USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 784 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 Single : A 12 THR OG1 : rot -28:sc= 0.157 USER MOD Single : A 14 HIS : no HD1:sc= -0.338 X(o=-0.34,f=-0.037) USER MOD Single : A 15 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.79) USER MOD Single : A 16 THR OG1 : rot 180:sc=-0.00993 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -163:sc=-0.00421 (180deg=-0.165) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.237 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 98:sc= 1.26 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -156:sc= -0.0154 (180deg=-0.248) USER MOD Single : A 38 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.0041) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0646 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0408) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.36 K(o=-0.36,f=-2!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.00637 USER MOD Single : A 79 GLN : amide:sc= -0.0229 X(o=-0.023,f=0) 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= -0.0645 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 92:sc= 0.065 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.0607 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 1 N THR A 12 0.567 0.583 0.038 1.00 60.51 N ATOM 2 CA THR A 12 1.415 0.435 -1.138 1.00 52.33 C ATOM 3 C THR A 12 0.639 -0.167 -2.304 1.00 34.44 C ATOM 4 O THR A 12 -0.071 -1.160 -2.142 1.00 21.52 O ATOM 5 CB THR A 12 2.640 -0.449 -0.840 1.00 63.14 C ATOM 6 OG1 THR A 12 2.222 -1.681 -0.242 1.00 13.21 O ATOM 7 CG2 THR A 12 3.612 0.266 0.086 1.00 14.43 C ATOM 0 HA THR A 12 1.755 1.434 -1.409 1.00 52.33 H new ATOM 0 HB THR A 12 3.147 -0.657 -1.782 1.00 63.14 H new ATOM 0 HG1 THR A 12 1.387 -1.539 0.251 1.00 13.21 H new ATOM 0 HG21 THR A 12 4.469 -0.379 0.282 1.00 14.43 H new ATOM 0 HG22 THR A 12 3.952 1.188 -0.385 1.00 14.43 H new ATOM 0 HG23 THR A 12 3.113 0.501 1.026 1.00 14.43 H new ATOM 15 N ASP A 13 0.778 0.438 -3.478 1.00 2.34 N ATOM 16 CA ASP A 13 0.091 -0.040 -4.671 1.00 70.34 C ATOM 17 C ASP A 13 1.035 -0.063 -5.869 1.00 61.35 C ATOM 18 O ASP A 13 1.803 0.875 -6.087 1.00 34.05 O ATOM 19 CB ASP A 13 -1.120 0.843 -4.977 1.00 62.24 C ATOM 20 CG ASP A 13 -1.845 1.286 -3.722 1.00 74.40 C ATOM 21 OD1 ASP A 13 -2.656 0.495 -3.195 1.00 12.21 O ATOM 22 OD2 ASP A 13 -1.602 2.422 -3.266 1.00 43.22 O ATOM 0 H ASP A 13 1.361 1.261 -3.629 1.00 2.34 H new ATOM 0 HA ASP A 13 -0.250 -1.057 -4.480 1.00 70.34 H new ATOM 0 HB2 ASP A 13 -0.794 1.721 -5.534 1.00 62.24 H new ATOM 0 HB3 ASP A 13 -1.811 0.297 -5.619 1.00 62.24 H new ATOM 27 N HIS A 14 0.974 -1.142 -6.644 1.00 51.21 N ATOM 28 CA HIS A 14 1.824 -1.287 -7.820 1.00 70.44 C ATOM 29 C HIS A 14 0.983 -1.513 -9.074 1.00 4.14 C ATOM 30 O HIS A 14 0.069 -2.337 -9.078 1.00 44.13 O ATOM 31 CB HIS A 14 2.799 -2.450 -7.630 1.00 41.43 C ATOM 32 CG HIS A 14 2.124 -3.770 -7.418 1.00 52.51 C ATOM 33 ND1 HIS A 14 2.141 -4.783 -8.353 1.00 42.23 N ATOM 34 CD2 HIS A 14 1.410 -4.240 -6.369 1.00 20.22 C ATOM 35 CE1 HIS A 14 1.466 -5.819 -7.889 1.00 52.11 C ATOM 36 NE2 HIS A 14 1.012 -5.516 -6.686 1.00 42.42 N ATOM 0 H HIS A 14 0.345 -1.928 -6.478 1.00 51.21 H new ATOM 0 HA HIS A 14 2.390 -0.364 -7.945 1.00 70.44 H new ATOM 0 HB2 HIS A 14 3.445 -2.518 -8.505 1.00 41.43 H new ATOM 0 HB3 HIS A 14 3.442 -2.239 -6.775 1.00 41.43 H new ATOM 0 HD2 HIS A 14 1.193 -3.710 -5.453 1.00 20.22 H new ATOM 0 HE1 HIS A 14 1.311 -6.755 -8.405 1.00 52.11 H new ATOM 0 HE2 HIS A 14 0.457 -6.129 -6.090 1.00 42.42 H new ATOM 44 N GLN A 15 1.299 -0.775 -10.133 1.00 2.22 N ATOM 45 CA GLN A 15 0.571 -0.894 -11.391 1.00 25.03 C ATOM 46 C GLN A 15 1.512 -1.273 -12.530 1.00 31.31 C ATOM 47 O GLN A 15 2.585 -0.690 -12.684 1.00 44.21 O ATOM 48 CB GLN A 15 -0.142 0.419 -11.718 1.00 43.01 C ATOM 49 CG GLN A 15 0.796 1.611 -11.823 1.00 31.10 C ATOM 50 CD GLN A 15 0.351 2.781 -10.968 1.00 34.11 C ATOM 51 OE1 GLN A 15 -0.842 2.971 -10.729 1.00 12.25 O ATOM 52 NE2 GLN A 15 1.309 3.573 -10.502 1.00 24.42 N ATOM 0 H GLN A 15 2.054 -0.089 -10.145 1.00 2.22 H new ATOM 0 HA GLN A 15 -0.172 -1.684 -11.279 1.00 25.03 H new ATOM 0 HB2 GLN A 15 -0.680 0.306 -12.660 1.00 43.01 H new ATOM 0 HB3 GLN A 15 -0.887 0.620 -10.948 1.00 43.01 H new ATOM 0 HG2 GLN A 15 1.799 1.307 -11.522 1.00 31.10 H new ATOM 0 HG3 GLN A 15 0.858 1.929 -12.864 1.00 31.10 H new ATOM 0 HE21 GLN A 15 2.285 3.378 -10.725 1.00 24.42 H new ATOM 0 HE22 GLN A 15 1.069 4.376 -9.921 1.00 24.42 H new ATOM 61 N THR A 16 1.102 -2.255 -13.327 1.00 24.41 N ATOM 62 CA THR A 16 1.909 -2.714 -14.451 1.00 54.01 C ATOM 63 C THR A 16 1.028 -3.194 -15.599 1.00 64.22 C ATOM 64 O THR A 16 0.092 -3.967 -15.396 1.00 22.43 O ATOM 65 CB THR A 16 2.857 -3.854 -14.034 1.00 73.24 C ATOM 66 OG1 THR A 16 3.648 -3.448 -12.912 1.00 34.22 O ATOM 67 CG2 THR A 16 3.768 -4.249 -15.187 1.00 12.21 C ATOM 0 H THR A 16 0.216 -2.748 -13.215 1.00 24.41 H new ATOM 0 HA THR A 16 2.503 -1.862 -14.783 1.00 54.01 H new ATOM 0 HB THR A 16 2.252 -4.717 -13.758 1.00 73.24 H new ATOM 0 HG1 THR A 16 4.247 -4.179 -12.652 1.00 34.22 H new ATOM 0 HG21 THR A 16 4.429 -5.056 -14.869 1.00 12.21 H new ATOM 0 HG22 THR A 16 3.164 -4.586 -16.029 1.00 12.21 H new ATOM 0 HG23 THR A 16 4.365 -3.389 -15.490 1.00 12.21 H new ATOM 75 N VAL A 17 1.335 -2.732 -16.807 1.00 52.22 N ATOM 76 CA VAL A 17 0.572 -3.116 -17.989 1.00 42.00 C ATOM 77 C VAL A 17 1.410 -3.976 -18.928 1.00 44.34 C ATOM 78 O VAL A 17 2.629 -3.820 -19.008 1.00 21.12 O ATOM 79 CB VAL A 17 0.066 -1.880 -18.756 1.00 73.34 C ATOM 80 CG1 VAL A 17 -0.871 -2.296 -19.880 1.00 71.32 C ATOM 81 CG2 VAL A 17 -0.623 -0.910 -17.808 1.00 72.34 C ATOM 0 H VAL A 17 2.107 -2.091 -16.993 1.00 52.22 H new ATOM 0 HA VAL A 17 -0.284 -3.693 -17.640 1.00 42.00 H new ATOM 0 HB VAL A 17 0.923 -1.372 -19.199 1.00 73.34 H new ATOM 0 HG11 VAL A 17 -1.218 -1.410 -20.411 1.00 71.32 H new ATOM 0 HG12 VAL A 17 -0.341 -2.949 -20.573 1.00 71.32 H new ATOM 0 HG13 VAL A 17 -1.726 -2.828 -19.463 1.00 71.32 H new ATOM 0 HG21 VAL A 17 -0.974 -0.043 -18.367 1.00 72.34 H new ATOM 0 HG22 VAL A 17 -1.471 -1.404 -17.335 1.00 72.34 H new ATOM 0 HG23 VAL A 17 0.082 -0.587 -17.042 1.00 72.34 H new ATOM 91 N TYR A 18 0.749 -4.883 -19.639 1.00 4.31 N ATOM 92 CA TYR A 18 1.434 -5.769 -20.572 1.00 73.44 C ATOM 93 C TYR A 18 1.053 -5.442 -22.013 1.00 71.41 C ATOM 94 O TYR A 18 -0.128 -5.350 -22.350 1.00 65.42 O ATOM 95 CB TYR A 18 1.096 -7.229 -20.263 1.00 3.12 C ATOM 96 CG TYR A 18 1.252 -7.590 -18.803 1.00 12.43 C ATOM 97 CD1 TYR A 18 2.459 -8.072 -18.311 1.00 13.42 C ATOM 98 CD2 TYR A 18 0.192 -7.450 -17.915 1.00 51.33 C ATOM 99 CE1 TYR A 18 2.605 -8.403 -16.978 1.00 23.23 C ATOM 100 CE2 TYR A 18 0.330 -7.777 -16.580 1.00 71.35 C ATOM 101 CZ TYR A 18 1.538 -8.254 -16.117 1.00 3.25 C ATOM 102 OH TYR A 18 1.679 -8.583 -14.788 1.00 4.32 O ATOM 0 H TYR A 18 -0.260 -5.024 -19.587 1.00 4.31 H new ATOM 0 HA TYR A 18 2.507 -5.618 -20.455 1.00 73.44 H new ATOM 0 HB2 TYR A 18 0.069 -7.429 -20.570 1.00 3.12 H new ATOM 0 HB3 TYR A 18 1.739 -7.876 -20.860 1.00 3.12 H new ATOM 0 HD1 TYR A 18 3.297 -8.190 -18.982 1.00 13.42 H new ATOM 0 HD2 TYR A 18 -0.756 -7.079 -18.275 1.00 51.33 H new ATOM 0 HE1 TYR A 18 3.550 -8.777 -16.612 1.00 23.23 H new ATOM 0 HE2 TYR A 18 -0.503 -7.660 -15.903 1.00 71.35 H new ATOM 0 HH TYR A 18 0.835 -8.418 -14.319 1.00 4.32 H new ATOM 112 N VAL A 19 2.063 -5.268 -22.860 1.00 75.22 N ATOM 113 CA VAL A 19 1.836 -4.953 -24.266 1.00 33.14 C ATOM 114 C VAL A 19 2.602 -5.908 -25.174 1.00 23.25 C ATOM 115 O VAL A 19 3.679 -6.389 -24.820 1.00 30.31 O ATOM 116 CB VAL A 19 2.253 -3.507 -24.591 1.00 1.30 C ATOM 117 CG1 VAL A 19 1.857 -3.144 -26.014 1.00 40.30 C ATOM 118 CG2 VAL A 19 1.637 -2.538 -23.594 1.00 14.54 C ATOM 0 H VAL A 19 3.046 -5.340 -22.597 1.00 75.22 H new ATOM 0 HA VAL A 19 0.767 -5.064 -24.447 1.00 33.14 H new ATOM 0 HB VAL A 19 3.338 -3.434 -24.511 1.00 1.30 H new ATOM 0 HG11 VAL A 19 2.160 -2.118 -26.226 1.00 40.30 H new ATOM 0 HG12 VAL A 19 2.351 -3.820 -26.713 1.00 40.30 H new ATOM 0 HG13 VAL A 19 0.776 -3.233 -26.125 1.00 40.30 H new ATOM 0 HG21 VAL A 19 1.942 -1.521 -23.839 1.00 14.54 H new ATOM 0 HG22 VAL A 19 0.550 -2.611 -23.639 1.00 14.54 H new ATOM 0 HG23 VAL A 19 1.976 -2.786 -22.588 1.00 14.54 H new ATOM 128 N LYS A 20 2.041 -6.179 -26.347 1.00 12.11 N ATOM 129 CA LYS A 20 2.671 -7.075 -27.309 1.00 21.33 C ATOM 130 C LYS A 20 4.118 -6.667 -27.566 1.00 1.21 C ATOM 131 O LYS A 20 4.509 -5.517 -27.364 1.00 51.12 O ATOM 132 CB LYS A 20 1.889 -7.077 -28.624 1.00 40.01 C ATOM 133 CG LYS A 20 1.482 -5.690 -29.092 1.00 23.24 C ATOM 134 CD LYS A 20 1.253 -5.653 -30.593 1.00 74.12 C ATOM 135 CE LYS A 20 2.543 -5.370 -31.348 1.00 34.14 C ATOM 136 NZ LYS A 20 2.980 -3.955 -31.188 1.00 75.40 N ATOM 0 H LYS A 20 1.150 -5.790 -26.655 1.00 12.11 H new ATOM 0 HA LYS A 20 2.665 -8.081 -26.889 1.00 21.33 H new ATOM 0 HB2 LYS A 20 2.496 -7.549 -29.397 1.00 40.01 H new ATOM 0 HB3 LYS A 20 0.994 -7.688 -28.504 1.00 40.01 H new ATOM 0 HG2 LYS A 20 0.572 -5.384 -28.577 1.00 23.24 H new ATOM 0 HG3 LYS A 20 2.257 -4.972 -28.824 1.00 23.24 H new ATOM 0 HD2 LYS A 20 0.839 -6.606 -30.922 1.00 74.12 H new ATOM 0 HD3 LYS A 20 0.516 -4.886 -30.831 1.00 74.12 H new ATOM 0 HE2 LYS A 20 3.328 -6.035 -30.988 1.00 34.14 H new ATOM 0 HE3 LYS A 20 2.400 -5.589 -32.406 1.00 34.14 H new ATOM 0 HZ1 LYS A 20 3.676 -3.721 -31.924 1.00 75.40 H new ATOM 0 HZ2 LYS A 20 2.157 -3.325 -31.277 1.00 75.40 H new ATOM 0 HZ3 LYS A 20 3.412 -3.829 -30.250 1.00 75.40 H new ATOM 150 N PRO A 21 4.933 -7.629 -28.023 1.00 42.12 N ATOM 151 CA PRO A 21 6.349 -7.392 -28.320 1.00 21.02 C ATOM 152 C PRO A 21 6.544 -6.507 -29.546 1.00 63.45 C ATOM 153 O PRO A 21 5.611 -6.284 -30.318 1.00 2.53 O ATOM 154 CB PRO A 21 6.897 -8.797 -28.581 1.00 73.33 C ATOM 155 CG PRO A 21 5.715 -9.587 -29.028 1.00 21.33 C ATOM 156 CD PRO A 21 4.535 -9.022 -28.287 1.00 1.04 C ATOM 0 HA PRO A 21 6.853 -6.867 -27.509 1.00 21.02 H new ATOM 0 HB2 PRO A 21 7.675 -8.783 -29.344 1.00 73.33 H new ATOM 0 HB3 PRO A 21 7.340 -9.223 -27.681 1.00 73.33 H new ATOM 0 HG2 PRO A 21 5.575 -9.504 -30.106 1.00 21.33 H new ATOM 0 HG3 PRO A 21 5.846 -10.646 -28.804 1.00 21.33 H new ATOM 0 HD2 PRO A 21 3.624 -9.073 -28.883 1.00 1.04 H new ATOM 0 HD3 PRO A 21 4.342 -9.567 -27.363 1.00 1.04 H new ATOM 164 N VAL A 22 7.763 -6.007 -29.722 1.00 2.14 N ATOM 165 CA VAL A 22 8.081 -5.148 -30.856 1.00 2.22 C ATOM 166 C VAL A 22 8.972 -5.870 -31.860 1.00 24.52 C ATOM 167 O VAL A 22 9.695 -6.809 -31.523 1.00 74.14 O ATOM 168 CB VAL A 22 8.783 -3.854 -30.401 1.00 21.41 C ATOM 169 CG1 VAL A 22 7.783 -2.898 -29.769 1.00 42.02 C ATOM 170 CG2 VAL A 22 9.913 -4.174 -29.433 1.00 54.32 C ATOM 0 H VAL A 22 8.547 -6.182 -29.093 1.00 2.14 H new ATOM 0 HA VAL A 22 7.135 -4.891 -31.333 1.00 2.22 H new ATOM 0 HB VAL A 22 9.212 -3.366 -31.276 1.00 21.41 H new ATOM 0 HG11 VAL A 22 8.297 -1.990 -29.454 1.00 42.02 H new ATOM 0 HG12 VAL A 22 7.012 -2.645 -30.497 1.00 42.02 H new ATOM 0 HG13 VAL A 22 7.322 -3.373 -28.903 1.00 42.02 H new ATOM 0 HG21 VAL A 22 10.398 -3.249 -29.122 1.00 54.32 H new ATOM 0 HG22 VAL A 22 9.509 -4.684 -28.558 1.00 54.32 H new ATOM 0 HG23 VAL A 22 10.642 -4.818 -29.925 1.00 54.32 H new ATOM 180 N PRO A 23 8.923 -5.424 -33.124 1.00 34.23 N ATOM 181 CA PRO A 23 9.720 -6.014 -34.203 1.00 41.53 C ATOM 182 C PRO A 23 11.208 -5.716 -34.053 1.00 62.43 C ATOM 183 O PRO A 23 11.621 -4.877 -33.253 1.00 15.22 O ATOM 184 CB PRO A 23 9.165 -5.342 -35.462 1.00 12.03 C ATOM 185 CG PRO A 23 8.602 -4.048 -34.984 1.00 34.34 C ATOM 186 CD PRO A 23 8.084 -4.309 -33.596 1.00 63.50 C ATOM 0 HA PRO A 23 9.647 -7.101 -34.216 1.00 41.53 H new ATOM 0 HB2 PRO A 23 9.948 -5.183 -36.204 1.00 12.03 H new ATOM 0 HB3 PRO A 23 8.399 -5.957 -35.934 1.00 12.03 H new ATOM 0 HG2 PRO A 23 9.365 -3.270 -34.976 1.00 34.34 H new ATOM 0 HG3 PRO A 23 7.803 -3.704 -35.640 1.00 34.34 H new ATOM 0 HD2 PRO A 23 8.185 -3.431 -32.957 1.00 63.50 H new ATOM 0 HD3 PRO A 23 7.027 -4.577 -33.605 1.00 63.50 H new ATOM 194 N PRO A 24 12.035 -6.420 -34.841 1.00 42.52 N ATOM 195 CA PRO A 24 13.491 -6.247 -34.815 1.00 33.22 C ATOM 196 C PRO A 24 13.926 -4.904 -35.391 1.00 31.04 C ATOM 197 O PRO A 24 15.037 -4.437 -35.135 1.00 72.45 O ATOM 198 CB PRO A 24 14.000 -7.395 -35.691 1.00 13.33 C ATOM 199 CG PRO A 24 12.866 -7.704 -36.606 1.00 72.12 C ATOM 200 CD PRO A 24 11.613 -7.437 -35.819 1.00 0.42 C ATOM 0 HA PRO A 24 13.885 -6.261 -33.799 1.00 33.22 H new ATOM 0 HB2 PRO A 24 14.890 -7.103 -36.248 1.00 13.33 H new ATOM 0 HB3 PRO A 24 14.271 -8.262 -35.089 1.00 13.33 H new ATOM 0 HG2 PRO A 24 12.905 -7.081 -37.500 1.00 72.12 H new ATOM 0 HG3 PRO A 24 12.904 -8.741 -36.938 1.00 72.12 H new ATOM 0 HD2 PRO A 24 10.808 -7.072 -36.457 1.00 0.42 H new ATOM 0 HD3 PRO A 24 11.247 -8.339 -35.328 1.00 0.42 H new ATOM 208 N THR A 25 13.044 -4.285 -36.169 1.00 74.00 N ATOM 209 CA THR A 25 13.337 -2.996 -36.782 1.00 0.44 C ATOM 210 C THR A 25 13.032 -1.850 -35.824 1.00 12.42 C ATOM 211 O THR A 25 13.734 -0.840 -35.806 1.00 5.44 O ATOM 212 CB THR A 25 12.531 -2.794 -38.079 1.00 5.31 C ATOM 213 OG1 THR A 25 12.262 -4.060 -38.691 1.00 24.14 O ATOM 214 CG2 THR A 25 13.289 -1.905 -39.054 1.00 2.24 C ATOM 0 H THR A 25 12.120 -4.656 -36.390 1.00 74.00 H new ATOM 0 HA THR A 25 14.401 -2.994 -37.020 1.00 0.44 H new ATOM 0 HB THR A 25 11.590 -2.307 -37.824 1.00 5.31 H new ATOM 0 HG1 THR A 25 11.748 -3.923 -39.514 1.00 24.14 H new ATOM 0 HG21 THR A 25 12.700 -1.777 -39.962 1.00 2.24 H new ATOM 0 HG22 THR A 25 13.467 -0.932 -38.596 1.00 2.24 H new ATOM 0 HG23 THR A 25 14.243 -2.369 -39.303 1.00 2.24 H new ATOM 222 N ALA A 26 11.980 -2.014 -35.028 1.00 53.45 N ATOM 223 CA ALA A 26 11.583 -0.993 -34.066 1.00 25.52 C ATOM 224 C ALA A 26 12.722 -0.676 -33.103 1.00 2.34 C ATOM 225 O ALA A 26 13.119 -1.516 -32.294 1.00 41.04 O ATOM 226 CB ALA A 26 10.350 -1.444 -33.297 1.00 52.34 C ATOM 0 H ALA A 26 11.387 -2.844 -35.030 1.00 53.45 H new ATOM 0 HA ALA A 26 11.342 -0.083 -34.616 1.00 25.52 H new ATOM 0 HB1 ALA A 26 10.065 -0.672 -32.582 1.00 52.34 H new ATOM 0 HB2 ALA A 26 9.529 -1.615 -33.993 1.00 52.34 H new ATOM 0 HB3 ALA A 26 10.572 -2.368 -32.764 1.00 52.34 H new ATOM 232 N THR A 27 13.246 0.543 -33.194 1.00 32.13 N ATOM 233 CA THR A 27 14.340 0.971 -32.332 1.00 23.11 C ATOM 234 C THR A 27 13.815 1.607 -31.050 1.00 75.12 C ATOM 235 O THR A 27 12.614 1.842 -30.909 1.00 34.22 O ATOM 236 CB THR A 27 15.261 1.976 -33.050 1.00 32.20 C ATOM 237 OG1 THR A 27 14.555 3.196 -33.298 1.00 54.51 O ATOM 238 CG2 THR A 27 15.768 1.401 -34.364 1.00 42.51 C ATOM 0 H THR A 27 12.930 1.251 -33.857 1.00 32.13 H new ATOM 0 HA THR A 27 14.913 0.078 -32.083 1.00 23.11 H new ATOM 0 HB THR A 27 16.117 2.177 -32.405 1.00 32.20 H new ATOM 0 HG1 THR A 27 15.148 3.830 -33.753 1.00 54.51 H new ATOM 0 HG21 THR A 27 16.416 2.128 -34.853 1.00 42.51 H new ATOM 0 HG22 THR A 27 16.330 0.488 -34.169 1.00 42.51 H new ATOM 0 HG23 THR A 27 14.922 1.175 -35.013 1.00 42.51 H new ATOM 246 N LEU A 28 14.720 1.884 -30.118 1.00 51.45 N ATOM 247 CA LEU A 28 14.347 2.495 -28.847 1.00 70.21 C ATOM 248 C LEU A 28 13.926 3.948 -29.043 1.00 71.34 C ATOM 249 O LEU A 28 12.950 4.406 -28.451 1.00 74.20 O ATOM 250 CB LEU A 28 15.514 2.419 -27.861 1.00 33.12 C ATOM 251 CG LEU A 28 15.182 1.880 -26.469 1.00 12.43 C ATOM 252 CD1 LEU A 28 16.280 0.948 -25.981 1.00 1.40 C ATOM 253 CD2 LEU A 28 14.978 3.026 -25.488 1.00 53.23 C ATOM 0 H LEU A 28 15.717 1.695 -30.218 1.00 51.45 H new ATOM 0 HA LEU A 28 13.499 1.943 -28.442 1.00 70.21 H new ATOM 0 HB2 LEU A 28 16.291 1.791 -28.296 1.00 33.12 H new ATOM 0 HB3 LEU A 28 15.936 3.418 -27.751 1.00 33.12 H new ATOM 0 HG LEU A 28 14.254 1.312 -26.532 1.00 12.43 H new ATOM 0 HD11 LEU A 28 16.026 0.575 -24.989 1.00 1.40 H new ATOM 0 HD12 LEU A 28 16.378 0.109 -26.670 1.00 1.40 H new ATOM 0 HD13 LEU A 28 17.224 1.491 -25.933 1.00 1.40 H new ATOM 0 HD21 LEU A 28 14.743 2.624 -24.503 1.00 53.23 H new ATOM 0 HD22 LEU A 28 15.889 3.621 -25.429 1.00 53.23 H new ATOM 0 HD23 LEU A 28 14.156 3.655 -25.829 1.00 53.23 H new ATOM 265 N GLU A 29 14.668 4.666 -29.880 1.00 63.24 N ATOM 266 CA GLU A 29 14.370 6.066 -30.155 1.00 41.43 C ATOM 267 C GLU A 29 13.040 6.205 -30.890 1.00 51.41 C ATOM 268 O GLU A 29 12.250 7.103 -30.599 1.00 31.12 O ATOM 269 CB GLU A 29 15.491 6.696 -30.984 1.00 44.33 C ATOM 270 CG GLU A 29 15.313 8.187 -31.217 1.00 15.22 C ATOM 271 CD GLU A 29 16.442 8.791 -32.029 1.00 20.41 C ATOM 272 OE1 GLU A 29 17.540 8.197 -32.049 1.00 64.52 O ATOM 273 OE2 GLU A 29 16.228 9.856 -32.644 1.00 1.24 O ATOM 0 H GLU A 29 15.479 4.301 -30.379 1.00 63.24 H new ATOM 0 HA GLU A 29 14.295 6.589 -29.201 1.00 41.43 H new ATOM 0 HB2 GLU A 29 16.443 6.527 -30.480 1.00 44.33 H new ATOM 0 HB3 GLU A 29 15.546 6.190 -31.948 1.00 44.33 H new ATOM 0 HG2 GLU A 29 14.368 8.360 -31.732 1.00 15.22 H new ATOM 0 HG3 GLU A 29 15.250 8.696 -30.255 1.00 15.22 H new ATOM 280 N GLN A 30 12.801 5.311 -31.844 1.00 21.03 N ATOM 281 CA GLN A 30 11.568 5.335 -32.621 1.00 73.30 C ATOM 282 C GLN A 30 10.361 5.034 -31.737 1.00 45.14 C ATOM 283 O GLN A 30 9.365 5.758 -31.761 1.00 42.12 O ATOM 284 CB GLN A 30 11.642 4.322 -33.765 1.00 55.12 C ATOM 285 CG GLN A 30 10.416 4.330 -34.665 1.00 1.13 C ATOM 286 CD GLN A 30 10.759 4.080 -36.120 1.00 52.42 C ATOM 287 OE1 GLN A 30 10.444 3.026 -36.672 1.00 20.41 O ATOM 288 NE2 GLN A 30 11.407 5.052 -36.751 1.00 45.30 N ATOM 0 H GLN A 30 13.445 4.561 -32.097 1.00 21.03 H new ATOM 0 HA GLN A 30 11.450 6.335 -33.037 1.00 73.30 H new ATOM 0 HB2 GLN A 30 12.526 4.531 -34.367 1.00 55.12 H new ATOM 0 HB3 GLN A 30 11.769 3.323 -33.347 1.00 55.12 H new ATOM 0 HG2 GLN A 30 9.715 3.568 -34.325 1.00 1.13 H new ATOM 0 HG3 GLN A 30 9.910 5.291 -34.575 1.00 1.13 H new ATOM 0 HE21 GLN A 30 11.649 5.910 -36.255 1.00 45.30 H new ATOM 0 HE22 GLN A 30 11.663 4.941 -37.732 1.00 45.30 H new ATOM 297 N LEU A 31 10.457 3.962 -30.959 1.00 5.23 N ATOM 298 CA LEU A 31 9.374 3.565 -30.067 1.00 14.04 C ATOM 299 C LEU A 31 9.036 4.685 -29.088 1.00 21.14 C ATOM 300 O LEU A 31 7.886 5.114 -28.990 1.00 40.43 O ATOM 301 CB LEU A 31 9.757 2.299 -29.298 1.00 71.15 C ATOM 302 CG LEU A 31 8.959 1.040 -29.640 1.00 25.44 C ATOM 303 CD1 LEU A 31 9.651 -0.196 -29.086 1.00 21.51 C ATOM 304 CD2 LEU A 31 7.540 1.145 -29.101 1.00 41.02 C ATOM 0 H LEU A 31 11.274 3.352 -30.928 1.00 5.23 H new ATOM 0 HA LEU A 31 8.493 3.361 -30.675 1.00 14.04 H new ATOM 0 HB2 LEU A 31 10.813 2.095 -29.476 1.00 71.15 H new ATOM 0 HB3 LEU A 31 9.646 2.497 -28.232 1.00 71.15 H new ATOM 0 HG LEU A 31 8.908 0.948 -30.725 1.00 25.44 H new ATOM 0 HD11 LEU A 31 9.069 -1.083 -29.339 1.00 21.51 H new ATOM 0 HD12 LEU A 31 10.648 -0.280 -29.519 1.00 21.51 H new ATOM 0 HD13 LEU A 31 9.733 -0.112 -28.002 1.00 21.51 H new ATOM 0 HD21 LEU A 31 6.987 0.240 -29.354 1.00 41.02 H new ATOM 0 HD22 LEU A 31 7.570 1.261 -28.018 1.00 41.02 H new ATOM 0 HD23 LEU A 31 7.045 2.009 -29.545 1.00 41.02 H new ATOM 316 N THR A 32 10.047 5.156 -28.364 1.00 41.41 N ATOM 317 CA THR A 32 9.858 6.227 -27.394 1.00 4.05 C ATOM 318 C THR A 32 9.224 7.452 -28.042 1.00 44.05 C ATOM 319 O THR A 32 8.267 8.018 -27.517 1.00 35.23 O ATOM 320 CB THR A 32 11.193 6.638 -26.743 1.00 60.53 C ATOM 321 OG1 THR A 32 11.893 5.475 -26.286 1.00 43.12 O ATOM 322 CG2 THR A 32 10.958 7.585 -25.577 1.00 12.41 C ATOM 0 H THR A 32 11.005 4.812 -28.431 1.00 41.41 H new ATOM 0 HA THR A 32 9.190 5.841 -26.624 1.00 4.05 H new ATOM 0 HB THR A 32 11.794 7.153 -27.493 1.00 60.53 H new ATOM 0 HG1 THR A 32 12.568 5.219 -26.948 1.00 43.12 H new ATOM 0 HG21 THR A 32 11.915 7.861 -25.134 1.00 12.41 H new ATOM 0 HG22 THR A 32 10.451 8.482 -25.933 1.00 12.41 H new ATOM 0 HG23 THR A 32 10.339 7.092 -24.827 1.00 12.41 H new ATOM 330 N GLU A 33 9.765 7.856 -29.188 1.00 31.30 N ATOM 331 CA GLU A 33 9.251 9.015 -29.908 1.00 35.20 C ATOM 332 C GLU A 33 7.752 8.878 -30.159 1.00 73.25 C ATOM 333 O GLU A 33 6.971 9.772 -29.831 1.00 24.20 O ATOM 334 CB GLU A 33 9.988 9.186 -31.237 1.00 64.25 C ATOM 335 CG GLU A 33 9.735 10.526 -31.906 1.00 53.43 C ATOM 336 CD GLU A 33 10.686 10.794 -33.057 1.00 31.35 C ATOM 337 OE1 GLU A 33 10.209 11.195 -34.139 1.00 0.22 O ATOM 338 OE2 GLU A 33 11.906 10.601 -32.875 1.00 3.50 O ATOM 0 H GLU A 33 10.558 7.398 -29.637 1.00 31.30 H new ATOM 0 HA GLU A 33 9.420 9.898 -29.291 1.00 35.20 H new ATOM 0 HB2 GLU A 33 11.058 9.071 -31.066 1.00 64.25 H new ATOM 0 HB3 GLU A 33 9.686 8.388 -31.915 1.00 64.25 H new ATOM 0 HG2 GLU A 33 8.709 10.556 -32.273 1.00 53.43 H new ATOM 0 HG3 GLU A 33 9.833 11.321 -31.167 1.00 53.43 H new ATOM 345 N PHE A 34 7.356 7.752 -30.745 1.00 44.21 N ATOM 346 CA PHE A 34 5.952 7.498 -31.043 1.00 33.33 C ATOM 347 C PHE A 34 5.104 7.582 -29.777 1.00 34.10 C ATOM 348 O PHE A 34 4.036 8.195 -29.771 1.00 40.12 O ATOM 349 CB PHE A 34 5.787 6.121 -31.690 1.00 11.11 C ATOM 350 CG PHE A 34 5.683 6.171 -33.187 1.00 53.45 C ATOM 351 CD1 PHE A 34 6.820 6.276 -33.971 1.00 64.02 C ATOM 352 CD2 PHE A 34 4.447 6.115 -33.811 1.00 72.43 C ATOM 353 CE1 PHE A 34 6.728 6.322 -35.350 1.00 1.14 C ATOM 354 CE2 PHE A 34 4.348 6.160 -35.189 1.00 63.22 C ATOM 355 CZ PHE A 34 5.490 6.265 -35.959 1.00 62.02 C ATOM 0 H PHE A 34 7.988 7.001 -31.023 1.00 44.21 H new ATOM 0 HA PHE A 34 5.610 8.263 -31.740 1.00 33.33 H new ATOM 0 HB2 PHE A 34 6.635 5.494 -31.413 1.00 11.11 H new ATOM 0 HB3 PHE A 34 4.893 5.644 -31.287 1.00 11.11 H new ATOM 0 HD1 PHE A 34 7.790 6.323 -33.499 1.00 64.02 H new ATOM 0 HD2 PHE A 34 3.551 6.035 -33.214 1.00 72.43 H new ATOM 0 HE1 PHE A 34 7.623 6.402 -35.950 1.00 1.14 H new ATOM 0 HE2 PHE A 34 3.379 6.113 -35.663 1.00 63.22 H new ATOM 0 HZ PHE A 34 5.415 6.302 -37.036 1.00 62.02 H new ATOM 365 N PHE A 35 5.587 6.961 -28.706 1.00 74.20 N ATOM 366 CA PHE A 35 4.873 6.963 -27.434 1.00 42.42 C ATOM 367 C PHE A 35 4.554 8.389 -26.993 1.00 35.32 C ATOM 368 O PHE A 35 3.403 8.716 -26.701 1.00 5.41 O ATOM 369 CB PHE A 35 5.702 6.258 -26.359 1.00 2.33 C ATOM 370 CG PHE A 35 5.142 4.927 -25.947 1.00 61.10 C ATOM 371 CD1 PHE A 35 3.949 4.849 -25.248 1.00 34.24 C ATOM 372 CD2 PHE A 35 5.809 3.753 -26.259 1.00 45.30 C ATOM 373 CE1 PHE A 35 3.430 3.625 -24.868 1.00 2.14 C ATOM 374 CE2 PHE A 35 5.296 2.527 -25.882 1.00 73.11 C ATOM 375 CZ PHE A 35 4.105 2.463 -25.184 1.00 63.24 C ATOM 0 H PHE A 35 6.470 6.450 -28.693 1.00 74.20 H new ATOM 0 HA PHE A 35 3.935 6.425 -27.570 1.00 42.42 H new ATOM 0 HB2 PHE A 35 6.718 6.117 -26.729 1.00 2.33 H new ATOM 0 HB3 PHE A 35 5.769 6.902 -25.482 1.00 2.33 H new ATOM 0 HD1 PHE A 35 3.418 5.755 -24.997 1.00 34.24 H new ATOM 0 HD2 PHE A 35 6.741 3.797 -26.803 1.00 45.30 H new ATOM 0 HE1 PHE A 35 2.498 3.578 -24.325 1.00 2.14 H new ATOM 0 HE2 PHE A 35 5.825 1.619 -26.132 1.00 73.11 H new ATOM 0 HZ PHE A 35 3.703 1.506 -24.886 1.00 63.24 H new ATOM 385 N SER A 36 5.580 9.232 -26.946 1.00 62.32 N ATOM 386 CA SER A 36 5.411 10.621 -26.536 1.00 74.24 C ATOM 387 C SER A 36 4.401 11.332 -27.432 1.00 13.00 C ATOM 388 O SER A 36 3.661 12.207 -26.981 1.00 42.13 O ATOM 389 CB SER A 36 6.752 11.355 -26.579 1.00 24.53 C ATOM 390 OG SER A 36 7.133 11.796 -25.287 1.00 42.02 O ATOM 0 H SER A 36 6.538 8.977 -27.187 1.00 62.32 H new ATOM 0 HA SER A 36 5.034 10.629 -25.513 1.00 74.24 H new ATOM 0 HB2 SER A 36 7.519 10.694 -26.982 1.00 24.53 H new ATOM 0 HB3 SER A 36 6.681 12.209 -27.252 1.00 24.53 H new ATOM 0 HG SER A 36 7.994 12.261 -25.341 1.00 42.02 H new ATOM 396 N LYS A 37 4.376 10.950 -28.704 1.00 74.32 N ATOM 397 CA LYS A 37 3.457 11.548 -29.665 1.00 52.14 C ATOM 398 C LYS A 37 2.007 11.291 -29.265 1.00 44.32 C ATOM 399 O LYS A 37 1.140 12.145 -29.454 1.00 62.11 O ATOM 400 CB LYS A 37 3.717 10.990 -31.066 1.00 72.33 C ATOM 401 CG LYS A 37 3.337 11.947 -32.183 1.00 22.12 C ATOM 402 CD LYS A 37 2.834 11.203 -33.408 1.00 64.25 C ATOM 403 CE LYS A 37 3.637 11.565 -34.649 1.00 12.33 C ATOM 404 NZ LYS A 37 3.561 13.021 -34.952 1.00 43.22 N ATOM 0 H LYS A 37 4.982 10.228 -29.094 1.00 74.32 H new ATOM 0 HA LYS A 37 3.628 12.624 -29.672 1.00 52.14 H new ATOM 0 HB2 LYS A 37 4.774 10.739 -31.158 1.00 72.33 H new ATOM 0 HB3 LYS A 37 3.158 10.062 -31.188 1.00 72.33 H new ATOM 0 HG2 LYS A 37 2.566 12.632 -31.830 1.00 22.12 H new ATOM 0 HG3 LYS A 37 4.202 12.553 -32.454 1.00 22.12 H new ATOM 0 HD2 LYS A 37 2.896 10.129 -33.234 1.00 64.25 H new ATOM 0 HD3 LYS A 37 1.783 11.439 -33.572 1.00 64.25 H new ATOM 0 HE2 LYS A 37 4.678 11.278 -34.505 1.00 12.33 H new ATOM 0 HE3 LYS A 37 3.265 10.997 -35.501 1.00 12.33 H new ATOM 0 HZ1 LYS A 37 3.749 13.175 -35.963 1.00 43.22 H new ATOM 0 HZ2 LYS A 37 2.612 13.375 -34.718 1.00 43.22 H new ATOM 0 HZ3 LYS A 37 4.270 13.531 -34.387 1.00 43.22 H new ATOM 418 N HIS A 38 1.752 10.111 -28.710 1.00 73.33 N ATOM 419 CA HIS A 38 0.407 9.743 -28.281 1.00 70.24 C ATOM 420 C HIS A 38 0.455 8.871 -27.030 1.00 63.34 C ATOM 421 O HIS A 38 0.904 7.726 -27.077 1.00 14.04 O ATOM 422 CB HIS A 38 -0.325 9.006 -29.403 1.00 72.31 C ATOM 423 CG HIS A 38 -1.813 8.979 -29.231 1.00 42.11 C ATOM 424 ND1 HIS A 38 -2.627 8.059 -29.857 1.00 65.15 N ATOM 425 CD2 HIS A 38 -2.633 9.766 -28.496 1.00 72.12 C ATOM 426 CE1 HIS A 38 -3.883 8.282 -29.517 1.00 33.11 C ATOM 427 NE2 HIS A 38 -3.915 9.312 -28.691 1.00 44.20 N ATOM 0 H HIS A 38 2.458 9.393 -28.547 1.00 73.33 H new ATOM 0 HA HIS A 38 -0.135 10.658 -28.044 1.00 70.24 H new ATOM 0 HB2 HIS A 38 -0.086 9.481 -30.355 1.00 72.31 H new ATOM 0 HB3 HIS A 38 0.045 7.982 -29.456 1.00 72.31 H new ATOM 0 HD2 HIS A 38 -2.335 10.596 -27.873 1.00 72.12 H new ATOM 0 HE1 HIS A 38 -4.739 7.718 -29.857 1.00 33.11 H new ATOM 0 HE2 HIS A 38 -4.755 9.706 -28.267 1.00 44.20 H new ATOM 435 N GLY A 39 -0.009 9.421 -25.913 1.00 10.14 N ATOM 436 CA GLY A 39 -0.009 8.680 -24.665 1.00 63.30 C ATOM 437 C GLY A 39 1.165 9.041 -23.776 1.00 71.13 C ATOM 438 O GLY A 39 2.281 9.240 -24.258 1.00 32.12 O ATOM 0 H GLY A 39 -0.385 10.367 -25.849 1.00 10.14 H new ATOM 0 HA2 GLY A 39 -0.939 8.875 -24.131 1.00 63.30 H new ATOM 0 HA3 GLY A 39 0.017 7.612 -24.880 1.00 63.30 H new ATOM 442 N THR A 40 0.914 9.128 -22.474 1.00 21.25 N ATOM 443 CA THR A 40 1.958 9.470 -21.516 1.00 14.35 C ATOM 444 C THR A 40 2.321 8.272 -20.647 1.00 24.33 C ATOM 445 O THR A 40 1.504 7.790 -19.863 1.00 32.43 O ATOM 446 CB THR A 40 1.525 10.636 -20.607 1.00 1.43 C ATOM 447 OG1 THR A 40 0.571 11.460 -21.287 1.00 31.43 O ATOM 448 CG2 THR A 40 2.725 11.476 -20.196 1.00 22.04 C ATOM 0 H THR A 40 -0.003 8.966 -22.058 1.00 21.25 H new ATOM 0 HA THR A 40 2.831 9.773 -22.094 1.00 14.35 H new ATOM 0 HB THR A 40 1.069 10.218 -19.710 1.00 1.43 H new ATOM 0 HG1 THR A 40 0.300 12.198 -20.702 1.00 31.43 H new ATOM 0 HG21 THR A 40 2.395 12.293 -19.555 1.00 22.04 H new ATOM 0 HG22 THR A 40 3.436 10.853 -19.653 1.00 22.04 H new ATOM 0 HG23 THR A 40 3.205 11.884 -21.085 1.00 22.04 H new ATOM 456 N VAL A 41 3.554 7.795 -20.790 1.00 72.34 N ATOM 457 CA VAL A 41 4.027 6.653 -20.017 1.00 34.11 C ATOM 458 C VAL A 41 5.181 7.048 -19.103 1.00 10.31 C ATOM 459 O VAL A 41 5.982 7.920 -19.441 1.00 34.25 O ATOM 460 CB VAL A 41 4.484 5.504 -20.935 1.00 35.42 C ATOM 461 CG1 VAL A 41 3.348 5.064 -21.846 1.00 35.43 C ATOM 462 CG2 VAL A 41 5.698 5.923 -21.749 1.00 4.14 C ATOM 0 H VAL A 41 4.243 8.182 -21.434 1.00 72.34 H new ATOM 0 HA VAL A 41 3.188 6.312 -19.411 1.00 34.11 H new ATOM 0 HB VAL A 41 4.768 4.656 -20.312 1.00 35.42 H new ATOM 0 HG11 VAL A 41 3.690 4.252 -22.487 1.00 35.43 H new ATOM 0 HG12 VAL A 41 2.509 4.720 -21.241 1.00 35.43 H new ATOM 0 HG13 VAL A 41 3.030 5.904 -22.463 1.00 35.43 H new ATOM 0 HG21 VAL A 41 6.007 5.099 -22.392 1.00 4.14 H new ATOM 0 HG22 VAL A 41 5.444 6.787 -22.363 1.00 4.14 H new ATOM 0 HG23 VAL A 41 6.515 6.184 -21.076 1.00 4.14 H new ATOM 472 N GLN A 42 5.260 6.401 -17.945 1.00 10.13 N ATOM 473 CA GLN A 42 6.317 6.686 -16.982 1.00 21.23 C ATOM 474 C GLN A 42 7.627 6.027 -17.401 1.00 22.03 C ATOM 475 O GLN A 42 8.651 6.694 -17.543 1.00 41.50 O ATOM 476 CB GLN A 42 5.911 6.201 -15.589 1.00 22.12 C ATOM 477 CG GLN A 42 6.336 7.139 -14.470 1.00 61.34 C ATOM 478 CD GLN A 42 7.383 6.526 -13.561 1.00 41.12 C ATOM 479 OE1 GLN A 42 8.481 6.184 -14.002 1.00 1.44 O ATOM 480 NE2 GLN A 42 7.048 6.384 -12.284 1.00 64.21 N ATOM 0 H GLN A 42 4.605 5.676 -17.651 1.00 10.13 H new ATOM 0 HA GLN A 42 6.467 7.765 -16.954 1.00 21.23 H new ATOM 0 HB2 GLN A 42 4.828 6.078 -15.557 1.00 22.12 H new ATOM 0 HB3 GLN A 42 6.348 5.218 -15.414 1.00 22.12 H new ATOM 0 HG2 GLN A 42 6.729 8.059 -14.902 1.00 61.34 H new ATOM 0 HG3 GLN A 42 5.462 7.413 -13.879 1.00 61.34 H new ATOM 0 HE21 GLN A 42 6.127 6.681 -11.962 1.00 64.21 H new ATOM 0 HE22 GLN A 42 7.712 5.978 -11.625 1.00 64.21 H new ATOM 489 N ALA A 43 7.587 4.713 -17.596 1.00 51.13 N ATOM 490 CA ALA A 43 8.770 3.964 -18.001 1.00 4.34 C ATOM 491 C ALA A 43 8.386 2.644 -18.661 1.00 0.44 C ATOM 492 O ALA A 43 7.239 2.206 -18.573 1.00 70.04 O ATOM 493 CB ALA A 43 9.672 3.714 -16.801 1.00 32.13 C ATOM 0 H ALA A 43 6.748 4.145 -17.480 1.00 51.13 H new ATOM 0 HA ALA A 43 9.314 4.560 -18.733 1.00 4.34 H new ATOM 0 HB1 ALA A 43 10.552 3.154 -17.118 1.00 32.13 H new ATOM 0 HB2 ALA A 43 9.983 4.668 -16.375 1.00 32.13 H new ATOM 0 HB3 ALA A 43 9.128 3.141 -16.050 1.00 32.13 H new ATOM 499 N VAL A 44 9.352 2.015 -19.322 1.00 4.23 N ATOM 500 CA VAL A 44 9.115 0.745 -19.997 1.00 21.35 C ATOM 501 C VAL A 44 10.355 -0.142 -19.951 1.00 14.30 C ATOM 502 O VAL A 44 11.482 0.346 -20.028 1.00 41.33 O ATOM 503 CB VAL A 44 8.703 0.958 -21.465 1.00 64.34 C ATOM 504 CG1 VAL A 44 9.786 1.716 -22.219 1.00 33.40 C ATOM 505 CG2 VAL A 44 8.411 -0.377 -22.135 1.00 14.50 C ATOM 0 H VAL A 44 10.307 2.364 -19.404 1.00 4.23 H new ATOM 0 HA VAL A 44 8.300 0.252 -19.467 1.00 21.35 H new ATOM 0 HB VAL A 44 7.792 1.556 -21.486 1.00 64.34 H new ATOM 0 HG11 VAL A 44 9.477 1.857 -23.255 1.00 33.40 H new ATOM 0 HG12 VAL A 44 9.943 2.688 -21.751 1.00 33.40 H new ATOM 0 HG13 VAL A 44 10.715 1.146 -22.192 1.00 33.40 H new ATOM 0 HG21 VAL A 44 8.121 -0.208 -23.172 1.00 14.50 H new ATOM 0 HG22 VAL A 44 9.303 -1.002 -22.105 1.00 14.50 H new ATOM 0 HG23 VAL A 44 7.599 -0.878 -21.609 1.00 14.50 H new ATOM 515 N TRP A 45 10.138 -1.446 -19.826 1.00 12.14 N ATOM 516 CA TRP A 45 11.238 -2.402 -19.770 1.00 43.52 C ATOM 517 C TRP A 45 10.749 -3.814 -20.072 1.00 13.45 C ATOM 518 O TRP A 45 9.545 -4.069 -20.104 1.00 72.13 O ATOM 519 CB TRP A 45 11.906 -2.363 -18.395 1.00 0.43 C ATOM 520 CG TRP A 45 13.331 -2.827 -18.413 1.00 0.23 C ATOM 521 CD1 TRP A 45 13.882 -3.811 -17.643 1.00 2.12 C ATOM 522 CD2 TRP A 45 14.386 -2.324 -19.240 1.00 74.04 C ATOM 523 NE1 TRP A 45 15.216 -3.950 -17.942 1.00 61.20 N ATOM 524 CE2 TRP A 45 15.549 -3.050 -18.920 1.00 22.35 C ATOM 525 CE3 TRP A 45 14.460 -1.333 -20.223 1.00 11.24 C ATOM 526 CZ2 TRP A 45 16.770 -2.814 -19.546 1.00 1.03 C ATOM 527 CZ3 TRP A 45 15.672 -1.099 -20.843 1.00 24.31 C ATOM 528 CH2 TRP A 45 16.814 -1.838 -20.503 1.00 40.44 C ATOM 0 H TRP A 45 9.211 -1.866 -19.761 1.00 12.14 H new ATOM 0 HA TRP A 45 11.969 -2.121 -20.529 1.00 43.52 H new ATOM 0 HB2 TRP A 45 11.868 -1.344 -18.009 1.00 0.43 H new ATOM 0 HB3 TRP A 45 11.337 -2.986 -17.705 1.00 0.43 H new ATOM 0 HD1 TRP A 45 13.348 -4.394 -16.907 1.00 2.12 H new ATOM 0 HE1 TRP A 45 15.855 -4.615 -17.506 1.00 61.20 H new ATOM 0 HE3 TRP A 45 13.585 -0.760 -20.493 1.00 11.24 H new ATOM 0 HZ2 TRP A 45 17.651 -3.382 -19.285 1.00 1.03 H new ATOM 0 HZ3 TRP A 45 15.741 -0.334 -21.602 1.00 24.31 H new ATOM 0 HH2 TRP A 45 17.747 -1.632 -21.007 1.00 40.44 H new ATOM 539 N ARG A 46 11.689 -4.727 -20.291 1.00 33.23 N ATOM 540 CA ARG A 46 11.352 -6.114 -20.590 1.00 54.43 C ATOM 541 C ARG A 46 12.510 -7.043 -20.239 1.00 13.15 C ATOM 542 O ARG A 46 13.675 -6.704 -20.444 1.00 42.31 O ATOM 543 CB ARG A 46 10.993 -6.265 -22.070 1.00 22.43 C ATOM 544 CG ARG A 46 12.090 -5.798 -23.013 1.00 74.10 C ATOM 545 CD ARG A 46 11.956 -4.317 -23.332 1.00 62.32 C ATOM 546 NE ARG A 46 11.737 -4.082 -24.757 1.00 33.12 N ATOM 547 CZ ARG A 46 11.365 -2.910 -25.259 1.00 41.04 C ATOM 548 NH1 ARG A 46 11.173 -1.872 -24.457 1.00 51.13 N ATOM 549 NH2 ARG A 46 11.185 -2.774 -26.567 1.00 64.41 N ATOM 0 H ARG A 46 12.690 -4.532 -20.267 1.00 33.23 H new ATOM 0 HA ARG A 46 10.490 -6.392 -19.983 1.00 54.43 H new ATOM 0 HB2 ARG A 46 10.770 -7.312 -22.276 1.00 22.43 H new ATOM 0 HB3 ARG A 46 10.084 -5.699 -22.274 1.00 22.43 H new ATOM 0 HG2 ARG A 46 13.064 -5.988 -22.562 1.00 74.10 H new ATOM 0 HG3 ARG A 46 12.048 -6.376 -23.936 1.00 74.10 H new ATOM 0 HD2 ARG A 46 11.126 -3.897 -22.764 1.00 62.32 H new ATOM 0 HD3 ARG A 46 12.858 -3.794 -23.013 1.00 62.32 H new ATOM 0 HE ARG A 46 11.877 -4.860 -25.401 1.00 33.12 H new ATOM 0 HH11 ARG A 46 11.311 -1.972 -23.451 1.00 51.13 H new ATOM 0 HH12 ARG A 46 10.887 -0.973 -24.846 1.00 51.13 H new ATOM 0 HH21 ARG A 46 11.332 -3.570 -27.188 1.00 64.41 H new ATOM 0 HH22 ARG A 46 10.899 -1.874 -26.952 1.00 64.41 H new ATOM 563 N ARG A 47 12.180 -8.216 -19.707 1.00 2.50 N ATOM 564 CA ARG A 47 13.192 -9.193 -19.325 1.00 45.31 C ATOM 565 C ARG A 47 12.728 -10.610 -19.645 1.00 73.41 C ATOM 566 O ARG A 47 11.542 -10.849 -19.874 1.00 34.02 O ATOM 567 CB ARG A 47 13.510 -9.073 -17.833 1.00 61.34 C ATOM 568 CG ARG A 47 12.286 -9.187 -16.939 1.00 42.51 C ATOM 569 CD ARG A 47 11.741 -7.817 -16.565 1.00 21.10 C ATOM 570 NE ARG A 47 11.074 -7.830 -15.266 1.00 2.23 N ATOM 571 CZ ARG A 47 10.517 -6.757 -14.715 1.00 42.11 C ATOM 572 NH1 ARG A 47 10.546 -5.592 -15.348 1.00 25.13 N ATOM 573 NH2 ARG A 47 9.929 -6.848 -13.529 1.00 72.13 N ATOM 0 H ARG A 47 11.220 -8.512 -19.531 1.00 2.50 H new ATOM 0 HA ARG A 47 14.095 -8.987 -19.900 1.00 45.31 H new ATOM 0 HB2 ARG A 47 14.224 -9.850 -17.559 1.00 61.34 H new ATOM 0 HB3 ARG A 47 13.996 -8.115 -17.649 1.00 61.34 H new ATOM 0 HG2 ARG A 47 11.513 -9.761 -17.450 1.00 42.51 H new ATOM 0 HG3 ARG A 47 12.545 -9.737 -16.034 1.00 42.51 H new ATOM 0 HD2 ARG A 47 12.557 -7.095 -16.546 1.00 21.10 H new ATOM 0 HD3 ARG A 47 11.039 -7.485 -17.330 1.00 21.10 H new ATOM 0 HE ARG A 47 11.034 -8.711 -14.754 1.00 2.23 H new ATOM 0 HH11 ARG A 47 10.997 -5.518 -16.260 1.00 25.13 H new ATOM 0 HH12 ARG A 47 10.118 -4.770 -14.923 1.00 25.13 H new ATOM 0 HH21 ARG A 47 9.904 -7.742 -13.039 1.00 72.13 H new ATOM 0 HH22 ARG A 47 9.502 -6.024 -13.107 1.00 72.13 H new ATOM 587 N TYR A 48 13.670 -11.547 -19.660 1.00 54.11 N ATOM 588 CA TYR A 48 13.357 -12.940 -19.955 1.00 64.21 C ATOM 589 C TYR A 48 14.292 -13.880 -19.199 1.00 40.31 C ATOM 590 O TYR A 48 15.512 -13.812 -19.347 1.00 5.20 O ATOM 591 CB TYR A 48 13.461 -13.201 -21.459 1.00 2.32 C ATOM 592 CG TYR A 48 14.774 -12.754 -22.061 1.00 60.15 C ATOM 593 CD1 TYR A 48 15.806 -13.660 -22.276 1.00 51.42 C ATOM 594 CD2 TYR A 48 14.983 -11.427 -22.415 1.00 40.12 C ATOM 595 CE1 TYR A 48 17.007 -13.256 -22.826 1.00 24.10 C ATOM 596 CE2 TYR A 48 16.181 -11.015 -22.967 1.00 14.21 C ATOM 597 CZ TYR A 48 17.190 -11.933 -23.170 1.00 53.11 C ATOM 598 OH TYR A 48 18.385 -11.526 -23.718 1.00 74.00 O ATOM 0 H TYR A 48 14.656 -11.367 -19.471 1.00 54.11 H new ATOM 0 HA TYR A 48 12.335 -13.133 -19.629 1.00 64.21 H new ATOM 0 HB2 TYR A 48 13.330 -14.267 -21.644 1.00 2.32 H new ATOM 0 HB3 TYR A 48 12.645 -12.687 -21.966 1.00 2.32 H new ATOM 0 HD1 TYR A 48 15.667 -14.697 -22.009 1.00 51.42 H new ATOM 0 HD2 TYR A 48 14.196 -10.705 -22.256 1.00 40.12 H new ATOM 0 HE1 TYR A 48 17.799 -13.973 -22.986 1.00 24.10 H new ATOM 0 HE2 TYR A 48 16.326 -9.980 -23.238 1.00 14.21 H new ATOM 0 HH TYR A 48 18.349 -10.564 -23.904 1.00 74.00 H new ATOM 608 N PHE A 49 13.710 -14.757 -18.389 1.00 34.14 N ATOM 609 CA PHE A 49 14.489 -15.711 -17.608 1.00 74.32 C ATOM 610 C PHE A 49 14.781 -16.969 -18.421 1.00 73.13 C ATOM 611 O PHE A 49 13.865 -17.653 -18.876 1.00 73.52 O ATOM 612 CB PHE A 49 13.743 -16.082 -16.325 1.00 10.15 C ATOM 613 CG PHE A 49 14.599 -16.012 -15.092 1.00 41.34 C ATOM 614 CD1 PHE A 49 14.864 -14.795 -14.485 1.00 13.10 C ATOM 615 CD2 PHE A 49 15.140 -17.163 -14.542 1.00 12.40 C ATOM 616 CE1 PHE A 49 15.651 -14.727 -13.351 1.00 11.32 C ATOM 617 CE2 PHE A 49 15.927 -17.101 -13.408 1.00 2.31 C ATOM 618 CZ PHE A 49 16.184 -15.881 -12.812 1.00 61.33 C ATOM 0 H PHE A 49 12.701 -14.827 -18.256 1.00 34.14 H new ATOM 0 HA PHE A 49 15.436 -15.240 -17.346 1.00 74.32 H new ATOM 0 HB2 PHE A 49 12.890 -15.414 -16.204 1.00 10.15 H new ATOM 0 HB3 PHE A 49 13.345 -17.092 -16.425 1.00 10.15 H new ATOM 0 HD1 PHE A 49 14.451 -13.889 -14.903 1.00 13.10 H new ATOM 0 HD2 PHE A 49 14.944 -18.119 -15.005 1.00 12.40 H new ATOM 0 HE1 PHE A 49 15.849 -13.772 -12.887 1.00 11.32 H new ATOM 0 HE2 PHE A 49 16.341 -18.006 -12.988 1.00 2.31 H new ATOM 0 HZ PHE A 49 16.800 -15.830 -11.927 1.00 61.33 H new ATOM 628 N ALA A 50 16.064 -17.266 -18.600 1.00 34.20 N ATOM 629 CA ALA A 50 16.477 -18.441 -19.356 1.00 64.54 C ATOM 630 C ALA A 50 16.375 -19.704 -18.508 1.00 61.50 C ATOM 631 O ALA A 50 16.149 -20.796 -19.028 1.00 21.44 O ATOM 632 CB ALA A 50 17.898 -18.264 -19.873 1.00 15.23 C ATOM 0 H ALA A 50 16.835 -16.709 -18.232 1.00 34.20 H new ATOM 0 HA ALA A 50 15.803 -18.550 -20.206 1.00 64.54 H new ATOM 0 HB1 ALA A 50 18.193 -19.149 -20.436 1.00 15.23 H new ATOM 0 HB2 ALA A 50 17.943 -17.390 -20.522 1.00 15.23 H new ATOM 0 HB3 ALA A 50 18.577 -18.126 -19.031 1.00 15.23 H new ATOM 638 N GLY A 51 16.544 -19.548 -17.198 1.00 52.44 N ATOM 639 CA GLY A 51 16.468 -20.684 -16.299 1.00 74.23 C ATOM 640 C GLY A 51 17.765 -21.466 -16.241 1.00 42.35 C ATOM 641 O GLY A 51 18.180 -22.069 -17.231 1.00 62.40 O ATOM 0 H GLY A 51 16.732 -18.654 -16.744 1.00 52.44 H new ATOM 0 HA2 GLY A 51 16.213 -20.335 -15.298 1.00 74.23 H new ATOM 0 HA3 GLY A 51 15.663 -21.345 -16.621 1.00 74.23 H new ATOM 645 N LYS A 52 18.410 -21.454 -15.080 1.00 34.24 N ATOM 646 CA LYS A 52 19.668 -22.167 -14.895 1.00 44.42 C ATOM 647 C LYS A 52 19.751 -22.773 -13.498 1.00 10.52 C ATOM 648 O LYS A 52 20.708 -22.532 -12.761 1.00 72.51 O ATOM 649 CB LYS A 52 20.851 -21.222 -15.124 1.00 32.32 C ATOM 650 CG LYS A 52 22.190 -21.934 -15.211 1.00 74.22 C ATOM 651 CD LYS A 52 22.817 -21.776 -16.586 1.00 53.22 C ATOM 652 CE LYS A 52 24.291 -22.150 -16.573 1.00 31.10 C ATOM 653 NZ LYS A 52 25.158 -20.977 -16.275 1.00 3.10 N ATOM 0 H LYS A 52 18.082 -20.957 -14.252 1.00 34.24 H new ATOM 0 HA LYS A 52 19.709 -22.976 -15.625 1.00 44.42 H new ATOM 0 HB2 LYS A 52 20.686 -20.663 -16.045 1.00 32.32 H new ATOM 0 HB3 LYS A 52 20.887 -20.495 -14.312 1.00 32.32 H new ATOM 0 HG2 LYS A 52 22.865 -21.535 -14.454 1.00 74.22 H new ATOM 0 HG3 LYS A 52 22.055 -22.993 -14.991 1.00 74.22 H new ATOM 0 HD2 LYS A 52 22.288 -22.404 -17.303 1.00 53.22 H new ATOM 0 HD3 LYS A 52 22.705 -20.745 -16.922 1.00 53.22 H new ATOM 0 HE2 LYS A 52 24.462 -22.927 -15.828 1.00 31.10 H new ATOM 0 HE3 LYS A 52 24.568 -22.570 -17.540 1.00 31.10 H new ATOM 0 HZ1 LYS A 52 26.155 -21.273 -16.275 1.00 3.10 H new ATOM 0 HZ2 LYS A 52 25.014 -20.246 -17.000 1.00 3.10 H new ATOM 0 HZ3 LYS A 52 24.912 -20.592 -15.341 1.00 3.10 H new ATOM 667 N LYS A 53 18.743 -23.560 -13.139 1.00 20.40 N ATOM 668 CA LYS A 53 18.702 -24.204 -11.831 1.00 42.32 C ATOM 669 C LYS A 53 17.985 -25.548 -11.908 1.00 51.31 C ATOM 670 O LYS A 53 17.461 -25.923 -12.957 1.00 64.41 O ATOM 671 CB LYS A 53 18.002 -23.297 -10.816 1.00 23.52 C ATOM 672 CG LYS A 53 16.568 -22.962 -11.187 1.00 22.12 C ATOM 673 CD LYS A 53 16.458 -21.569 -11.785 1.00 31.55 C ATOM 674 CE LYS A 53 15.134 -21.376 -12.507 1.00 75.42 C ATOM 675 NZ LYS A 53 14.194 -20.527 -11.725 1.00 15.40 N ATOM 0 H LYS A 53 17.942 -23.768 -13.736 1.00 20.40 H new ATOM 0 HA LYS A 53 19.728 -24.378 -11.507 1.00 42.32 H new ATOM 0 HB2 LYS A 53 18.012 -23.782 -9.840 1.00 23.52 H new ATOM 0 HB3 LYS A 53 18.569 -22.371 -10.717 1.00 23.52 H new ATOM 0 HG2 LYS A 53 16.195 -23.696 -11.901 1.00 22.12 H new ATOM 0 HG3 LYS A 53 15.937 -23.030 -10.301 1.00 22.12 H new ATOM 0 HD2 LYS A 53 16.555 -20.824 -10.995 1.00 31.55 H new ATOM 0 HD3 LYS A 53 17.281 -21.405 -12.481 1.00 31.55 H new ATOM 0 HE2 LYS A 53 15.314 -20.917 -13.479 1.00 75.42 H new ATOM 0 HE3 LYS A 53 14.677 -22.348 -12.693 1.00 75.42 H new ATOM 0 HZ1 LYS A 53 13.303 -20.420 -12.251 1.00 15.40 H new ATOM 0 HZ2 LYS A 53 14.002 -20.977 -10.807 1.00 15.40 H new ATOM 0 HZ3 LYS A 53 14.619 -19.591 -11.569 1.00 15.40 H new ATOM 689 N ASP A 54 17.964 -26.266 -10.791 1.00 74.41 N ATOM 690 CA ASP A 54 17.308 -27.568 -10.732 1.00 11.45 C ATOM 691 C ASP A 54 15.907 -27.444 -10.141 1.00 53.41 C ATOM 692 O ASP A 54 15.389 -28.386 -9.543 1.00 21.04 O ATOM 693 CB ASP A 54 18.141 -28.545 -9.900 1.00 14.51 C ATOM 694 CG ASP A 54 19.533 -28.745 -10.465 1.00 71.42 C ATOM 695 OD1 ASP A 54 19.742 -28.429 -11.655 1.00 73.45 O ATOM 696 OD2 ASP A 54 20.414 -29.218 -9.717 1.00 50.32 O ATOM 0 H ASP A 54 18.393 -25.969 -9.914 1.00 74.41 H new ATOM 0 HA ASP A 54 17.222 -27.950 -11.749 1.00 11.45 H new ATOM 0 HB2 ASP A 54 18.217 -28.174 -8.878 1.00 14.51 H new ATOM 0 HB3 ASP A 54 17.629 -29.506 -9.854 1.00 14.51 H new ATOM 701 N ALA A 55 15.299 -26.274 -10.313 1.00 60.32 N ATOM 702 CA ALA A 55 13.958 -26.027 -9.798 1.00 71.34 C ATOM 703 C ALA A 55 12.969 -25.791 -10.935 1.00 13.24 C ATOM 704 O ALA A 55 13.346 -25.467 -12.061 1.00 32.10 O ATOM 705 CB ALA A 55 13.968 -24.839 -8.849 1.00 12.34 C ATOM 0 H ALA A 55 15.714 -25.483 -10.805 1.00 60.32 H new ATOM 0 HA ALA A 55 13.637 -26.913 -9.250 1.00 71.34 H new ATOM 0 HB1 ALA A 55 12.960 -24.666 -8.472 1.00 12.34 H new ATOM 0 HB2 ALA A 55 14.637 -25.046 -8.014 1.00 12.34 H new ATOM 0 HB3 ALA A 55 14.314 -23.952 -9.380 1.00 12.34 H new ATOM 711 N PRO A 56 11.672 -25.956 -10.635 1.00 73.21 N ATOM 712 CA PRO A 56 10.602 -25.766 -11.619 1.00 14.23 C ATOM 713 C PRO A 56 10.426 -24.302 -12.008 1.00 51.01 C ATOM 714 O PRO A 56 10.965 -23.396 -11.371 1.00 74.34 O ATOM 715 CB PRO A 56 9.356 -26.279 -10.892 1.00 2.13 C ATOM 716 CG PRO A 56 9.669 -26.117 -9.444 1.00 70.21 C ATOM 717 CD PRO A 56 11.150 -26.341 -9.313 1.00 21.40 C ATOM 0 HA PRO A 56 10.811 -26.286 -12.554 1.00 14.23 H new ATOM 0 HB2 PRO A 56 8.471 -25.708 -11.172 1.00 2.13 H new ATOM 0 HB3 PRO A 56 9.154 -27.321 -11.139 1.00 2.13 H new ATOM 0 HG2 PRO A 56 9.392 -25.123 -9.094 1.00 70.21 H new ATOM 0 HG3 PRO A 56 9.111 -26.834 -8.842 1.00 70.21 H new ATOM 0 HD2 PRO A 56 11.580 -25.731 -8.518 1.00 21.40 H new ATOM 0 HD3 PRO A 56 11.380 -27.380 -9.077 1.00 21.40 H new ATOM 725 N PRO A 57 9.654 -24.062 -13.079 1.00 21.15 N ATOM 726 CA PRO A 57 9.389 -22.709 -13.576 1.00 11.10 C ATOM 727 C PRO A 57 8.498 -21.908 -12.632 1.00 21.50 C ATOM 728 O PRO A 57 7.283 -22.102 -12.598 1.00 44.41 O ATOM 729 CB PRO A 57 8.674 -22.954 -14.907 1.00 34.11 C ATOM 730 CG PRO A 57 8.050 -24.299 -14.760 1.00 11.04 C ATOM 731 CD PRO A 57 8.980 -25.093 -13.885 1.00 64.43 C ATOM 0 HA PRO A 57 10.303 -22.123 -13.669 1.00 11.10 H new ATOM 0 HB2 PRO A 57 7.923 -22.188 -15.100 1.00 34.11 H new ATOM 0 HB3 PRO A 57 9.374 -22.931 -15.742 1.00 34.11 H new ATOM 0 HG2 PRO A 57 7.060 -24.223 -14.310 1.00 11.04 H new ATOM 0 HG3 PRO A 57 7.923 -24.778 -15.731 1.00 11.04 H new ATOM 0 HD2 PRO A 57 8.436 -25.801 -13.259 1.00 64.43 H new ATOM 0 HD3 PRO A 57 9.692 -25.671 -14.475 1.00 64.43 H new ATOM 739 N GLU A 58 9.111 -21.010 -11.868 1.00 15.44 N ATOM 740 CA GLU A 58 8.371 -20.181 -10.923 1.00 2.51 C ATOM 741 C GLU A 58 8.038 -18.823 -11.535 1.00 74.24 C ATOM 742 O GLU A 58 6.928 -18.314 -11.376 1.00 63.10 O ATOM 743 CB GLU A 58 9.180 -19.988 -9.638 1.00 55.21 C ATOM 744 CG GLU A 58 8.337 -19.566 -8.446 1.00 53.03 C ATOM 745 CD GLU A 58 8.102 -20.700 -7.467 1.00 4.20 C ATOM 746 OE1 GLU A 58 7.320 -21.616 -7.797 1.00 10.41 O ATOM 747 OE2 GLU A 58 8.701 -20.671 -6.371 1.00 73.34 O ATOM 0 H GLU A 58 10.116 -20.838 -11.884 1.00 15.44 H new ATOM 0 HA GLU A 58 7.438 -20.692 -10.684 1.00 2.51 H new ATOM 0 HB2 GLU A 58 9.693 -20.919 -9.398 1.00 55.21 H new ATOM 0 HB3 GLU A 58 9.950 -19.236 -9.813 1.00 55.21 H new ATOM 0 HG2 GLU A 58 8.830 -18.742 -7.930 1.00 53.03 H new ATOM 0 HG3 GLU A 58 7.376 -19.191 -8.800 1.00 53.03 H new ATOM 754 N SER A 59 9.006 -18.243 -12.236 1.00 44.41 N ATOM 755 CA SER A 59 8.818 -16.943 -12.869 1.00 41.52 C ATOM 756 C SER A 59 8.218 -17.099 -14.263 1.00 43.12 C ATOM 757 O SER A 59 8.185 -18.198 -14.817 1.00 32.02 O ATOM 758 CB SER A 59 10.151 -16.196 -12.956 1.00 33.03 C ATOM 759 OG SER A 59 11.170 -16.889 -12.255 1.00 53.55 O ATOM 0 H SER A 59 9.929 -18.653 -12.380 1.00 44.41 H new ATOM 0 HA SER A 59 8.125 -16.366 -12.257 1.00 41.52 H new ATOM 0 HB2 SER A 59 10.439 -16.079 -14.001 1.00 33.03 H new ATOM 0 HB3 SER A 59 10.038 -15.194 -12.543 1.00 33.03 H new ATOM 0 HG SER A 59 12.012 -16.393 -12.327 1.00 53.55 H new ATOM 765 N ARG A 60 7.746 -15.991 -14.825 1.00 14.02 N ATOM 766 CA ARG A 60 7.146 -16.004 -16.153 1.00 53.14 C ATOM 767 C ARG A 60 8.070 -15.346 -17.174 1.00 22.41 C ATOM 768 O ARG A 60 8.454 -14.186 -17.024 1.00 11.21 O ATOM 769 CB ARG A 60 5.796 -15.284 -16.134 1.00 30.01 C ATOM 770 CG ARG A 60 4.753 -15.969 -15.267 1.00 34.43 C ATOM 771 CD ARG A 60 4.273 -17.269 -15.894 1.00 63.02 C ATOM 772 NE ARG A 60 3.073 -17.783 -15.240 1.00 3.04 N ATOM 773 CZ ARG A 60 3.092 -18.456 -14.094 1.00 52.05 C ATOM 774 NH1 ARG A 60 4.242 -18.695 -13.480 1.00 45.45 N ATOM 775 NH2 ARG A 60 1.958 -18.891 -13.561 1.00 34.40 N ATOM 0 H ARG A 60 7.768 -15.073 -14.381 1.00 14.02 H new ATOM 0 HA ARG A 60 6.992 -17.043 -16.444 1.00 53.14 H new ATOM 0 HB2 ARG A 60 5.942 -14.265 -15.775 1.00 30.01 H new ATOM 0 HB3 ARG A 60 5.418 -15.212 -17.154 1.00 30.01 H new ATOM 0 HG2 ARG A 60 5.174 -16.172 -14.282 1.00 34.43 H new ATOM 0 HG3 ARG A 60 3.905 -15.300 -15.119 1.00 34.43 H new ATOM 0 HD2 ARG A 60 4.068 -17.107 -16.952 1.00 63.02 H new ATOM 0 HD3 ARG A 60 5.066 -18.015 -15.834 1.00 63.02 H new ATOM 0 HE ARG A 60 2.171 -17.617 -15.687 1.00 3.04 H new ATOM 0 HH11 ARG A 60 5.116 -18.362 -13.887 1.00 45.45 H new ATOM 0 HH12 ARG A 60 4.253 -19.212 -12.601 1.00 45.45 H new ATOM 0 HH21 ARG A 60 1.071 -18.709 -14.031 1.00 34.40 H new ATOM 0 HH22 ARG A 60 1.973 -19.407 -12.682 1.00 34.40 H new ATOM 789 N THR A 61 8.425 -16.096 -18.213 1.00 25.34 N ATOM 790 CA THR A 61 9.306 -15.588 -19.257 1.00 11.22 C ATOM 791 C THR A 61 8.575 -15.486 -20.591 1.00 21.02 C ATOM 792 O THR A 61 8.324 -16.494 -21.252 1.00 2.02 O ATOM 793 CB THR A 61 10.547 -16.484 -19.431 1.00 54.21 C ATOM 794 OG1 THR A 61 11.265 -16.101 -20.609 1.00 64.51 O ATOM 795 CG2 THR A 61 10.147 -17.948 -19.528 1.00 21.53 C ATOM 0 H THR A 61 8.116 -17.058 -18.354 1.00 25.34 H new ATOM 0 HA THR A 61 9.626 -14.594 -18.944 1.00 11.22 H new ATOM 0 HB THR A 61 11.187 -16.356 -18.558 1.00 54.21 H new ATOM 0 HG1 THR A 61 12.053 -16.674 -20.712 1.00 64.51 H new ATOM 0 HG21 THR A 61 11.039 -18.562 -19.650 1.00 21.53 H new ATOM 0 HG22 THR A 61 9.625 -18.244 -18.618 1.00 21.53 H new ATOM 0 HG23 THR A 61 9.489 -18.089 -20.385 1.00 21.53 H new ATOM 803 N LYS A 62 8.236 -14.262 -20.982 1.00 61.54 N ATOM 804 CA LYS A 62 7.535 -14.028 -22.239 1.00 44.44 C ATOM 805 C LYS A 62 8.122 -12.826 -22.973 1.00 41.20 C ATOM 806 O LYS A 62 8.753 -11.952 -22.378 1.00 31.13 O ATOM 807 CB LYS A 62 6.044 -13.803 -21.981 1.00 52.43 C ATOM 808 CG LYS A 62 5.761 -12.923 -20.776 1.00 21.03 C ATOM 809 CD LYS A 62 5.522 -13.752 -19.525 1.00 12.33 C ATOM 810 CE LYS A 62 4.043 -14.045 -19.325 1.00 73.20 C ATOM 811 NZ LYS A 62 3.682 -15.415 -19.784 1.00 61.12 N ATOM 0 H LYS A 62 8.435 -13.417 -20.447 1.00 61.54 H new ATOM 0 HA LYS A 62 7.660 -14.911 -22.866 1.00 44.44 H new ATOM 0 HB2 LYS A 62 5.595 -13.350 -22.865 1.00 52.43 H new ATOM 0 HB3 LYS A 62 5.559 -14.769 -21.837 1.00 52.43 H new ATOM 0 HG2 LYS A 62 6.601 -12.248 -20.612 1.00 21.03 H new ATOM 0 HG3 LYS A 62 4.887 -12.302 -20.975 1.00 21.03 H new ATOM 0 HD2 LYS A 62 6.073 -14.690 -19.598 1.00 12.33 H new ATOM 0 HD3 LYS A 62 5.910 -13.221 -18.656 1.00 12.33 H new ATOM 0 HE2 LYS A 62 3.791 -13.937 -18.270 1.00 73.20 H new ATOM 0 HE3 LYS A 62 3.450 -13.311 -19.871 1.00 73.20 H new ATOM 0 HZ1 LYS A 62 2.702 -15.626 -19.509 1.00 61.12 H new ATOM 0 HZ2 LYS A 62 3.770 -15.469 -20.819 1.00 61.12 H new ATOM 0 HZ3 LYS A 62 4.322 -16.108 -19.345 1.00 61.12 H new ATOM 825 N PRO A 63 7.910 -12.778 -24.297 1.00 14.25 N ATOM 826 CA PRO A 63 8.408 -11.687 -25.139 1.00 53.41 C ATOM 827 C PRO A 63 7.680 -10.373 -24.876 1.00 4.52 C ATOM 828 O PRO A 63 8.175 -9.299 -25.218 1.00 4.30 O ATOM 829 CB PRO A 63 8.125 -12.179 -26.561 1.00 11.23 C ATOM 830 CG PRO A 63 6.987 -13.129 -26.413 1.00 51.23 C ATOM 831 CD PRO A 63 7.166 -13.785 -25.072 1.00 42.12 C ATOM 0 HA PRO A 63 9.460 -11.473 -24.948 1.00 53.41 H new ATOM 0 HB2 PRO A 63 7.867 -11.352 -27.222 1.00 11.23 H new ATOM 0 HB3 PRO A 63 8.998 -12.670 -26.991 1.00 11.23 H new ATOM 0 HG2 PRO A 63 6.032 -12.606 -26.467 1.00 51.23 H new ATOM 0 HG3 PRO A 63 6.990 -13.869 -27.213 1.00 51.23 H new ATOM 0 HD2 PRO A 63 6.208 -14.021 -24.609 1.00 42.12 H new ATOM 0 HD3 PRO A 63 7.720 -14.720 -25.153 1.00 42.12 H new ATOM 839 N SER A 64 6.503 -10.465 -24.265 1.00 43.14 N ATOM 840 CA SER A 64 5.706 -9.283 -23.959 1.00 41.11 C ATOM 841 C SER A 64 6.530 -8.257 -23.186 1.00 60.43 C ATOM 842 O SER A 64 7.446 -8.612 -22.444 1.00 42.22 O ATOM 843 CB SER A 64 4.467 -9.673 -23.150 1.00 44.33 C ATOM 844 OG SER A 64 3.438 -10.156 -23.996 1.00 31.34 O ATOM 0 H SER A 64 6.080 -11.346 -23.972 1.00 43.14 H new ATOM 0 HA SER A 64 5.390 -8.834 -24.901 1.00 41.11 H new ATOM 0 HB2 SER A 64 4.731 -10.438 -22.420 1.00 44.33 H new ATOM 0 HB3 SER A 64 4.107 -8.809 -22.591 1.00 44.33 H new ATOM 0 HG SER A 64 2.658 -10.400 -23.456 1.00 31.34 H new ATOM 850 N VAL A 65 6.197 -6.983 -23.366 1.00 70.13 N ATOM 851 CA VAL A 65 6.904 -5.905 -22.686 1.00 41.30 C ATOM 852 C VAL A 65 6.056 -5.312 -21.566 1.00 62.22 C ATOM 853 O VAL A 65 4.827 -5.304 -21.641 1.00 43.01 O ATOM 854 CB VAL A 65 7.295 -4.784 -23.667 1.00 43.41 C ATOM 855 CG1 VAL A 65 8.320 -5.287 -24.672 1.00 42.20 C ATOM 856 CG2 VAL A 65 6.063 -4.242 -24.376 1.00 32.33 C ATOM 0 H VAL A 65 5.442 -6.672 -23.977 1.00 70.13 H new ATOM 0 HA VAL A 65 7.809 -6.339 -22.262 1.00 41.30 H new ATOM 0 HB VAL A 65 7.747 -3.970 -23.100 1.00 43.41 H new ATOM 0 HG11 VAL A 65 8.584 -4.481 -25.357 1.00 42.20 H new ATOM 0 HG12 VAL A 65 9.213 -5.622 -24.144 1.00 42.20 H new ATOM 0 HG13 VAL A 65 7.899 -6.119 -25.236 1.00 42.20 H new ATOM 0 HG21 VAL A 65 6.358 -3.451 -25.065 1.00 32.33 H new ATOM 0 HG22 VAL A 65 5.580 -5.046 -24.932 1.00 32.33 H new ATOM 0 HG23 VAL A 65 5.367 -3.841 -23.640 1.00 32.33 H new ATOM 866 N PHE A 66 6.721 -4.816 -20.528 1.00 35.14 N ATOM 867 CA PHE A 66 6.028 -4.221 -19.391 1.00 20.14 C ATOM 868 C PHE A 66 6.145 -2.700 -19.417 1.00 45.04 C ATOM 869 O PHE A 66 7.235 -2.153 -19.590 1.00 72.02 O ATOM 870 CB PHE A 66 6.597 -4.765 -18.078 1.00 41.34 C ATOM 871 CG PHE A 66 6.762 -6.258 -18.069 1.00 53.32 C ATOM 872 CD1 PHE A 66 7.945 -6.835 -17.637 1.00 14.12 C ATOM 873 CD2 PHE A 66 5.733 -7.084 -18.494 1.00 4.23 C ATOM 874 CE1 PHE A 66 8.099 -8.208 -17.627 1.00 23.42 C ATOM 875 CE2 PHE A 66 5.882 -8.458 -18.485 1.00 40.25 C ATOM 876 CZ PHE A 66 7.067 -9.021 -18.053 1.00 12.23 C ATOM 0 H PHE A 66 7.738 -4.814 -20.451 1.00 35.14 H new ATOM 0 HA PHE A 66 4.973 -4.488 -19.461 1.00 20.14 H new ATOM 0 HB2 PHE A 66 7.564 -4.299 -17.890 1.00 41.34 H new ATOM 0 HB3 PHE A 66 5.939 -4.475 -17.259 1.00 41.34 H new ATOM 0 HD1 PHE A 66 8.756 -6.204 -17.304 1.00 14.12 H new ATOM 0 HD2 PHE A 66 4.805 -6.649 -18.836 1.00 4.23 H new ATOM 0 HE1 PHE A 66 9.026 -8.645 -17.286 1.00 23.42 H new ATOM 0 HE2 PHE A 66 5.072 -9.091 -18.816 1.00 40.25 H new ATOM 0 HZ PHE A 66 7.186 -10.094 -18.048 1.00 12.23 H new ATOM 886 N VAL A 67 5.015 -2.022 -19.246 1.00 0.02 N ATOM 887 CA VAL A 67 4.990 -0.564 -19.250 1.00 32.23 C ATOM 888 C VAL A 67 4.238 -0.024 -18.038 1.00 62.42 C ATOM 889 O VAL A 67 3.214 -0.575 -17.633 1.00 63.02 O ATOM 890 CB VAL A 67 4.335 -0.018 -20.532 1.00 14.40 C ATOM 891 CG1 VAL A 67 5.179 -0.359 -21.750 1.00 74.14 C ATOM 892 CG2 VAL A 67 2.922 -0.562 -20.682 1.00 22.31 C ATOM 0 H VAL A 67 4.104 -2.459 -19.103 1.00 0.02 H new ATOM 0 HA VAL A 67 6.027 -0.229 -19.210 1.00 32.23 H new ATOM 0 HB VAL A 67 4.275 1.068 -20.454 1.00 14.40 H new ATOM 0 HG11 VAL A 67 4.700 0.035 -22.646 1.00 74.14 H new ATOM 0 HG12 VAL A 67 6.169 0.085 -21.643 1.00 74.14 H new ATOM 0 HG13 VAL A 67 5.274 -1.441 -21.835 1.00 74.14 H new ATOM 0 HG21 VAL A 67 2.474 -0.166 -21.593 1.00 22.31 H new ATOM 0 HG22 VAL A 67 2.955 -1.650 -20.737 1.00 22.31 H new ATOM 0 HG23 VAL A 67 2.323 -0.261 -19.823 1.00 22.31 H new ATOM 902 N VAL A 68 4.753 1.058 -17.463 1.00 22.30 N ATOM 903 CA VAL A 68 4.130 1.674 -16.298 1.00 10.21 C ATOM 904 C VAL A 68 3.716 3.111 -16.592 1.00 53.52 C ATOM 905 O VAL A 68 4.557 3.969 -16.860 1.00 4.23 O ATOM 906 CB VAL A 68 5.077 1.663 -15.083 1.00 71.11 C ATOM 907 CG1 VAL A 68 4.354 2.155 -13.838 1.00 65.22 C ATOM 908 CG2 VAL A 68 5.645 0.269 -14.864 1.00 21.00 C ATOM 0 H VAL A 68 5.600 1.526 -17.785 1.00 22.30 H new ATOM 0 HA VAL A 68 3.244 1.084 -16.064 1.00 10.21 H new ATOM 0 HB VAL A 68 5.906 2.341 -15.284 1.00 71.11 H new ATOM 0 HG11 VAL A 68 5.039 2.140 -12.990 1.00 65.22 H new ATOM 0 HG12 VAL A 68 4.000 3.173 -14.001 1.00 65.22 H new ATOM 0 HG13 VAL A 68 3.504 1.505 -13.630 1.00 65.22 H new ATOM 0 HG21 VAL A 68 6.312 0.279 -14.002 1.00 21.00 H new ATOM 0 HG22 VAL A 68 4.830 -0.432 -14.684 1.00 21.00 H new ATOM 0 HG23 VAL A 68 6.201 -0.041 -15.749 1.00 21.00 H new ATOM 918 N PHE A 69 2.413 3.368 -16.541 1.00 12.23 N ATOM 919 CA PHE A 69 1.886 4.702 -16.802 1.00 53.53 C ATOM 920 C PHE A 69 1.992 5.582 -15.560 1.00 51.42 C ATOM 921 O PHE A 69 1.809 5.114 -14.437 1.00 43.04 O ATOM 922 CB PHE A 69 0.427 4.617 -17.258 1.00 4.53 C ATOM 923 CG PHE A 69 0.247 3.888 -18.558 1.00 41.13 C ATOM 924 CD1 PHE A 69 0.016 4.586 -19.733 1.00 34.32 C ATOM 925 CD2 PHE A 69 0.309 2.505 -18.606 1.00 74.31 C ATOM 926 CE1 PHE A 69 -0.150 3.918 -20.931 1.00 74.54 C ATOM 927 CE2 PHE A 69 0.144 1.831 -19.802 1.00 11.23 C ATOM 928 CZ PHE A 69 -0.087 2.538 -20.966 1.00 11.45 C ATOM 0 H PHE A 69 1.703 2.670 -16.321 1.00 12.23 H new ATOM 0 HA PHE A 69 2.482 5.152 -17.596 1.00 53.53 H new ATOM 0 HB2 PHE A 69 -0.158 4.117 -16.486 1.00 4.53 H new ATOM 0 HB3 PHE A 69 0.027 5.626 -17.358 1.00 4.53 H new ATOM 0 HD1 PHE A 69 -0.035 5.665 -19.712 1.00 34.32 H new ATOM 0 HD2 PHE A 69 0.488 1.947 -17.699 1.00 74.31 H new ATOM 0 HE1 PHE A 69 -0.329 4.474 -21.839 1.00 74.54 H new ATOM 0 HE2 PHE A 69 0.196 0.753 -19.826 1.00 11.23 H new ATOM 0 HZ PHE A 69 -0.218 2.014 -21.901 1.00 11.45 H new ATOM 938 N ASN A 70 2.289 6.860 -15.771 1.00 42.54 N ATOM 939 CA ASN A 70 2.421 7.807 -14.670 1.00 22.35 C ATOM 940 C ASN A 70 1.070 8.418 -14.312 1.00 74.33 C ATOM 941 O ASN A 70 0.715 8.522 -13.138 1.00 73.32 O ATOM 942 CB ASN A 70 3.413 8.913 -15.036 1.00 32.12 C ATOM 943 CG ASN A 70 3.943 9.641 -13.816 1.00 0.21 C ATOM 944 OD1 ASN A 70 3.886 9.127 -12.699 1.00 24.12 O ATOM 945 ND2 ASN A 70 4.462 10.846 -14.025 1.00 71.52 N ATOM 0 H ASN A 70 2.443 7.264 -16.695 1.00 42.54 H new ATOM 0 HA ASN A 70 2.796 7.265 -13.802 1.00 22.35 H new ATOM 0 HB2 ASN A 70 4.247 8.481 -15.589 1.00 32.12 H new ATOM 0 HB3 ASN A 70 2.927 9.628 -15.700 1.00 32.12 H new ATOM 0 HD21 ASN A 70 4.834 11.384 -13.242 1.00 71.52 H new ATOM 0 HD22 ASN A 70 4.489 11.233 -14.968 1.00 71.52 H new ATOM 952 N SER A 71 0.320 8.820 -15.333 1.00 73.14 N ATOM 953 CA SER A 71 -0.992 9.424 -15.128 1.00 23.54 C ATOM 954 C SER A 71 -2.041 8.356 -14.834 1.00 32.20 C ATOM 955 O SER A 71 -2.136 7.352 -15.540 1.00 62.00 O ATOM 956 CB SER A 71 -1.402 10.234 -16.359 1.00 35.34 C ATOM 957 OG SER A 71 -0.503 11.305 -16.588 1.00 30.52 O ATOM 0 H SER A 71 0.598 8.738 -16.311 1.00 73.14 H new ATOM 0 HA SER A 71 -0.928 10.091 -14.269 1.00 23.54 H new ATOM 0 HB2 SER A 71 -1.428 9.584 -17.234 1.00 35.34 H new ATOM 0 HB3 SER A 71 -2.410 10.625 -16.222 1.00 35.34 H new ATOM 0 HG SER A 71 -0.786 11.806 -17.381 1.00 30.52 H new ATOM 963 N SER A 72 -2.828 8.581 -13.786 1.00 61.45 N ATOM 964 CA SER A 72 -3.869 7.637 -13.396 1.00 23.13 C ATOM 965 C SER A 72 -4.915 7.496 -14.497 1.00 30.51 C ATOM 966 O SER A 72 -5.275 6.385 -14.886 1.00 12.10 O ATOM 967 CB SER A 72 -4.537 8.091 -12.097 1.00 11.43 C ATOM 968 OG SER A 72 -4.862 9.470 -12.145 1.00 63.14 O ATOM 0 H SER A 72 -2.764 9.408 -13.192 1.00 61.45 H new ATOM 0 HA SER A 72 -3.402 6.665 -13.236 1.00 23.13 H new ATOM 0 HB2 SER A 72 -5.441 7.507 -11.926 1.00 11.43 H new ATOM 0 HB3 SER A 72 -3.871 7.900 -11.256 1.00 11.43 H new ATOM 0 HG SER A 72 -5.289 9.735 -11.304 1.00 63.14 H new ATOM 974 N GLU A 73 -5.399 8.630 -14.994 1.00 65.44 N ATOM 975 CA GLU A 73 -6.404 8.632 -16.050 1.00 53.32 C ATOM 976 C GLU A 73 -5.915 7.856 -17.270 1.00 11.24 C ATOM 977 O GLU A 73 -6.570 6.919 -17.724 1.00 65.43 O ATOM 978 CB GLU A 73 -6.751 10.068 -16.451 1.00 72.30 C ATOM 979 CG GLU A 73 -8.195 10.447 -16.167 1.00 3.14 C ATOM 980 CD GLU A 73 -8.470 11.918 -16.410 1.00 10.32 C ATOM 981 OE1 GLU A 73 -8.855 12.616 -15.448 1.00 74.21 O ATOM 982 OE2 GLU A 73 -8.301 12.372 -17.561 1.00 24.13 O ATOM 0 H GLU A 73 -5.112 9.558 -14.683 1.00 65.44 H new ATOM 0 HA GLU A 73 -7.299 8.143 -15.665 1.00 53.32 H new ATOM 0 HB2 GLU A 73 -6.093 10.754 -15.918 1.00 72.30 H new ATOM 0 HB3 GLU A 73 -6.553 10.197 -17.515 1.00 72.30 H new ATOM 0 HG2 GLU A 73 -8.854 9.849 -16.796 1.00 3.14 H new ATOM 0 HG3 GLU A 73 -8.434 10.203 -15.132 1.00 3.14 H new ATOM 989 N GLU A 74 -4.760 8.255 -17.794 1.00 13.33 N ATOM 990 CA GLU A 74 -4.184 7.598 -18.961 1.00 53.20 C ATOM 991 C GLU A 74 -3.888 6.130 -18.668 1.00 52.11 C ATOM 992 O GLU A 74 -4.011 5.275 -19.544 1.00 64.51 O ATOM 993 CB GLU A 74 -2.902 8.312 -19.395 1.00 32.32 C ATOM 994 CG GLU A 74 -2.801 8.523 -20.896 1.00 71.41 C ATOM 995 CD GLU A 74 -3.316 9.881 -21.330 1.00 74.04 C ATOM 996 OE1 GLU A 74 -2.814 10.409 -22.345 1.00 23.14 O ATOM 997 OE2 GLU A 74 -4.221 10.416 -20.657 1.00 14.02 O ATOM 0 H GLU A 74 -4.205 9.029 -17.429 1.00 13.33 H new ATOM 0 HA GLU A 74 -4.912 7.649 -19.771 1.00 53.20 H new ATOM 0 HB2 GLU A 74 -2.849 9.280 -18.896 1.00 32.32 H new ATOM 0 HB3 GLU A 74 -2.042 7.732 -19.059 1.00 32.32 H new ATOM 0 HG2 GLU A 74 -1.761 8.417 -21.205 1.00 71.41 H new ATOM 0 HG3 GLU A 74 -3.366 7.744 -21.407 1.00 71.41 H new ATOM 1004 N ALA A 75 -3.497 5.847 -17.430 1.00 13.11 N ATOM 1005 CA ALA A 75 -3.185 4.484 -17.020 1.00 61.53 C ATOM 1006 C ALA A 75 -4.395 3.570 -17.184 1.00 12.33 C ATOM 1007 O ALA A 75 -4.292 2.484 -17.752 1.00 44.14 O ATOM 1008 CB ALA A 75 -2.697 4.464 -15.579 1.00 72.12 C ATOM 0 H ALA A 75 -3.389 6.544 -16.693 1.00 13.11 H new ATOM 0 HA ALA A 75 -2.390 4.110 -17.666 1.00 61.53 H new ATOM 0 HB1 ALA A 75 -2.468 3.439 -15.287 1.00 72.12 H new ATOM 0 HB2 ALA A 75 -1.799 5.076 -15.490 1.00 72.12 H new ATOM 0 HB3 ALA A 75 -3.474 4.862 -14.926 1.00 72.12 H new ATOM 1014 N GLU A 76 -5.541 4.018 -16.681 1.00 12.45 N ATOM 1015 CA GLU A 76 -6.771 3.239 -16.770 1.00 45.42 C ATOM 1016 C GLU A 76 -7.259 3.158 -18.214 1.00 23.43 C ATOM 1017 O GLU A 76 -7.680 2.099 -18.679 1.00 22.25 O ATOM 1018 CB GLU A 76 -7.857 3.856 -15.887 1.00 11.30 C ATOM 1019 CG GLU A 76 -7.870 3.313 -14.468 1.00 63.42 C ATOM 1020 CD GLU A 76 -9.242 2.828 -14.041 1.00 43.32 C ATOM 1021 OE1 GLU A 76 -10.146 3.675 -13.884 1.00 34.23 O ATOM 1022 OE2 GLU A 76 -9.411 1.604 -13.864 1.00 61.23 O ATOM 0 H GLU A 76 -5.644 4.916 -16.208 1.00 12.45 H new ATOM 0 HA GLU A 76 -6.558 2.229 -16.419 1.00 45.42 H new ATOM 0 HB2 GLU A 76 -7.715 4.936 -15.852 1.00 11.30 H new ATOM 0 HB3 GLU A 76 -8.830 3.677 -16.344 1.00 11.30 H new ATOM 0 HG2 GLU A 76 -7.158 2.491 -14.391 1.00 63.42 H new ATOM 0 HG3 GLU A 76 -7.534 4.091 -13.782 1.00 63.42 H new ATOM 1029 N ALA A 77 -7.199 4.284 -18.917 1.00 33.31 N ATOM 1030 CA ALA A 77 -7.633 4.340 -20.307 1.00 75.12 C ATOM 1031 C ALA A 77 -6.928 3.280 -21.146 1.00 20.30 C ATOM 1032 O ALA A 77 -7.564 2.555 -21.911 1.00 70.33 O ATOM 1033 CB ALA A 77 -7.381 5.725 -20.883 1.00 52.43 C ATOM 0 H ALA A 77 -6.854 5.170 -18.547 1.00 33.31 H new ATOM 0 HA ALA A 77 -8.703 4.136 -20.336 1.00 75.12 H new ATOM 0 HB1 ALA A 77 -7.710 5.752 -21.922 1.00 52.43 H new ATOM 0 HB2 ALA A 77 -7.936 6.465 -20.307 1.00 52.43 H new ATOM 0 HB3 ALA A 77 -6.316 5.951 -20.834 1.00 52.43 H new ATOM 1039 N PHE A 78 -5.610 3.195 -20.998 1.00 31.13 N ATOM 1040 CA PHE A 78 -4.818 2.224 -21.743 1.00 62.13 C ATOM 1041 C PHE A 78 -5.072 0.808 -21.233 1.00 44.42 C ATOM 1042 O PHE A 78 -5.178 -0.134 -22.017 1.00 72.30 O ATOM 1043 CB PHE A 78 -3.329 2.558 -21.635 1.00 24.04 C ATOM 1044 CG PHE A 78 -2.865 3.567 -22.646 1.00 12.22 C ATOM 1045 CD1 PHE A 78 -1.949 3.217 -23.624 1.00 63.21 C ATOM 1046 CD2 PHE A 78 -3.346 4.866 -22.618 1.00 3.52 C ATOM 1047 CE1 PHE A 78 -1.520 4.143 -24.557 1.00 15.05 C ATOM 1048 CE2 PHE A 78 -2.922 5.797 -23.548 1.00 25.23 C ATOM 1049 CZ PHE A 78 -2.007 5.435 -24.517 1.00 61.05 C ATOM 0 H PHE A 78 -5.068 3.787 -20.369 1.00 31.13 H new ATOM 0 HA PHE A 78 -5.119 2.273 -22.789 1.00 62.13 H new ATOM 0 HB2 PHE A 78 -3.122 2.937 -20.634 1.00 24.04 H new ATOM 0 HB3 PHE A 78 -2.750 1.642 -21.755 1.00 24.04 H new ATOM 0 HD1 PHE A 78 -1.565 2.208 -23.658 1.00 63.21 H new ATOM 0 HD2 PHE A 78 -4.060 5.155 -21.861 1.00 3.52 H new ATOM 0 HE1 PHE A 78 -0.806 3.857 -25.315 1.00 15.05 H new ATOM 0 HE2 PHE A 78 -3.306 6.806 -23.517 1.00 25.23 H new ATOM 0 HZ PHE A 78 -1.673 6.161 -25.243 1.00 61.05 H new ATOM 1059 N GLN A 79 -5.166 0.669 -19.915 1.00 14.01 N ATOM 1060 CA GLN A 79 -5.406 -0.631 -19.300 1.00 32.20 C ATOM 1061 C GLN A 79 -6.630 -1.305 -19.911 1.00 53.02 C ATOM 1062 O GLN A 79 -6.578 -2.469 -20.310 1.00 2.25 O ATOM 1063 CB GLN A 79 -5.595 -0.478 -17.790 1.00 3.33 C ATOM 1064 CG GLN A 79 -4.530 -1.187 -16.969 1.00 34.45 C ATOM 1065 CD GLN A 79 -4.477 -0.698 -15.535 1.00 3.02 C ATOM 1066 OE1 GLN A 79 -3.407 -0.376 -15.016 1.00 73.02 O ATOM 1067 NE2 GLN A 79 -5.633 -0.639 -14.885 1.00 74.13 N ATOM 0 H GLN A 79 -5.080 1.440 -19.253 1.00 14.01 H new ATOM 0 HA GLN A 79 -4.535 -1.259 -19.488 1.00 32.20 H new ATOM 0 HB2 GLN A 79 -5.591 0.582 -17.537 1.00 3.33 H new ATOM 0 HB3 GLN A 79 -6.575 -0.868 -17.513 1.00 3.33 H new ATOM 0 HG2 GLN A 79 -4.725 -2.259 -16.976 1.00 34.45 H new ATOM 0 HG3 GLN A 79 -3.557 -1.037 -17.436 1.00 34.45 H new ATOM 0 HE21 GLN A 79 -6.496 -0.915 -15.353 1.00 74.13 H new ATOM 0 HE22 GLN A 79 -5.658 -0.317 -13.917 1.00 74.13 H new ATOM 1076 N LYS A 80 -7.732 -0.566 -19.982 1.00 74.23 N ATOM 1077 CA LYS A 80 -8.971 -1.091 -20.546 1.00 3.23 C ATOM 1078 C LYS A 80 -8.768 -1.526 -21.994 1.00 12.14 C ATOM 1079 O LYS A 80 -8.820 -2.715 -22.307 1.00 52.22 O ATOM 1080 CB LYS A 80 -10.077 -0.036 -20.469 1.00 30.31 C ATOM 1081 CG LYS A 80 -11.441 -0.554 -20.891 1.00 51.13 C ATOM 1082 CD LYS A 80 -12.402 0.585 -21.190 1.00 64.02 C ATOM 1083 CE LYS A 80 -12.768 0.633 -22.666 1.00 23.52 C ATOM 1084 NZ LYS A 80 -14.173 1.079 -22.874 1.00 41.04 N ATOM 0 H LYS A 80 -7.793 0.399 -19.656 1.00 74.23 H new ATOM 0 HA LYS A 80 -9.267 -1.962 -19.962 1.00 3.23 H new ATOM 0 HB2 LYS A 80 -10.140 0.339 -19.447 1.00 30.31 H new ATOM 0 HB3 LYS A 80 -9.807 0.809 -21.102 1.00 30.31 H new ATOM 0 HG2 LYS A 80 -11.335 -1.183 -21.775 1.00 51.13 H new ATOM 0 HG3 LYS A 80 -11.853 -1.181 -20.101 1.00 51.13 H new ATOM 0 HD2 LYS A 80 -13.306 0.465 -20.594 1.00 64.02 H new ATOM 0 HD3 LYS A 80 -11.949 1.532 -20.895 1.00 64.02 H new ATOM 0 HE2 LYS A 80 -12.091 1.311 -23.186 1.00 23.52 H new ATOM 0 HE3 LYS A 80 -12.631 -0.355 -23.106 1.00 23.52 H new ATOM 0 HZ1 LYS A 80 -14.384 1.099 -23.892 1.00 41.04 H new ATOM 0 HZ2 LYS A 80 -14.821 0.419 -22.399 1.00 41.04 H new ATOM 0 HZ3 LYS A 80 -14.297 2.032 -22.476 1.00 41.04 H new ATOM 1098 N ALA A 81 -8.536 -0.555 -22.871 1.00 60.54 N ATOM 1099 CA ALA A 81 -8.322 -0.839 -24.285 1.00 31.20 C ATOM 1100 C ALA A 81 -7.002 -0.249 -24.770 1.00 15.31 C ATOM 1101 O ALA A 81 -6.434 0.653 -24.154 1.00 14.05 O ATOM 1102 CB ALA A 81 -9.480 -0.300 -25.112 1.00 64.15 C ATOM 0 H ALA A 81 -8.491 0.435 -22.628 1.00 60.54 H new ATOM 0 HA ALA A 81 -8.273 -1.921 -24.410 1.00 31.20 H new ATOM 0 HB1 ALA A 81 -9.307 -0.519 -26.166 1.00 64.15 H new ATOM 0 HB2 ALA A 81 -10.408 -0.773 -24.790 1.00 64.15 H new ATOM 0 HB3 ALA A 81 -9.555 0.778 -24.973 1.00 64.15 H new ATOM 1108 N PRO A 82 -6.501 -0.768 -25.900 1.00 41.24 N ATOM 1109 CA PRO A 82 -5.242 -0.307 -26.493 1.00 2.42 C ATOM 1110 C PRO A 82 -5.355 1.099 -27.073 1.00 4.24 C ATOM 1111 O PRO A 82 -6.446 1.647 -27.227 1.00 12.32 O ATOM 1112 CB PRO A 82 -4.979 -1.325 -27.605 1.00 55.45 C ATOM 1113 CG PRO A 82 -6.327 -1.851 -27.962 1.00 65.51 C ATOM 1114 CD PRO A 82 -7.125 -1.845 -26.688 1.00 4.33 C ATOM 0 HA PRO A 82 -4.442 -0.246 -25.755 1.00 2.42 H new ATOM 0 HB2 PRO A 82 -4.496 -0.858 -28.463 1.00 55.45 H new ATOM 0 HB3 PRO A 82 -4.320 -2.123 -27.264 1.00 55.45 H new ATOM 0 HG2 PRO A 82 -6.800 -1.229 -28.722 1.00 65.51 H new ATOM 0 HG3 PRO A 82 -6.257 -2.858 -28.373 1.00 65.51 H new ATOM 0 HD2 PRO A 82 -8.180 -1.646 -26.876 1.00 4.33 H new ATOM 0 HD3 PRO A 82 -7.068 -2.804 -26.174 1.00 4.33 H new ATOM 1122 N PRO A 83 -4.201 1.698 -27.403 1.00 1.43 N ATOM 1123 CA PRO A 83 -4.144 3.048 -27.972 1.00 15.11 C ATOM 1124 C PRO A 83 -4.692 3.101 -29.394 1.00 72.20 C ATOM 1125 O PRO A 83 -5.291 4.096 -29.802 1.00 24.20 O ATOM 1126 CB PRO A 83 -2.649 3.375 -27.962 1.00 70.24 C ATOM 1127 CG PRO A 83 -1.971 2.049 -28.004 1.00 73.20 C ATOM 1128 CD PRO A 83 -2.863 1.104 -27.246 1.00 43.22 C ATOM 0 HA PRO A 83 -4.752 3.754 -27.407 1.00 15.11 H new ATOM 0 HB2 PRO A 83 -2.372 3.989 -28.819 1.00 70.24 H new ATOM 0 HB3 PRO A 83 -2.372 3.933 -27.068 1.00 70.24 H new ATOM 0 HG2 PRO A 83 -1.832 1.714 -29.032 1.00 73.20 H new ATOM 0 HG3 PRO A 83 -0.982 2.102 -27.549 1.00 73.20 H new ATOM 0 HD2 PRO A 83 -2.821 0.095 -27.656 1.00 43.22 H new ATOM 0 HD3 PRO A 83 -2.575 1.034 -26.197 1.00 43.22 H new ATOM 1136 N MET A 84 -4.484 2.024 -30.144 1.00 22.52 N ATOM 1137 CA MET A 84 -4.959 1.948 -31.520 1.00 61.55 C ATOM 1138 C MET A 84 -4.295 3.015 -32.384 1.00 52.24 C ATOM 1139 O MET A 84 -4.760 4.154 -32.448 1.00 31.54 O ATOM 1140 CB MET A 84 -6.479 2.110 -31.567 1.00 75.55 C ATOM 1141 CG MET A 84 -7.208 0.867 -32.052 1.00 33.42 C ATOM 1142 SD MET A 84 -8.180 1.167 -33.541 1.00 25.00 S ATOM 1143 CE MET A 84 -8.578 -0.510 -34.029 1.00 14.41 C ATOM 0 H MET A 84 -3.990 1.192 -29.822 1.00 22.52 H new ATOM 0 HA MET A 84 -4.693 0.968 -31.916 1.00 61.55 H new ATOM 0 HB2 MET A 84 -6.840 2.367 -30.571 1.00 75.55 H new ATOM 0 HB3 MET A 84 -6.727 2.945 -32.222 1.00 75.55 H new ATOM 0 HG2 MET A 84 -6.482 0.079 -32.250 1.00 33.42 H new ATOM 0 HG3 MET A 84 -7.865 0.504 -31.261 1.00 33.42 H new ATOM 0 HE1 MET A 84 -9.179 -0.491 -34.938 1.00 14.41 H new ATOM 0 HE2 MET A 84 -7.657 -1.063 -34.214 1.00 14.41 H new ATOM 0 HE3 MET A 84 -9.140 -0.997 -33.232 1.00 14.41 H new ATOM 1153 N TYR A 85 -3.207 2.641 -33.047 1.00 62.24 N ATOM 1154 CA TYR A 85 -2.478 3.567 -33.905 1.00 41.43 C ATOM 1155 C TYR A 85 -2.453 3.070 -35.347 1.00 71.04 C ATOM 1156 O TYR A 85 -2.052 1.938 -35.619 1.00 4.23 O ATOM 1157 CB TYR A 85 -1.049 3.752 -33.393 1.00 45.53 C ATOM 1158 CG TYR A 85 -0.613 5.199 -33.322 1.00 72.32 C ATOM 1159 CD1 TYR A 85 0.022 5.699 -32.192 1.00 30.41 C ATOM 1160 CD2 TYR A 85 -0.838 6.066 -34.384 1.00 61.55 C ATOM 1161 CE1 TYR A 85 0.421 7.019 -32.122 1.00 51.41 C ATOM 1162 CE2 TYR A 85 -0.441 7.387 -34.324 1.00 12.30 C ATOM 1163 CZ TYR A 85 0.188 7.860 -33.191 1.00 34.42 C ATOM 1164 OH TYR A 85 0.583 9.176 -33.126 1.00 40.01 O ATOM 0 H TYR A 85 -2.810 1.702 -33.007 1.00 62.24 H new ATOM 0 HA TYR A 85 -2.993 4.527 -33.880 1.00 41.43 H new ATOM 0 HB2 TYR A 85 -0.967 3.308 -32.401 1.00 45.53 H new ATOM 0 HB3 TYR A 85 -0.365 3.207 -34.044 1.00 45.53 H new ATOM 0 HD1 TYR A 85 0.207 5.044 -31.354 1.00 30.41 H new ATOM 0 HD2 TYR A 85 -1.332 5.700 -35.272 1.00 61.55 H new ATOM 0 HE1 TYR A 85 0.913 7.391 -31.235 1.00 51.41 H new ATOM 0 HE2 TYR A 85 -0.622 8.047 -35.160 1.00 12.30 H new ATOM 0 HH TYR A 85 0.346 9.630 -33.961 1.00 40.01 H new ATOM 1174 N ASP A 86 -2.885 3.925 -36.268 1.00 64.54 N ATOM 1175 CA ASP A 86 -2.911 3.574 -37.684 1.00 10.42 C ATOM 1176 C ASP A 86 -1.542 3.086 -38.148 1.00 54.55 C ATOM 1177 O ASP A 86 -1.437 2.084 -38.856 1.00 1.42 O ATOM 1178 CB ASP A 86 -3.348 4.778 -38.521 1.00 35.44 C ATOM 1179 CG ASP A 86 -4.741 4.607 -39.095 1.00 40.54 C ATOM 1180 OD1 ASP A 86 -5.689 5.201 -38.540 1.00 12.22 O ATOM 1181 OD2 ASP A 86 -4.883 3.881 -40.101 1.00 44.42 O ATOM 0 H ASP A 86 -3.222 4.865 -36.060 1.00 64.54 H new ATOM 0 HA ASP A 86 -3.630 2.766 -37.820 1.00 10.42 H new ATOM 0 HB2 ASP A 86 -3.320 5.676 -37.904 1.00 35.44 H new ATOM 0 HB3 ASP A 86 -2.638 4.928 -39.335 1.00 35.44 H new ATOM 1186 N ASP A 87 -0.497 3.802 -37.747 1.00 75.11 N ATOM 1187 CA ASP A 87 0.865 3.442 -38.122 1.00 40.03 C ATOM 1188 C ASP A 87 1.154 1.982 -37.786 1.00 12.41 C ATOM 1189 O ASP A 87 1.420 1.171 -38.673 1.00 23.05 O ATOM 1190 CB ASP A 87 1.869 4.350 -37.411 1.00 43.53 C ATOM 1191 CG ASP A 87 2.320 5.507 -38.281 1.00 42.41 C ATOM 1192 OD1 ASP A 87 2.290 6.659 -37.799 1.00 43.42 O ATOM 1193 OD2 ASP A 87 2.704 5.261 -39.443 1.00 71.15 O ATOM 0 H ASP A 87 -0.567 4.635 -37.162 1.00 75.11 H new ATOM 0 HA ASP A 87 0.966 3.575 -39.199 1.00 40.03 H new ATOM 0 HB2 ASP A 87 1.419 4.740 -36.498 1.00 43.53 H new ATOM 0 HB3 ASP A 87 2.738 3.763 -37.113 1.00 43.53 H new ATOM 1198 N VAL A 88 1.100 1.655 -36.499 1.00 0.24 N ATOM 1199 CA VAL A 88 1.356 0.293 -36.045 1.00 13.44 C ATOM 1200 C VAL A 88 0.268 -0.180 -35.087 1.00 72.02 C ATOM 1201 O VAL A 88 -0.054 0.500 -34.113 1.00 42.13 O ATOM 1202 CB VAL A 88 2.723 0.182 -35.345 1.00 45.52 C ATOM 1203 CG1 VAL A 88 3.007 -1.259 -34.951 1.00 74.23 C ATOM 1204 CG2 VAL A 88 3.826 0.725 -36.242 1.00 73.15 C ATOM 0 H VAL A 88 0.881 2.314 -35.752 1.00 0.24 H new ATOM 0 HA VAL A 88 1.357 -0.341 -36.932 1.00 13.44 H new ATOM 0 HB VAL A 88 2.695 0.783 -34.436 1.00 45.52 H new ATOM 0 HG11 VAL A 88 3.977 -1.317 -34.458 1.00 74.23 H new ATOM 0 HG12 VAL A 88 2.232 -1.609 -34.269 1.00 74.23 H new ATOM 0 HG13 VAL A 88 3.016 -1.885 -35.843 1.00 74.23 H new ATOM 0 HG21 VAL A 88 4.785 0.639 -35.732 1.00 73.15 H new ATOM 0 HG22 VAL A 88 3.856 0.153 -37.169 1.00 73.15 H new ATOM 0 HG23 VAL A 88 3.628 1.773 -36.468 1.00 73.15 H new ATOM 1214 N GLN A 89 -0.294 -1.350 -35.371 1.00 75.33 N ATOM 1215 CA GLN A 89 -1.347 -1.915 -34.535 1.00 10.32 C ATOM 1216 C GLN A 89 -0.819 -2.239 -33.141 1.00 74.41 C ATOM 1217 O GLN A 89 0.120 -3.021 -32.988 1.00 42.00 O ATOM 1218 CB GLN A 89 -1.921 -3.176 -35.182 1.00 71.04 C ATOM 1219 CG GLN A 89 -3.374 -3.035 -35.607 1.00 1.32 C ATOM 1220 CD GLN A 89 -3.886 -4.253 -36.349 1.00 72.22 C ATOM 1221 OE1 GLN A 89 -4.694 -5.020 -35.824 1.00 54.25 O ATOM 1222 NE2 GLN A 89 -3.418 -4.438 -37.578 1.00 23.42 N ATOM 0 H GLN A 89 -0.038 -1.925 -36.173 1.00 75.33 H new ATOM 0 HA GLN A 89 -2.139 -1.172 -34.441 1.00 10.32 H new ATOM 0 HB2 GLN A 89 -1.319 -3.433 -36.054 1.00 71.04 H new ATOM 0 HB3 GLN A 89 -1.835 -4.006 -34.480 1.00 71.04 H new ATOM 0 HG2 GLN A 89 -3.992 -2.865 -34.725 1.00 1.32 H new ATOM 0 HG3 GLN A 89 -3.479 -2.156 -36.243 1.00 1.32 H new ATOM 0 HE21 GLN A 89 -2.749 -3.777 -37.974 1.00 23.42 H new ATOM 0 HE22 GLN A 89 -3.727 -5.241 -38.126 1.00 23.42 H new ATOM 1231 N LEU A 90 -1.429 -1.635 -32.128 1.00 11.34 N ATOM 1232 CA LEU A 90 -1.021 -1.859 -30.745 1.00 63.12 C ATOM 1233 C LEU A 90 -1.967 -2.832 -30.049 1.00 12.42 C ATOM 1234 O LEU A 90 -3.187 -2.736 -30.189 1.00 30.32 O ATOM 1235 CB LEU A 90 -0.981 -0.534 -29.983 1.00 13.33 C ATOM 1236 CG LEU A 90 0.395 -0.081 -29.494 1.00 41.13 C ATOM 1237 CD1 LEU A 90 1.030 -1.151 -28.620 1.00 62.45 C ATOM 1238 CD2 LEU A 90 1.297 0.251 -30.674 1.00 51.41 C ATOM 0 H LEU A 90 -2.208 -0.986 -32.238 1.00 11.34 H new ATOM 0 HA LEU A 90 -0.022 -2.296 -30.753 1.00 63.12 H new ATOM 0 HB2 LEU A 90 -1.390 0.245 -30.627 1.00 13.33 H new ATOM 0 HB3 LEU A 90 -1.642 -0.614 -29.120 1.00 13.33 H new ATOM 0 HG LEU A 90 0.268 0.820 -28.894 1.00 41.13 H new ATOM 0 HD11 LEU A 90 2.009 -0.811 -28.281 1.00 62.45 H new ATOM 0 HD12 LEU A 90 0.393 -1.341 -27.756 1.00 62.45 H new ATOM 0 HD13 LEU A 90 1.144 -2.070 -29.195 1.00 62.45 H new ATOM 0 HD21 LEU A 90 2.272 0.572 -30.308 1.00 51.41 H new ATOM 0 HD22 LEU A 90 1.417 -0.633 -31.300 1.00 51.41 H new ATOM 0 HD23 LEU A 90 0.848 1.053 -31.261 1.00 51.41 H new ATOM 1250 N THR A 91 -1.397 -3.767 -29.295 1.00 73.14 N ATOM 1251 CA THR A 91 -2.189 -4.756 -28.576 1.00 35.51 C ATOM 1252 C THR A 91 -1.812 -4.795 -27.100 1.00 22.24 C ATOM 1253 O THR A 91 -0.787 -5.364 -26.726 1.00 65.02 O ATOM 1254 CB THR A 91 -2.011 -6.164 -29.177 1.00 13.43 C ATOM 1255 OG1 THR A 91 -1.981 -6.086 -30.606 1.00 53.32 O ATOM 1256 CG2 THR A 91 -3.138 -7.086 -28.738 1.00 33.24 C ATOM 0 H THR A 91 -0.389 -3.860 -29.167 1.00 73.14 H new ATOM 0 HA THR A 91 -3.232 -4.456 -28.674 1.00 35.51 H new ATOM 0 HB THR A 91 -1.067 -6.573 -28.816 1.00 13.43 H new ATOM 0 HG1 THR A 91 -1.866 -6.984 -30.980 1.00 53.32 H new ATOM 0 HG21 THR A 91 -2.991 -8.074 -29.175 1.00 33.24 H new ATOM 0 HG22 THR A 91 -3.140 -7.166 -27.651 1.00 33.24 H new ATOM 0 HG23 THR A 91 -4.092 -6.680 -29.073 1.00 33.24 H new ATOM 1264 N ALA A 92 -2.647 -4.187 -26.264 1.00 32.02 N ATOM 1265 CA ALA A 92 -2.402 -4.155 -24.827 1.00 42.33 C ATOM 1266 C ALA A 92 -3.421 -5.006 -24.077 1.00 41.50 C ATOM 1267 O ALA A 92 -4.590 -5.065 -24.455 1.00 35.34 O ATOM 1268 CB ALA A 92 -2.432 -2.721 -24.319 1.00 2.01 C ATOM 0 H ALA A 92 -3.499 -3.710 -26.557 1.00 32.02 H new ATOM 0 HA ALA A 92 -1.413 -4.574 -24.642 1.00 42.33 H new ATOM 0 HB1 ALA A 92 -2.248 -2.712 -23.245 1.00 2.01 H new ATOM 0 HB2 ALA A 92 -1.661 -2.140 -24.825 1.00 2.01 H new ATOM 0 HB3 ALA A 92 -3.409 -2.283 -24.523 1.00 2.01 H new ATOM 1274 N GLU A 93 -2.968 -5.662 -23.013 1.00 73.24 N ATOM 1275 CA GLU A 93 -3.842 -6.511 -22.212 1.00 20.02 C ATOM 1276 C GLU A 93 -3.993 -5.956 -20.799 1.00 2.35 C ATOM 1277 O GLU A 93 -3.255 -5.059 -20.391 1.00 23.54 O ATOM 1278 CB GLU A 93 -3.292 -7.938 -22.155 1.00 1.30 C ATOM 1279 CG GLU A 93 -3.868 -8.855 -23.220 1.00 74.21 C ATOM 1280 CD GLU A 93 -5.226 -9.413 -22.837 1.00 44.13 C ATOM 1281 OE1 GLU A 93 -5.269 -10.506 -22.235 1.00 25.13 O ATOM 1282 OE2 GLU A 93 -6.244 -8.757 -23.140 1.00 71.22 O ATOM 0 H GLU A 93 -2.003 -5.622 -22.686 1.00 73.24 H new ATOM 0 HA GLU A 93 -4.824 -6.527 -22.685 1.00 20.02 H new ATOM 0 HB2 GLU A 93 -2.208 -7.905 -22.263 1.00 1.30 H new ATOM 0 HB3 GLU A 93 -3.501 -8.360 -21.172 1.00 1.30 H new ATOM 0 HG2 GLU A 93 -3.956 -8.306 -24.158 1.00 74.21 H new ATOM 0 HG3 GLU A 93 -3.177 -9.679 -23.397 1.00 74.21 H new ATOM 1289 N MET A 94 -4.955 -6.495 -20.057 1.00 10.41 N ATOM 1290 CA MET A 94 -5.203 -6.054 -18.689 1.00 42.31 C ATOM 1291 C MET A 94 -4.654 -7.062 -17.685 1.00 31.40 C ATOM 1292 O MET A 94 -4.553 -8.254 -17.978 1.00 50.12 O ATOM 1293 CB MET A 94 -6.702 -5.851 -18.459 1.00 63.53 C ATOM 1294 CG MET A 94 -7.024 -4.683 -17.541 1.00 63.44 C ATOM 1295 SD MET A 94 -8.736 -4.696 -16.975 1.00 65.23 S ATOM 1296 CE MET A 94 -8.627 -3.625 -15.544 1.00 23.22 C ATOM 0 H MET A 94 -5.575 -7.238 -20.380 1.00 10.41 H new ATOM 0 HA MET A 94 -4.689 -5.104 -18.541 1.00 42.31 H new ATOM 0 HB2 MET A 94 -7.190 -5.692 -19.420 1.00 63.53 H new ATOM 0 HB3 MET A 94 -7.123 -6.763 -18.035 1.00 63.53 H new ATOM 0 HG2 MET A 94 -6.360 -4.711 -16.677 1.00 63.44 H new ATOM 0 HG3 MET A 94 -6.826 -3.748 -18.066 1.00 63.44 H new ATOM 0 HE1 MET A 94 -9.610 -3.533 -15.083 1.00 23.22 H new ATOM 0 HE2 MET A 94 -7.927 -4.049 -14.824 1.00 23.22 H new ATOM 0 HE3 MET A 94 -8.278 -2.640 -15.853 1.00 23.22 H new ATOM 1306 N LYS A 95 -4.300 -6.578 -16.499 1.00 54.24 N ATOM 1307 CA LYS A 95 -3.763 -7.436 -15.451 1.00 23.42 C ATOM 1308 C LYS A 95 -4.759 -8.530 -15.079 1.00 62.10 C ATOM 1309 O LYS A 95 -4.374 -9.667 -14.801 1.00 13.55 O ATOM 1310 CB LYS A 95 -3.414 -6.607 -14.213 1.00 31.02 C ATOM 1311 CG LYS A 95 -4.585 -5.808 -13.667 1.00 5.50 C ATOM 1312 CD LYS A 95 -4.163 -4.925 -12.504 1.00 50.12 C ATOM 1313 CE LYS A 95 -5.119 -3.757 -12.315 1.00 74.43 C ATOM 1314 NZ LYS A 95 -5.308 -3.422 -10.877 1.00 2.22 N ATOM 0 H LYS A 95 -4.376 -5.594 -16.240 1.00 54.24 H new ATOM 0 HA LYS A 95 -2.857 -7.908 -15.832 1.00 23.42 H new ATOM 0 HB2 LYS A 95 -3.044 -7.272 -13.433 1.00 31.02 H new ATOM 0 HB3 LYS A 95 -2.602 -5.923 -14.461 1.00 31.02 H new ATOM 0 HG2 LYS A 95 -5.007 -5.190 -14.460 1.00 5.50 H new ATOM 0 HG3 LYS A 95 -5.371 -6.489 -13.341 1.00 5.50 H new ATOM 0 HD2 LYS A 95 -4.126 -5.518 -11.590 1.00 50.12 H new ATOM 0 HD3 LYS A 95 -3.156 -4.547 -12.679 1.00 50.12 H new ATOM 0 HE2 LYS A 95 -4.735 -2.884 -12.844 1.00 74.43 H new ATOM 0 HE3 LYS A 95 -6.083 -4.001 -12.761 1.00 74.43 H new ATOM 0 HZ1 LYS A 95 -5.966 -2.621 -10.791 1.00 2.22 H new ATOM 0 HZ2 LYS A 95 -5.698 -4.246 -10.377 1.00 2.22 H new ATOM 0 HZ3 LYS A 95 -4.392 -3.164 -10.457 1.00 2.22 H new ATOM 1328 N THR A 96 -6.042 -8.181 -15.078 1.00 5.33 N ATOM 1329 CA THR A 96 -7.093 -9.132 -14.741 1.00 24.43 C ATOM 1330 C THR A 96 -7.090 -10.317 -15.700 1.00 52.24 C ATOM 1331 O THR A 96 -7.154 -11.472 -15.278 1.00 53.05 O ATOM 1332 CB THR A 96 -8.482 -8.468 -14.767 1.00 1.30 C ATOM 1333 OG1 THR A 96 -8.440 -7.218 -14.070 1.00 11.42 O ATOM 1334 CG2 THR A 96 -9.527 -9.373 -14.133 1.00 30.11 C ATOM 0 H THR A 96 -6.378 -7.246 -15.307 1.00 5.33 H new ATOM 0 HA THR A 96 -6.887 -9.485 -13.731 1.00 24.43 H new ATOM 0 HB THR A 96 -8.758 -8.295 -15.807 1.00 1.30 H new ATOM 0 HG1 THR A 96 -9.327 -6.801 -14.092 1.00 11.42 H new ATOM 0 HG21 THR A 96 -10.500 -8.882 -14.163 1.00 30.11 H new ATOM 0 HG22 THR A 96 -9.577 -10.312 -14.684 1.00 30.11 H new ATOM 0 HG23 THR A 96 -9.254 -9.574 -13.097 1.00 30.11 H new ATOM 1342 N THR A 97 -7.015 -10.024 -16.995 1.00 52.50 N ATOM 1343 CA THR A 97 -7.005 -11.064 -18.015 1.00 61.31 C ATOM 1344 C THR A 97 -5.903 -12.084 -17.749 1.00 52.23 C ATOM 1345 O THR A 97 -6.168 -13.280 -17.624 1.00 42.22 O ATOM 1346 CB THR A 97 -6.810 -10.470 -19.423 1.00 4.45 C ATOM 1347 OG1 THR A 97 -7.353 -9.146 -19.475 1.00 4.44 O ATOM 1348 CG2 THR A 97 -7.480 -11.340 -20.475 1.00 44.33 C ATOM 0 H THR A 97 -6.960 -9.074 -17.362 1.00 52.50 H new ATOM 0 HA THR A 97 -7.975 -11.560 -17.970 1.00 61.31 H new ATOM 0 HB THR A 97 -5.741 -10.433 -19.633 1.00 4.45 H new ATOM 0 HG1 THR A 97 -6.652 -8.496 -19.258 1.00 4.44 H new ATOM 0 HG21 THR A 97 -7.329 -10.900 -21.461 1.00 44.33 H new ATOM 0 HG22 THR A 97 -7.044 -12.339 -20.452 1.00 44.33 H new ATOM 0 HG23 THR A 97 -8.548 -11.405 -20.267 1.00 44.33 H new ATOM 1356 N TYR A 98 -4.668 -11.604 -17.663 1.00 43.33 N ATOM 1357 CA TYR A 98 -3.525 -12.474 -17.414 1.00 30.33 C ATOM 1358 C TYR A 98 -3.722 -13.278 -16.132 1.00 1.53 C ATOM 1359 O TYR A 98 -3.487 -14.486 -16.100 1.00 25.23 O ATOM 1360 CB TYR A 98 -2.240 -11.650 -17.320 1.00 0.10 C ATOM 1361 CG TYR A 98 -1.235 -11.970 -18.404 1.00 11.35 C ATOM 1362 CD1 TYR A 98 -0.640 -13.223 -18.478 1.00 24.02 C ATOM 1363 CD2 TYR A 98 -0.880 -11.019 -19.352 1.00 52.32 C ATOM 1364 CE1 TYR A 98 0.280 -13.520 -19.466 1.00 14.34 C ATOM 1365 CE2 TYR A 98 0.037 -11.307 -20.344 1.00 72.02 C ATOM 1366 CZ TYR A 98 0.614 -12.559 -20.397 1.00 1.44 C ATOM 1367 OH TYR A 98 1.529 -12.849 -21.382 1.00 61.25 O ATOM 0 H TYR A 98 -4.432 -10.617 -17.762 1.00 43.33 H new ATOM 0 HA TYR A 98 -3.442 -13.170 -18.249 1.00 30.33 H new ATOM 0 HB2 TYR A 98 -2.493 -10.591 -17.372 1.00 0.10 H new ATOM 0 HB3 TYR A 98 -1.779 -11.821 -16.347 1.00 0.10 H new ATOM 0 HD1 TYR A 98 -0.901 -13.978 -17.751 1.00 24.02 H new ATOM 0 HD2 TYR A 98 -1.329 -10.037 -19.313 1.00 52.32 H new ATOM 0 HE1 TYR A 98 0.735 -14.499 -19.509 1.00 14.34 H new ATOM 0 HE2 TYR A 98 0.301 -10.556 -21.074 1.00 72.02 H new ATOM 0 HH TYR A 98 1.651 -12.064 -21.956 1.00 61.25 H new ATOM 1377 N LEU A 99 -4.156 -12.597 -15.076 1.00 63.52 N ATOM 1378 CA LEU A 99 -4.386 -13.246 -13.790 1.00 21.11 C ATOM 1379 C LEU A 99 -5.299 -14.458 -13.947 1.00 13.32 C ATOM 1380 O LEU A 99 -5.037 -15.521 -13.385 1.00 50.25 O ATOM 1381 CB LEU A 99 -5.000 -12.255 -12.799 1.00 62.24 C ATOM 1382 CG LEU A 99 -4.838 -12.599 -11.318 1.00 71.34 C ATOM 1383 CD1 LEU A 99 -4.601 -11.339 -10.500 1.00 61.44 C ATOM 1384 CD2 LEU A 99 -6.062 -13.346 -10.808 1.00 24.52 C ATOM 0 H LEU A 99 -4.355 -11.597 -15.085 1.00 63.52 H new ATOM 0 HA LEU A 99 -3.425 -13.586 -13.405 1.00 21.11 H new ATOM 0 HB2 LEU A 99 -4.557 -11.275 -12.974 1.00 62.24 H new ATOM 0 HB3 LEU A 99 -6.064 -12.167 -13.017 1.00 62.24 H new ATOM 0 HG LEU A 99 -3.969 -13.247 -11.208 1.00 71.34 H new ATOM 0 HD11 LEU A 99 -4.488 -11.604 -9.449 1.00 61.44 H new ATOM 0 HD12 LEU A 99 -3.695 -10.844 -10.849 1.00 61.44 H new ATOM 0 HD13 LEU A 99 -5.450 -10.665 -10.615 1.00 61.44 H new ATOM 0 HD21 LEU A 99 -5.930 -13.583 -9.752 1.00 24.52 H new ATOM 0 HD22 LEU A 99 -6.947 -12.722 -10.932 1.00 24.52 H new ATOM 0 HD23 LEU A 99 -6.187 -14.269 -11.374 1.00 24.52 H new ATOM 1396 N GLU A 100 -6.371 -14.289 -14.715 1.00 61.02 N ATOM 1397 CA GLU A 100 -7.322 -15.370 -14.947 1.00 1.04 C ATOM 1398 C GLU A 100 -6.689 -16.483 -15.777 1.00 21.24 C ATOM 1399 O GLU A 100 -6.926 -17.666 -15.532 1.00 33.13 O ATOM 1400 CB GLU A 100 -8.570 -14.838 -15.654 1.00 71.30 C ATOM 1401 CG GLU A 100 -9.831 -15.623 -15.335 1.00 73.54 C ATOM 1402 CD GLU A 100 -10.826 -15.619 -16.480 1.00 30.12 C ATOM 1403 OE1 GLU A 100 -12.004 -15.281 -16.240 1.00 32.34 O ATOM 1404 OE2 GLU A 100 -10.427 -15.953 -17.615 1.00 30.42 O ATOM 0 H GLU A 100 -6.602 -13.415 -15.187 1.00 61.02 H new ATOM 0 HA GLU A 100 -7.609 -15.781 -13.979 1.00 1.04 H new ATOM 0 HB2 GLU A 100 -8.720 -13.796 -15.373 1.00 71.30 H new ATOM 0 HB3 GLU A 100 -8.403 -14.857 -16.731 1.00 71.30 H new ATOM 0 HG2 GLU A 100 -9.563 -16.652 -15.095 1.00 73.54 H new ATOM 0 HG3 GLU A 100 -10.302 -15.201 -14.447 1.00 73.54 H new ATOM 1411 N ARG A 101 -5.883 -16.095 -16.759 1.00 62.14 N ATOM 1412 CA ARG A 101 -5.217 -17.059 -17.627 1.00 22.10 C ATOM 1413 C ARG A 101 -4.344 -18.011 -16.814 1.00 14.35 C ATOM 1414 O ARG A 101 -4.513 -19.229 -16.872 1.00 14.11 O ATOM 1415 CB ARG A 101 -4.364 -16.335 -18.670 1.00 54.43 C ATOM 1416 CG ARG A 101 -4.843 -16.542 -20.098 1.00 63.01 C ATOM 1417 CD ARG A 101 -5.775 -15.426 -20.541 1.00 13.41 C ATOM 1418 NE ARG A 101 -5.532 -15.026 -21.924 1.00 53.33 N ATOM 1419 CZ ARG A 101 -5.799 -15.799 -22.971 1.00 22.44 C ATOM 1420 NH1 ARG A 101 -6.315 -17.008 -22.792 1.00 2.44 N ATOM 1421 NH2 ARG A 101 -5.550 -15.365 -24.199 1.00 43.24 N ATOM 0 H ARG A 101 -5.675 -15.120 -16.974 1.00 62.14 H new ATOM 0 HA ARG A 101 -5.985 -17.642 -18.136 1.00 22.10 H new ATOM 0 HB2 ARG A 101 -4.361 -15.268 -18.448 1.00 54.43 H new ATOM 0 HB3 ARG A 101 -3.333 -16.680 -18.588 1.00 54.43 H new ATOM 0 HG2 ARG A 101 -3.984 -16.587 -20.768 1.00 63.01 H new ATOM 0 HG3 ARG A 101 -5.358 -17.499 -20.175 1.00 63.01 H new ATOM 0 HD2 ARG A 101 -6.809 -15.754 -20.435 1.00 13.41 H new ATOM 0 HD3 ARG A 101 -5.645 -14.564 -19.886 1.00 13.41 H new ATOM 0 HE ARG A 101 -5.135 -14.102 -22.096 1.00 53.33 H new ATOM 0 HH11 ARG A 101 -6.508 -17.346 -21.849 1.00 2.44 H new ATOM 0 HH12 ARG A 101 -6.519 -17.600 -23.597 1.00 2.44 H new ATOM 0 HH21 ARG A 101 -5.153 -14.436 -24.341 1.00 43.24 H new ATOM 0 HH22 ARG A 101 -5.756 -15.960 -25.002 1.00 43.24 H new ATOM 1435 N LYS A 102 -3.410 -17.447 -16.055 1.00 54.44 N ATOM 1436 CA LYS A 102 -2.511 -18.243 -15.229 1.00 70.10 C ATOM 1437 C LYS A 102 -3.289 -19.020 -14.172 1.00 23.51 C ATOM 1438 O LYS A 102 -3.001 -20.188 -13.910 1.00 53.00 O ATOM 1439 CB LYS A 102 -1.473 -17.343 -14.555 1.00 13.13 C ATOM 1440 CG LYS A 102 -2.084 -16.245 -13.701 1.00 45.31 C ATOM 1441 CD LYS A 102 -1.040 -15.227 -13.272 1.00 21.11 C ATOM 1442 CE LYS A 102 -0.019 -15.841 -12.326 1.00 42.14 C ATOM 1443 NZ LYS A 102 0.835 -14.804 -11.683 1.00 33.12 N ATOM 0 H LYS A 102 -3.256 -16.440 -15.995 1.00 54.44 H new ATOM 0 HA LYS A 102 -1.999 -18.956 -15.876 1.00 70.10 H new ATOM 0 HB2 LYS A 102 -0.822 -17.956 -13.932 1.00 13.13 H new ATOM 0 HB3 LYS A 102 -0.845 -16.889 -15.322 1.00 13.13 H new ATOM 0 HG2 LYS A 102 -2.874 -15.744 -14.261 1.00 45.31 H new ATOM 0 HG3 LYS A 102 -2.549 -16.685 -12.819 1.00 45.31 H new ATOM 0 HD2 LYS A 102 -0.532 -14.833 -14.152 1.00 21.11 H new ATOM 0 HD3 LYS A 102 -1.530 -14.385 -12.783 1.00 21.11 H new ATOM 0 HE2 LYS A 102 -0.536 -16.414 -11.556 1.00 42.14 H new ATOM 0 HE3 LYS A 102 0.611 -16.541 -12.876 1.00 42.14 H new ATOM 0 HZ1 LYS A 102 1.517 -15.262 -11.046 1.00 33.12 H new ATOM 0 HZ2 LYS A 102 1.348 -14.273 -12.416 1.00 33.12 H new ATOM 0 HZ3 LYS A 102 0.237 -14.151 -11.137 1.00 33.12 H new ATOM 1457 N ALA A 103 -4.275 -18.365 -13.569 1.00 34.52 N ATOM 1458 CA ALA A 103 -5.096 -18.997 -12.543 1.00 54.31 C ATOM 1459 C ALA A 103 -5.712 -20.294 -13.055 1.00 34.53 C ATOM 1460 O ALA A 103 -5.728 -21.304 -12.351 1.00 44.13 O ATOM 1461 CB ALA A 103 -6.185 -18.042 -12.077 1.00 0.54 C ATOM 0 H ALA A 103 -4.525 -17.397 -13.773 1.00 34.52 H new ATOM 0 HA ALA A 103 -4.453 -19.240 -11.697 1.00 54.31 H new ATOM 0 HB1 ALA A 103 -6.791 -18.527 -11.311 1.00 0.54 H new ATOM 0 HB2 ALA A 103 -5.728 -17.143 -11.663 1.00 0.54 H new ATOM 0 HB3 ALA A 103 -6.818 -17.771 -12.922 1.00 0.54 H new ATOM 1467 N GLU A 104 -6.220 -20.259 -14.283 1.00 21.50 N ATOM 1468 CA GLU A 104 -6.839 -21.434 -14.887 1.00 4.31 C ATOM 1469 C GLU A 104 -5.783 -22.463 -15.280 1.00 71.14 C ATOM 1470 O GLU A 104 -5.992 -23.667 -15.135 1.00 43.01 O ATOM 1471 CB GLU A 104 -7.657 -21.031 -16.115 1.00 73.33 C ATOM 1472 CG GLU A 104 -8.355 -22.200 -16.791 1.00 14.31 C ATOM 1473 CD GLU A 104 -9.857 -22.184 -16.578 1.00 23.50 C ATOM 1474 OE1 GLU A 104 -10.497 -21.176 -16.943 1.00 61.35 O ATOM 1475 OE2 GLU A 104 -10.391 -23.180 -16.046 1.00 52.31 O ATOM 0 H GLU A 104 -6.215 -19.431 -14.879 1.00 21.50 H new ATOM 0 HA GLU A 104 -7.503 -21.884 -14.149 1.00 4.31 H new ATOM 0 HB2 GLU A 104 -8.404 -20.295 -15.818 1.00 73.33 H new ATOM 0 HB3 GLU A 104 -6.999 -20.545 -16.836 1.00 73.33 H new ATOM 0 HG2 GLU A 104 -8.143 -22.176 -17.860 1.00 14.31 H new ATOM 0 HG3 GLU A 104 -7.947 -23.134 -16.406 1.00 14.31 H new ATOM 1482 N GLU A 105 -4.650 -21.979 -15.780 1.00 31.12 N ATOM 1483 CA GLU A 105 -3.563 -22.857 -16.196 1.00 22.23 C ATOM 1484 C GLU A 105 -3.112 -23.749 -15.042 1.00 51.13 C ATOM 1485 O GLU A 105 -3.176 -24.975 -15.131 1.00 20.52 O ATOM 1486 CB GLU A 105 -2.380 -22.033 -16.710 1.00 34.22 C ATOM 1487 CG GLU A 105 -1.155 -22.868 -17.042 1.00 31.33 C ATOM 1488 CD GLU A 105 -0.253 -22.201 -18.062 1.00 11.13 C ATOM 1489 OE1 GLU A 105 0.012 -20.989 -17.916 1.00 31.25 O ATOM 1490 OE2 GLU A 105 0.187 -22.889 -19.006 1.00 22.53 O ATOM 0 H GLU A 105 -4.461 -20.985 -15.907 1.00 31.12 H new ATOM 0 HA GLU A 105 -3.932 -23.492 -17.001 1.00 22.23 H new ATOM 0 HB2 GLU A 105 -2.689 -21.486 -17.601 1.00 34.22 H new ATOM 0 HB3 GLU A 105 -2.111 -21.291 -15.958 1.00 34.22 H new ATOM 0 HG2 GLU A 105 -0.589 -23.055 -16.129 1.00 31.33 H new ATOM 0 HG3 GLU A 105 -1.474 -23.838 -17.424 1.00 31.33 H new ATOM 1497 N ILE A 106 -2.656 -23.124 -13.962 1.00 54.31 N ATOM 1498 CA ILE A 106 -2.196 -23.860 -12.791 1.00 43.24 C ATOM 1499 C ILE A 106 -3.325 -24.682 -12.179 1.00 50.52 C ATOM 1500 O ILE A 106 -3.095 -25.758 -11.630 1.00 33.43 O ATOM 1501 CB ILE A 106 -1.626 -22.912 -11.719 1.00 63.51 C ATOM 1502 CG1 ILE A 106 -1.060 -23.716 -10.546 1.00 54.11 C ATOM 1503 CG2 ILE A 106 -2.700 -21.948 -11.239 1.00 32.30 C ATOM 1504 CD1 ILE A 106 0.063 -24.649 -10.939 1.00 22.42 C ATOM 0 H ILE A 106 -2.595 -22.110 -13.874 1.00 54.31 H new ATOM 0 HA ILE A 106 -1.406 -24.530 -13.130 1.00 43.24 H new ATOM 0 HB ILE A 106 -0.817 -22.331 -12.161 1.00 63.51 H new ATOM 0 HG12 ILE A 106 -0.698 -23.026 -9.784 1.00 54.11 H new ATOM 0 HG13 ILE A 106 -1.863 -24.298 -10.094 1.00 54.11 H new ATOM 0 HG21 ILE A 106 -2.282 -21.285 -10.482 1.00 32.30 H new ATOM 0 HG22 ILE A 106 -3.060 -21.356 -12.081 1.00 32.30 H new ATOM 0 HG23 ILE A 106 -3.529 -22.511 -10.810 1.00 32.30 H new ATOM 0 HD11 ILE A 106 0.415 -25.186 -10.058 1.00 22.42 H new ATOM 0 HD12 ILE A 106 -0.299 -25.363 -11.679 1.00 22.42 H new ATOM 0 HD13 ILE A 106 0.884 -24.071 -11.364 1.00 22.42 H new ATOM 1516 N ALA A 107 -4.546 -24.166 -12.280 1.00 20.42 N ATOM 1517 CA ALA A 107 -5.712 -24.854 -11.740 1.00 31.14 C ATOM 1518 C ALA A 107 -5.941 -26.185 -12.447 1.00 72.24 C ATOM 1519 O ALA A 107 -6.305 -27.179 -11.819 1.00 2.32 O ATOM 1520 CB ALA A 107 -6.946 -23.972 -11.857 1.00 74.33 C ATOM 0 H ALA A 107 -4.753 -23.275 -12.730 1.00 20.42 H new ATOM 0 HA ALA A 107 -5.525 -25.061 -10.686 1.00 31.14 H new ATOM 0 HB1 ALA A 107 -7.809 -24.498 -11.450 1.00 74.33 H new ATOM 0 HB2 ALA A 107 -6.788 -23.049 -11.299 1.00 74.33 H new ATOM 0 HB3 ALA A 107 -7.126 -23.736 -12.906 1.00 74.33 H new ATOM 1526 N ALA A 108 -5.727 -26.197 -13.759 1.00 22.31 N ATOM 1527 CA ALA A 108 -5.909 -27.407 -14.552 1.00 2.14 C ATOM 1528 C ALA A 108 -4.898 -28.479 -14.157 1.00 54.24 C ATOM 1529 O ALA A 108 -5.255 -29.641 -13.960 1.00 41.33 O ATOM 1530 CB ALA A 108 -5.792 -27.088 -16.035 1.00 23.41 C ATOM 0 H ALA A 108 -5.427 -25.383 -14.295 1.00 22.31 H new ATOM 0 HA ALA A 108 -6.908 -27.796 -14.353 1.00 2.14 H new ATOM 0 HB1 ALA A 108 -5.930 -28.000 -16.615 1.00 23.41 H new ATOM 0 HB2 ALA A 108 -6.557 -26.362 -16.312 1.00 23.41 H new ATOM 0 HB3 ALA A 108 -4.806 -26.673 -16.241 1.00 23.41 H new ATOM 1536 N LYS A 109 -3.635 -28.082 -14.045 1.00 14.25 N ATOM 1537 CA LYS A 109 -2.572 -29.008 -13.673 1.00 51.23 C ATOM 1538 C LYS A 109 -2.818 -29.590 -12.285 1.00 62.21 C ATOM 1539 O LYS A 109 -2.791 -30.807 -12.097 1.00 11.40 O ATOM 1540 CB LYS A 109 -1.216 -28.300 -13.708 1.00 42.31 C ATOM 1541 CG LYS A 109 -0.874 -27.706 -15.064 1.00 13.02 C ATOM 1542 CD LYS A 109 -0.408 -28.774 -16.039 1.00 0.11 C ATOM 1543 CE LYS A 109 -1.439 -29.022 -17.129 1.00 40.54 C ATOM 1544 NZ LYS A 109 -1.678 -30.475 -17.347 1.00 70.20 N ATOM 0 H LYS A 109 -3.322 -27.125 -14.207 1.00 14.25 H new ATOM 0 HA LYS A 109 -2.567 -29.825 -14.394 1.00 51.23 H new ATOM 0 HB2 LYS A 109 -1.211 -27.506 -12.961 1.00 42.31 H new ATOM 0 HB3 LYS A 109 -0.438 -29.009 -13.425 1.00 42.31 H new ATOM 0 HG2 LYS A 109 -1.748 -27.198 -15.470 1.00 13.02 H new ATOM 0 HG3 LYS A 109 -0.094 -26.954 -14.946 1.00 13.02 H new ATOM 0 HD2 LYS A 109 0.535 -28.468 -16.492 1.00 0.11 H new ATOM 0 HD3 LYS A 109 -0.217 -29.702 -15.500 1.00 0.11 H new ATOM 0 HE2 LYS A 109 -2.377 -28.536 -16.859 1.00 40.54 H new ATOM 0 HE3 LYS A 109 -1.100 -28.566 -18.059 1.00 40.54 H new ATOM 0 HZ1 LYS A 109 -2.387 -30.601 -18.097 1.00 70.20 H new ATOM 0 HZ2 LYS A 109 -0.789 -30.935 -17.630 1.00 70.20 H new ATOM 0 HZ3 LYS A 109 -2.026 -30.906 -16.466 1.00 70.20 H new ATOM 1558 N LYS A 110 -3.059 -28.714 -11.315 1.00 64.42 N ATOM 1559 CA LYS A 110 -3.312 -29.141 -9.944 1.00 52.12 C ATOM 1560 C LYS A 110 -4.789 -29.461 -9.738 1.00 54.24 C ATOM 1561 O LYS A 110 -5.139 -30.532 -9.243 1.00 32.40 O ATOM 1562 CB LYS A 110 -2.873 -28.054 -8.961 1.00 11.24 C ATOM 1563 CG LYS A 110 -1.922 -28.553 -7.887 1.00 31.32 C ATOM 1564 CD LYS A 110 -1.139 -27.412 -7.261 1.00 5.30 C ATOM 1565 CE LYS A 110 0.266 -27.318 -7.837 1.00 21.21 C ATOM 1566 NZ LYS A 110 1.279 -27.027 -6.785 1.00 32.24 N ATOM 0 H LYS A 110 -3.084 -27.704 -11.453 1.00 64.42 H new ATOM 0 HA LYS A 110 -2.733 -30.046 -9.759 1.00 52.12 H new ATOM 0 HB2 LYS A 110 -2.391 -27.248 -9.515 1.00 11.24 H new ATOM 0 HB3 LYS A 110 -3.756 -27.629 -8.484 1.00 11.24 H new ATOM 0 HG2 LYS A 110 -2.486 -29.075 -7.114 1.00 31.32 H new ATOM 0 HG3 LYS A 110 -1.230 -29.276 -8.320 1.00 31.32 H new ATOM 0 HD2 LYS A 110 -1.666 -26.473 -7.429 1.00 5.30 H new ATOM 0 HD3 LYS A 110 -1.082 -27.557 -6.182 1.00 5.30 H new ATOM 0 HE2 LYS A 110 0.518 -28.255 -8.334 1.00 21.21 H new ATOM 0 HE3 LYS A 110 0.296 -26.536 -8.596 1.00 21.21 H new ATOM 0 HZ1 LYS A 110 2.223 -26.971 -7.218 1.00 32.24 H new ATOM 0 HZ2 LYS A 110 1.054 -26.121 -6.327 1.00 32.24 H new ATOM 0 HZ3 LYS A 110 1.269 -27.786 -6.074 1.00 32.24 H new TER 1580 LYS A 110