 6.307 7.389 -31.069 1.00 40.55 C ATOM 347 C PHE A 34 5.436 7.496 -29.821 1.00 53.23 C ATOM 348 O PHE A 34 4.354 8.084 -29.854 1.00 23.22 O ATOM 349 CB PHE A 34 6.176 5.992 -31.679 1.00 22.05 C ATOM 350 CG PHE A 34 6.401 5.962 -33.163 1.00 60.33 C ATOM 351 CD1 PHE A 34 7.571 6.462 -33.710 1.00 43.54 C ATOM 352 CD2 PHE A 34 5.442 5.433 -34.012 1.00 32.11 C ATOM 353 CE1 PHE A 34 7.782 6.436 -35.076 1.00 74.23 C ATOM 354 CE2 PHE A 34 5.647 5.403 -35.378 1.00 53.13 C ATOM 355 CZ PHE A 34 6.817 5.906 -35.911 1.00 44.33 C ATOM 0 H PHE A 34 8.356 6.946 -31.037 1.00 11.33 H new ATOM 0 HA PHE A 34 5.964 8.127 -31.794 1.00 40.55 H new ATOM 0 HB2 PHE A 34 6.892 5.326 -31.198 1.00 22.05 H new ATOM 0 HB3 PHE A 34 5.182 5.602 -31.462 1.00 22.05 H new ATOM 0 HD1 PHE A 34 8.328 6.877 -33.061 1.00 43.54 H new ATOM 0 HD2 PHE A 34 4.524 5.040 -33.601 1.00 32.11 H new ATOM 0 HE1 PHE A 34 8.699 6.829 -35.490 1.00 74.23 H new ATOM 0 HE2 PHE A 34 4.892 4.986 -36.029 1.00 53.13 H new ATOM 0 HZ PHE A 34 6.978 5.885 -36.979 1.00 44.33 H new ATOM 365 N PHE A 35 5.915 6.923 -28.722 1.00 55.21 N ATOM 366 CA PHE A 35 5.180 6.952 -27.463 1.00 34.21 C ATOM 367 C PHE A 35 4.833 8.384 -27.068 1.00 1.32 C ATOM 368 O PHE A 35 3.670 8.710 -26.828 1.00 24.51 O ATOM 369 CB PHE A 35 6.000 6.289 -26.354 1.00 52.21 C ATOM 370 CG PHE A 35 5.408 5.000 -25.860 1.00 3.24 C ATOM 371 CD1 PHE A 35 4.173 4.985 -25.232 1.00 2.11 C ATOM 372 CD2 PHE A 35 6.088 3.804 -26.022 1.00 33.41 C ATOM 373 CE1 PHE A 35 3.626 3.801 -24.776 1.00 33.40 C ATOM 374 CE2 PHE A 35 5.545 2.616 -25.569 1.00 2.15 C ATOM 375 CZ PHE A 35 4.313 2.615 -24.944 1.00 23.33 C ATOM 0 H PHE A 35 6.809 6.433 -28.678 1.00 55.21 H new ATOM 0 HA PHE A 35 4.252 6.397 -27.600 1.00 34.21 H new ATOM 0 HB2 PHE A 35 7.008 6.099 -26.723 1.00 52.21 H new ATOM 0 HB3 PHE A 35 6.092 6.982 -25.517 1.00 52.21 H new ATOM 0 HD1 PHE A 35 3.632 5.910 -25.097 1.00 2.11 H new ATOM 0 HD2 PHE A 35 7.053 3.800 -26.507 1.00 33.41 H new ATOM 0 HE1 PHE A 35 2.662 3.803 -24.289 1.00 33.40 H new ATOM 0 HE2 PHE A 35 6.084 1.690 -25.704 1.00 2.15 H new ATOM 0 HZ PHE A 35 3.888 1.688 -24.587 1.00 23.33 H new ATOM 385 N SER A 36 5.851 9.236 -27.002 1.00 2.32 N ATOM 386 CA SER A 36 5.656 10.633 -26.632 1.00 1.24 C ATOM 387 C SER A 36 4.662 11.310 -27.570 1.00 51.21 C ATOM 388 O SER A 36 3.924 12.210 -27.168 1.00 50.12 O ATOM 389 CB SER A 36 6.991 11.381 -26.658 1.00 55.15 C ATOM 390 OG SER A 36 7.599 11.385 -25.379 1.00 13.25 O ATOM 0 H SER A 36 6.819 8.983 -27.200 1.00 2.32 H new ATOM 0 HA SER A 36 5.251 10.662 -25.620 1.00 1.24 H new ATOM 0 HB2 SER A 36 7.660 10.913 -27.380 1.00 55.15 H new ATOM 0 HB3 SER A 36 6.830 12.406 -26.991 1.00 55.15 H new ATOM 0 HG SER A 36 8.451 11.867 -25.423 1.00 13.25 H new ATOM 396 N LYS A 37 4.648 10.871 -28.824 1.00 21.31 N ATOM 397 CA LYS A 37 3.745 11.431 -29.822 1.00 12.32 C ATOM 398 C LYS A 37 2.289 11.195 -29.432 1.00 62.52 C ATOM 399 O LYS A 37 1.428 12.044 -29.664 1.00 70.32 O ATOM 400 CB LYS A 37 4.023 10.815 -31.195 1.00 11.22 C ATOM 401 CG LYS A 37 3.928 11.810 -32.338 1.00 42.34 C ATOM 402 CD LYS A 37 2.988 11.321 -33.427 1.00 70.21 C ATOM 403 CE LYS A 37 3.527 10.073 -34.110 1.00 3.22 C ATOM 404 NZ LYS A 37 3.444 10.173 -35.593 1.00 61.23 N ATOM 0 H LYS A 37 5.253 10.128 -29.174 1.00 21.31 H new ATOM 0 HA LYS A 37 3.920 12.506 -29.871 1.00 12.32 H new ATOM 0 HB2 LYS A 37 5.019 10.373 -31.191 1.00 11.22 H new ATOM 0 HB3 LYS A 37 3.316 10.004 -31.370 1.00 11.22 H new ATOM 0 HG2 LYS A 37 3.578 12.770 -31.958 1.00 42.34 H new ATOM 0 HG3 LYS A 37 4.919 11.977 -32.760 1.00 42.34 H new ATOM 0 HD2 LYS A 37 2.010 11.107 -32.996 1.00 70.21 H new ATOM 0 HD3 LYS A 37 2.845 12.109 -34.167 1.00 70.21 H new ATOM 0 HE2 LYS A 37 4.564 9.916 -33.814 1.00 3.22 H new ATOM 0 HE3 LYS A 37 2.964 9.203 -33.773 1.00 3.22 H new ATOM 0 HZ1 LYS A 37 3.821 9.303 -36.021 1.00 61.23 H new ATOM 0 HZ2 LYS A 37 2.451 10.297 -35.878 1.00 61.23 H new ATOM 0 HZ3 LYS A 37 4.002 10.989 -35.918 1.00 61.23 H new ATOM 418 N HIS A 38 2.021 10.036 -28.838 1.00 2.24 N ATOM 419 CA HIS A 38 0.669 9.689 -28.414 1.00 4.23 C ATOM 420 C HIS A 38 0.698 8.844 -27.144 1.00 4.55 C ATOM 421 O HIS A 38 1.131 7.693 -27.162 1.00 3.14 O ATOM 422 CB HIS A 38 -0.058 8.934 -29.526 1.00 75.20 C ATOM 423 CG HIS A 38 -1.550 8.974 -29.400 1.00 54.15 C ATOM 424 ND1 HIS A 38 -2.281 10.141 -29.481 1.00 31.24 N ATOM 425 CD2 HIS A 38 -2.449 7.982 -29.201 1.00 72.12 C ATOM 426 CE1 HIS A 38 -3.565 9.865 -29.334 1.00 63.32 C ATOM 427 NE2 HIS A 38 -3.694 8.561 -29.164 1.00 3.34 N ATOM 0 H HIS A 38 2.722 9.322 -28.640 1.00 2.24 H new ATOM 0 HA HIS A 38 0.132 10.614 -28.202 1.00 4.23 H new ATOM 0 HB2 HIS A 38 0.229 9.357 -30.489 1.00 75.20 H new ATOM 0 HB3 HIS A 38 0.271 7.895 -29.524 1.00 75.20 H new ATOM 0 HD2 HIS A 38 -2.228 6.930 -29.092 1.00 72.12 H new ATOM 0 HE1 HIS A 38 -4.372 10.583 -29.350 1.00 63.32 H new ATOM 0 HE2 HIS A 38 -4.575 8.065 -29.028 1.00 3.34 H new ATOM 435 N GLY A 39 0.235 9.426 -26.041 1.00 71.30 N ATOM 436 CA GLY A 39 0.218 8.712 -24.777 1.00 54.25 C ATOM 437 C GLY A 39 1.386 9.084 -23.886 1.00 33.12 C ATOM 438 O GLY A 39 2.508 9.259 -24.360 1.00 45.44 O ATOM 0 H GLY A 39 -0.128 10.378 -26.000 1.00 71.30 H new ATOM 0 HA2 GLY A 39 -0.715 8.925 -24.255 1.00 54.25 H new ATOM 0 HA3 GLY A 39 0.238 7.639 -24.969 1.00 54.25 H new ATOM 442 N THR A 40 1.122 9.206 -22.588 1.00 44.44 N ATOM 443 CA THR A 40 2.160 9.563 -21.628 1.00 75.54 C ATOM 444 C THR A 40 2.481 8.392 -20.706 1.00 74.13 C ATOM 445 O THR A 40 1.651 7.983 -19.894 1.00 3.15 O ATOM 446 CB THR A 40 1.742 10.775 -20.774 1.00 61.43 C ATOM 447 OG1 THR A 40 0.672 11.480 -21.414 1.00 24.40 O ATOM 448 CG2 THR A 40 2.918 11.715 -20.558 1.00 61.10 C ATOM 0 H THR A 40 0.199 9.063 -22.178 1.00 44.44 H new ATOM 0 HA THR A 40 3.048 9.823 -22.204 1.00 75.54 H new ATOM 0 HB THR A 40 1.406 10.410 -19.804 1.00 61.43 H new ATOM 0 HG1 THR A 40 0.411 12.248 -20.864 1.00 24.40 H new ATOM 0 HG21 THR A 40 2.599 12.563 -19.952 1.00 61.10 H new ATOM 0 HG22 THR A 40 3.719 11.183 -20.045 1.00 61.10 H new ATOM 0 HG23 THR A 40 3.280 12.073 -21.522 1.00 61.10 H new ATOM 456 N VAL A 41 3.690 7.856 -20.837 1.00 1.11 N ATOM 457 CA VAL A 41 4.122 6.733 -20.014 1.00 33.14 C ATOM 458 C VAL A 41 5.269 7.135 -19.094 1.00 22.32 C ATOM 459 O VAL A 41 6.087 7.986 -19.442 1.00 31.12 O ATOM 460 CB VAL A 41 4.567 5.540 -20.880 1.00 74.03 C ATOM 461 CG1 VAL A 41 3.363 4.872 -21.528 1.00 43.22 C ATOM 462 CG2 VAL A 41 5.568 5.991 -21.933 1.00 54.03 C ATOM 0 H VAL A 41 4.388 8.182 -21.506 1.00 1.11 H new ATOM 0 HA VAL A 41 3.264 6.434 -19.411 1.00 33.14 H new ATOM 0 HB VAL A 41 5.056 4.808 -20.237 1.00 74.03 H new ATOM 0 HG11 VAL A 41 3.697 4.031 -22.136 1.00 43.22 H new ATOM 0 HG12 VAL A 41 2.685 4.513 -20.753 1.00 43.22 H new ATOM 0 HG13 VAL A 41 2.843 5.593 -22.159 1.00 43.22 H new ATOM 0 HG21 VAL A 41 5.872 5.135 -22.536 1.00 54.03 H new ATOM 0 HG22 VAL A 41 5.107 6.742 -22.575 1.00 54.03 H new ATOM 0 HG23 VAL A 41 6.443 6.419 -21.444 1.00 54.03 H new ATOM 472 N GLN A 42 5.323 6.516 -17.919 1.00 30.32 N ATOM 473 CA GLN A 42 6.371 6.809 -16.948 1.00 51.55 C ATOM 474 C GLN A 42 7.670 6.100 -17.318 1.00 55.43 C ATOM 475 O GLN A 42 8.723 6.728 -17.424 1.00 14.23 O ATOM 476 CB GLN A 42 5.928 6.390 -15.546 1.00 25.14 C ATOM 477 CG GLN A 42 6.542 7.231 -14.437 1.00 75.34 C ATOM 478 CD GLN A 42 6.839 6.424 -13.189 1.00 62.42 C ATOM 479 OE1 GLN A 42 6.223 5.385 -12.946 1.00 4.43 O ATOM 480 NE2 GLN A 42 7.788 6.897 -12.390 1.00 11.22 N ATOM 0 H GLN A 42 4.653 5.809 -17.616 1.00 30.32 H new ATOM 0 HA GLN A 42 6.550 7.884 -16.958 1.00 51.55 H new ATOM 0 HB2 GLN A 42 4.842 6.456 -15.482 1.00 25.14 H new ATOM 0 HB3 GLN A 42 6.193 5.345 -15.387 1.00 25.14 H new ATOM 0 HG2 GLN A 42 7.464 7.686 -14.799 1.00 75.34 H new ATOM 0 HG3 GLN A 42 5.863 8.045 -14.185 1.00 75.34 H new ATOM 0 HE21 GLN A 42 8.273 7.762 -12.630 1.00 11.22 H new ATOM 0 HE22 GLN A 42 8.032 6.396 -11.536 1.00 11.22 H new ATOM 489 N ALA A 43 7.587 4.788 -17.514 1.00 14.43 N ATOM 490 CA ALA A 43 8.755 3.994 -17.873 1.00 52.33 C ATOM 491 C ALA A 43 8.345 2.687 -18.543 1.00 20.14 C ATOM 492 O ALA A 43 7.194 2.262 -18.445 1.00 73.00 O ATOM 493 CB ALA A 43 9.603 3.716 -16.641 1.00 61.43 C ATOM 0 H ALA A 43 6.723 4.253 -17.430 1.00 14.43 H new ATOM 0 HA ALA A 43 9.348 4.566 -18.586 1.00 52.33 H new ATOM 0 HB1 ALA A 43 10.472 3.122 -16.924 1.00 61.43 H new ATOM 0 HB2 ALA A 43 9.934 4.659 -16.207 1.00 61.43 H new ATOM 0 HB3 ALA A 43 9.011 3.167 -15.908 1.00 61.43 H new ATOM 499 N VAL A 44 9.295 2.053 -19.223 1.00 74.14 N ATOM 500 CA VAL A 44 9.032 0.793 -19.909 1.00 2.11 C ATOM 501 C VAL A 44 10.262 -0.107 -19.894 1.00 64.22 C ATOM 502 O VAL A 44 11.393 0.369 -19.993 1.00 24.24 O ATOM 503 CB VAL A 44 8.599 1.028 -21.368 1.00 72.12 C ATOM 504 CG1 VAL A 44 9.644 1.846 -22.111 1.00 24.31 C ATOM 505 CG2 VAL A 44 8.351 -0.299 -22.070 1.00 14.22 C ATOM 0 H VAL A 44 10.253 2.391 -19.314 1.00 74.14 H new ATOM 0 HA VAL A 44 8.220 0.303 -19.372 1.00 2.11 H new ATOM 0 HB VAL A 44 7.666 1.592 -21.365 1.00 72.12 H new ATOM 0 HG11 VAL A 44 9.320 2.002 -23.140 1.00 24.31 H new ATOM 0 HG12 VAL A 44 9.767 2.811 -21.620 1.00 24.31 H new ATOM 0 HG13 VAL A 44 10.594 1.312 -22.107 1.00 24.31 H new ATOM 0 HG21 VAL A 44 8.046 -0.114 -23.100 1.00 14.22 H new ATOM 0 HG22 VAL A 44 9.266 -0.891 -22.063 1.00 14.22 H new ATOM 0 HG23 VAL A 44 7.563 -0.844 -21.550 1.00 14.22 H new ATOM 515 N TRP A 45 10.034 -1.410 -19.771 1.00 53.52 N ATOM 516 CA TRP A 45 11.124 -2.378 -19.744 1.00 44.41 C ATOM 517 C TRP A 45 10.617 -3.779 -20.067 1.00 51.54 C ATOM 518 O TRP A 45 9.410 -4.006 -20.159 1.00 4.32 O ATOM 519 CB TRP A 45 11.805 -2.372 -18.374 1.00 40.34 C ATOM 520 CG TRP A 45 13.054 -1.543 -18.335 1.00 74.41 C ATOM 521 CD1 TRP A 45 14.165 -1.699 -19.113 1.00 24.43 C ATOM 522 CD2 TRP A 45 13.318 -0.432 -17.472 1.00 53.12 C ATOM 523 NE1 TRP A 45 15.105 -0.752 -18.785 1.00 52.32 N ATOM 524 CE2 TRP A 45 14.609 0.039 -17.782 1.00 72.43 C ATOM 525 CE3 TRP A 45 12.589 0.213 -16.470 1.00 13.14 C ATOM 526 CZ2 TRP A 45 15.184 1.122 -17.124 1.00 12.31 C ATOM 527 CZ3 TRP A 45 13.161 1.288 -15.817 1.00 0.41 C ATOM 528 CH2 TRP A 45 14.448 1.735 -16.146 1.00 73.25 C ATOM 0 H TRP A 45 9.104 -1.820 -19.688 1.00 53.52 H new ATOM 0 HA TRP A 45 11.850 -2.091 -20.504 1.00 44.41 H new ATOM 0 HB2 TRP A 45 11.104 -1.995 -17.629 1.00 40.34 H new ATOM 0 HB3 TRP A 45 12.049 -3.397 -18.093 1.00 40.34 H new ATOM 0 HD1 TRP A 45 14.287 -2.455 -19.874 1.00 24.43 H new ATOM 0 HE1 TRP A 45 16.023 -0.654 -19.218 1.00 52.32 H new ATOM 0 HE3 TRP A 45 11.596 -0.123 -16.210 1.00 13.14 H new ATOM 0 HZ2 TRP A 45 16.176 1.467 -17.376 1.00 12.31 H new ATOM 0 HZ3 TRP A 45 12.607 1.793 -15.040 1.00 0.41 H new ATOM 0 HH2 TRP A 45 14.867 2.579 -15.618 1.00 73.25 H new ATOM 539 N ARG A 46 11.545 -4.714 -20.239 1.00 72.40 N ATOM 540 CA ARG A 46 11.190 -6.093 -20.553 1.00 62.30 C ATOM 541 C ARG A 46 12.345 -7.038 -20.232 1.00 73.12 C ATOM 542 O ARG A 46 13.513 -6.686 -20.399 1.00 75.12 O ATOM 543 CB ARG A 46 10.808 -6.221 -22.029 1.00 0.51 C ATOM 544 CG ARG A 46 11.906 -5.779 -22.983 1.00 11.44 C ATOM 545 CD ARG A 46 11.844 -4.283 -23.249 1.00 13.21 C ATOM 546 NE ARG A 46 11.650 -3.987 -24.666 1.00 1.31 N ATOM 547 CZ ARG A 46 11.937 -2.813 -25.217 1.00 40.23 C ATOM 548 NH1 ARG A 46 12.428 -1.830 -24.475 1.00 22.22 N ATOM 549 NH2 ARG A 46 11.733 -2.620 -26.514 1.00 42.02 N ATOM 0 H ARG A 46 12.548 -4.542 -20.166 1.00 72.40 H new ATOM 0 HA ARG A 46 10.334 -6.370 -19.938 1.00 62.30 H new ATOM 0 HB2 ARG A 46 10.551 -7.259 -22.240 1.00 0.51 H new ATOM 0 HB3 ARG A 46 9.914 -5.627 -22.217 1.00 0.51 H new ATOM 0 HG2 ARG A 46 12.879 -6.035 -22.563 1.00 11.44 H new ATOM 0 HG3 ARG A 46 11.812 -6.321 -23.924 1.00 11.44 H new ATOM 0 HD2 ARG A 46 11.029 -3.846 -22.672 1.00 13.21 H new ATOM 0 HD3 ARG A 46 12.766 -3.815 -22.904 1.00 13.21 H new ATOM 0 HE ARG A 46 11.274 -4.722 -25.265 1.00 1.31 H new ATOM 0 HH11 ARG A 46 12.586 -1.974 -23.478 1.00 22.22 H new ATOM 0 HH12 ARG A 46 12.647 -0.930 -24.901 1.00 22.22 H new ATOM 0 HH21 ARG A 46 11.356 -3.374 -27.089 1.00 42.02 H new ATOM 0 HH22 ARG A 46 11.954 -1.718 -26.936 1.00 42.02 H new ATOM 563 N ARG A 47 12.009 -8.238 -19.770 1.00 63.35 N ATOM 564 CA ARG A 47 13.018 -9.233 -19.425 1.00 13.14 C ATOM 565 C ARG A 47 12.544 -10.637 -19.789 1.00 12.12 C ATOM 566 O ARG A 47 11.347 -10.877 -19.948 1.00 72.23 O ATOM 567 CB ARG A 47 13.342 -9.164 -17.931 1.00 55.21 C ATOM 568 CG ARG A 47 12.163 -9.508 -17.036 1.00 15.14 C ATOM 569 CD ARG A 47 11.692 -8.298 -16.244 1.00 5.41 C ATOM 570 NE ARG A 47 11.161 -8.672 -14.936 1.00 52.12 N ATOM 571 CZ ARG A 47 10.798 -7.791 -14.011 1.00 13.31 C ATOM 572 NH1 ARG A 47 10.908 -6.491 -14.249 1.00 30.11 N ATOM 573 NH2 ARG A 47 10.322 -8.209 -12.845 1.00 25.12 N ATOM 0 H ARG A 47 11.047 -8.545 -19.626 1.00 63.35 H new ATOM 0 HA ARG A 47 13.920 -9.013 -19.997 1.00 13.14 H new ATOM 0 HB2 ARG A 47 14.163 -9.847 -17.714 1.00 55.21 H new ATOM 0 HB3 ARG A 47 13.690 -8.160 -17.689 1.00 55.21 H new ATOM 0 HG2 ARG A 47 11.342 -9.888 -17.644 1.00 15.14 H new ATOM 0 HG3 ARG A 47 12.447 -10.306 -16.349 1.00 15.14 H new ATOM 0 HD2 ARG A 47 12.523 -7.605 -16.113 1.00 5.41 H new ATOM 0 HD3 ARG A 47 10.924 -7.771 -16.810 1.00 5.41 H new ATOM 0 HE ARG A 47 11.064 -9.664 -14.721 1.00 52.12 H new ATOM 0 HH11 ARG A 47 11.272 -6.165 -15.144 1.00 30.11 H new ATOM 0 HH12 ARG A 47 10.628 -5.817 -13.537 1.00 30.11 H new ATOM 0 HH21 ARG A 47 10.235 -9.208 -12.658 1.00 25.12 H new ATOM 0 HH22 ARG A 47 10.044 -7.531 -12.135 1.00 25.12 H new ATOM 587 N TYR A 48 13.490 -11.560 -19.919 1.00 43.42 N ATOM 588 CA TYR A 48 13.170 -12.939 -20.268 1.00 3.14 C ATOM 589 C TYR A 48 14.098 -13.912 -19.547 1.00 20.13 C ATOM 590 O TYR A 48 15.318 -13.855 -19.701 1.00 2.11 O ATOM 591 CB TYR A 48 13.275 -13.142 -21.780 1.00 20.41 C ATOM 592 CG TYR A 48 14.531 -12.557 -22.384 1.00 41.42 C ATOM 593 CD1 TYR A 48 15.661 -13.341 -22.582 1.00 41.23 C ATOM 594 CD2 TYR A 48 14.589 -11.219 -22.756 1.00 74.32 C ATOM 595 CE1 TYR A 48 16.811 -12.810 -23.133 1.00 43.15 C ATOM 596 CE2 TYR A 48 15.734 -10.680 -23.309 1.00 71.33 C ATOM 597 CZ TYR A 48 16.843 -11.479 -23.496 1.00 34.42 C ATOM 598 OH TYR A 48 17.986 -10.946 -24.045 1.00 51.12 O ATOM 0 H TYR A 48 14.485 -11.378 -19.788 1.00 43.42 H new ATOM 0 HA TYR A 48 12.146 -13.139 -19.952 1.00 3.14 H new ATOM 0 HB2 TYR A 48 13.240 -14.209 -21.998 1.00 20.41 H new ATOM 0 HB3 TYR A 48 12.407 -12.690 -22.260 1.00 20.41 H new ATOM 0 HD1 TYR A 48 15.640 -14.383 -22.300 1.00 41.23 H new ATOM 0 HD2 TYR A 48 13.723 -10.590 -22.610 1.00 74.32 H new ATOM 0 HE1 TYR A 48 17.681 -13.433 -23.279 1.00 43.15 H new ATOM 0 HE2 TYR A 48 15.761 -9.639 -23.594 1.00 71.33 H new ATOM 0 HH TYR A 48 17.841 -9.998 -24.245 1.00 51.12 H new ATOM 608 N PHE A 49 13.510 -14.806 -18.759 1.00 30.22 N ATOM 609 CA PHE A 49 14.282 -15.793 -18.013 1.00 1.02 C ATOM 610 C PHE A 49 14.566 -17.023 -18.870 1.00 44.44 C ATOM 611 O PHE A 49 13.648 -17.659 -19.386 1.00 32.15 O ATOM 612 CB PHE A 49 13.533 -16.205 -16.744 1.00 1.54 C ATOM 613 CG PHE A 49 14.148 -15.666 -15.483 1.00 71.14 C ATOM 614 CD1 PHE A 49 13.489 -14.709 -14.730 1.00 12.45 C ATOM 615 CD2 PHE A 49 15.385 -16.117 -15.053 1.00 64.11 C ATOM 616 CE1 PHE A 49 14.052 -14.211 -13.569 1.00 74.21 C ATOM 617 CE2 PHE A 49 15.953 -15.624 -13.894 1.00 11.25 C ATOM 618 CZ PHE A 49 15.286 -14.669 -13.151 1.00 52.13 C ATOM 0 H PHE A 49 12.501 -14.867 -18.620 1.00 30.22 H new ATOM 0 HA PHE A 49 15.233 -15.338 -17.735 1.00 1.02 H new ATOM 0 HB2 PHE A 49 12.501 -15.859 -16.812 1.00 1.54 H new ATOM 0 HB3 PHE A 49 13.502 -17.293 -16.687 1.00 1.54 H new ATOM 0 HD1 PHE A 49 12.524 -14.347 -15.053 1.00 12.45 H new ATOM 0 HD2 PHE A 49 15.912 -16.863 -15.630 1.00 64.11 H new ATOM 0 HE1 PHE A 49 13.527 -13.465 -12.990 1.00 74.21 H new ATOM 0 HE2 PHE A 49 16.918 -15.985 -13.569 1.00 11.25 H new ATOM 0 HZ PHE A 49 15.729 -14.282 -12.245 1.00 52.13 H new ATOM 628 N ALA A 50 15.846 -17.350 -19.019 1.00 51.00 N ATOM 629 CA ALA A 50 16.252 -18.503 -19.812 1.00 61.34 C ATOM 630 C ALA A 50 16.214 -19.782 -18.982 1.00 53.21 C ATOM 631 O ALA A 50 15.995 -20.871 -19.511 1.00 54.31 O ATOM 632 CB ALA A 50 17.645 -18.286 -20.386 1.00 14.55 C ATOM 0 H ALA A 50 16.619 -16.832 -18.601 1.00 51.00 H new ATOM 0 HA ALA A 50 15.545 -18.613 -20.634 1.00 61.34 H new ATOM 0 HB1 ALA A 50 17.935 -19.155 -20.976 1.00 14.55 H new ATOM 0 HB2 ALA A 50 17.643 -17.401 -21.022 1.00 14.55 H new ATOM 0 HB3 ALA A 50 18.356 -18.146 -19.572 1.00 14.55 H new ATOM 638 N GLY A 51 16.429 -19.642 -17.677 1.00 50.35 N ATOM 639 CA GLY A 51 16.415 -20.794 -16.795 1.00 45.05 C ATOM 640 C GLY A 51 17.765 -21.480 -16.717 1.00 1.44 C ATOM 641 O GLY A 51 18.233 -22.061 -17.696 1.00 32.42 O ATOM 0 H GLY A 51 16.613 -18.751 -17.215 1.00 50.35 H new ATOM 0 HA2 GLY A 51 16.112 -20.480 -15.796 1.00 45.05 H new ATOM 0 HA3 GLY A 51 15.668 -21.507 -17.145 1.00 45.05 H new ATOM 645 N LYS A 52 18.395 -21.411 -15.549 1.00 14.34 N ATOM 646 CA LYS A 52 19.699 -22.029 -15.344 1.00 42.03 C ATOM 647 C LYS A 52 19.753 -22.756 -14.004 1.00 50.14 C ATOM 648 O LYS A 52 20.644 -22.513 -13.190 1.00 15.13 O ATOM 649 CB LYS A 52 20.803 -20.971 -15.407 1.00 63.14 C ATOM 650 CG LYS A 52 22.123 -21.500 -15.942 1.00 73.24 C ATOM 651 CD LYS A 52 22.039 -21.806 -17.428 1.00 64.05 C ATOM 652 CE LYS A 52 23.328 -21.436 -18.147 1.00 22.43 C ATOM 653 NZ LYS A 52 24.471 -22.283 -17.706 1.00 3.34 N ATOM 0 H LYS A 52 18.022 -20.932 -14.729 1.00 14.34 H new ATOM 0 HA LYS A 52 19.856 -22.758 -16.139 1.00 42.03 H new ATOM 0 HB2 LYS A 52 20.469 -20.147 -16.037 1.00 63.14 H new ATOM 0 HB3 LYS A 52 20.962 -20.564 -14.408 1.00 63.14 H new ATOM 0 HG2 LYS A 52 22.909 -20.766 -15.764 1.00 73.24 H new ATOM 0 HG3 LYS A 52 22.401 -22.403 -15.399 1.00 73.24 H new ATOM 0 HD2 LYS A 52 21.833 -22.867 -17.571 1.00 64.05 H new ATOM 0 HD3 LYS A 52 21.206 -21.257 -17.867 1.00 64.05 H new ATOM 0 HE2 LYS A 52 23.188 -21.545 -19.222 1.00 22.43 H new ATOM 0 HE3 LYS A 52 23.560 -20.387 -17.961 1.00 22.43 H new ATOM 0 HZ1 LYS A 52 25.327 -22.012 -18.231 1.00 3.34 H new ATOM 0 HZ2 LYS A 52 24.631 -22.147 -16.688 1.00 3.34 H new ATOM 0 HZ3 LYS A 52 24.254 -23.283 -17.891 1.00 3.34 H new ATOM 667 N LYS A 53 18.795 -23.650 -13.783 1.00 4.14 N ATOM 668 CA LYS A 53 18.735 -24.415 -12.543 1.00 35.01 C ATOM 669 C LYS A 53 18.068 -25.768 -12.771 1.00 22.12 C ATOM 670 O LYS A 53 17.600 -26.063 -13.871 1.00 4.22 O ATOM 671 CB LYS A 53 17.970 -23.632 -11.473 1.00 41.11 C ATOM 672 CG LYS A 53 16.554 -23.266 -11.883 1.00 31.34 C ATOM 673 CD LYS A 53 16.423 -21.780 -12.173 1.00 23.52 C ATOM 674 CE LYS A 53 15.135 -21.469 -12.918 1.00 73.35 C ATOM 675 NZ LYS A 53 14.752 -20.036 -12.790 1.00 34.12 N ATOM 0 H LYS A 53 18.050 -23.863 -14.446 1.00 4.14 H new ATOM 0 HA LYS A 53 19.756 -24.585 -12.200 1.00 35.01 H new ATOM 0 HB2 LYS A 53 17.933 -24.224 -10.559 1.00 41.11 H new ATOM 0 HB3 LYS A 53 18.519 -22.720 -11.240 1.00 41.11 H new ATOM 0 HG2 LYS A 53 16.272 -23.836 -12.768 1.00 31.34 H new ATOM 0 HG3 LYS A 53 15.861 -23.545 -11.089 1.00 31.34 H new ATOM 0 HD2 LYS A 53 16.447 -21.222 -11.237 1.00 23.52 H new ATOM 0 HD3 LYS A 53 17.276 -21.447 -12.764 1.00 23.52 H new ATOM 0 HE2 LYS A 53 15.256 -21.720 -13.972 1.00 73.35 H new ATOM 0 HE3 LYS A 53 14.331 -22.096 -12.531 1.00 73.35 H new ATOM 0 HZ1 LYS A 53 13.869 -19.865 -13.312 1.00 34.12 H new ATOM 0 HZ2 LYS A 53 14.612 -19.802 -11.786 1.00 34.12 H new ATOM 0 HZ3 LYS A 53 15.507 -19.438 -13.182 1.00 34.12 H new ATOM 689 N ASP A 54 18.027 -26.586 -11.725 1.00 4.23 N ATOM 690 CA ASP A 54 17.416 -27.907 -11.810 1.00 54.14 C ATOM 691 C ASP A 54 15.988 -27.881 -11.273 1.00 2.42 C ATOM 692 O ASP A 54 15.474 -28.894 -10.801 1.00 14.23 O ATOM 693 CB ASP A 54 18.248 -28.929 -11.034 1.00 15.11 C ATOM 694 CG ASP A 54 18.462 -30.212 -11.812 1.00 72.12 C ATOM 695 OD1 ASP A 54 19.614 -30.478 -12.213 1.00 45.35 O ATOM 696 OD2 ASP A 54 17.477 -30.951 -12.019 1.00 61.34 O ATOM 0 H ASP A 54 18.410 -26.357 -10.808 1.00 4.23 H new ATOM 0 HA ASP A 54 17.385 -28.199 -12.860 1.00 54.14 H new ATOM 0 HB2 ASP A 54 19.215 -28.492 -10.786 1.00 15.11 H new ATOM 0 HB3 ASP A 54 17.750 -29.158 -10.092 1.00 15.11 H new ATOM 701 N ALA A 55 15.355 -26.715 -11.347 1.00 52.41 N ATOM 702 CA ALA A 55 13.987 -26.557 -10.869 1.00 51.40 C ATOM 703 C ALA A 55 13.041 -26.211 -12.015 1.00 24.25 C ATOM 704 O ALA A 55 13.458 -25.752 -13.078 1.00 50.12 O ATOM 705 CB ALA A 55 13.925 -25.486 -9.790 1.00 43.40 C ATOM 0 H ALA A 55 15.768 -25.866 -11.733 1.00 52.41 H new ATOM 0 HA ALA A 55 13.666 -27.507 -10.442 1.00 51.40 H new ATOM 0 HB1 ALA A 55 12.897 -25.379 -9.442 1.00 43.40 H new ATOM 0 HB2 ALA A 55 14.563 -25.774 -8.954 1.00 43.40 H new ATOM 0 HB3 ALA A 55 14.270 -24.537 -10.199 1.00 43.40 H new ATOM 711 N PRO A 56 11.738 -26.437 -11.795 1.00 54.03 N ATOM 712 CA PRO A 56 10.706 -26.157 -12.798 1.00 40.43 C ATOM 713 C PRO A 56 10.509 -24.662 -13.025 1.00 44.43 C ATOM 714 O PRO A 56 10.997 -23.824 -12.265 1.00 73.44 O ATOM 715 CB PRO A 56 9.444 -26.776 -12.192 1.00 42.12 C ATOM 716 CG PRO A 56 9.690 -26.776 -10.723 1.00 5.11 C ATOM 717 CD PRO A 56 11.170 -26.983 -10.551 1.00 51.20 C ATOM 0 HA PRO A 56 10.968 -26.561 -13.776 1.00 40.43 H new ATOM 0 HB2 PRO A 56 8.557 -26.195 -12.445 1.00 42.12 H new ATOM 0 HB3 PRO A 56 9.280 -27.787 -12.566 1.00 42.12 H new ATOM 0 HG2 PRO A 56 9.373 -25.835 -10.274 1.00 5.11 H new ATOM 0 HG3 PRO A 56 9.125 -27.569 -10.233 1.00 5.11 H new ATOM 0 HD2 PRO A 56 11.549 -26.460 -9.673 1.00 51.20 H new ATOM 0 HD3 PRO A 56 11.416 -28.037 -10.426 1.00 51.20 H new ATOM 725 N PRO A 57 9.778 -24.316 -14.095 1.00 41.23 N ATOM 726 CA PRO A 57 9.500 -22.920 -14.446 1.00 74.13 C ATOM 727 C PRO A 57 8.549 -22.253 -13.458 1.00 52.45 C ATOM 728 O PRO A 57 7.347 -22.515 -13.467 1.00 54.54 O ATOM 729 CB PRO A 57 8.848 -23.025 -15.828 1.00 5.24 C ATOM 730 CG PRO A 57 8.254 -24.390 -15.864 1.00 21.43 C ATOM 731 CD PRO A 57 9.166 -25.261 -15.045 1.00 5.14 C ATOM 0 HA PRO A 57 10.402 -22.308 -14.430 1.00 74.13 H new ATOM 0 HB2 PRO A 57 8.086 -22.258 -15.965 1.00 5.24 H new ATOM 0 HB3 PRO A 57 9.582 -22.891 -16.623 1.00 5.24 H new ATOM 0 HG2 PRO A 57 7.244 -24.387 -15.453 1.00 21.43 H new ATOM 0 HG3 PRO A 57 8.180 -24.756 -16.888 1.00 21.43 H new ATOM 0 HD2 PRO A 57 8.615 -26.048 -14.530 1.00 5.14 H new ATOM 0 HD3 PRO A 57 9.917 -25.751 -15.665 1.00 5.14 H new ATOM 739 N GLU A 58 9.096 -21.389 -12.609 1.00 20.25 N ATOM 740 CA GLU A 58 8.295 -20.685 -11.614 1.00 52.14 C ATOM 741 C GLU A 58 7.982 -19.264 -12.075 1.00 74.32 C ATOM 742 O GLU A 58 6.857 -18.786 -11.928 1.00 32.40 O ATOM 743 CB GLU A 58 9.026 -20.647 -10.271 1.00 23.51 C ATOM 744 CG GLU A 58 8.105 -20.793 -9.072 1.00 15.32 C ATOM 745 CD GLU A 58 7.585 -22.207 -8.904 1.00 33.25 C ATOM 746 OE1 GLU A 58 6.379 -22.365 -8.617 1.00 25.45 O ATOM 747 OE2 GLU A 58 8.382 -23.155 -9.058 1.00 62.44 O ATOM 0 H GLU A 58 10.090 -21.160 -12.590 1.00 20.25 H new ATOM 0 HA GLU A 58 7.356 -21.225 -11.493 1.00 52.14 H new ATOM 0 HB2 GLU A 58 9.768 -21.445 -10.248 1.00 23.51 H new ATOM 0 HB3 GLU A 58 9.569 -19.705 -10.189 1.00 23.51 H new ATOM 0 HG2 GLU A 58 8.640 -20.497 -8.170 1.00 15.32 H new ATOM 0 HG3 GLU A 58 7.262 -20.111 -9.181 1.00 15.32 H new ATOM 754 N SER A 59 8.985 -18.595 -12.633 1.00 1.40 N ATOM 755 CA SER A 59 8.819 -17.227 -13.112 1.00 21.24 C ATOM 756 C SER A 59 8.172 -17.210 -14.493 1.00 62.12 C ATOM 757 O SER A 59 8.095 -18.237 -15.167 1.00 63.34 O ATOM 758 CB SER A 59 10.171 -16.514 -13.160 1.00 45.32 C ATOM 759 OG SER A 59 11.239 -17.434 -13.018 1.00 23.41 O ATOM 0 H SER A 59 9.921 -18.977 -12.765 1.00 1.40 H new ATOM 0 HA SER A 59 8.164 -16.701 -12.417 1.00 21.24 H new ATOM 0 HB2 SER A 59 10.270 -15.980 -14.105 1.00 45.32 H new ATOM 0 HB3 SER A 59 10.221 -15.769 -12.366 1.00 45.32 H new ATOM 0 HG SER A 59 12.092 -16.953 -13.054 1.00 23.41 H new ATOM 765 N ARG A 60 7.708 -16.036 -14.908 1.00 4.31 N ATOM 766 CA ARG A 60 7.067 -15.884 -16.208 1.00 51.42 C ATOM 767 C ARG A 60 8.013 -15.225 -17.208 1.00 24.32 C ATOM 768 O ARG A 60 8.351 -14.048 -17.078 1.00 24.23 O ATOM 769 CB ARG A 60 5.789 -15.053 -16.076 1.00 41.22 C ATOM 770 CG ARG A 60 4.662 -15.779 -15.361 1.00 75.13 C ATOM 771 CD ARG A 60 4.206 -17.003 -16.140 1.00 33.43 C ATOM 772 NE ARG A 60 4.356 -18.232 -15.365 1.00 20.03 N ATOM 773 CZ ARG A 60 3.533 -18.588 -14.385 1.00 33.30 C ATOM 774 NH1 ARG A 60 2.506 -17.814 -14.063 1.00 1.33 N ATOM 775 NH2 ARG A 60 3.735 -19.722 -13.726 1.00 4.12 N ATOM 0 H ARG A 60 7.764 -15.176 -14.362 1.00 4.31 H new ATOM 0 HA ARG A 60 6.811 -16.877 -16.577 1.00 51.42 H new ATOM 0 HB2 ARG A 60 6.018 -14.134 -15.537 1.00 41.22 H new ATOM 0 HB3 ARG A 60 5.450 -14.763 -17.070 1.00 41.22 H new ATOM 0 HG2 ARG A 60 4.995 -16.081 -14.368 1.00 75.13 H new ATOM 0 HG3 ARG A 60 3.821 -15.100 -15.222 1.00 75.13 H new ATOM 0 HD2 ARG A 60 3.162 -16.881 -16.428 1.00 33.43 H new ATOM 0 HD3 ARG A 60 4.783 -17.082 -17.061 1.00 33.43 H new ATOM 0 HE ARG A 60 5.135 -18.851 -15.589 1.00 20.03 H new ATOM 0 HH11 ARG A 60 2.346 -16.942 -14.568 1.00 1.33 H new ATOM 0 HH12 ARG A 60 1.876 -18.090 -13.310 1.00 1.33 H new ATOM 0 HH21 ARG A 60 4.523 -20.321 -13.972 1.00 4.12 H new ATOM 0 HH22 ARG A 60 3.102 -19.994 -12.974 1.00 4.12 H new ATOM 789 N THR A 61 8.439 -15.993 -18.206 1.00 71.12 N ATOM 790 CA THR A 61 9.347 -15.486 -19.227 1.00 4.02 C ATOM 791 C THR A 61 8.660 -15.408 -20.585 1.00 70.01 C ATOM 792 O THR A 61 8.425 -16.428 -21.233 1.00 61.04 O ATOM 793 CB THR A 61 10.603 -16.369 -19.350 1.00 5.03 C ATOM 794 OG1 THR A 61 11.359 -15.988 -20.505 1.00 3.44 O ATOM 795 CG2 THR A 61 10.224 -17.839 -19.448 1.00 41.13 C ATOM 0 H THR A 61 8.169 -16.969 -18.329 1.00 71.12 H new ATOM 0 HA THR A 61 9.644 -14.485 -18.916 1.00 4.02 H new ATOM 0 HB THR A 61 11.210 -16.225 -18.456 1.00 5.03 H new ATOM 0 HG1 THR A 61 12.244 -16.408 -20.470 1.00 3.44 H new ATOM 0 HG21 THR A 61 11.127 -18.443 -19.534 1.00 41.13 H new ATOM 0 HG22 THR A 61 9.675 -18.133 -18.554 1.00 41.13 H new ATOM 0 HG23 THR A 61 9.598 -17.996 -20.326 1.00 41.13 H new ATOM 803 N LYS A 62 8.340 -14.191 -21.012 1.00 34.21 N ATOM 804 CA LYS A 62 7.680 -13.979 -22.295 1.00 4.20 C ATOM 805 C LYS A 62 8.252 -12.755 -23.004 1.00 72.23 C ATOM 806 O LYS A 62 8.827 -11.861 -22.384 1.00 43.21 O ATOM 807 CB LYS A 62 6.173 -13.808 -22.095 1.00 52.20 C ATOM 808 CG LYS A 62 5.812 -12.942 -20.901 1.00 0.43 C ATOM 809 CD LYS A 62 5.285 -13.776 -19.746 1.00 33.15 C ATOM 810 CE LYS A 62 3.777 -13.957 -19.831 1.00 60.25 C ATOM 811 NZ LYS A 62 3.403 -15.067 -20.751 1.00 42.04 N ATOM 0 H LYS A 62 8.527 -13.336 -20.488 1.00 34.21 H new ATOM 0 HA LYS A 62 7.860 -14.856 -22.917 1.00 4.20 H new ATOM 0 HB2 LYS A 62 5.743 -13.368 -22.995 1.00 52.20 H new ATOM 0 HB3 LYS A 62 5.718 -14.791 -21.971 1.00 52.20 H new ATOM 0 HG2 LYS A 62 6.690 -12.384 -20.577 1.00 0.43 H new ATOM 0 HG3 LYS A 62 5.060 -12.210 -21.195 1.00 0.43 H new ATOM 0 HD2 LYS A 62 5.770 -14.752 -19.750 1.00 33.15 H new ATOM 0 HD3 LYS A 62 5.542 -13.296 -18.802 1.00 33.15 H new ATOM 0 HE2 LYS A 62 3.379 -14.160 -18.837 1.00 60.25 H new ATOM 0 HE3 LYS A 62 3.319 -13.030 -20.175 1.00 60.25 H new ATOM 0 HZ1 LYS A 62 2.399 -15.305 -20.618 1.00 42.04 H new ATOM 0 HZ2 LYS A 62 3.561 -14.770 -21.735 1.00 42.04 H new ATOM 0 HZ3 LYS A 62 3.987 -15.902 -20.543 1.00 42.04 H new ATOM 825 N PRO A 63 8.089 -12.712 -24.335 1.00 4.10 N ATOM 826 CA PRO A 63 8.581 -11.602 -25.157 1.00 14.23 C ATOM 827 C PRO A 63 7.797 -10.315 -24.921 1.00 30.11 C ATOM 828 O PRO A 63 8.249 -9.227 -25.278 1.00 61.43 O ATOM 829 CB PRO A 63 8.371 -12.101 -26.589 1.00 1.44 C ATOM 830 CG PRO A 63 7.263 -13.091 -26.486 1.00 70.14 C ATOM 831 CD PRO A 63 7.413 -13.743 -25.140 1.00 24.21 C ATOM 0 HA PRO A 63 9.616 -11.351 -24.926 1.00 14.23 H new ATOM 0 HB2 PRO A 63 8.109 -11.282 -27.259 1.00 1.44 H new ATOM 0 HB3 PRO A 63 9.277 -12.560 -26.985 1.00 1.44 H new ATOM 0 HG2 PRO A 63 6.293 -12.602 -26.577 1.00 70.14 H new ATOM 0 HG3 PRO A 63 7.324 -13.829 -27.286 1.00 70.14 H new ATOM 0 HD2 PRO A 63 6.447 -14.015 -24.715 1.00 24.21 H new ATOM 0 HD3 PRO A 63 8.003 -14.657 -25.200 1.00 24.21 H new ATOM 839 N SER A 64 6.620 -10.446 -24.317 1.00 24.54 N ATOM 840 CA SER A 64 5.772 -9.294 -24.036 1.00 42.10 C ATOM 841 C SER A 64 6.550 -8.217 -23.285 1.00 72.15 C ATOM 842 O SER A 64 7.484 -8.515 -22.540 1.00 55.33 O ATOM 843 CB SER A 64 4.551 -9.720 -23.219 1.00 53.22 C ATOM 844 OG SER A 64 3.493 -10.139 -24.064 1.00 62.31 O ATOM 0 H SER A 64 6.232 -11.339 -24.013 1.00 24.54 H new ATOM 0 HA SER A 64 5.437 -8.880 -24.987 1.00 42.10 H new ATOM 0 HB2 SER A 64 4.826 -10.532 -22.545 1.00 53.22 H new ATOM 0 HB3 SER A 64 4.217 -8.889 -22.598 1.00 53.22 H new ATOM 0 HG SER A 64 2.725 -10.408 -23.518 1.00 62.31 H new ATOM 850 N VAL A 65 6.158 -6.963 -23.488 1.00 34.21 N ATOM 851 CA VAL A 65 6.816 -5.841 -22.830 1.00 51.34 C ATOM 852 C VAL A 65 5.951 -5.276 -21.709 1.00 71.40 C ATOM 853 O VAL A 65 4.722 -5.311 -21.781 1.00 3.22 O ATOM 854 CB VAL A 65 7.139 -4.715 -23.831 1.00 13.01 C ATOM 855 CG1 VAL A 65 8.160 -5.187 -24.854 1.00 42.34 C ATOM 856 CG2 VAL A 65 5.869 -4.232 -24.516 1.00 44.40 C ATOM 0 H VAL A 65 5.388 -6.699 -24.103 1.00 34.21 H new ATOM 0 HA VAL A 65 7.746 -6.222 -22.409 1.00 51.34 H new ATOM 0 HB VAL A 65 7.570 -3.877 -23.283 1.00 13.01 H new ATOM 0 HG11 VAL A 65 8.376 -4.379 -25.553 1.00 42.34 H new ATOM 0 HG12 VAL A 65 9.078 -5.480 -24.344 1.00 42.34 H new ATOM 0 HG13 VAL A 65 7.760 -6.041 -25.400 1.00 42.34 H new ATOM 0 HG21 VAL A 65 6.115 -3.437 -25.220 1.00 44.40 H new ATOM 0 HG22 VAL A 65 5.407 -5.061 -25.052 1.00 44.40 H new ATOM 0 HG23 VAL A 65 5.174 -3.852 -23.767 1.00 44.40 H new ATOM 866 N PHE A 66 6.600 -4.756 -20.673 1.00 24.42 N ATOM 867 CA PHE A 66 5.891 -4.184 -19.535 1.00 34.44 C ATOM 868 C PHE A 66 6.013 -2.663 -19.526 1.00 21.42 C ATOM 869 O PHE A 66 7.107 -2.116 -19.667 1.00 71.53 O ATOM 870 CB PHE A 66 6.436 -4.759 -18.225 1.00 51.34 C ATOM 871 CG PHE A 66 6.585 -6.253 -18.243 1.00 21.24 C ATOM 872 CD1 PHE A 66 7.763 -6.850 -17.824 1.00 44.11 C ATOM 873 CD2 PHE A 66 5.547 -7.061 -18.678 1.00 21.31 C ATOM 874 CE1 PHE A 66 7.904 -8.225 -17.838 1.00 51.13 C ATOM 875 CE2 PHE A 66 5.682 -8.437 -18.694 1.00 14.31 C ATOM 876 CZ PHE A 66 6.862 -9.019 -18.275 1.00 32.22 C ATOM 0 H PHE A 66 7.617 -4.719 -20.598 1.00 24.42 H new ATOM 0 HA PHE A 66 4.837 -4.445 -19.627 1.00 34.44 H new ATOM 0 HB2 PHE A 66 7.406 -4.308 -18.015 1.00 51.34 H new ATOM 0 HB3 PHE A 66 5.770 -4.478 -17.409 1.00 51.34 H new ATOM 0 HD1 PHE A 66 8.581 -6.233 -17.482 1.00 44.11 H new ATOM 0 HD2 PHE A 66 4.622 -6.611 -19.008 1.00 21.31 H new ATOM 0 HE1 PHE A 66 8.827 -8.678 -17.508 1.00 51.13 H new ATOM 0 HE2 PHE A 66 4.865 -9.056 -19.034 1.00 14.31 H new ATOM 0 HZ PHE A 66 6.970 -10.094 -18.289 1.00 32.22 H new ATOM 886 N VAL A 67 4.882 -1.986 -19.359 1.00 52.52 N ATOM 887 CA VAL A 67 4.861 -0.528 -19.331 1.00 50.13 C ATOM 888 C VAL A 67 4.135 -0.012 -18.094 1.00 21.32 C ATOM 889 O VAL A 67 3.147 -0.599 -17.651 1.00 5.44 O ATOM 890 CB VAL A 67 4.182 0.048 -20.588 1.00 62.23 C ATOM 891 CG1 VAL A 67 4.951 -0.349 -21.840 1.00 11.25 C ATOM 892 CG2 VAL A 67 2.736 -0.416 -20.672 1.00 12.31 C ATOM 0 H VAL A 67 3.968 -2.423 -19.241 1.00 52.52 H new ATOM 0 HA VAL A 67 5.899 -0.198 -19.304 1.00 50.13 H new ATOM 0 HB VAL A 67 4.187 1.136 -20.516 1.00 62.23 H new ATOM 0 HG11 VAL A 67 4.457 0.067 -22.718 1.00 11.25 H new ATOM 0 HG12 VAL A 67 5.969 0.037 -21.780 1.00 11.25 H new ATOM 0 HG13 VAL A 67 4.979 -1.436 -21.920 1.00 11.25 H new ATOM 0 HG21 VAL A 67 2.272 0.000 -21.566 1.00 12.31 H new ATOM 0 HG22 VAL A 67 2.705 -1.504 -20.721 1.00 12.31 H new ATOM 0 HG23 VAL A 67 2.193 -0.077 -19.790 1.00 12.31 H new ATOM 902 N VAL A 68 4.631 1.089 -17.540 1.00 1.54 N ATOM 903 CA VAL A 68 4.029 1.686 -16.353 1.00 41.23 C ATOM 904 C VAL A 68 3.620 3.132 -16.613 1.00 34.42 C ATOM 905 O VAL A 68 4.467 4.001 -16.820 1.00 71.54 O ATOM 906 CB VAL A 68 4.994 1.645 -15.153 1.00 74.02 C ATOM 907 CG1 VAL A 68 4.351 2.281 -13.930 1.00 23.54 C ATOM 908 CG2 VAL A 68 5.418 0.214 -14.860 1.00 72.21 C ATOM 0 H VAL A 68 5.448 1.586 -17.894 1.00 1.54 H new ATOM 0 HA VAL A 68 3.143 1.097 -16.117 1.00 41.23 H new ATOM 0 HB VAL A 68 5.886 2.219 -15.405 1.00 74.02 H new ATOM 0 HG11 VAL A 68 5.047 2.243 -13.092 1.00 23.54 H new ATOM 0 HG12 VAL A 68 4.102 3.319 -14.148 1.00 23.54 H new ATOM 0 HG13 VAL A 68 3.443 1.737 -13.672 1.00 23.54 H new ATOM 0 HG21 VAL A 68 6.100 0.203 -14.009 1.00 72.21 H new ATOM 0 HG22 VAL A 68 4.538 -0.386 -14.627 1.00 72.21 H new ATOM 0 HG23 VAL A 68 5.921 -0.203 -15.733 1.00 72.21 H new ATOM 918 N PHE A 69 2.315 3.383 -16.599 1.00 73.32 N ATOM 919 CA PHE A 69 1.792 4.724 -16.834 1.00 33.44 C ATOM 920 C PHE A 69 1.913 5.582 -15.578 1.00 4.01 C ATOM 921 O PHE A 69 1.764 5.090 -14.460 1.00 52.23 O ATOM 922 CB PHE A 69 0.329 4.653 -17.277 1.00 40.21 C ATOM 923 CG PHE A 69 0.153 4.673 -18.769 1.00 23.23 C ATOM 924 CD1 PHE A 69 0.381 3.532 -19.521 1.00 41.25 C ATOM 925 CD2 PHE A 69 -0.239 5.832 -19.418 1.00 53.20 C ATOM 926 CE1 PHE A 69 0.220 3.547 -20.894 1.00 70.32 C ATOM 927 CE2 PHE A 69 -0.402 5.853 -20.790 1.00 74.43 C ATOM 928 CZ PHE A 69 -0.171 4.709 -21.529 1.00 74.14 C ATOM 0 H PHE A 69 1.600 2.676 -16.427 1.00 73.32 H new ATOM 0 HA PHE A 69 2.383 5.184 -17.626 1.00 33.44 H new ATOM 0 HB2 PHE A 69 -0.119 3.743 -16.878 1.00 40.21 H new ATOM 0 HB3 PHE A 69 -0.215 5.492 -16.844 1.00 40.21 H new ATOM 0 HD1 PHE A 69 0.688 2.621 -19.029 1.00 41.25 H new ATOM 0 HD2 PHE A 69 -0.419 6.730 -18.845 1.00 53.20 H new ATOM 0 HE1 PHE A 69 0.400 2.651 -21.469 1.00 70.32 H new ATOM 0 HE2 PHE A 69 -0.710 6.763 -21.284 1.00 74.43 H new ATOM 0 HZ PHE A 69 -0.296 4.723 -22.602 1.00 74.14 H new ATOM 938 N ASN A 70 2.187 6.868 -15.772 1.00 15.21 N ATOM 939 CA ASN A 70 2.330 7.796 -14.656 1.00 32.13 C ATOM 940 C ASN A 70 0.971 8.335 -14.219 1.00 2.31 C ATOM 941 O ASN A 70 0.656 8.362 -13.029 1.00 74.24 O ATOM 942 CB ASN A 70 3.250 8.955 -15.044 1.00 25.35 C ATOM 943 CG ASN A 70 3.421 9.959 -13.920 1.00 22.43 C ATOM 944 OD1 ASN A 70 4.290 9.804 -13.062 1.00 3.55 O ATOM 945 ND2 ASN A 70 2.590 10.994 -13.920 1.00 74.11 N ATOM 0 H ASN A 70 2.314 7.291 -16.691 1.00 15.21 H new ATOM 0 HA ASN A 70 2.772 7.254 -13.820 1.00 32.13 H new ATOM 0 HB2 ASN A 70 4.226 8.561 -15.327 1.00 25.35 H new ATOM 0 HB3 ASN A 70 2.844 9.460 -15.920 1.00 25.35 H new ATOM 0 HD21 ASN A 70 2.657 11.702 -13.188 1.00 74.11 H new ATOM 0 HD22 ASN A 70 1.885 11.082 -14.652 1.00 74.11 H new ATOM 952 N SER A 71 0.171 8.764 -15.190 1.00 11.03 N ATOM 953 CA SER A 71 -1.153 9.306 -14.906 1.00 22.12 C ATOM 954 C SER A 71 -2.155 8.185 -14.648 1.00 21.31 C ATOM 955 O SER A 71 -2.279 7.253 -15.443 1.00 10.12 O ATOM 956 CB SER A 71 -1.632 10.175 -16.070 1.00 4.41 C ATOM 957 OG SER A 71 -0.744 11.256 -16.298 1.00 64.13 O ATOM 0 H SER A 71 0.416 8.747 -16.180 1.00 11.03 H new ATOM 0 HA SER A 71 -1.082 9.920 -14.008 1.00 22.12 H new ATOM 0 HB2 SER A 71 -1.711 9.569 -16.972 1.00 4.41 H new ATOM 0 HB3 SER A 71 -2.629 10.559 -15.855 1.00 4.41 H new ATOM 0 HG SER A 71 -1.071 11.796 -17.048 1.00 64.13 H new ATOM 963 N SER A 72 -2.868 8.282 -13.530 1.00 41.33 N ATOM 964 CA SER A 72 -3.857 7.275 -13.164 1.00 41.22 C ATOM 965 C SER A 72 -4.937 7.160 -14.235 1.00 55.41 C ATOM 966 O SER A 72 -5.262 6.064 -14.689 1.00 20.44 O ATOM 967 CB SER A 72 -4.493 7.621 -11.817 1.00 12.15 C ATOM 968 OG SER A 72 -3.522 8.096 -10.901 1.00 25.44 O ATOM 0 H SER A 72 -2.779 9.048 -12.862 1.00 41.33 H new ATOM 0 HA SER A 72 -3.348 6.315 -13.081 1.00 41.22 H new ATOM 0 HB2 SER A 72 -5.264 8.378 -11.959 1.00 12.15 H new ATOM 0 HB3 SER A 72 -4.984 6.739 -11.406 1.00 12.15 H new ATOM 0 HG SER A 72 -3.954 8.312 -10.048 1.00 25.44 H new ATOM 974 N GLU A 73 -5.490 8.302 -14.634 1.00 33.32 N ATOM 975 CA GLU A 73 -6.535 8.329 -15.651 1.00 11.43 C ATOM 976 C GLU A 73 -6.067 7.643 -16.930 1.00 60.45 C ATOM 977 O GLU A 73 -6.681 6.681 -17.390 1.00 61.54 O ATOM 978 CB GLU A 73 -6.945 9.772 -15.954 1.00 2.24 C ATOM 979 CG GLU A 73 -8.428 10.037 -15.760 1.00 54.01 C ATOM 980 CD GLU A 73 -8.722 11.483 -15.412 1.00 53.44 C ATOM 981 OE1 GLU A 73 -8.344 12.372 -16.205 1.00 32.14 O ATOM 982 OE2 GLU A 73 -9.330 11.727 -14.349 1.00 4.00 O ATOM 0 H GLU A 73 -5.232 9.219 -14.269 1.00 33.32 H new ATOM 0 HA GLU A 73 -7.398 7.787 -15.263 1.00 11.43 H new ATOM 0 HB2 GLU A 73 -6.377 10.445 -15.311 1.00 2.24 H new ATOM 0 HB3 GLU A 73 -6.674 10.009 -16.983 1.00 2.24 H new ATOM 0 HG2 GLU A 73 -8.963 9.771 -16.672 1.00 54.01 H new ATOM 0 HG3 GLU A 73 -8.808 9.392 -14.968 1.00 54.01 H new ATOM 989 N GLU A 74 -4.976 8.145 -17.500 1.00 0.31 N ATOM 990 CA GLU A 74 -4.427 7.581 -18.727 1.00 44.22 C ATOM 991 C GLU A 74 -4.065 6.111 -18.536 1.00 0.01 C ATOM 992 O GLU A 74 -4.173 5.309 -19.463 1.00 33.33 O ATOM 993 CB GLU A 74 -3.191 8.368 -19.168 1.00 41.52 C ATOM 994 CG GLU A 74 -3.064 8.507 -20.676 1.00 3.21 C ATOM 995 CD GLU A 74 -3.331 9.920 -21.156 1.00 52.34 C ATOM 996 OE1 GLU A 74 -2.476 10.472 -21.881 1.00 31.23 O ATOM 997 OE2 GLU A 74 -4.394 10.475 -20.808 1.00 75.33 O ATOM 0 H GLU A 74 -4.455 8.941 -17.132 1.00 0.31 H new ATOM 0 HA GLU A 74 -5.190 7.652 -19.502 1.00 44.22 H new ATOM 0 HB2 GLU A 74 -3.225 9.362 -18.722 1.00 41.52 H new ATOM 0 HB3 GLU A 74 -2.299 7.875 -18.781 1.00 41.52 H new ATOM 0 HG2 GLU A 74 -2.062 8.207 -20.982 1.00 3.21 H new ATOM 0 HG3 GLU A 74 -3.763 7.825 -21.160 1.00 3.21 H new ATOM 1004 N ALA A 75 -3.634 5.766 -17.327 1.00 15.12 N ATOM 1005 CA ALA A 75 -3.258 4.393 -17.013 1.00 11.43 C ATOM 1006 C ALA A 75 -4.442 3.447 -17.182 1.00 41.22 C ATOM 1007 O ALA A 75 -4.344 2.435 -17.875 1.00 52.11 O ATOM 1008 CB ALA A 75 -2.710 4.307 -15.596 1.00 42.51 C ATOM 0 H ALA A 75 -3.537 6.418 -16.549 1.00 15.12 H new ATOM 0 HA ALA A 75 -2.479 4.087 -17.712 1.00 11.43 H new ATOM 0 HB1 ALA A 75 -2.433 3.276 -15.375 1.00 42.51 H new ATOM 0 HB2 ALA A 75 -1.831 4.946 -15.506 1.00 42.51 H new ATOM 0 HB3 ALA A 75 -3.472 4.637 -14.890 1.00 42.51 H new ATOM 1014 N GLU A 76 -5.559 3.784 -16.544 1.00 63.42 N ATOM 1015 CA GLU A 76 -6.760 2.962 -16.624 1.00 75.32 C ATOM 1016 C GLU A 76 -7.288 2.907 -18.055 1.00 61.11 C ATOM 1017 O GLU A 76 -7.691 1.850 -18.539 1.00 33.20 O ATOM 1018 CB GLU A 76 -7.842 3.509 -15.691 1.00 34.12 C ATOM 1019 CG GLU A 76 -7.704 3.035 -14.254 1.00 64.50 C ATOM 1020 CD GLU A 76 -8.984 2.428 -13.714 1.00 21.43 C ATOM 1021 OE1 GLU A 76 -8.901 1.403 -13.004 1.00 63.04 O ATOM 1022 OE2 GLU A 76 -10.068 2.976 -14.000 1.00 53.41 O ATOM 0 H GLU A 76 -5.657 4.619 -15.967 1.00 63.42 H new ATOM 0 HA GLU A 76 -6.498 1.951 -16.312 1.00 75.32 H new ATOM 0 HB2 GLU A 76 -7.809 4.598 -15.710 1.00 34.12 H new ATOM 0 HB3 GLU A 76 -8.820 3.213 -16.070 1.00 34.12 H new ATOM 0 HG2 GLU A 76 -6.903 2.298 -14.194 1.00 64.50 H new ATOM 0 HG3 GLU A 76 -7.411 3.876 -13.625 1.00 64.50 H new ATOM 1029 N ALA A 77 -7.282 4.054 -18.726 1.00 43.01 N ATOM 1030 CA ALA A 77 -7.758 4.137 -20.101 1.00 44.23 C ATOM 1031 C ALA A 77 -7.011 3.158 -21.001 1.00 3.21 C ATOM 1032 O ALA A 77 -7.624 2.369 -21.720 1.00 44.24 O ATOM 1033 CB ALA A 77 -7.609 5.558 -20.626 1.00 74.41 C ATOM 0 H ALA A 77 -6.953 4.939 -18.340 1.00 43.01 H new ATOM 0 HA ALA A 77 -8.814 3.866 -20.111 1.00 44.23 H new ATOM 0 HB1 ALA A 77 -7.968 5.606 -21.654 1.00 74.41 H new ATOM 0 HB2 ALA A 77 -8.193 6.238 -20.006 1.00 74.41 H new ATOM 0 HB3 ALA A 77 -6.559 5.849 -20.595 1.00 74.41 H new ATOM 1039 N PHE A 78 -5.684 3.215 -20.956 1.00 62.10 N ATOM 1040 CA PHE A 78 -4.853 2.334 -21.769 1.00 11.03 C ATOM 1041 C PHE A 78 -5.053 0.875 -21.367 1.00 45.45 C ATOM 1042 O PHE A 78 -5.094 -0.012 -22.219 1.00 22.54 O ATOM 1043 CB PHE A 78 -3.378 2.716 -21.628 1.00 51.23 C ATOM 1044 CG PHE A 78 -2.842 3.478 -22.806 1.00 43.41 C ATOM 1045 CD1 PHE A 78 -1.994 2.867 -23.716 1.00 0.32 C ATOM 1046 CD2 PHE A 78 -3.185 4.806 -23.003 1.00 43.32 C ATOM 1047 CE1 PHE A 78 -1.499 3.566 -24.801 1.00 62.30 C ATOM 1048 CE2 PHE A 78 -2.693 5.510 -24.087 1.00 31.43 C ATOM 1049 CZ PHE A 78 -1.848 4.889 -24.986 1.00 31.01 C ATOM 0 H PHE A 78 -5.161 3.862 -20.365 1.00 62.10 H new ATOM 0 HA PHE A 78 -5.153 2.451 -22.810 1.00 11.03 H new ATOM 0 HB2 PHE A 78 -3.251 3.317 -20.728 1.00 51.23 H new ATOM 0 HB3 PHE A 78 -2.787 1.810 -21.492 1.00 51.23 H new ATOM 0 HD1 PHE A 78 -1.717 1.833 -23.576 1.00 0.32 H new ATOM 0 HD2 PHE A 78 -3.844 5.297 -22.302 1.00 43.32 H new ATOM 0 HE1 PHE A 78 -0.840 3.078 -25.503 1.00 62.30 H new ATOM 0 HE2 PHE A 78 -2.969 6.544 -24.230 1.00 31.43 H new ATOM 0 HZ PHE A 78 -1.461 5.437 -25.832 1.00 31.01 H new ATOM 1059 N GLN A 79 -5.175 0.637 -20.066 1.00 1.54 N ATOM 1060 CA GLN A 79 -5.369 -0.713 -19.551 1.00 63.12 C ATOM 1061 C GLN A 79 -6.617 -1.350 -20.152 1.00 33.42 C ATOM 1062 O GLN A 79 -6.603 -2.516 -20.549 1.00 10.22 O ATOM 1063 CB GLN A 79 -5.477 -0.690 -18.026 1.00 10.24 C ATOM 1064 CG GLN A 79 -4.747 -1.837 -17.346 1.00 62.02 C ATOM 1065 CD GLN A 79 -4.813 -1.757 -15.834 1.00 33.12 C ATOM 1066 OE1 GLN A 79 -5.310 -2.670 -15.174 1.00 20.24 O ATOM 1067 NE2 GLN A 79 -4.312 -0.661 -15.276 1.00 64.40 N ATOM 0 H GLN A 79 -5.143 1.361 -19.349 1.00 1.54 H new ATOM 0 HA GLN A 79 -4.504 -1.312 -19.837 1.00 63.12 H new ATOM 0 HB2 GLN A 79 -5.077 0.254 -17.656 1.00 10.24 H new ATOM 0 HB3 GLN A 79 -6.529 -0.722 -17.744 1.00 10.24 H new ATOM 0 HG2 GLN A 79 -5.178 -2.783 -17.675 1.00 62.02 H new ATOM 0 HG3 GLN A 79 -3.703 -1.836 -17.661 1.00 62.02 H new ATOM 0 HE21 GLN A 79 -3.910 0.071 -15.861 1.00 64.40 H new ATOM 0 HE22 GLN A 79 -4.330 -0.551 -14.262 1.00 64.40 H new ATOM 1076 N LYS A 80 -7.697 -0.579 -20.215 1.00 51.13 N ATOM 1077 CA LYS A 80 -8.955 -1.067 -20.768 1.00 51.42 C ATOM 1078 C LYS A 80 -8.777 -1.510 -22.217 1.00 12.31 C ATOM 1079 O LYS A 80 -8.860 -2.698 -22.527 1.00 54.41 O ATOM 1080 CB LYS A 80 -10.028 0.021 -20.685 1.00 14.04 C ATOM 1081 CG LYS A 80 -11.431 -0.485 -20.974 1.00 30.14 C ATOM 1082 CD LYS A 80 -12.428 0.658 -21.067 1.00 31.33 C ATOM 1083 CE LYS A 80 -13.123 0.682 -22.419 1.00 51.25 C ATOM 1084 NZ LYS A 80 -13.737 2.009 -22.704 1.00 23.12 N ATOM 0 H LYS A 80 -7.727 0.387 -19.890 1.00 51.13 H new ATOM 0 HA LYS A 80 -9.272 -1.928 -20.179 1.00 51.42 H new ATOM 0 HB2 LYS A 80 -10.008 0.464 -19.689 1.00 14.04 H new ATOM 0 HB3 LYS A 80 -9.784 0.815 -21.391 1.00 14.04 H new ATOM 0 HG2 LYS A 80 -11.431 -1.046 -21.909 1.00 30.14 H new ATOM 0 HG3 LYS A 80 -11.739 -1.175 -20.188 1.00 30.14 H new ATOM 0 HD2 LYS A 80 -13.172 0.559 -20.276 1.00 31.33 H new ATOM 0 HD3 LYS A 80 -11.914 1.605 -20.904 1.00 31.33 H new ATOM 0 HE2 LYS A 80 -12.404 0.439 -23.201 1.00 51.25 H new ATOM 0 HE3 LYS A 80 -13.894 -0.088 -22.445 1.00 51.25 H new ATOM 0 HZ1 LYS A 80 -14.201 1.984 -23.635 1.00 23.12 H new ATOM 0 HZ2 LYS A 80 -14.442 2.230 -21.972 1.00 23.12 H new ATOM 0 HZ3 LYS A 80 -12.998 2.741 -22.705 1.00 23.12 H new ATOM 1098 N ALA A 81 -8.531 -0.547 -23.099 1.00 63.04 N ATOM 1099 CA ALA A 81 -8.337 -0.839 -24.514 1.00 55.03 C ATOM 1100 C ALA A 81 -7.008 -0.283 -25.013 1.00 21.20 C ATOM 1101 O ALA A 81 -6.411 0.605 -24.404 1.00 12.00 O ATOM 1102 CB ALA A 81 -9.489 -0.272 -25.332 1.00 64.21 C ATOM 0 H ALA A 81 -8.461 0.442 -22.859 1.00 63.04 H new ATOM 0 HA ALA A 81 -8.316 -1.922 -24.637 1.00 55.03 H new ATOM 0 HB1 ALA A 81 -9.332 -0.497 -26.387 1.00 64.21 H new ATOM 0 HB2 ALA A 81 -10.426 -0.721 -25.001 1.00 64.21 H new ATOM 0 HB3 ALA A 81 -9.536 0.808 -25.195 1.00 64.21 H new ATOM 1108 N PRO A 82 -6.530 -0.817 -26.147 1.00 34.21 N ATOM 1109 CA PRO A 82 -5.266 -0.389 -26.752 1.00 64.42 C ATOM 1110 C PRO A 82 -5.348 1.018 -27.334 1.00 71.41 C ATOM 1111 O PRO A 82 -6.427 1.593 -27.479 1.00 42.13 O ATOM 1112 CB PRO A 82 -5.040 -1.416 -27.865 1.00 2.10 C ATOM 1113 CG PRO A 82 -6.403 -1.909 -28.208 1.00 31.12 C ATOM 1114 CD PRO A 82 -7.189 -1.879 -26.926 1.00 23.41 C ATOM 0 HA PRO A 82 -4.458 -0.347 -26.021 1.00 64.42 H new ATOM 0 HB2 PRO A 82 -4.554 -0.963 -28.729 1.00 2.10 H new ATOM 0 HB3 PRO A 82 -4.398 -2.230 -27.528 1.00 2.10 H new ATOM 0 HG2 PRO A 82 -6.867 -1.277 -28.965 1.00 31.12 H new ATOM 0 HG3 PRO A 82 -6.361 -2.919 -28.617 1.00 31.12 H new ATOM 0 HD2 PRO A 82 -8.240 -1.653 -27.104 1.00 23.41 H new ATOM 0 HD3 PRO A 82 -7.152 -2.838 -26.409 1.00 23.41 H new ATOM 1122 N PRO A 83 -4.183 1.587 -27.676 1.00 63.43 N ATOM 1123 CA PRO A 83 -4.097 2.933 -28.249 1.00 53.31 C ATOM 1124 C PRO A 83 -4.657 2.997 -29.666 1.00 41.11 C ATOM 1125 O PRO A 83 -5.189 4.024 -30.087 1.00 70.45 O ATOM 1126 CB PRO A 83 -2.594 3.222 -28.254 1.00 70.24 C ATOM 1127 CG PRO A 83 -1.951 1.879 -28.299 1.00 63.14 C ATOM 1128 CD PRO A 83 -2.859 0.959 -27.531 1.00 64.21 C ATOM 0 HA PRO A 83 -4.682 3.656 -27.680 1.00 53.31 H new ATOM 0 HB2 PRO A 83 -2.310 3.826 -29.116 1.00 70.24 H new ATOM 0 HB3 PRO A 83 -2.294 3.775 -27.364 1.00 70.24 H new ATOM 0 HG2 PRO A 83 -1.830 1.539 -29.327 1.00 63.14 H new ATOM 0 HG3 PRO A 83 -0.957 1.907 -27.853 1.00 63.14 H new ATOM 0 HD2 PRO A 83 -2.847 -0.051 -27.940 1.00 64.21 H new ATOM 0 HD3 PRO A 83 -2.563 0.883 -26.485 1.00 64.21 H new ATOM 1136 N MET A 84 -4.533 1.894 -30.396 1.00 74.44 N ATOM 1137 CA MET A 84 -5.029 1.825 -31.766 1.00 71.22 C ATOM 1138 C MET A 84 -4.347 2.869 -32.644 1.00 52.32 C ATOM 1139 O MET A 84 -4.779 4.021 -32.704 1.00 64.11 O ATOM 1140 CB MET A 84 -6.545 2.030 -31.794 1.00 20.44 C ATOM 1141 CG MET A 84 -7.319 0.784 -32.194 1.00 52.32 C ATOM 1142 SD MET A 84 -8.196 0.984 -33.757 1.00 12.51 S ATOM 1143 CE MET A 84 -9.735 0.144 -33.391 1.00 53.34 C ATOM 0 H MET A 84 -4.094 1.036 -30.062 1.00 74.44 H new ATOM 0 HA MET A 84 -4.796 0.836 -32.160 1.00 71.22 H new ATOM 0 HB2 MET A 84 -6.878 2.354 -30.808 1.00 20.44 H new ATOM 0 HB3 MET A 84 -6.782 2.834 -32.490 1.00 20.44 H new ATOM 0 HG2 MET A 84 -6.630 -0.057 -32.273 1.00 52.32 H new ATOM 0 HG3 MET A 84 -8.034 0.538 -31.409 1.00 52.32 H new ATOM 0 HE1 MET A 84 -10.387 0.182 -34.264 1.00 53.34 H new ATOM 0 HE2 MET A 84 -9.530 -0.896 -33.136 1.00 53.34 H new ATOM 0 HE3 MET A 84 -10.226 0.634 -32.550 1.00 53.34 H new ATOM 1153 N TYR A 85 -3.281 2.460 -33.323 1.00 13.10 N ATOM 1154 CA TYR A 85 -2.538 3.362 -34.196 1.00 34.35 C ATOM 1155 C TYR A 85 -2.563 2.866 -35.638 1.00 42.53 C ATOM 1156 O TYR A 85 -2.195 1.726 -35.921 1.00 52.14 O ATOM 1157 CB TYR A 85 -1.092 3.494 -33.715 1.00 15.45 C ATOM 1158 CG TYR A 85 -0.644 4.927 -33.532 1.00 70.22 C ATOM 1159 CD1 TYR A 85 0.049 5.318 -32.393 1.00 44.55 C ATOM 1160 CD2 TYR A 85 -0.914 5.889 -34.498 1.00 34.44 C ATOM 1161 CE1 TYR A 85 0.461 6.626 -32.222 1.00 54.20 C ATOM 1162 CE2 TYR A 85 -0.506 7.198 -34.335 1.00 42.13 C ATOM 1163 CZ TYR A 85 0.181 7.562 -33.196 1.00 0.11 C ATOM 1164 OH TYR A 85 0.588 8.866 -33.030 1.00 25.12 O ATOM 0 H TYR A 85 -2.912 1.510 -33.286 1.00 13.10 H new ATOM 0 HA TYR A 85 -3.017 4.340 -34.159 1.00 34.35 H new ATOM 0 HB2 TYR A 85 -0.983 2.964 -32.769 1.00 15.45 H new ATOM 0 HB3 TYR A 85 -0.433 3.005 -34.432 1.00 15.45 H new ATOM 0 HD1 TYR A 85 0.269 4.588 -31.629 1.00 44.55 H new ATOM 0 HD2 TYR A 85 -1.452 5.608 -35.391 1.00 34.44 H new ATOM 0 HE1 TYR A 85 0.999 6.914 -31.331 1.00 54.20 H new ATOM 0 HE2 TYR A 85 -0.724 7.933 -35.096 1.00 42.13 H new ATOM 0 HH TYR A 85 0.313 9.396 -33.807 1.00 25.12 H new ATOM 1174 N ASP A 86 -2.998 3.733 -36.547 1.00 30.43 N ATOM 1175 CA ASP A 86 -3.070 3.386 -37.961 1.00 65.23 C ATOM 1176 C ASP A 86 -1.734 2.838 -38.455 1.00 1.13 C ATOM 1177 O ASP A 86 -1.688 1.835 -39.166 1.00 71.54 O ATOM 1178 CB ASP A 86 -3.470 4.608 -38.788 1.00 54.34 C ATOM 1179 CG ASP A 86 -4.951 4.916 -38.687 1.00 35.40 C ATOM 1180 OD1 ASP A 86 -5.421 5.212 -37.568 1.00 40.32 O ATOM 1181 OD2 ASP A 86 -5.641 4.860 -39.726 1.00 50.24 O ATOM 0 H ASP A 86 -3.306 4.681 -36.329 1.00 30.43 H new ATOM 0 HA ASP A 86 -3.827 2.611 -38.081 1.00 65.23 H new ATOM 0 HB2 ASP A 86 -2.898 5.473 -38.452 1.00 54.34 H new ATOM 0 HB3 ASP A 86 -3.208 4.438 -39.832 1.00 54.34 H new ATOM 1186 N ASP A 87 -0.650 3.504 -38.073 1.00 1.21 N ATOM 1187 CA ASP A 87 0.687 3.084 -38.476 1.00 41.43 C ATOM 1188 C ASP A 87 0.915 1.611 -38.153 1.00 12.11 C ATOM 1189 O ASP A 87 1.123 0.793 -39.049 1.00 33.10 O ATOM 1190 CB ASP A 87 1.746 3.942 -37.780 1.00 74.44 C ATOM 1191 CG ASP A 87 2.877 4.333 -38.711 1.00 20.33 C ATOM 1192 OD1 ASP A 87 3.877 3.586 -38.776 1.00 55.54 O ATOM 1193 OD2 ASP A 87 2.763 5.384 -39.374 1.00 13.53 O ATOM 0 H ASP A 87 -0.671 4.337 -37.485 1.00 1.21 H new ATOM 0 HA ASP A 87 0.773 3.218 -39.554 1.00 41.43 H new ATOM 0 HB2 ASP A 87 1.277 4.843 -37.384 1.00 74.44 H new ATOM 0 HB3 ASP A 87 2.152 3.394 -36.930 1.00 74.44 H new ATOM 1198 N VAL A 88 0.875 1.280 -36.866 1.00 62.22 N ATOM 1199 CA VAL A 88 1.077 -0.095 -36.424 1.00 42.21 C ATOM 1200 C VAL A 88 0.000 -0.517 -35.431 1.00 52.43 C ATOM 1201 O VAL A 88 -0.286 0.197 -34.471 1.00 1.53 O ATOM 1202 CB VAL A 88 2.461 -0.277 -35.772 1.00 35.12 C ATOM 1203 CG1 VAL A 88 2.652 -1.717 -35.320 1.00 2.35 C ATOM 1204 CG2 VAL A 88 3.562 0.139 -36.735 1.00 1.13 C ATOM 0 H VAL A 88 0.705 1.945 -36.112 1.00 62.22 H new ATOM 0 HA VAL A 88 1.016 -0.725 -37.311 1.00 42.21 H new ATOM 0 HB VAL A 88 2.517 0.365 -34.893 1.00 35.12 H new ATOM 0 HG11 VAL A 88 3.635 -1.827 -34.862 1.00 2.35 H new ATOM 0 HG12 VAL A 88 1.882 -1.975 -34.593 1.00 2.35 H new ATOM 0 HG13 VAL A 88 2.576 -2.382 -36.181 1.00 2.35 H new ATOM 0 HG21 VAL A 88 4.533 0.004 -36.258 1.00 1.13 H new ATOM 0 HG22 VAL A 88 3.511 -0.476 -37.634 1.00 1.13 H new ATOM 0 HG23 VAL A 88 3.433 1.187 -37.004 1.00 1.13 H new ATOM 1214 N GLN A 89 -0.594 -1.681 -35.670 1.00 71.45 N ATOM 1215 CA GLN A 89 -1.641 -2.198 -34.797 1.00 23.33 C ATOM 1216 C GLN A 89 -1.083 -2.530 -33.417 1.00 20.34 C ATOM 1217 O GLN A 89 -0.193 -3.371 -33.281 1.00 32.23 O ATOM 1218 CB GLN A 89 -2.281 -3.443 -35.414 1.00 12.21 C ATOM 1219 CG GLN A 89 -3.710 -3.222 -35.885 1.00 24.04 C ATOM 1220 CD GLN A 89 -4.731 -3.493 -34.797 1.00 42.24 C ATOM 1221 OE1 GLN A 89 -5.363 -4.549 -34.773 1.00 31.23 O ATOM 1222 NE2 GLN A 89 -4.897 -2.538 -33.890 1.00 55.42 N ATOM 0 H GLN A 89 -0.368 -2.284 -36.461 1.00 71.45 H new ATOM 0 HA GLN A 89 -2.401 -1.425 -34.686 1.00 23.33 H new ATOM 0 HB2 GLN A 89 -1.676 -3.772 -36.259 1.00 12.21 H new ATOM 0 HB3 GLN A 89 -2.269 -4.249 -34.680 1.00 12.21 H new ATOM 0 HG2 GLN A 89 -3.819 -2.195 -36.233 1.00 24.04 H new ATOM 0 HG3 GLN A 89 -3.912 -3.870 -36.737 1.00 24.04 H new ATOM 0 HE21 GLN A 89 -4.351 -1.678 -33.949 1.00 55.42 H new ATOM 0 HE22 GLN A 89 -5.570 -2.664 -33.134 1.00 55.42 H new ATOM 1231 N LEU A 90 -1.611 -1.865 -32.395 1.00 43.11 N ATOM 1232 CA LEU A 90 -1.165 -2.089 -31.024 1.00 54.11 C ATOM 1233 C LEU A 90 -2.096 -3.056 -30.300 1.00 74.54 C ATOM 1234 O LEU A 90 -3.317 -2.986 -30.444 1.00 55.13 O ATOM 1235 CB LEU A 90 -1.100 -0.762 -30.265 1.00 62.51 C ATOM 1236 CG LEU A 90 0.296 -0.295 -29.850 1.00 53.12 C ATOM 1237 CD1 LEU A 90 0.910 -1.267 -28.855 1.00 44.31 C ATOM 1238 CD2 LEU A 90 1.191 -0.141 -31.071 1.00 3.22 C ATOM 0 H LEU A 90 -2.348 -1.166 -32.490 1.00 43.11 H new ATOM 0 HA LEU A 90 -0.169 -2.530 -31.059 1.00 54.11 H new ATOM 0 HB2 LEU A 90 -1.551 0.012 -30.887 1.00 62.51 H new ATOM 0 HB3 LEU A 90 -1.714 -0.848 -29.369 1.00 62.51 H new ATOM 0 HG LEU A 90 0.205 0.678 -29.366 1.00 53.12 H new ATOM 0 HD11 LEU A 90 1.903 -0.918 -28.571 1.00 44.31 H new ATOM 0 HD12 LEU A 90 0.279 -1.327 -27.968 1.00 44.31 H new ATOM 0 HD13 LEU A 90 0.989 -2.254 -29.311 1.00 44.31 H new ATOM 0 HD21 LEU A 90 2.180 0.192 -30.757 1.00 3.22 H new ATOM 0 HD22 LEU A 90 1.276 -1.100 -31.583 1.00 3.22 H new ATOM 0 HD23 LEU A 90 0.758 0.595 -31.749 1.00 3.22 H new ATOM 1250 N THR A 91 -1.512 -3.960 -29.519 1.00 41.24 N ATOM 1251 CA THR A 91 -2.288 -4.941 -28.772 1.00 53.11 C ATOM 1252 C THR A 91 -1.931 -4.912 -27.290 1.00 53.54 C ATOM 1253 O THR A 91 -0.882 -5.411 -26.885 1.00 34.30 O ATOM 1254 CB THR A 91 -2.065 -6.365 -29.314 1.00 62.32 C ATOM 1255 OG1 THR A 91 -1.779 -6.317 -30.716 1.00 40.45 O ATOM 1256 CG2 THR A 91 -3.289 -7.235 -29.071 1.00 23.31 C ATOM 0 H THR A 91 -0.503 -4.032 -29.388 1.00 41.24 H new ATOM 0 HA THR A 91 -3.337 -4.674 -28.896 1.00 53.11 H new ATOM 0 HB THR A 91 -1.218 -6.802 -28.785 1.00 62.32 H new ATOM 0 HG1 THR A 91 -1.637 -7.226 -31.052 1.00 40.45 H new ATOM 0 HG21 THR A 91 -3.107 -8.236 -29.462 1.00 23.31 H new ATOM 0 HG22 THR A 91 -3.487 -7.294 -28.001 1.00 23.31 H new ATOM 0 HG23 THR A 91 -4.151 -6.799 -29.576 1.00 23.31 H new ATOM 1264 N ALA A 92 -2.811 -4.323 -26.486 1.00 62.41 N ATOM 1265 CA ALA A 92 -2.589 -4.232 -25.048 1.00 51.44 C ATOM 1266 C ALA A 92 -3.566 -5.119 -24.285 1.00 21.05 C ATOM 1267 O ALA A 92 -4.729 -5.247 -24.665 1.00 31.12 O ATOM 1268 CB ALA A 92 -2.713 -2.787 -24.586 1.00 71.24 C ATOM 0 H ALA A 92 -3.683 -3.902 -26.806 1.00 62.41 H new ATOM 0 HA ALA A 92 -1.579 -4.584 -24.838 1.00 51.44 H new ATOM 0 HB1 ALA A 92 -2.545 -2.733 -23.510 1.00 71.24 H new ATOM 0 HB2 ALA A 92 -1.971 -2.176 -25.100 1.00 71.24 H new ATOM 0 HB3 ALA A 92 -3.712 -2.416 -24.816 1.00 71.24 H new ATOM 1274 N GLU A 93 -3.085 -5.730 -23.206 1.00 44.04 N ATOM 1275 CA GLU A 93 -3.917 -6.607 -22.391 1.00 5.22 C ATOM 1276 C GLU A 93 -4.118 -6.023 -20.996 1.00 10.45 C ATOM 1277 O GLU A 93 -3.430 -5.082 -20.600 1.00 22.33 O ATOM 1278 CB GLU A 93 -3.284 -7.996 -22.287 1.00 63.14 C ATOM 1279 CG GLU A 93 -3.703 -8.940 -23.401 1.00 71.44 C ATOM 1280 CD GLU A 93 -5.173 -9.306 -23.334 1.00 31.25 C ATOM 1281 OE1 GLU A 93 -5.689 -9.479 -22.210 1.00 35.15 O ATOM 1282 OE2 GLU A 93 -5.807 -9.420 -24.403 1.00 41.24 O ATOM 0 H GLU A 93 -2.124 -5.634 -22.877 1.00 44.04 H new ATOM 0 HA GLU A 93 -4.890 -6.694 -22.874 1.00 5.22 H new ATOM 0 HB2 GLU A 93 -2.199 -7.893 -22.298 1.00 63.14 H new ATOM 0 HB3 GLU A 93 -3.553 -8.438 -21.327 1.00 63.14 H new ATOM 0 HG2 GLU A 93 -3.492 -8.476 -24.364 1.00 71.44 H new ATOM 0 HG3 GLU A 93 -3.103 -9.849 -23.347 1.00 71.44 H new ATOM 1289 N MET A 94 -5.067 -6.587 -20.256 1.00 1.25 N ATOM 1290 CA MET A 94 -5.359 -6.123 -18.904 1.00 41.43 C ATOM 1291 C MET A 94 -4.735 -7.048 -17.865 1.00 31.33 C ATOM 1292 O MET A 94 -4.471 -8.219 -18.139 1.00 72.24 O ATOM 1293 CB MET A 94 -6.871 -6.038 -18.687 1.00 1.12 C ATOM 1294 CG MET A 94 -7.269 -5.129 -17.535 1.00 53.14 C ATOM 1295 SD MET A 94 -8.725 -4.133 -17.908 1.00 74.04 S ATOM 1296 CE MET A 94 -9.252 -3.672 -16.260 1.00 21.45 C ATOM 0 H MET A 94 -5.647 -7.366 -20.569 1.00 1.25 H new ATOM 0 HA MET A 94 -4.926 -5.130 -18.786 1.00 41.43 H new ATOM 0 HB2 MET A 94 -7.342 -5.679 -19.602 1.00 1.12 H new ATOM 0 HB3 MET A 94 -7.260 -7.039 -18.500 1.00 1.12 H new ATOM 0 HG2 MET A 94 -7.465 -5.735 -16.650 1.00 53.14 H new ATOM 0 HG3 MET A 94 -6.435 -4.470 -17.292 1.00 53.14 H new ATOM 0 HE1 MET A 94 -10.146 -3.051 -16.324 1.00 21.45 H new ATOM 0 HE2 MET A 94 -9.475 -4.571 -15.685 1.00 21.45 H new ATOM 0 HE3 MET A 94 -8.457 -3.113 -15.767 1.00 21.45 H new ATOM 1306 N LYS A 95 -4.501 -6.516 -16.670 1.00 21.31 N ATOM 1307 CA LYS A 95 -3.909 -7.294 -15.588 1.00 61.31 C ATOM 1308 C LYS A 95 -4.855 -8.400 -15.132 1.00 71.44 C ATOM 1309 O LYS A 95 -4.423 -9.504 -14.800 1.00 24.45 O ATOM 1310 CB LYS A 95 -3.565 -6.384 -14.407 1.00 23.21 C ATOM 1311 CG LYS A 95 -4.743 -5.569 -13.903 1.00 74.42 C ATOM 1312 CD LYS A 95 -4.354 -4.696 -12.722 1.00 61.51 C ATOM 1313 CE LYS A 95 -5.514 -3.823 -12.268 1.00 24.42 C ATOM 1314 NZ LYS A 95 -5.056 -2.474 -11.836 1.00 42.43 N ATOM 0 H LYS A 95 -4.713 -5.548 -16.426 1.00 21.31 H new ATOM 0 HA LYS A 95 -2.995 -7.754 -15.963 1.00 61.31 H new ATOM 0 HB2 LYS A 95 -3.180 -6.994 -13.590 1.00 23.21 H new ATOM 0 HB3 LYS A 95 -2.765 -5.706 -14.703 1.00 23.21 H new ATOM 0 HG2 LYS A 95 -5.124 -4.943 -14.709 1.00 74.42 H new ATOM 0 HG3 LYS A 95 -5.551 -6.239 -13.610 1.00 74.42 H new ATOM 0 HD2 LYS A 95 -4.026 -5.326 -11.895 1.00 61.51 H new ATOM 0 HD3 LYS A 95 -3.509 -4.065 -12.997 1.00 61.51 H new ATOM 0 HE2 LYS A 95 -6.231 -3.720 -13.082 1.00 24.42 H new ATOM 0 HE3 LYS A 95 -6.035 -4.311 -11.444 1.00 24.42 H new ATOM 0 HZ1 LYS A 95 -5.876 -1.909 -11.534 1.00 42.43 H new ATOM 0 HZ2 LYS A 95 -4.391 -2.571 -11.042 1.00 42.43 H new ATOM 0 HZ3 LYS A 95 -4.581 -1.998 -12.629 1.00 42.43 H new ATOM 1328 N THR A 96 -6.150 -8.098 -15.121 1.00 22.22 N ATOM 1329 CA THR A 96 -7.157 -9.067 -14.706 1.00 50.45 C ATOM 1330 C THR A 96 -7.150 -10.290 -15.616 1.00 31.25 C ATOM 1331 O THR A 96 -7.175 -11.428 -15.144 1.00 42.31 O ATOM 1332 CB THR A 96 -8.567 -8.447 -14.710 1.00 12.23 C ATOM 1333 OG1 THR A 96 -8.482 -7.035 -14.484 1.00 34.30 O ATOM 1334 CG2 THR A 96 -9.441 -9.085 -13.641 1.00 12.14 C ATOM 0 H THR A 96 -6.526 -7.190 -15.395 1.00 22.22 H new ATOM 0 HA THR A 96 -6.904 -9.371 -13.690 1.00 50.45 H new ATOM 0 HB THR A 96 -9.019 -8.632 -15.685 1.00 12.23 H new ATOM 0 HG1 THR A 96 -9.382 -6.648 -14.490 1.00 34.30 H new ATOM 0 HG21 THR A 96 -10.432 -8.631 -13.663 1.00 12.14 H new ATOM 0 HG22 THR A 96 -9.527 -10.155 -13.832 1.00 12.14 H new ATOM 0 HG23 THR A 96 -8.991 -8.927 -12.661 1.00 12.14 H new ATOM 1342 N THR A 97 -7.116 -10.051 -16.923 1.00 4.52 N ATOM 1343 CA THR A 97 -7.106 -11.133 -17.898 1.00 63.24 C ATOM 1344 C THR A 97 -5.933 -12.078 -17.659 1.00 55.15 C ATOM 1345 O THR A 97 -6.110 -13.294 -17.580 1.00 1.23 O ATOM 1346 CB THR A 97 -7.028 -10.591 -19.338 1.00 74.32 C ATOM 1347 OG1 THR A 97 -8.075 -9.640 -19.561 1.00 34.15 O ATOM 1348 CG2 THR A 97 -7.141 -11.723 -20.349 1.00 10.41 C ATOM 0 H THR A 97 -7.095 -9.116 -17.331 1.00 4.52 H new ATOM 0 HA THR A 97 -8.041 -11.679 -17.773 1.00 63.24 H new ATOM 0 HB THR A 97 -6.062 -10.104 -19.467 1.00 74.32 H new ATOM 0 HG1 THR A 97 -8.017 -9.299 -20.478 1.00 34.15 H new ATOM 0 HG21 THR A 97 -7.083 -11.316 -21.359 1.00 10.41 H new ATOM 0 HG22 THR A 97 -6.326 -12.430 -20.196 1.00 10.41 H new ATOM 0 HG23 THR A 97 -8.095 -12.234 -20.218 1.00 10.41 H new ATOM 1356 N TYR A 98 -4.737 -11.512 -17.545 1.00 53.34 N ATOM 1357 CA TYR A 98 -3.535 -12.304 -17.317 1.00 71.51 C ATOM 1358 C TYR A 98 -3.657 -13.123 -16.035 1.00 54.42 C ATOM 1359 O TYR A 98 -3.379 -14.322 -16.021 1.00 60.42 O ATOM 1360 CB TYR A 98 -2.307 -11.396 -17.240 1.00 62.14 C ATOM 1361 CG TYR A 98 -1.528 -11.321 -18.534 1.00 42.30 C ATOM 1362 CD1 TYR A 98 -0.141 -11.411 -18.539 1.00 11.12 C ATOM 1363 CD2 TYR A 98 -2.178 -11.158 -19.751 1.00 63.31 C ATOM 1364 CE1 TYR A 98 0.575 -11.342 -19.718 1.00 41.12 C ATOM 1365 CE2 TYR A 98 -1.470 -11.090 -20.935 1.00 41.34 C ATOM 1366 CZ TYR A 98 -0.094 -11.182 -20.914 1.00 2.32 C ATOM 1367 OH TYR A 98 0.615 -11.112 -22.091 1.00 61.42 O ATOM 0 H TYR A 98 -4.574 -10.507 -17.607 1.00 53.34 H new ATOM 0 HA TYR A 98 -3.419 -12.990 -18.156 1.00 71.51 H new ATOM 0 HB2 TYR A 98 -2.625 -10.392 -16.958 1.00 62.14 H new ATOM 0 HB3 TYR A 98 -1.648 -11.756 -16.449 1.00 62.14 H new ATOM 0 HD1 TYR A 98 0.386 -11.537 -17.605 1.00 11.12 H new ATOM 0 HD2 TYR A 98 -3.255 -11.083 -19.772 1.00 63.31 H new ATOM 0 HE1 TYR A 98 1.653 -11.413 -19.704 1.00 41.12 H new ATOM 0 HE2 TYR A 98 -1.991 -10.965 -21.873 1.00 41.34 H new ATOM 0 HH TYR A 98 -0.006 -11.000 -22.841 1.00 61.42 H new ATOM 1377 N LEU A 99 -4.076 -12.465 -14.960 1.00 33.25 N ATOM 1378 CA LEU A 99 -4.237 -13.130 -13.671 1.00 31.10 C ATOM 1379 C LEU A 99 -5.155 -14.342 -13.794 1.00 61.14 C ATOM 1380 O LEU A 99 -4.877 -15.402 -13.234 1.00 52.12 O ATOM 1381 CB LEU A 99 -4.800 -12.153 -12.637 1.00 50.15 C ATOM 1382 CG LEU A 99 -4.813 -12.642 -11.189 1.00 4.23 C ATOM 1383 CD1 LEU A 99 -3.473 -12.371 -10.522 1.00 64.24 C ATOM 1384 CD2 LEU A 99 -5.940 -11.978 -10.412 1.00 33.33 C ATOM 0 H LEU A 99 -4.310 -11.472 -14.955 1.00 33.25 H new ATOM 0 HA LEU A 99 -3.256 -13.472 -13.342 1.00 31.10 H new ATOM 0 HB2 LEU A 99 -4.219 -11.232 -12.683 1.00 50.15 H new ATOM 0 HB3 LEU A 99 -5.821 -11.901 -12.923 1.00 50.15 H new ATOM 0 HG LEU A 99 -4.984 -13.718 -11.191 1.00 4.23 H new ATOM 0 HD11 LEU A 99 -3.501 -12.726 -9.492 1.00 64.24 H new ATOM 0 HD12 LEU A 99 -2.685 -12.893 -11.064 1.00 64.24 H new ATOM 0 HD13 LEU A 99 -3.272 -11.300 -10.531 1.00 64.24 H new ATOM 0 HD21 LEU A 99 -5.934 -12.338 -9.383 1.00 33.33 H new ATOM 0 HD22 LEU A 99 -5.799 -10.897 -10.419 1.00 33.33 H new ATOM 0 HD23 LEU A 99 -6.895 -12.222 -10.876 1.00 33.33 H new ATOM 1396 N GLU A 100 -6.248 -14.178 -14.533 1.00 42.32 N ATOM 1397 CA GLU A 100 -7.205 -15.260 -14.731 1.00 13.41 C ATOM 1398 C GLU A 100 -6.581 -16.399 -15.532 1.00 54.43 C ATOM 1399 O GLU A 100 -6.816 -17.573 -15.248 1.00 34.12 O ATOM 1400 CB GLU A 100 -8.454 -14.741 -15.448 1.00 24.13 C ATOM 1401 CG GLU A 100 -9.752 -15.293 -14.884 1.00 54.14 C ATOM 1402 CD GLU A 100 -10.945 -14.409 -15.195 1.00 30.50 C ATOM 1403 OE1 GLU A 100 -11.106 -13.372 -14.519 1.00 44.51 O ATOM 1404 OE2 GLU A 100 -11.718 -14.756 -16.113 1.00 5.41 O ATOM 0 H GLU A 100 -6.492 -13.307 -15.004 1.00 42.32 H new ATOM 0 HA GLU A 100 -7.490 -15.643 -13.751 1.00 13.41 H new ATOM 0 HB2 GLU A 100 -8.474 -13.653 -15.385 1.00 24.13 H new ATOM 0 HB3 GLU A 100 -8.389 -14.997 -16.505 1.00 24.13 H new ATOM 0 HG2 GLU A 100 -9.926 -16.289 -15.291 1.00 54.14 H new ATOM 0 HG3 GLU A 100 -9.657 -15.402 -13.804 1.00 54.14 H new ATOM 1411 N ARG A 101 -5.786 -16.042 -16.535 1.00 40.14 N ATOM 1412 CA ARG A 101 -5.130 -17.033 -17.379 1.00 64.05 C ATOM 1413 C ARG A 101 -4.223 -17.939 -16.550 1.00 55.35 C ATOM 1414 O ARG A 101 -4.393 -19.158 -16.534 1.00 62.14 O ATOM 1415 CB ARG A 101 -4.314 -16.342 -18.474 1.00 74.22 C ATOM 1416 CG ARG A 101 -4.889 -16.527 -19.869 1.00 44.24 C ATOM 1417 CD ARG A 101 -5.352 -15.205 -20.461 1.00 2.54 C ATOM 1418 NE ARG A 101 -4.276 -14.513 -21.166 1.00 24.43 N ATOM 1419 CZ ARG A 101 -3.742 -14.950 -22.301 1.00 24.22 C ATOM 1420 NH1 ARG A 101 -4.182 -16.071 -22.857 1.00 1.45 N ATOM 1421 NH2 ARG A 101 -2.765 -14.266 -22.883 1.00 12.53 N ATOM 0 H ARG A 101 -5.581 -15.074 -16.783 1.00 40.14 H new ATOM 0 HA ARG A 101 -5.902 -17.647 -17.843 1.00 64.05 H new ATOM 0 HB2 ARG A 101 -4.254 -15.276 -18.253 1.00 74.22 H new ATOM 0 HB3 ARG A 101 -3.295 -16.729 -18.456 1.00 74.22 H new ATOM 0 HG2 ARG A 101 -4.136 -16.973 -20.518 1.00 44.24 H new ATOM 0 HG3 ARG A 101 -5.727 -17.222 -19.829 1.00 44.24 H new ATOM 0 HD2 ARG A 101 -6.178 -15.386 -21.149 1.00 2.54 H new ATOM 0 HD3 ARG A 101 -5.734 -14.565 -19.665 1.00 2.54 H new ATOM 0 HE ARG A 101 -3.915 -13.647 -20.765 1.00 24.43 H new ATOM 0 HH11 ARG A 101 -4.933 -16.600 -22.413 1.00 1.45 H new ATOM 0 HH12 ARG A 101 -3.770 -16.404 -23.729 1.00 1.45 H new ATOM 0 HH21 ARG A 101 -2.423 -13.404 -22.459 1.00 12.53 H new ATOM 0 HH22 ARG A 101 -2.356 -14.603 -23.755 1.00 12.53 H new ATOM 1435 N LYS A 102 -3.260 -17.334 -15.863 1.00 75.01 N ATOM 1436 CA LYS A 102 -2.327 -18.084 -15.031 1.00 32.00 C ATOM 1437 C LYS A 102 -3.069 -18.870 -13.954 1.00 42.22 C ATOM 1438 O LYS A 102 -2.737 -20.021 -13.674 1.00 34.31 O ATOM 1439 CB LYS A 102 -1.317 -17.136 -14.381 1.00 25.51 C ATOM 1440 CG LYS A 102 -1.959 -16.026 -13.569 1.00 14.42 C ATOM 1441 CD LYS A 102 -0.931 -15.009 -13.102 1.00 40.13 C ATOM 1442 CE LYS A 102 -0.121 -15.535 -11.927 1.00 41.52 C ATOM 1443 NZ LYS A 102 0.173 -14.465 -10.934 1.00 5.12 N ATOM 0 H LYS A 102 -3.105 -16.326 -15.866 1.00 75.01 H new ATOM 0 HA LYS A 102 -1.795 -18.790 -15.669 1.00 32.00 H new ATOM 0 HB2 LYS A 102 -0.656 -17.712 -13.734 1.00 25.51 H new ATOM 0 HB3 LYS A 102 -0.695 -16.693 -15.159 1.00 25.51 H new ATOM 0 HG2 LYS A 102 -2.718 -15.527 -14.171 1.00 14.42 H new ATOM 0 HG3 LYS A 102 -2.467 -16.454 -12.705 1.00 14.42 H new ATOM 0 HD2 LYS A 102 -0.261 -14.762 -13.926 1.00 40.13 H new ATOM 0 HD3 LYS A 102 -1.435 -14.086 -12.814 1.00 40.13 H new ATOM 0 HE2 LYS A 102 -0.669 -16.342 -11.440 1.00 41.52 H new ATOM 0 HE3 LYS A 102 0.814 -15.959 -12.292 1.00 41.52 H new ATOM 0 HZ1 LYS A 102 0.726 -14.863 -10.149 1.00 5.12 H new ATOM 0 HZ2 LYS A 102 0.718 -13.707 -11.392 1.00 5.12 H new ATOM 0 HZ3 LYS A 102 -0.719 -14.077 -10.567 1.00 5.12 H new ATOM 1457 N ALA A 103 -4.074 -18.240 -13.355 1.00 72.13 N ATOM 1458 CA ALA A 103 -4.865 -18.882 -12.312 1.00 44.02 C ATOM 1459 C ALA A 103 -5.473 -20.189 -12.810 1.00 43.20 C ATOM 1460 O ALA A 103 -5.433 -21.205 -12.118 1.00 31.24 O ATOM 1461 CB ALA A 103 -5.957 -17.942 -11.824 1.00 4.24 C ATOM 0 H ALA A 103 -4.360 -17.286 -13.574 1.00 72.13 H new ATOM 0 HA ALA A 103 -4.202 -19.115 -11.479 1.00 44.02 H new ATOM 0 HB1 ALA A 103 -6.540 -18.434 -11.046 1.00 4.24 H new ATOM 0 HB2 ALA A 103 -5.504 -17.037 -11.420 1.00 4.24 H new ATOM 0 HB3 ALA A 103 -6.611 -17.681 -12.656 1.00 4.24 H new ATOM 1467 N GLU A 104 -6.035 -20.154 -14.014 1.00 52.31 N ATOM 1468 CA GLU A 104 -6.653 -21.336 -14.603 1.00 21.24 C ATOM 1469 C GLU A 104 -5.598 -22.379 -14.963 1.00 53.41 C ATOM 1470 O GLU A 104 -5.822 -23.579 -14.813 1.00 24.34 O ATOM 1471 CB GLU A 104 -7.454 -20.954 -15.849 1.00 14.44 C ATOM 1472 CG GLU A 104 -8.744 -21.741 -16.009 1.00 23.44 C ATOM 1473 CD GLU A 104 -9.042 -22.084 -17.455 1.00 71.42 C ATOM 1474 OE1 GLU A 104 -9.043 -23.287 -17.791 1.00 22.40 O ATOM 1475 OE2 GLU A 104 -9.274 -21.151 -18.251 1.00 55.12 O ATOM 0 H GLU A 104 -6.075 -19.320 -14.600 1.00 52.31 H new ATOM 0 HA GLU A 104 -7.329 -21.767 -13.864 1.00 21.24 H new ATOM 0 HB2 GLU A 104 -7.690 -19.891 -15.807 1.00 14.44 H new ATOM 0 HB3 GLU A 104 -6.833 -21.108 -16.731 1.00 14.44 H new ATOM 0 HG2 GLU A 104 -8.679 -22.661 -15.427 1.00 23.44 H new ATOM 0 HG3 GLU A 104 -9.572 -21.162 -15.599 1.00 23.44 H new ATOM 1482 N GLU A 105 -4.450 -21.909 -15.440 1.00 64.42 N ATOM 1483 CA GLU A 105 -3.361 -22.801 -15.823 1.00 53.05 C ATOM 1484 C GLU A 105 -2.925 -23.665 -14.644 1.00 31.30 C ATOM 1485 O GLU A 105 -2.995 -24.893 -14.702 1.00 30.44 O ATOM 1486 CB GLU A 105 -2.171 -21.994 -16.346 1.00 51.21 C ATOM 1487 CG GLU A 105 -1.138 -22.836 -17.076 1.00 53.33 C ATOM 1488 CD GLU A 105 0.266 -22.279 -16.945 1.00 62.50 C ATOM 1489 OE1 GLU A 105 1.129 -22.977 -16.372 1.00 32.52 O ATOM 1490 OE2 GLU A 105 0.503 -21.147 -17.415 1.00 32.12 O ATOM 0 H GLU A 105 -4.250 -20.917 -15.570 1.00 64.42 H new ATOM 0 HA GLU A 105 -3.723 -23.455 -16.616 1.00 53.05 H new ATOM 0 HB2 GLU A 105 -2.536 -21.218 -17.019 1.00 51.21 H new ATOM 0 HB3 GLU A 105 -1.690 -21.489 -15.509 1.00 51.21 H new ATOM 0 HG2 GLU A 105 -1.160 -23.852 -16.683 1.00 53.33 H new ATOM 0 HG3 GLU A 105 -1.404 -22.896 -18.131 1.00 53.33 H new ATOM 1497 N ILE A 106 -2.475 -23.015 -13.576 1.00 63.13 N ATOM 1498 CA ILE A 106 -2.028 -23.723 -12.383 1.00 64.54 C ATOM 1499 C ILE A 106 -3.140 -24.597 -11.813 1.00 53.51 C ATOM 1500 O ILE A 106 -2.885 -25.677 -11.283 1.00 70.41 O ATOM 1501 CB ILE A 106 -1.549 -22.746 -11.294 1.00 45.44 C ATOM 1502 CG1 ILE A 106 -1.098 -23.514 -10.050 1.00 73.23 C ATOM 1503 CG2 ILE A 106 -2.654 -21.760 -10.944 1.00 24.41 C ATOM 1504 CD1 ILE A 106 0.197 -23.002 -9.460 1.00 31.43 C ATOM 0 H ILE A 106 -2.410 -21.999 -13.513 1.00 63.13 H new ATOM 0 HA ILE A 106 -1.192 -24.354 -12.686 1.00 64.54 H new ATOM 0 HB ILE A 106 -0.697 -22.185 -11.679 1.00 45.44 H new ATOM 0 HG12 ILE A 106 -1.881 -23.456 -9.293 1.00 73.23 H new ATOM 0 HG13 ILE A 106 -0.980 -24.567 -10.306 1.00 73.23 H new ATOM 0 HG21 ILE A 106 -2.300 -21.076 -10.173 1.00 24.41 H new ATOM 0 HG22 ILE A 106 -2.931 -21.193 -11.833 1.00 24.41 H new ATOM 0 HG23 ILE A 106 -3.524 -22.304 -10.575 1.00 24.41 H new ATOM 0 HD11 ILE A 106 0.455 -23.593 -8.581 1.00 31.43 H new ATOM 0 HD12 ILE A 106 0.992 -23.086 -10.201 1.00 31.43 H new ATOM 0 HD13 ILE A 106 0.078 -21.957 -9.172 1.00 31.43 H new ATOM 1516 N ALA A 107 -4.376 -24.120 -11.927 1.00 62.54 N ATOM 1517 CA ALA A 107 -5.528 -24.859 -11.427 1.00 34.12 C ATOM 1518 C ALA A 107 -5.580 -26.263 -12.019 1.00 71.33 C ATOM 1519 O ALA A 107 -5.845 -27.236 -11.313 1.00 42.32 O ATOM 1520 CB ALA A 107 -6.813 -24.106 -11.737 1.00 14.31 C ATOM 0 H ALA A 107 -4.604 -23.226 -12.361 1.00 62.54 H new ATOM 0 HA ALA A 107 -5.426 -24.953 -10.346 1.00 34.12 H new ATOM 0 HB1 ALA A 107 -7.665 -24.670 -11.358 1.00 14.31 H new ATOM 0 HB2 ALA A 107 -6.785 -23.126 -11.260 1.00 14.31 H new ATOM 0 HB3 ALA A 107 -6.911 -23.982 -12.815 1.00 14.31 H new ATOM 1526 N ALA A 108 -5.326 -26.361 -13.320 1.00 72.32 N ATOM 1527 CA ALA A 108 -5.343 -27.647 -14.007 1.00 4.11 C ATOM 1528 C ALA A 108 -4.179 -28.524 -13.558 1.00 43.02 C ATOM 1529 O ALA A 108 -4.326 -29.736 -13.401 1.00 64.32 O ATOM 1530 CB ALA A 108 -5.300 -27.441 -15.514 1.00 13.22 C ATOM 0 H ALA A 108 -5.106 -25.565 -13.919 1.00 72.32 H new ATOM 0 HA ALA A 108 -6.270 -28.158 -13.747 1.00 4.11 H new ATOM 0 HB1 ALA A 108 -5.313 -28.409 -16.014 1.00 13.22 H new ATOM 0 HB2 ALA A 108 -6.167 -26.859 -15.827 1.00 13.22 H new ATOM 0 HB3 ALA A 108 -4.389 -26.907 -15.782 1.00 13.22 H new ATOM 1536 N LYS A 109 -3.021 -27.904 -13.354 1.00 35.15 N ATOM 1537 CA LYS A 109 -1.831 -28.627 -12.922 1.00 73.51 C ATOM 1538 C LYS A 109 -2.018 -29.195 -11.518 1.00 51.55 C ATOM 1539 O LYS A 109 -1.862 -30.396 -11.297 1.00 11.52 O ATOM 1540 CB LYS A 109 -0.610 -27.706 -12.953 1.00 0.21 C ATOM 1541 CG LYS A 109 -0.264 -27.200 -14.343 1.00 34.32 C ATOM 1542 CD LYS A 109 0.569 -28.211 -15.112 1.00 45.14 C ATOM 1543 CE LYS A 109 -0.287 -29.029 -16.066 1.00 72.50 C ATOM 1544 NZ LYS A 109 0.160 -30.448 -16.135 1.00 21.24 N ATOM 0 H LYS A 109 -2.882 -26.902 -13.481 1.00 35.15 H new ATOM 0 HA LYS A 109 -1.670 -29.456 -13.611 1.00 73.51 H new ATOM 0 HB2 LYS A 109 -0.793 -26.853 -12.300 1.00 0.21 H new ATOM 0 HB3 LYS A 109 0.248 -28.241 -12.546 1.00 0.21 H new ATOM 0 HG2 LYS A 109 -1.181 -26.989 -14.893 1.00 34.32 H new ATOM 0 HG3 LYS A 109 0.284 -26.261 -14.264 1.00 34.32 H new ATOM 0 HD2 LYS A 109 1.346 -27.692 -15.673 1.00 45.14 H new ATOM 0 HD3 LYS A 109 1.073 -28.877 -14.411 1.00 45.14 H new ATOM 0 HE2 LYS A 109 -1.327 -28.991 -15.743 1.00 72.50 H new ATOM 0 HE3 LYS A 109 -0.246 -28.586 -17.061 1.00 72.50 H new ATOM 0 HZ1 LYS A 109 -0.449 -30.972 -16.796 1.00 21.24 H new ATOM 0 HZ2 LYS A 109 1.145 -30.486 -16.467 1.00 21.24 H new ATOM 0 HZ3 LYS A 109 0.096 -30.878 -15.190 1.00 21.24 H new ATOM 1558 N LYS A 110 -2.355 -28.323 -10.573 1.00 63.33 N ATOM 1559 CA LYS A 110 -2.566 -28.737 -9.191 1.00 50.22 C ATOM 1560 C LYS A 110 -3.980 -29.275 -8.994 1.00 42.43 C ATOM 1561 O LYS A 110 -4.273 -29.924 -7.990 1.00 60.33 O ATOM 1562 CB LYS A 110 -2.319 -27.562 -8.242 1.00 52.33 C ATOM 1563 CG LYS A 110 -1.220 -27.821 -7.226 1.00 53.23 C ATOM 1564 CD LYS A 110 -0.363 -26.586 -7.005 1.00 40.11 C ATOM 1565 CE LYS A 110 1.062 -26.957 -6.624 1.00 32.52 C ATOM 1566 NZ LYS A 110 1.144 -27.488 -5.235 1.00 11.33 N ATOM 0 H LYS A 110 -2.488 -27.325 -10.739 1.00 63.33 H new ATOM 0 HA LYS A 110 -1.858 -29.534 -8.964 1.00 50.22 H new ATOM 0 HB2 LYS A 110 -2.060 -26.681 -8.828 1.00 52.33 H new ATOM 0 HB3 LYS A 110 -3.244 -27.332 -7.713 1.00 52.33 H new ATOM 0 HG2 LYS A 110 -1.664 -28.131 -6.280 1.00 53.23 H new ATOM 0 HG3 LYS A 110 -0.593 -28.644 -7.569 1.00 53.23 H new ATOM 0 HD2 LYS A 110 -0.353 -25.982 -7.912 1.00 40.11 H new ATOM 0 HD3 LYS A 110 -0.803 -25.973 -6.219 1.00 40.11 H new ATOM 0 HE2 LYS A 110 1.442 -27.704 -7.321 1.00 32.52 H new ATOM 0 HE3 LYS A 110 1.703 -26.080 -6.716 1.00 32.52 H new ATOM 0 HZ1 LYS A 110 2.131 -27.729 -5.013 1.00 11.33 H new ATOM 0 HZ2 LYS A 110 0.805 -26.766 -4.567 1.00 11.33 H new ATOM 0 HZ3 LYS A 110 0.553 -28.340 -5.153 1.00 11.33 H new