USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 791 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 96 LYS NZ :NH3+ 179:sc= -0.0302 (180deg=-0.0308) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 139:sc= -0.138 (180deg=-0.902) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -49:sc= 0.733 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 144:sc= -0.174 (180deg=-1.23) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -1.01 K(o=-1,f=-0.012) USER MOD Single : A 24 LYS NZ :NH3+ 157:sc= -0.142 (180deg=-0.669) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0578 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 157:sc= -0.241 (180deg=-0.928) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -2.87! K(o=-2.9!,f=-1.1) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 67 SER OG : rot 180:sc=-0.00658 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= -0.0551 (180deg=-0.254) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= -0.0181 (180deg=-0.0181) USER MOD Single : A 78 SER OG : rot -118:sc= 0.165 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 156:sc= 0.0481 (180deg=0.000415) USER MOD Single : A 94 GLN : amide:sc= -0.123 K(o=-0.12,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.186 1.606 -1.365 1.00 45.01 N ATOM 2 CA MET A 1 3.667 1.396 -2.726 1.00 32.21 C ATOM 3 C MET A 1 4.203 -0.022 -2.900 1.00 52.43 C ATOM 4 O MET A 1 4.682 -0.636 -1.947 1.00 52.54 O ATOM 5 CB MET A 1 4.758 2.412 -3.067 1.00 24.10 C ATOM 6 CG MET A 1 5.943 2.374 -2.115 1.00 61.54 C ATOM 7 SD MET A 1 7.241 1.249 -2.667 1.00 14.35 S ATOM 8 CE MET A 1 8.658 2.344 -2.671 1.00 50.22 C ATOM 0 H1 MET A 1 3.472 2.551 -1.038 1.00 45.01 H new ATOM 0 H2 MET A 1 2.149 1.533 -1.348 1.00 45.01 H new ATOM 0 H3 MET A 1 3.594 0.884 -0.737 1.00 45.01 H new ATOM 0 HA MET A 1 2.827 1.534 -3.407 1.00 32.21 H new ATOM 0 HB2 MET A 1 5.111 2.227 -4.081 1.00 24.10 H new ATOM 0 HB3 MET A 1 4.327 3.413 -3.057 1.00 24.10 H new ATOM 0 HG2 MET A 1 6.356 3.378 -2.015 1.00 61.54 H new ATOM 0 HG3 MET A 1 5.600 2.070 -1.126 1.00 61.54 H new ATOM 0 HE1 MET A 1 9.542 1.793 -2.991 1.00 50.22 H new ATOM 0 HE2 MET A 1 8.477 3.171 -3.358 1.00 50.22 H new ATOM 0 HE3 MET A 1 8.818 2.735 -1.666 1.00 50.22 H new ATOM 18 N ALA A 2 4.118 -0.535 -4.123 1.00 63.22 N ATOM 19 CA ALA A 2 4.596 -1.879 -4.422 1.00 24.31 C ATOM 20 C ALA A 2 5.986 -1.841 -5.050 1.00 15.11 C ATOM 21 O ALA A 2 6.322 -0.910 -5.780 1.00 12.41 O ATOM 22 CB ALA A 2 3.619 -2.595 -5.342 1.00 53.02 C ATOM 0 H ALA A 2 3.723 -0.040 -4.923 1.00 63.22 H new ATOM 0 HA ALA A 2 4.665 -2.430 -3.484 1.00 24.31 H new ATOM 0 HB1 ALA A 2 3.989 -3.597 -5.557 1.00 53.02 H new ATOM 0 HB2 ALA A 2 2.646 -2.664 -4.856 1.00 53.02 H new ATOM 0 HB3 ALA A 2 3.521 -2.037 -6.273 1.00 53.02 H new ATOM 28 N GLY A 3 6.790 -2.860 -4.760 1.00 54.51 N ATOM 29 CA GLY A 3 8.134 -2.922 -5.304 1.00 55.21 C ATOM 30 C GLY A 3 9.161 -3.328 -4.266 1.00 51.12 C ATOM 31 O GLY A 3 10.130 -2.608 -4.027 1.00 53.21 O ATOM 0 H GLY A 3 6.534 -3.643 -4.158 1.00 54.51 H new ATOM 0 HA2 GLY A 3 8.156 -3.633 -6.130 1.00 55.21 H new ATOM 0 HA3 GLY A 3 8.402 -1.948 -5.714 1.00 55.21 H new ATOM 35 N ALA A 4 8.949 -4.484 -3.647 1.00 34.44 N ATOM 36 CA ALA A 4 9.864 -4.985 -2.629 1.00 20.11 C ATOM 37 C ALA A 4 10.595 -6.232 -3.114 1.00 21.31 C ATOM 38 O ALA A 4 10.230 -6.821 -4.131 1.00 72.51 O ATOM 39 CB ALA A 4 9.111 -5.280 -1.340 1.00 75.24 C ATOM 0 H ALA A 4 8.151 -5.092 -3.833 1.00 34.44 H new ATOM 0 HA ALA A 4 10.608 -4.213 -2.433 1.00 20.11 H new ATOM 0 HB1 ALA A 4 9.807 -5.653 -0.589 1.00 75.24 H new ATOM 0 HB2 ALA A 4 8.641 -4.367 -0.976 1.00 75.24 H new ATOM 0 HB3 ALA A 4 8.345 -6.032 -1.530 1.00 75.24 H new ATOM 45 N SER A 5 11.630 -6.629 -2.380 1.00 71.10 N ATOM 46 CA SER A 5 12.415 -7.804 -2.738 1.00 64.24 C ATOM 47 C SER A 5 12.129 -8.961 -1.785 1.00 54.45 C ATOM 48 O SER A 5 13.048 -9.592 -1.263 1.00 54.40 O ATOM 49 CB SER A 5 13.908 -7.471 -2.719 1.00 65.03 C ATOM 50 OG SER A 5 14.273 -6.835 -1.507 1.00 5.41 O ATOM 0 H SER A 5 11.944 -6.154 -1.534 1.00 71.10 H new ATOM 0 HA SER A 5 12.130 -8.107 -3.745 1.00 64.24 H new ATOM 0 HB2 SER A 5 14.489 -8.385 -2.843 1.00 65.03 H new ATOM 0 HB3 SER A 5 14.150 -6.822 -3.561 1.00 65.03 H new ATOM 0 HG SER A 5 15.232 -6.634 -1.519 1.00 5.41 H new ATOM 56 N ASP A 6 10.847 -9.232 -1.564 1.00 62.53 N ATOM 57 CA ASP A 6 10.437 -10.313 -0.675 1.00 64.43 C ATOM 58 C ASP A 6 9.502 -11.281 -1.392 1.00 75.44 C ATOM 59 O ASP A 6 9.606 -12.497 -1.229 1.00 65.24 O ATOM 60 CB ASP A 6 9.750 -9.747 0.568 1.00 1.11 C ATOM 61 CG ASP A 6 10.701 -8.959 1.447 1.00 3.11 C ATOM 62 OD1 ASP A 6 11.215 -7.919 0.983 1.00 62.31 O ATOM 63 OD2 ASP A 6 10.931 -9.381 2.599 1.00 22.14 O ATOM 0 H ASP A 6 10.074 -8.718 -1.988 1.00 62.53 H new ATOM 0 HA ASP A 6 11.330 -10.858 -0.370 1.00 64.43 H new ATOM 0 HB2 ASP A 6 8.925 -9.104 0.262 1.00 1.11 H new ATOM 0 HB3 ASP A 6 9.319 -10.565 1.146 1.00 1.11 H new ATOM 68 N ARG A 7 8.586 -10.734 -2.185 1.00 44.24 N ATOM 69 CA ARG A 7 7.631 -11.549 -2.926 1.00 14.35 C ATOM 70 C ARG A 7 7.684 -11.230 -4.417 1.00 24.22 C ATOM 71 O ARG A 7 8.372 -10.300 -4.840 1.00 71.33 O ATOM 72 CB ARG A 7 6.214 -11.320 -2.395 1.00 2.41 C ATOM 73 CG ARG A 7 6.032 -11.737 -0.945 1.00 1.22 C ATOM 74 CD ARG A 7 4.962 -10.904 -0.256 1.00 20.52 C ATOM 75 NE ARG A 7 5.032 -11.019 1.199 1.00 53.25 N ATOM 76 CZ ARG A 7 4.540 -12.048 1.879 1.00 32.02 C ATOM 77 NH1 ARG A 7 3.946 -13.047 1.240 1.00 11.43 N ATOM 78 NH2 ARG A 7 4.642 -12.080 3.202 1.00 51.02 N ATOM 0 H ARG A 7 8.485 -9.729 -2.331 1.00 44.24 H new ATOM 0 HA ARG A 7 7.900 -12.596 -2.787 1.00 14.35 H new ATOM 0 HB2 ARG A 7 5.964 -10.264 -2.494 1.00 2.41 H new ATOM 0 HB3 ARG A 7 5.509 -11.874 -3.015 1.00 2.41 H new ATOM 0 HG2 ARG A 7 5.759 -12.791 -0.900 1.00 1.22 H new ATOM 0 HG3 ARG A 7 6.977 -11.629 -0.413 1.00 1.22 H new ATOM 0 HD2 ARG A 7 5.076 -9.859 -0.543 1.00 20.52 H new ATOM 0 HD3 ARG A 7 3.978 -11.223 -0.598 1.00 20.52 H new ATOM 0 HE ARG A 7 5.483 -10.268 1.721 1.00 53.25 H new ATOM 0 HH11 ARG A 7 3.866 -13.026 0.223 1.00 11.43 H new ATOM 0 HH12 ARG A 7 3.569 -13.836 1.765 1.00 11.43 H new ATOM 0 HH21 ARG A 7 5.099 -11.314 3.697 1.00 51.02 H new ATOM 0 HH22 ARG A 7 4.264 -12.871 3.724 1.00 51.02 H new ATOM 92 N THR A 8 6.955 -12.009 -5.210 1.00 15.41 N ATOM 93 CA THR A 8 6.920 -11.811 -6.653 1.00 62.14 C ATOM 94 C THR A 8 5.723 -10.961 -7.064 1.00 3.13 C ATOM 95 O THR A 8 5.164 -11.140 -8.145 1.00 12.34 O ATOM 96 CB THR A 8 6.862 -13.155 -7.403 1.00 74.41 C ATOM 97 OG1 THR A 8 7.010 -12.938 -8.811 1.00 33.23 O ATOM 98 CG2 THR A 8 5.547 -13.870 -7.131 1.00 34.13 C ATOM 0 H THR A 8 6.381 -12.783 -4.877 1.00 15.41 H new ATOM 0 HA THR A 8 7.840 -11.292 -6.922 1.00 62.14 H new ATOM 0 HB THR A 8 7.679 -13.781 -7.045 1.00 74.41 H new ATOM 0 HG1 THR A 8 6.396 -12.230 -9.099 1.00 33.23 H new ATOM 0 HG21 THR A 8 5.529 -14.817 -7.671 1.00 34.13 H new ATOM 0 HG22 THR A 8 5.451 -14.060 -6.062 1.00 34.13 H new ATOM 0 HG23 THR A 8 4.718 -13.246 -7.465 1.00 34.13 H new ATOM 106 N GLY A 9 5.335 -10.034 -6.193 1.00 2.10 N ATOM 107 CA GLY A 9 4.207 -9.169 -6.484 1.00 33.02 C ATOM 108 C GLY A 9 3.602 -8.565 -5.232 1.00 53.33 C ATOM 109 O GLY A 9 2.451 -8.843 -4.893 1.00 42.45 O ATOM 0 H GLY A 9 5.782 -9.867 -5.291 1.00 2.10 H new ATOM 0 HA2 GLY A 9 4.529 -8.369 -7.151 1.00 33.02 H new ATOM 0 HA3 GLY A 9 3.444 -9.738 -7.015 1.00 33.02 H new ATOM 113 N VAL A 10 4.379 -7.736 -4.542 1.00 32.33 N ATOM 114 CA VAL A 10 3.913 -7.091 -3.320 1.00 21.42 C ATOM 115 C VAL A 10 2.615 -6.330 -3.561 1.00 15.02 C ATOM 116 O VAL A 10 2.482 -5.605 -4.547 1.00 72.42 O ATOM 117 CB VAL A 10 4.969 -6.119 -2.761 1.00 21.43 C ATOM 118 CG1 VAL A 10 4.454 -5.438 -1.502 1.00 44.21 C ATOM 119 CG2 VAL A 10 6.274 -6.852 -2.485 1.00 14.40 C ATOM 0 H VAL A 10 5.334 -7.495 -4.808 1.00 32.33 H new ATOM 0 HA VAL A 10 3.737 -7.883 -2.592 1.00 21.42 H new ATOM 0 HB VAL A 10 5.162 -5.350 -3.509 1.00 21.43 H new ATOM 0 HG11 VAL A 10 5.213 -4.755 -1.121 1.00 44.21 H new ATOM 0 HG12 VAL A 10 3.548 -4.879 -1.735 1.00 44.21 H new ATOM 0 HG13 VAL A 10 4.231 -6.191 -0.746 1.00 44.21 H new ATOM 0 HG21 VAL A 10 7.009 -6.150 -2.091 1.00 14.40 H new ATOM 0 HG22 VAL A 10 6.100 -7.643 -1.756 1.00 14.40 H new ATOM 0 HG23 VAL A 10 6.649 -7.288 -3.411 1.00 14.40 H new ATOM 129 N ARG A 11 1.659 -6.499 -2.653 1.00 12.11 N ATOM 130 CA ARG A 11 0.369 -5.828 -2.767 1.00 5.01 C ATOM 131 C ARG A 11 0.533 -4.314 -2.666 1.00 65.25 C ATOM 132 O ARG A 11 1.558 -3.821 -2.194 1.00 14.03 O ATOM 133 CB ARG A 11 -0.584 -6.322 -1.678 1.00 15.33 C ATOM 134 CG ARG A 11 -1.453 -7.491 -2.113 1.00 3.03 C ATOM 135 CD ARG A 11 -2.696 -7.018 -2.849 1.00 50.14 C ATOM 136 NE ARG A 11 -3.748 -8.031 -2.855 1.00 23.20 N ATOM 137 CZ ARG A 11 -4.556 -8.257 -1.825 1.00 62.43 C ATOM 138 NH1 ARG A 11 -4.434 -7.545 -0.713 1.00 64.45 N ATOM 139 NH2 ARG A 11 -5.489 -9.197 -1.907 1.00 20.24 N ATOM 0 H ARG A 11 1.753 -7.095 -1.830 1.00 12.11 H new ATOM 0 HA ARG A 11 -0.052 -6.066 -3.744 1.00 5.01 H new ATOM 0 HB2 ARG A 11 -0.002 -6.618 -0.805 1.00 15.33 H new ATOM 0 HB3 ARG A 11 -1.227 -5.498 -1.368 1.00 15.33 H new ATOM 0 HG2 ARG A 11 -0.877 -8.154 -2.759 1.00 3.03 H new ATOM 0 HG3 ARG A 11 -1.746 -8.073 -1.239 1.00 3.03 H new ATOM 0 HD2 ARG A 11 -3.071 -6.109 -2.379 1.00 50.14 H new ATOM 0 HD3 ARG A 11 -2.434 -6.762 -3.875 1.00 50.14 H new ATOM 0 HE ARG A 11 -3.869 -8.596 -3.696 1.00 23.20 H new ATOM 0 HH11 ARG A 11 -3.718 -6.821 -0.647 1.00 64.45 H new ATOM 0 HH12 ARG A 11 -5.056 -7.721 0.076 1.00 64.45 H new ATOM 0 HH21 ARG A 11 -5.586 -9.746 -2.761 1.00 20.24 H new ATOM 0 HH22 ARG A 11 -6.109 -9.370 -1.116 1.00 20.24 H new ATOM 153 N ARG A 12 -0.482 -3.583 -3.115 1.00 22.22 N ATOM 154 CA ARG A 12 -0.449 -2.126 -3.077 1.00 74.11 C ATOM 155 C ARG A 12 -1.854 -1.555 -2.903 1.00 62.40 C ATOM 156 O ARG A 12 -2.857 -2.223 -3.156 1.00 13.54 O ATOM 157 CB ARG A 12 0.181 -1.575 -4.357 1.00 64.53 C ATOM 158 CG ARG A 12 -0.041 -2.458 -5.574 1.00 73.25 C ATOM 159 CD ARG A 12 -1.522 -2.623 -5.880 1.00 2.30 C ATOM 160 NE ARG A 12 -1.746 -3.376 -7.111 1.00 34.12 N ATOM 161 CZ ARG A 12 -1.471 -2.905 -8.322 1.00 3.44 C ATOM 162 NH1 ARG A 12 -0.962 -1.688 -8.463 1.00 74.32 N ATOM 163 NH2 ARG A 12 -1.703 -3.651 -9.394 1.00 41.31 N ATOM 0 H ARG A 12 -1.337 -3.976 -3.509 1.00 22.22 H new ATOM 0 HA ARG A 12 0.157 -1.824 -2.223 1.00 74.11 H new ATOM 0 HB2 ARG A 12 -0.230 -0.585 -4.557 1.00 64.53 H new ATOM 0 HB3 ARG A 12 1.252 -1.450 -4.200 1.00 64.53 H new ATOM 0 HG2 ARG A 12 0.464 -2.024 -6.437 1.00 73.25 H new ATOM 0 HG3 ARG A 12 0.407 -3.436 -5.402 1.00 73.25 H new ATOM 0 HD2 ARG A 12 -2.009 -3.133 -5.049 1.00 2.30 H new ATOM 0 HD3 ARG A 12 -1.986 -1.640 -5.967 1.00 2.30 H new ATOM 0 HE ARG A 12 -2.135 -4.316 -7.037 1.00 34.12 H new ATOM 0 HH11 ARG A 12 -0.781 -1.112 -7.641 1.00 74.32 H new ATOM 0 HH12 ARG A 12 -0.751 -1.328 -9.394 1.00 74.32 H new ATOM 0 HH21 ARG A 12 -2.093 -4.588 -9.289 1.00 41.31 H new ATOM 0 HH22 ARG A 12 -1.491 -3.288 -10.323 1.00 41.31 H new ATOM 177 N PRO A 13 -1.929 -0.291 -2.461 1.00 25.45 N ATOM 178 CA PRO A 13 -3.204 0.397 -2.243 1.00 33.02 C ATOM 179 C PRO A 13 -3.926 0.708 -3.550 1.00 5.33 C ATOM 180 O PRO A 13 -5.074 1.151 -3.545 1.00 74.35 O ATOM 181 CB PRO A 13 -2.793 1.692 -1.537 1.00 61.35 C ATOM 182 CG PRO A 13 -1.385 1.926 -1.966 1.00 75.21 C ATOM 183 CD PRO A 13 -0.773 0.563 -2.139 1.00 53.33 C ATOM 0 HA PRO A 13 -3.903 -0.213 -1.671 1.00 33.02 H new ATOM 0 HB2 PRO A 13 -3.438 2.522 -1.825 1.00 61.35 H new ATOM 0 HB3 PRO A 13 -2.866 1.593 -0.454 1.00 61.35 H new ATOM 0 HG2 PRO A 13 -1.350 2.491 -2.898 1.00 75.21 H new ATOM 0 HG3 PRO A 13 -0.841 2.506 -1.221 1.00 75.21 H new ATOM 0 HD2 PRO A 13 -0.032 0.554 -2.938 1.00 53.33 H new ATOM 0 HD3 PRO A 13 -0.268 0.231 -1.232 1.00 53.33 H new ATOM 191 N ARG A 14 -3.244 0.474 -4.666 1.00 52.15 N ATOM 192 CA ARG A 14 -3.820 0.730 -5.981 1.00 14.50 C ATOM 193 C ARG A 14 -4.977 -0.224 -6.263 1.00 63.34 C ATOM 194 O ARG A 14 -5.789 0.014 -7.157 1.00 61.15 O ATOM 195 CB ARG A 14 -2.752 0.589 -7.066 1.00 45.12 C ATOM 196 CG ARG A 14 -2.817 1.673 -8.130 1.00 64.20 C ATOM 197 CD ARG A 14 -2.106 2.939 -7.679 1.00 52.42 C ATOM 198 NE ARG A 14 -0.653 2.798 -7.725 1.00 33.23 N ATOM 199 CZ ARG A 14 0.044 2.736 -8.854 1.00 0.44 C ATOM 200 NH1 ARG A 14 -0.575 2.804 -10.024 1.00 14.31 N ATOM 201 NH2 ARG A 14 1.364 2.607 -8.813 1.00 41.43 N ATOM 0 H ARG A 14 -2.292 0.108 -4.686 1.00 52.15 H new ATOM 0 HA ARG A 14 -4.203 1.750 -5.989 1.00 14.50 H new ATOM 0 HB2 ARG A 14 -1.767 0.609 -6.599 1.00 45.12 H new ATOM 0 HB3 ARG A 14 -2.859 -0.385 -7.544 1.00 45.12 H new ATOM 0 HG2 ARG A 14 -2.363 1.308 -9.051 1.00 64.20 H new ATOM 0 HG3 ARG A 14 -3.859 1.900 -8.356 1.00 64.20 H new ATOM 0 HD2 ARG A 14 -2.410 3.771 -8.314 1.00 52.42 H new ATOM 0 HD3 ARG A 14 -2.414 3.185 -6.663 1.00 52.42 H new ATOM 0 HE ARG A 14 -0.146 2.744 -6.842 1.00 33.23 H new ATOM 0 HH11 ARG A 14 -1.589 2.904 -10.059 1.00 14.31 H new ATOM 0 HH12 ARG A 14 -0.037 2.756 -10.889 1.00 14.31 H new ATOM 0 HH21 ARG A 14 1.844 2.555 -7.914 1.00 41.43 H new ATOM 0 HH22 ARG A 14 1.899 2.559 -9.680 1.00 41.43 H new ATOM 215 N LYS A 15 -5.045 -1.306 -5.495 1.00 64.44 N ATOM 216 CA LYS A 15 -6.101 -2.298 -5.661 1.00 41.21 C ATOM 217 C LYS A 15 -7.475 -1.636 -5.651 1.00 41.43 C ATOM 218 O LYS A 15 -7.989 -1.266 -4.596 1.00 22.42 O ATOM 219 CB LYS A 15 -6.021 -3.348 -4.551 1.00 73.31 C ATOM 220 CG LYS A 15 -4.772 -4.209 -4.617 1.00 23.31 C ATOM 221 CD LYS A 15 -4.812 -5.161 -5.800 1.00 72.43 C ATOM 222 CE LYS A 15 -5.579 -6.432 -5.468 1.00 13.15 C ATOM 223 NZ LYS A 15 -5.359 -7.496 -6.486 1.00 50.30 N ATOM 0 H LYS A 15 -4.381 -1.519 -4.751 1.00 64.44 H new ATOM 0 HA LYS A 15 -5.959 -2.786 -6.625 1.00 41.21 H new ATOM 0 HB2 LYS A 15 -6.055 -2.846 -3.584 1.00 73.31 H new ATOM 0 HB3 LYS A 15 -6.899 -3.991 -4.607 1.00 73.31 H new ATOM 0 HG2 LYS A 15 -3.892 -3.570 -4.693 1.00 23.31 H new ATOM 0 HG3 LYS A 15 -4.673 -4.779 -3.693 1.00 23.31 H new ATOM 0 HD2 LYS A 15 -5.278 -4.665 -6.651 1.00 72.43 H new ATOM 0 HD3 LYS A 15 -3.795 -5.416 -6.098 1.00 72.43 H new ATOM 0 HE2 LYS A 15 -5.270 -6.797 -4.489 1.00 13.15 H new ATOM 0 HE3 LYS A 15 -6.643 -6.207 -5.403 1.00 13.15 H new ATOM 0 HZ1 LYS A 15 -5.899 -8.345 -6.223 1.00 50.30 H new ATOM 0 HZ2 LYS A 15 -5.678 -7.158 -7.416 1.00 50.30 H new ATOM 0 HZ3 LYS A 15 -4.347 -7.730 -6.531 1.00 50.30 H new ATOM 237 N ALA A 16 -8.065 -1.490 -6.833 1.00 50.11 N ATOM 238 CA ALA A 16 -9.381 -0.876 -6.959 1.00 41.34 C ATOM 239 C ALA A 16 -10.486 -1.869 -6.615 1.00 4.32 C ATOM 240 O ALA A 16 -11.607 -1.478 -6.291 1.00 33.01 O ATOM 241 CB ALA A 16 -9.577 -0.333 -8.367 1.00 41.32 C ATOM 0 H ALA A 16 -7.652 -1.789 -7.717 1.00 50.11 H new ATOM 0 HA ALA A 16 -9.438 -0.049 -6.251 1.00 41.34 H new ATOM 0 HB1 ALA A 16 -10.564 0.123 -8.447 1.00 41.32 H new ATOM 0 HB2 ALA A 16 -8.813 0.416 -8.578 1.00 41.32 H new ATOM 0 HB3 ALA A 16 -9.494 -1.148 -9.086 1.00 41.32 H new ATOM 247 N LYS A 17 -10.162 -3.155 -6.687 1.00 61.42 N ATOM 248 CA LYS A 17 -11.126 -4.206 -6.382 1.00 51.25 C ATOM 249 C LYS A 17 -11.630 -4.083 -4.948 1.00 2.50 C ATOM 250 O LYS A 17 -12.774 -4.424 -4.649 1.00 54.22 O ATOM 251 CB LYS A 17 -10.495 -5.583 -6.596 1.00 70.51 C ATOM 252 CG LYS A 17 -10.683 -6.127 -8.002 1.00 24.00 C ATOM 253 CD LYS A 17 -11.935 -6.981 -8.107 1.00 61.21 C ATOM 254 CE LYS A 17 -13.188 -6.124 -8.203 1.00 63.15 C ATOM 255 NZ LYS A 17 -13.800 -5.884 -6.867 1.00 61.43 N ATOM 0 H LYS A 17 -9.238 -3.495 -6.954 1.00 61.42 H new ATOM 0 HA LYS A 17 -11.974 -4.093 -7.057 1.00 51.25 H new ATOM 0 HB2 LYS A 17 -9.429 -5.522 -6.379 1.00 70.51 H new ATOM 0 HB3 LYS A 17 -10.926 -6.286 -5.883 1.00 70.51 H new ATOM 0 HG2 LYS A 17 -10.746 -5.299 -8.708 1.00 24.00 H new ATOM 0 HG3 LYS A 17 -9.813 -6.720 -8.283 1.00 24.00 H new ATOM 0 HD2 LYS A 17 -11.865 -7.625 -8.984 1.00 61.21 H new ATOM 0 HD3 LYS A 17 -12.005 -7.634 -7.237 1.00 61.21 H new ATOM 0 HE2 LYS A 17 -12.940 -5.169 -8.666 1.00 63.15 H new ATOM 0 HE3 LYS A 17 -13.914 -6.614 -8.852 1.00 63.15 H new ATOM 0 HZ1 LYS A 17 -14.196 -4.923 -6.834 1.00 61.43 H new ATOM 0 HZ2 LYS A 17 -14.559 -6.576 -6.703 1.00 61.43 H new ATOM 0 HZ3 LYS A 17 -13.074 -5.985 -6.129 1.00 61.43 H new ATOM 269 N LYS A 18 -10.768 -3.591 -4.063 1.00 74.45 N ATOM 270 CA LYS A 18 -11.126 -3.420 -2.660 1.00 41.04 C ATOM 271 C LYS A 18 -12.271 -2.423 -2.508 1.00 63.45 C ATOM 272 O LYS A 18 -12.292 -1.383 -3.166 1.00 60.14 O ATOM 273 CB LYS A 18 -9.912 -2.945 -1.858 1.00 35.11 C ATOM 274 CG LYS A 18 -9.581 -1.478 -2.067 1.00 52.32 C ATOM 275 CD LYS A 18 -8.138 -1.174 -1.703 1.00 24.43 C ATOM 276 CE LYS A 18 -7.944 -1.113 -0.195 1.00 74.32 C ATOM 277 NZ LYS A 18 -6.511 -0.951 0.174 1.00 10.41 N ATOM 0 H LYS A 18 -9.817 -3.304 -4.293 1.00 74.45 H new ATOM 0 HA LYS A 18 -11.455 -4.385 -2.274 1.00 41.04 H new ATOM 0 HB2 LYS A 18 -10.096 -3.120 -0.798 1.00 35.11 H new ATOM 0 HB3 LYS A 18 -9.046 -3.547 -2.134 1.00 35.11 H new ATOM 0 HG2 LYS A 18 -9.759 -1.209 -3.108 1.00 52.32 H new ATOM 0 HG3 LYS A 18 -10.247 -0.864 -1.461 1.00 52.32 H new ATOM 0 HD2 LYS A 18 -7.486 -1.940 -2.124 1.00 24.43 H new ATOM 0 HD3 LYS A 18 -7.842 -0.224 -2.148 1.00 24.43 H new ATOM 0 HE2 LYS A 18 -8.520 -0.282 0.212 1.00 74.32 H new ATOM 0 HE3 LYS A 18 -8.335 -2.024 0.259 1.00 74.32 H new ATOM 0 HZ1 LYS A 18 -6.421 -0.914 1.209 1.00 10.41 H new ATOM 0 HZ2 LYS A 18 -5.965 -1.757 -0.192 1.00 10.41 H new ATOM 0 HZ3 LYS A 18 -6.144 -0.069 -0.237 1.00 10.41 H new ATOM 291 N ASP A 19 -13.219 -2.748 -1.637 1.00 14.30 N ATOM 292 CA ASP A 19 -14.366 -1.879 -1.397 1.00 32.42 C ATOM 293 C ASP A 19 -13.962 -0.660 -0.574 1.00 63.02 C ATOM 294 O ASP A 19 -12.985 -0.682 0.175 1.00 63.14 O ATOM 295 CB ASP A 19 -15.475 -2.650 -0.678 1.00 62.02 C ATOM 296 CG ASP A 19 -16.241 -3.567 -1.611 1.00 63.32 C ATOM 297 OD1 ASP A 19 -17.028 -3.054 -2.433 1.00 13.23 O ATOM 298 OD2 ASP A 19 -16.053 -4.799 -1.519 1.00 51.32 O ATOM 0 H ASP A 19 -13.217 -3.606 -1.085 1.00 14.30 H new ATOM 0 HA ASP A 19 -14.739 -1.536 -2.362 1.00 32.42 H new ATOM 0 HB2 ASP A 19 -15.039 -3.239 0.129 1.00 62.02 H new ATOM 0 HB3 ASP A 19 -16.166 -1.943 -0.219 1.00 62.02 H new ATOM 303 N PRO A 20 -14.729 0.431 -0.716 1.00 32.11 N ATOM 304 CA PRO A 20 -14.470 1.680 0.006 1.00 41.33 C ATOM 305 C PRO A 20 -14.751 1.556 1.499 1.00 14.32 C ATOM 306 O PRO A 20 -13.993 2.059 2.327 1.00 65.41 O ATOM 307 CB PRO A 20 -15.441 2.671 -0.641 1.00 1.40 C ATOM 308 CG PRO A 20 -16.545 1.826 -1.175 1.00 52.00 C ATOM 309 CD PRO A 20 -15.909 0.528 -1.591 1.00 54.40 C ATOM 0 HA PRO A 20 -13.424 1.981 -0.062 1.00 41.33 H new ATOM 0 HB2 PRO A 20 -15.812 3.394 0.086 1.00 1.40 H new ATOM 0 HB3 PRO A 20 -14.957 3.238 -1.436 1.00 1.40 H new ATOM 0 HG2 PRO A 20 -17.311 1.660 -0.417 1.00 52.00 H new ATOM 0 HG3 PRO A 20 -17.033 2.310 -2.021 1.00 52.00 H new ATOM 0 HD2 PRO A 20 -16.585 -0.315 -1.448 1.00 54.40 H new ATOM 0 HD3 PRO A 20 -15.629 0.537 -2.644 1.00 54.40 H new ATOM 317 N ASN A 21 -15.847 0.884 1.836 1.00 21.44 N ATOM 318 CA ASN A 21 -16.228 0.694 3.231 1.00 33.22 C ATOM 319 C ASN A 21 -16.255 2.026 3.974 1.00 52.31 C ATOM 320 O ASN A 21 -15.755 2.135 5.093 1.00 62.11 O ATOM 321 CB ASN A 21 -15.258 -0.268 3.921 1.00 51.44 C ATOM 322 CG ASN A 21 -15.574 -1.720 3.622 1.00 65.54 C ATOM 323 OD1 ASN A 21 -15.867 -2.502 4.526 1.00 24.51 O ATOM 324 ND2 ASN A 21 -15.514 -2.088 2.347 1.00 74.31 N ATOM 0 H ASN A 21 -16.487 0.462 1.163 1.00 21.44 H new ATOM 0 HA ASN A 21 -17.230 0.266 3.252 1.00 33.22 H new ATOM 0 HB2 ASN A 21 -14.240 -0.047 3.599 1.00 51.44 H new ATOM 0 HB3 ASN A 21 -15.294 -0.105 4.998 1.00 51.44 H new ATOM 0 HD21 ASN A 21 -15.715 -3.053 2.085 1.00 74.31 H new ATOM 0 HD22 ASN A 21 -15.267 -1.406 1.630 1.00 74.31 H new ATOM 331 N ALA A 22 -16.843 3.037 3.343 1.00 15.31 N ATOM 332 CA ALA A 22 -16.938 4.362 3.945 1.00 73.44 C ATOM 333 C ALA A 22 -17.528 4.286 5.349 1.00 61.31 C ATOM 334 O ALA A 22 -18.178 3.309 5.724 1.00 45.34 O ATOM 335 CB ALA A 22 -17.775 5.281 3.068 1.00 74.14 C ATOM 0 H ALA A 22 -17.261 2.964 2.415 1.00 15.31 H new ATOM 0 HA ALA A 22 -15.931 4.771 4.024 1.00 73.44 H new ATOM 0 HB1 ALA A 22 -17.838 6.267 3.529 1.00 74.14 H new ATOM 0 HB2 ALA A 22 -17.311 5.369 2.086 1.00 74.14 H new ATOM 0 HB3 ALA A 22 -18.777 4.867 2.960 1.00 74.14 H new ATOM 341 N PRO A 23 -17.297 5.339 6.146 1.00 11.41 N ATOM 342 CA PRO A 23 -17.797 5.416 7.522 1.00 30.51 C ATOM 343 C PRO A 23 -19.312 5.579 7.580 1.00 0.12 C ATOM 344 O PRO A 23 -19.872 6.491 6.972 1.00 74.03 O ATOM 345 CB PRO A 23 -17.103 6.659 8.083 1.00 0.03 C ATOM 346 CG PRO A 23 -16.806 7.499 6.889 1.00 30.41 C ATOM 347 CD PRO A 23 -16.531 6.538 5.766 1.00 61.15 C ATOM 0 HA PRO A 23 -17.588 4.505 8.083 1.00 30.51 H new ATOM 0 HB2 PRO A 23 -17.745 7.187 8.788 1.00 0.03 H new ATOM 0 HB3 PRO A 23 -16.191 6.395 8.618 1.00 0.03 H new ATOM 0 HG2 PRO A 23 -17.648 8.149 6.650 1.00 30.41 H new ATOM 0 HG3 PRO A 23 -15.947 8.145 7.070 1.00 30.41 H new ATOM 0 HD2 PRO A 23 -16.860 6.937 4.806 1.00 61.15 H new ATOM 0 HD3 PRO A 23 -15.467 6.322 5.674 1.00 61.15 H new ATOM 355 N LYS A 24 -19.971 4.690 8.316 1.00 5.44 N ATOM 356 CA LYS A 24 -21.421 4.736 8.456 1.00 12.52 C ATOM 357 C LYS A 24 -21.819 5.270 9.829 1.00 62.51 C ATOM 358 O LYS A 24 -22.934 5.037 10.296 1.00 2.12 O ATOM 359 CB LYS A 24 -22.019 3.344 8.245 1.00 20.44 C ATOM 360 CG LYS A 24 -22.452 3.078 6.814 1.00 64.41 C ATOM 361 CD LYS A 24 -21.257 2.978 5.880 1.00 53.02 C ATOM 362 CE LYS A 24 -20.564 1.630 6.003 1.00 72.30 C ATOM 363 NZ LYS A 24 -21.469 0.505 5.635 1.00 1.44 N ATOM 0 H LYS A 24 -19.523 3.928 8.825 1.00 5.44 H new ATOM 0 HA LYS A 24 -21.813 5.412 7.696 1.00 12.52 H new ATOM 0 HB2 LYS A 24 -21.285 2.594 8.539 1.00 20.44 H new ATOM 0 HB3 LYS A 24 -22.879 3.223 8.904 1.00 20.44 H new ATOM 0 HG2 LYS A 24 -23.026 2.152 6.773 1.00 64.41 H new ATOM 0 HG3 LYS A 24 -23.112 3.878 6.478 1.00 64.41 H new ATOM 0 HD2 LYS A 24 -21.585 3.127 4.851 1.00 53.02 H new ATOM 0 HD3 LYS A 24 -20.549 3.774 6.108 1.00 53.02 H new ATOM 0 HE2 LYS A 24 -19.684 1.614 5.359 1.00 72.30 H new ATOM 0 HE3 LYS A 24 -20.213 1.494 7.026 1.00 72.30 H new ATOM 0 HZ1 LYS A 24 -20.901 -0.319 5.353 1.00 1.44 H new ATOM 0 HZ2 LYS A 24 -22.061 0.254 6.452 1.00 1.44 H new ATOM 0 HZ3 LYS A 24 -22.077 0.794 4.842 1.00 1.44 H new ATOM 377 N ARG A 25 -20.901 5.986 10.469 1.00 24.02 N ATOM 378 CA ARG A 25 -21.156 6.552 11.788 1.00 13.11 C ATOM 379 C ARG A 25 -20.826 8.042 11.814 1.00 61.42 C ATOM 380 O ARG A 25 -19.978 8.513 11.056 1.00 32.43 O ATOM 381 CB ARG A 25 -20.335 5.818 12.850 1.00 44.25 C ATOM 382 CG ARG A 25 -21.156 5.351 14.040 1.00 2.33 C ATOM 383 CD ARG A 25 -21.136 6.373 15.166 1.00 43.50 C ATOM 384 NE ARG A 25 -19.786 6.599 15.677 1.00 72.23 N ATOM 385 CZ ARG A 25 -19.151 5.748 16.475 1.00 12.45 C ATOM 386 NH1 ARG A 25 -19.740 4.622 16.852 1.00 32.14 N ATOM 387 NH2 ARG A 25 -17.924 6.024 16.899 1.00 71.24 N ATOM 0 H ARG A 25 -19.974 6.188 10.095 1.00 24.02 H new ATOM 0 HA ARG A 25 -22.216 6.428 12.009 1.00 13.11 H new ATOM 0 HB2 ARG A 25 -19.852 4.955 12.391 1.00 44.25 H new ATOM 0 HB3 ARG A 25 -19.542 6.477 13.203 1.00 44.25 H new ATOM 0 HG2 ARG A 25 -22.185 5.173 13.727 1.00 2.33 H new ATOM 0 HG3 ARG A 25 -20.765 4.401 14.403 1.00 2.33 H new ATOM 0 HD2 ARG A 25 -21.550 7.315 14.808 1.00 43.50 H new ATOM 0 HD3 ARG A 25 -21.778 6.031 15.978 1.00 43.50 H new ATOM 0 HE ARG A 25 -19.305 7.457 15.406 1.00 72.23 H new ATOM 0 HH11 ARG A 25 -20.683 4.407 16.529 1.00 32.14 H new ATOM 0 HH12 ARG A 25 -19.250 3.970 17.465 1.00 32.14 H new ATOM 0 HH21 ARG A 25 -17.468 6.890 16.612 1.00 71.24 H new ATOM 0 HH22 ARG A 25 -17.437 5.370 17.512 1.00 71.24 H new ATOM 401 N ALA A 26 -21.502 8.777 12.690 1.00 0.31 N ATOM 402 CA ALA A 26 -21.279 10.212 12.816 1.00 54.35 C ATOM 403 C ALA A 26 -20.347 10.523 13.982 1.00 54.53 C ATOM 404 O ALA A 26 -20.179 9.708 14.890 1.00 43.34 O ATOM 405 CB ALA A 26 -22.605 10.939 12.988 1.00 20.14 C ATOM 0 H ALA A 26 -22.209 8.403 13.323 1.00 0.31 H new ATOM 0 HA ALA A 26 -20.801 10.562 11.901 1.00 54.35 H new ATOM 0 HB1 ALA A 26 -22.424 12.010 13.081 1.00 20.14 H new ATOM 0 HB2 ALA A 26 -23.238 10.752 12.120 1.00 20.14 H new ATOM 0 HB3 ALA A 26 -23.105 10.576 13.886 1.00 20.14 H new ATOM 411 N LEU A 27 -19.744 11.706 13.951 1.00 2.41 N ATOM 412 CA LEU A 27 -18.827 12.125 15.006 1.00 14.30 C ATOM 413 C LEU A 27 -19.469 11.964 16.380 1.00 11.24 C ATOM 414 O LEU A 27 -20.586 12.427 16.613 1.00 3.02 O ATOM 415 CB LEU A 27 -18.406 13.581 14.795 1.00 72.44 C ATOM 416 CG LEU A 27 -17.138 13.799 13.968 1.00 15.10 C ATOM 417 CD1 LEU A 27 -17.131 12.888 12.751 1.00 72.52 C ATOM 418 CD2 LEU A 27 -17.022 15.256 13.546 1.00 43.51 C ATOM 0 H LEU A 27 -19.873 12.392 13.207 1.00 2.41 H new ATOM 0 HA LEU A 27 -17.944 11.488 14.960 1.00 14.30 H new ATOM 0 HB2 LEU A 27 -19.227 14.109 14.311 1.00 72.44 H new ATOM 0 HB3 LEU A 27 -18.262 14.042 15.772 1.00 72.44 H new ATOM 0 HG LEU A 27 -16.276 13.550 14.587 1.00 15.10 H new ATOM 0 HD11 LEU A 27 -16.221 13.057 12.175 1.00 72.52 H new ATOM 0 HD12 LEU A 27 -17.167 11.848 13.075 1.00 72.52 H new ATOM 0 HD13 LEU A 27 -18.000 13.105 12.129 1.00 72.52 H new ATOM 0 HD21 LEU A 27 -16.114 15.393 12.958 1.00 43.51 H new ATOM 0 HD22 LEU A 27 -17.889 15.531 12.945 1.00 43.51 H new ATOM 0 HD23 LEU A 27 -16.980 15.889 14.432 1.00 43.51 H new ATOM 430 N SER A 28 -18.755 11.307 17.288 1.00 25.21 N ATOM 431 CA SER A 28 -19.255 11.083 18.639 1.00 2.34 C ATOM 432 C SER A 28 -19.722 12.392 19.269 1.00 11.01 C ATOM 433 O SER A 28 -19.397 13.477 18.786 1.00 32.23 O ATOM 434 CB SER A 28 -18.170 10.445 19.509 1.00 63.14 C ATOM 435 OG SER A 28 -18.407 9.059 19.684 1.00 24.20 O ATOM 0 H SER A 28 -17.828 10.920 17.112 1.00 25.21 H new ATOM 0 HA SER A 28 -20.106 10.405 18.577 1.00 2.34 H new ATOM 0 HB2 SER A 28 -17.194 10.595 19.047 1.00 63.14 H new ATOM 0 HB3 SER A 28 -18.142 10.938 20.481 1.00 63.14 H new ATOM 0 HG SER A 28 -17.699 8.674 20.242 1.00 24.20 H new ATOM 441 N SER A 29 -20.487 12.281 20.350 1.00 11.24 N ATOM 442 CA SER A 29 -21.003 13.455 21.045 1.00 32.32 C ATOM 443 C SER A 29 -19.895 14.154 21.827 1.00 53.44 C ATOM 444 O SER A 29 -19.524 15.288 21.520 1.00 74.32 O ATOM 445 CB SER A 29 -22.137 13.056 21.992 1.00 23.50 C ATOM 446 OG SER A 29 -21.785 11.916 22.757 1.00 24.20 O ATOM 0 H SER A 29 -20.763 11.391 20.764 1.00 11.24 H new ATOM 0 HA SER A 29 -21.390 14.148 20.298 1.00 32.32 H new ATOM 0 HB2 SER A 29 -22.369 13.887 22.658 1.00 23.50 H new ATOM 0 HB3 SER A 29 -23.039 12.848 21.417 1.00 23.50 H new ATOM 0 HG SER A 29 -22.525 11.682 23.355 1.00 24.20 H new ATOM 452 N TYR A 30 -19.371 13.471 22.838 1.00 71.02 N ATOM 453 CA TYR A 30 -18.307 14.026 23.666 1.00 53.52 C ATOM 454 C TYR A 30 -16.946 13.835 23.004 1.00 22.25 C ATOM 455 O TYR A 30 -16.044 14.657 23.165 1.00 73.11 O ATOM 456 CB TYR A 30 -18.312 13.370 25.048 1.00 55.45 C ATOM 457 CG TYR A 30 -17.582 14.172 26.101 1.00 13.12 C ATOM 458 CD1 TYR A 30 -16.195 14.238 26.115 1.00 44.24 C ATOM 459 CD2 TYR A 30 -18.281 14.864 27.083 1.00 5.50 C ATOM 460 CE1 TYR A 30 -15.524 14.969 27.076 1.00 65.21 C ATOM 461 CE2 TYR A 30 -17.618 15.599 28.047 1.00 22.14 C ATOM 462 CZ TYR A 30 -16.239 15.647 28.040 1.00 54.50 C ATOM 463 OH TYR A 30 -15.575 16.378 28.998 1.00 23.44 O ATOM 0 H TYR A 30 -19.666 12.532 23.104 1.00 71.02 H new ATOM 0 HA TYR A 30 -18.489 15.095 23.779 1.00 53.52 H new ATOM 0 HB2 TYR A 30 -19.344 13.221 25.367 1.00 55.45 H new ATOM 0 HB3 TYR A 30 -17.856 12.383 24.974 1.00 55.45 H new ATOM 0 HD1 TYR A 30 -15.631 13.709 25.361 1.00 44.24 H new ATOM 0 HD2 TYR A 30 -19.360 14.827 27.093 1.00 5.50 H new ATOM 0 HE1 TYR A 30 -14.445 15.009 27.072 1.00 65.21 H new ATOM 0 HE2 TYR A 30 -18.176 16.133 28.802 1.00 22.14 H new ATOM 0 HH TYR A 30 -16.226 16.795 29.601 1.00 23.44 H new ATOM 473 N MET A 31 -16.806 12.743 22.260 1.00 64.12 N ATOM 474 CA MET A 31 -15.555 12.443 21.572 1.00 72.01 C ATOM 475 C MET A 31 -15.396 13.313 20.329 1.00 32.01 C ATOM 476 O MET A 31 -14.361 13.279 19.664 1.00 61.13 O ATOM 477 CB MET A 31 -15.504 10.964 21.183 1.00 10.14 C ATOM 478 CG MET A 31 -14.335 10.214 21.801 1.00 33.40 C ATOM 479 SD MET A 31 -14.425 10.148 23.601 1.00 40.13 S ATOM 480 CE MET A 31 -16.023 9.374 23.832 1.00 34.30 C ATOM 0 H MET A 31 -17.542 12.052 22.118 1.00 64.12 H new ATOM 0 HA MET A 31 -14.733 12.661 22.254 1.00 72.01 H new ATOM 0 HB2 MET A 31 -16.434 10.484 21.487 1.00 10.14 H new ATOM 0 HB3 MET A 31 -15.444 10.884 20.098 1.00 10.14 H new ATOM 0 HG2 MET A 31 -14.310 9.199 21.405 1.00 33.40 H new ATOM 0 HG3 MET A 31 -13.403 10.695 21.505 1.00 33.40 H new ATOM 0 HE1 MET A 31 -16.059 8.899 24.812 1.00 34.30 H new ATOM 0 HE2 MET A 31 -16.806 10.129 23.766 1.00 34.30 H new ATOM 0 HE3 MET A 31 -16.178 8.622 23.058 1.00 34.30 H new ATOM 490 N PHE A 32 -16.428 14.092 20.021 1.00 32.43 N ATOM 491 CA PHE A 32 -16.403 14.970 18.857 1.00 30.33 C ATOM 492 C PHE A 32 -15.064 15.694 18.751 1.00 30.31 C ATOM 493 O PHE A 32 -14.575 15.961 17.653 1.00 34.01 O ATOM 494 CB PHE A 32 -17.542 15.989 18.936 1.00 63.41 C ATOM 495 CG PHE A 32 -17.266 17.124 19.879 1.00 2.43 C ATOM 496 CD1 PHE A 32 -17.142 16.897 21.240 1.00 14.45 C ATOM 497 CD2 PHE A 32 -17.130 18.419 19.405 1.00 54.12 C ATOM 498 CE1 PHE A 32 -16.888 17.940 22.111 1.00 11.33 C ATOM 499 CE2 PHE A 32 -16.876 19.466 20.271 1.00 63.24 C ATOM 500 CZ PHE A 32 -16.756 19.226 21.626 1.00 44.33 C ATOM 0 H PHE A 32 -17.292 14.133 20.561 1.00 32.43 H new ATOM 0 HA PHE A 32 -16.535 14.356 17.966 1.00 30.33 H new ATOM 0 HB2 PHE A 32 -17.728 16.392 17.940 1.00 63.41 H new ATOM 0 HB3 PHE A 32 -18.453 15.480 19.250 1.00 63.41 H new ATOM 0 HD1 PHE A 32 -17.245 15.893 21.625 1.00 14.45 H new ATOM 0 HD2 PHE A 32 -17.224 18.613 18.347 1.00 54.12 H new ATOM 0 HE1 PHE A 32 -16.793 17.749 23.170 1.00 11.33 H new ATOM 0 HE2 PHE A 32 -16.771 20.471 19.889 1.00 63.24 H new ATOM 0 HZ PHE A 32 -16.559 20.043 22.305 1.00 44.33 H new ATOM 510 N PHE A 33 -14.476 16.009 19.900 1.00 21.03 N ATOM 511 CA PHE A 33 -13.194 16.704 19.938 1.00 72.51 C ATOM 512 C PHE A 33 -12.159 15.981 19.081 1.00 41.33 C ATOM 513 O PHE A 33 -11.541 16.578 18.199 1.00 15.45 O ATOM 514 CB PHE A 33 -12.692 16.814 21.379 1.00 51.20 C ATOM 515 CG PHE A 33 -11.365 17.507 21.500 1.00 40.02 C ATOM 516 CD1 PHE A 33 -11.267 18.879 21.334 1.00 53.23 C ATOM 517 CD2 PHE A 33 -10.215 16.786 21.780 1.00 13.41 C ATOM 518 CE1 PHE A 33 -10.047 19.519 21.444 1.00 71.14 C ATOM 519 CE2 PHE A 33 -8.992 17.421 21.892 1.00 73.24 C ATOM 520 CZ PHE A 33 -8.909 18.789 21.724 1.00 5.11 C ATOM 0 H PHE A 33 -14.867 15.794 20.817 1.00 21.03 H new ATOM 0 HA PHE A 33 -13.340 17.706 19.534 1.00 72.51 H new ATOM 0 HB2 PHE A 33 -13.430 17.354 21.972 1.00 51.20 H new ATOM 0 HB3 PHE A 33 -12.611 15.814 21.804 1.00 51.20 H new ATOM 0 HD1 PHE A 33 -12.154 19.455 21.116 1.00 53.23 H new ATOM 0 HD2 PHE A 33 -10.275 15.716 21.912 1.00 13.41 H new ATOM 0 HE1 PHE A 33 -9.984 20.589 21.311 1.00 71.14 H new ATOM 0 HE2 PHE A 33 -8.103 16.848 22.111 1.00 73.24 H new ATOM 0 HZ PHE A 33 -7.955 19.287 21.812 1.00 5.11 H new ATOM 530 N ALA A 34 -11.975 14.692 19.347 1.00 44.32 N ATOM 531 CA ALA A 34 -11.016 13.888 18.600 1.00 62.41 C ATOM 532 C ALA A 34 -11.632 13.356 17.310 1.00 0.22 C ATOM 533 O ALA A 34 -10.996 13.364 16.256 1.00 5.32 O ATOM 534 CB ALA A 34 -10.510 12.738 19.458 1.00 21.33 C ATOM 0 H ALA A 34 -12.477 14.182 20.074 1.00 44.32 H new ATOM 0 HA ALA A 34 -10.174 14.527 18.334 1.00 62.41 H new ATOM 0 HB1 ALA A 34 -9.795 12.146 18.887 1.00 21.33 H new ATOM 0 HB2 ALA A 34 -10.024 13.135 20.349 1.00 21.33 H new ATOM 0 HB3 ALA A 34 -11.349 12.108 19.753 1.00 21.33 H new ATOM 540 N LYS A 35 -12.874 12.894 17.400 1.00 33.32 N ATOM 541 CA LYS A 35 -13.578 12.358 16.241 1.00 41.53 C ATOM 542 C LYS A 35 -13.654 13.395 15.124 1.00 12.13 C ATOM 543 O LYS A 35 -13.831 13.050 13.956 1.00 2.15 O ATOM 544 CB LYS A 35 -14.988 11.913 16.635 1.00 40.12 C ATOM 545 CG LYS A 35 -15.090 10.433 16.958 1.00 72.52 C ATOM 546 CD LYS A 35 -14.106 10.029 18.043 1.00 40.31 C ATOM 547 CE LYS A 35 -12.889 9.328 17.459 1.00 33.51 C ATOM 548 NZ LYS A 35 -12.343 8.299 18.388 1.00 53.43 N ATOM 0 H LYS A 35 -13.415 12.880 18.265 1.00 33.32 H new ATOM 0 HA LYS A 35 -13.021 11.495 15.876 1.00 41.53 H new ATOM 0 HB2 LYS A 35 -15.313 12.489 17.502 1.00 40.12 H new ATOM 0 HB3 LYS A 35 -15.675 12.147 15.821 1.00 40.12 H new ATOM 0 HG2 LYS A 35 -16.105 10.199 17.281 1.00 72.52 H new ATOM 0 HG3 LYS A 35 -14.900 9.849 16.057 1.00 72.52 H new ATOM 0 HD2 LYS A 35 -13.788 10.914 18.595 1.00 40.31 H new ATOM 0 HD3 LYS A 35 -14.600 9.369 18.756 1.00 40.31 H new ATOM 0 HE2 LYS A 35 -13.160 8.857 16.514 1.00 33.51 H new ATOM 0 HE3 LYS A 35 -12.117 10.065 17.238 1.00 33.51 H new ATOM 0 HZ1 LYS A 35 -11.515 7.844 17.954 1.00 53.43 H new ATOM 0 HZ2 LYS A 35 -12.061 8.752 19.281 1.00 53.43 H new ATOM 0 HZ3 LYS A 35 -13.072 7.582 18.579 1.00 53.43 H new ATOM 562 N GLU A 36 -13.518 14.665 15.492 1.00 55.40 N ATOM 563 CA GLU A 36 -13.572 15.751 14.520 1.00 44.10 C ATOM 564 C GLU A 36 -12.510 15.567 13.440 1.00 64.22 C ATOM 565 O GLU A 36 -12.643 16.079 12.328 1.00 24.30 O ATOM 566 CB GLU A 36 -13.377 17.099 15.217 1.00 53.30 C ATOM 567 CG GLU A 36 -13.200 18.262 14.255 1.00 62.11 C ATOM 568 CD GLU A 36 -11.742 18.551 13.951 1.00 35.52 C ATOM 569 OE1 GLU A 36 -10.881 17.738 14.347 1.00 71.10 O ATOM 570 OE2 GLU A 36 -11.464 19.590 13.317 1.00 21.11 O ATOM 0 H GLU A 36 -13.370 14.967 16.455 1.00 55.40 H new ATOM 0 HA GLU A 36 -14.554 15.733 14.047 1.00 44.10 H new ATOM 0 HB2 GLU A 36 -14.237 17.295 15.857 1.00 53.30 H new ATOM 0 HB3 GLU A 36 -12.504 17.040 15.867 1.00 53.30 H new ATOM 0 HG2 GLU A 36 -13.725 18.043 13.325 1.00 62.11 H new ATOM 0 HG3 GLU A 36 -13.662 19.153 14.679 1.00 62.11 H new ATOM 577 N LYS A 37 -11.454 14.832 13.775 1.00 13.43 N ATOM 578 CA LYS A 37 -10.368 14.579 12.836 1.00 74.51 C ATOM 579 C LYS A 37 -10.759 13.499 11.832 1.00 70.14 C ATOM 580 O LYS A 37 -10.032 13.238 10.873 1.00 55.14 O ATOM 581 CB LYS A 37 -9.104 14.157 13.588 1.00 31.11 C ATOM 582 CG LYS A 37 -9.146 12.725 14.094 1.00 51.41 C ATOM 583 CD LYS A 37 -8.308 12.553 15.350 1.00 75.01 C ATOM 584 CE LYS A 37 -7.173 11.565 15.131 1.00 20.12 C ATOM 585 NZ LYS A 37 -6.809 10.851 16.387 1.00 55.04 N ATOM 0 H LYS A 37 -11.328 14.401 14.691 1.00 13.43 H new ATOM 0 HA LYS A 37 -10.168 15.502 12.292 1.00 74.51 H new ATOM 0 HB2 LYS A 37 -8.243 14.276 12.930 1.00 31.11 H new ATOM 0 HB3 LYS A 37 -8.954 14.828 14.434 1.00 31.11 H new ATOM 0 HG2 LYS A 37 -10.178 12.442 14.302 1.00 51.41 H new ATOM 0 HG3 LYS A 37 -8.781 12.053 13.317 1.00 51.41 H new ATOM 0 HD2 LYS A 37 -7.899 13.518 15.651 1.00 75.01 H new ATOM 0 HD3 LYS A 37 -8.941 12.206 16.167 1.00 75.01 H new ATOM 0 HE2 LYS A 37 -7.465 10.839 14.372 1.00 20.12 H new ATOM 0 HE3 LYS A 37 -6.300 12.094 14.748 1.00 20.12 H new ATOM 0 HZ1 LYS A 37 -6.032 10.187 16.196 1.00 55.04 H new ATOM 0 HZ2 LYS A 37 -6.506 11.541 17.103 1.00 55.04 H new ATOM 0 HZ3 LYS A 37 -7.635 10.326 16.739 1.00 55.04 H new ATOM 599 N ARG A 38 -11.911 12.876 12.058 1.00 62.43 N ATOM 600 CA ARG A 38 -12.397 11.825 11.172 1.00 35.31 C ATOM 601 C ARG A 38 -12.366 12.282 9.717 1.00 45.13 C ATOM 602 O ARG A 38 -12.181 11.475 8.805 1.00 13.43 O ATOM 603 CB ARG A 38 -13.821 11.420 11.560 1.00 51.43 C ATOM 604 CG ARG A 38 -14.347 10.224 10.784 1.00 70.03 C ATOM 605 CD ARG A 38 -15.759 9.858 11.213 1.00 12.43 C ATOM 606 NE ARG A 38 -15.886 8.437 11.523 1.00 74.24 N ATOM 607 CZ ARG A 38 -16.855 7.933 12.279 1.00 54.12 C ATOM 608 NH1 ARG A 38 -17.777 8.731 12.800 1.00 51.32 N ATOM 609 NH2 ARG A 38 -16.904 6.628 12.515 1.00 51.31 N ATOM 0 H ARG A 38 -12.525 13.081 12.847 1.00 62.43 H new ATOM 0 HA ARG A 38 -11.739 10.963 11.278 1.00 35.31 H new ATOM 0 HB2 ARG A 38 -13.847 11.191 12.625 1.00 51.43 H new ATOM 0 HB3 ARG A 38 -14.487 12.268 11.400 1.00 51.43 H new ATOM 0 HG2 ARG A 38 -14.336 10.448 9.717 1.00 70.03 H new ATOM 0 HG3 ARG A 38 -13.686 9.371 10.937 1.00 70.03 H new ATOM 0 HD2 ARG A 38 -16.036 10.446 12.088 1.00 12.43 H new ATOM 0 HD3 ARG A 38 -16.458 10.120 10.419 1.00 12.43 H new ATOM 0 HE ARG A 38 -15.192 7.796 11.138 1.00 74.24 H new ATOM 0 HH11 ARG A 38 -17.743 9.735 12.621 1.00 51.32 H new ATOM 0 HH12 ARG A 38 -18.520 8.341 13.380 1.00 51.32 H new ATOM 0 HH21 ARG A 38 -16.197 6.011 12.116 1.00 51.31 H new ATOM 0 HH22 ARG A 38 -17.649 6.242 13.096 1.00 51.31 H new ATOM 623 N VAL A 39 -12.547 13.582 9.506 1.00 1.12 N ATOM 624 CA VAL A 39 -12.538 14.147 8.162 1.00 13.32 C ATOM 625 C VAL A 39 -11.264 13.770 7.415 1.00 1.15 C ATOM 626 O VAL A 39 -11.228 13.780 6.186 1.00 71.44 O ATOM 627 CB VAL A 39 -12.664 15.682 8.198 1.00 11.00 C ATOM 628 CG1 VAL A 39 -12.603 16.256 6.791 1.00 75.13 C ATOM 629 CG2 VAL A 39 -13.951 16.094 8.896 1.00 54.52 C ATOM 0 H VAL A 39 -12.702 14.264 10.249 1.00 1.12 H new ATOM 0 HA VAL A 39 -13.399 13.731 7.638 1.00 13.32 H new ATOM 0 HB VAL A 39 -11.825 16.085 8.765 1.00 11.00 H new ATOM 0 HG11 VAL A 39 -12.694 17.341 6.837 1.00 75.13 H new ATOM 0 HG12 VAL A 39 -11.651 15.990 6.331 1.00 75.13 H new ATOM 0 HG13 VAL A 39 -13.420 15.848 6.196 1.00 75.13 H new ATOM 0 HG21 VAL A 39 -14.024 17.181 8.913 1.00 54.52 H new ATOM 0 HG22 VAL A 39 -14.805 15.681 8.358 1.00 54.52 H new ATOM 0 HG23 VAL A 39 -13.948 15.715 9.918 1.00 54.52 H new ATOM 639 N GLU A 40 -10.220 13.438 8.168 1.00 23.12 N ATOM 640 CA GLU A 40 -8.942 13.057 7.576 1.00 14.54 C ATOM 641 C GLU A 40 -9.080 11.773 6.765 1.00 60.51 C ATOM 642 O GLU A 40 -8.333 11.544 5.813 1.00 3.22 O ATOM 643 CB GLU A 40 -7.884 12.874 8.666 1.00 14.55 C ATOM 644 CG GLU A 40 -6.497 13.335 8.252 1.00 71.04 C ATOM 645 CD GLU A 40 -6.480 14.772 7.768 1.00 42.01 C ATOM 646 OE1 GLU A 40 -7.122 15.624 8.418 1.00 65.21 O ATOM 647 OE2 GLU A 40 -5.825 15.045 6.740 1.00 35.21 O ATOM 0 H GLU A 40 -10.234 13.425 9.188 1.00 23.12 H new ATOM 0 HA GLU A 40 -8.628 13.857 6.906 1.00 14.54 H new ATOM 0 HB2 GLU A 40 -8.191 13.426 9.555 1.00 14.55 H new ATOM 0 HB3 GLU A 40 -7.840 11.821 8.944 1.00 14.55 H new ATOM 0 HG2 GLU A 40 -5.817 13.232 9.097 1.00 71.04 H new ATOM 0 HG3 GLU A 40 -6.123 12.685 7.461 1.00 71.04 H new ATOM 654 N ILE A 41 -10.039 10.937 7.149 1.00 53.22 N ATOM 655 CA ILE A 41 -10.275 9.676 6.457 1.00 13.02 C ATOM 656 C ILE A 41 -10.562 9.906 4.977 1.00 22.22 C ATOM 657 O ILE A 41 -10.412 8.999 4.158 1.00 74.03 O ATOM 658 CB ILE A 41 -11.451 8.903 7.082 1.00 34.32 C ATOM 659 CG1 ILE A 41 -12.774 9.608 6.775 1.00 33.44 C ATOM 660 CG2 ILE A 41 -11.255 8.764 8.584 1.00 31.55 C ATOM 661 CD1 ILE A 41 -13.559 8.960 5.656 1.00 63.21 C ATOM 0 H ILE A 41 -10.665 11.110 7.935 1.00 53.22 H new ATOM 0 HA ILE A 41 -9.365 9.084 6.560 1.00 13.02 H new ATOM 0 HB ILE A 41 -11.483 7.905 6.646 1.00 34.32 H new ATOM 0 HG12 ILE A 41 -13.386 9.622 7.677 1.00 33.44 H new ATOM 0 HG13 ILE A 41 -12.571 10.646 6.511 1.00 33.44 H new ATOM 0 HG21 ILE A 41 -12.094 8.215 9.011 1.00 31.55 H new ATOM 0 HG22 ILE A 41 -10.330 8.223 8.782 1.00 31.55 H new ATOM 0 HG23 ILE A 41 -11.200 9.754 9.037 1.00 31.55 H new ATOM 0 HD11 ILE A 41 -14.484 9.512 5.493 1.00 63.21 H new ATOM 0 HD12 ILE A 41 -12.965 8.970 4.742 1.00 63.21 H new ATOM 0 HD13 ILE A 41 -13.794 7.930 5.925 1.00 63.21 H new ATOM 673 N ILE A 42 -10.972 11.124 4.642 1.00 13.30 N ATOM 674 CA ILE A 42 -11.277 11.474 3.260 1.00 3.01 C ATOM 675 C ILE A 42 -10.132 11.087 2.330 1.00 31.41 C ATOM 676 O ILE A 42 -10.349 10.774 1.160 1.00 65.52 O ATOM 677 CB ILE A 42 -11.558 12.981 3.110 1.00 70.34 C ATOM 678 CG1 ILE A 42 -12.172 13.273 1.739 1.00 72.30 C ATOM 679 CG2 ILE A 42 -10.278 13.780 3.304 1.00 54.41 C ATOM 680 CD1 ILE A 42 -11.148 13.604 0.676 1.00 31.11 C ATOM 0 H ILE A 42 -11.101 11.885 5.308 1.00 13.30 H new ATOM 0 HA ILE A 42 -12.172 10.916 2.983 1.00 3.01 H new ATOM 0 HB ILE A 42 -12.271 13.281 3.878 1.00 70.34 H new ATOM 0 HG12 ILE A 42 -12.751 12.407 1.417 1.00 72.30 H new ATOM 0 HG13 ILE A 42 -12.869 14.106 1.832 1.00 72.30 H new ATOM 0 HG21 ILE A 42 -10.493 14.843 3.195 1.00 54.41 H new ATOM 0 HG22 ILE A 42 -9.878 13.591 4.300 1.00 54.41 H new ATOM 0 HG23 ILE A 42 -9.545 13.479 2.556 1.00 54.41 H new ATOM 0 HD11 ILE A 42 -11.655 13.799 -0.269 1.00 31.11 H new ATOM 0 HD12 ILE A 42 -10.585 14.488 0.976 1.00 31.11 H new ATOM 0 HD13 ILE A 42 -10.465 12.763 0.554 1.00 31.11 H new ATOM 692 N ALA A 43 -8.913 11.108 2.860 1.00 54.53 N ATOM 693 CA ALA A 43 -7.734 10.756 2.078 1.00 35.34 C ATOM 694 C ALA A 43 -7.513 9.247 2.070 1.00 4.11 C ATOM 695 O ALA A 43 -7.219 8.660 1.029 1.00 3.14 O ATOM 696 CB ALA A 43 -6.506 11.469 2.625 1.00 74.22 C ATOM 0 H ALA A 43 -8.716 11.365 3.827 1.00 54.53 H new ATOM 0 HA ALA A 43 -7.899 11.079 1.050 1.00 35.34 H new ATOM 0 HB1 ALA A 43 -5.633 11.197 2.032 1.00 74.22 H new ATOM 0 HB2 ALA A 43 -6.658 12.547 2.574 1.00 74.22 H new ATOM 0 HB3 ALA A 43 -6.346 11.174 3.662 1.00 74.22 H new ATOM 702 N GLU A 44 -7.655 8.626 3.237 1.00 44.20 N ATOM 703 CA GLU A 44 -7.468 7.185 3.363 1.00 43.54 C ATOM 704 C GLU A 44 -8.398 6.432 2.417 1.00 72.42 C ATOM 705 O GLU A 44 -8.123 5.296 2.033 1.00 20.44 O ATOM 706 CB GLU A 44 -7.718 6.740 4.805 1.00 55.12 C ATOM 707 CG GLU A 44 -7.321 5.299 5.074 1.00 33.55 C ATOM 708 CD GLU A 44 -6.901 5.069 6.513 1.00 23.41 C ATOM 709 OE1 GLU A 44 -7.295 5.874 7.382 1.00 53.51 O ATOM 710 OE2 GLU A 44 -6.177 4.084 6.770 1.00 34.22 O ATOM 0 H GLU A 44 -7.899 9.098 4.108 1.00 44.20 H new ATOM 0 HA GLU A 44 -6.438 6.953 3.093 1.00 43.54 H new ATOM 0 HB2 GLU A 44 -7.163 7.393 5.479 1.00 55.12 H new ATOM 0 HB3 GLU A 44 -8.775 6.866 5.037 1.00 55.12 H new ATOM 0 HG2 GLU A 44 -8.159 4.644 4.835 1.00 33.55 H new ATOM 0 HG3 GLU A 44 -6.501 5.022 4.411 1.00 33.55 H new ATOM 717 N ASN A 45 -9.501 7.073 2.046 1.00 55.14 N ATOM 718 CA ASN A 45 -10.474 6.464 1.146 1.00 60.52 C ATOM 719 C ASN A 45 -10.753 7.370 -0.049 1.00 3.41 C ATOM 720 O ASN A 45 -11.749 8.092 -0.093 1.00 74.21 O ATOM 721 CB ASN A 45 -11.777 6.170 1.893 1.00 42.05 C ATOM 722 CG ASN A 45 -12.377 4.832 1.505 1.00 43.44 C ATOM 723 OD1 ASN A 45 -11.658 3.855 1.295 1.00 75.22 O ATOM 724 ND2 ASN A 45 -13.700 4.784 1.407 1.00 32.32 N ATOM 0 H ASN A 45 -9.744 8.014 2.355 1.00 55.14 H new ATOM 0 HA ASN A 45 -10.054 5.528 0.778 1.00 60.52 H new ATOM 0 HB2 ASN A 45 -11.588 6.183 2.966 1.00 42.05 H new ATOM 0 HB3 ASN A 45 -12.497 6.962 1.687 1.00 42.05 H new ATOM 0 HD21 ASN A 45 -14.161 3.912 1.148 1.00 32.32 H new ATOM 0 HD22 ASN A 45 -14.256 5.619 1.590 1.00 32.32 H new ATOM 731 N PRO A 46 -9.852 7.334 -1.042 1.00 72.13 N ATOM 732 CA PRO A 46 -9.980 8.145 -2.257 1.00 3.24 C ATOM 733 C PRO A 46 -11.126 7.679 -3.147 1.00 53.32 C ATOM 734 O PRO A 46 -11.460 8.332 -4.136 1.00 33.43 O ATOM 735 CB PRO A 46 -8.637 7.940 -2.963 1.00 10.44 C ATOM 736 CG PRO A 46 -8.149 6.621 -2.472 1.00 44.14 C ATOM 737 CD PRO A 46 -8.640 6.497 -1.057 1.00 14.42 C ATOM 0 HA PRO A 46 -10.203 9.187 -2.030 1.00 3.24 H new ATOM 0 HB2 PRO A 46 -8.755 7.940 -4.047 1.00 10.44 H new ATOM 0 HB3 PRO A 46 -7.935 8.738 -2.719 1.00 10.44 H new ATOM 0 HG2 PRO A 46 -8.532 5.809 -3.090 1.00 44.14 H new ATOM 0 HG3 PRO A 46 -7.061 6.568 -2.513 1.00 44.14 H new ATOM 0 HD2 PRO A 46 -8.863 5.462 -0.798 1.00 14.42 H new ATOM 0 HD3 PRO A 46 -7.898 6.851 -0.342 1.00 14.42 H new ATOM 745 N GLU A 47 -11.725 6.548 -2.790 1.00 33.43 N ATOM 746 CA GLU A 47 -12.835 5.995 -3.558 1.00 43.52 C ATOM 747 C GLU A 47 -14.031 6.943 -3.544 1.00 60.22 C ATOM 748 O GLU A 47 -14.557 7.310 -4.595 1.00 52.21 O ATOM 749 CB GLU A 47 -13.244 4.632 -2.998 1.00 24.33 C ATOM 750 CG GLU A 47 -13.989 3.762 -3.996 1.00 60.10 C ATOM 751 CD GLU A 47 -13.087 3.225 -5.090 1.00 44.31 C ATOM 752 OE1 GLU A 47 -11.935 3.696 -5.194 1.00 23.10 O ATOM 753 OE2 GLU A 47 -13.533 2.334 -5.842 1.00 70.14 O ATOM 0 H GLU A 47 -11.461 5.996 -1.974 1.00 33.43 H new ATOM 0 HA GLU A 47 -12.503 5.870 -4.589 1.00 43.52 H new ATOM 0 HB2 GLU A 47 -12.351 4.103 -2.664 1.00 24.33 H new ATOM 0 HB3 GLU A 47 -13.873 4.783 -2.120 1.00 24.33 H new ATOM 0 HG2 GLU A 47 -14.452 2.927 -3.470 1.00 60.10 H new ATOM 0 HG3 GLU A 47 -14.795 4.341 -4.447 1.00 60.10 H new ATOM 760 N ILE A 48 -14.455 7.333 -2.347 1.00 1.30 N ATOM 761 CA ILE A 48 -15.588 8.238 -2.196 1.00 20.41 C ATOM 762 C ILE A 48 -15.121 9.672 -1.975 1.00 3.21 C ATOM 763 O ILE A 48 -15.925 10.562 -1.700 1.00 42.33 O ATOM 764 CB ILE A 48 -16.491 7.817 -1.021 1.00 52.15 C ATOM 765 CG1 ILE A 48 -15.984 8.430 0.286 1.00 64.45 C ATOM 766 CG2 ILE A 48 -16.549 6.301 -0.915 1.00 32.44 C ATOM 767 CD1 ILE A 48 -14.536 8.107 0.582 1.00 44.24 C ATOM 0 H ILE A 48 -14.031 7.037 -1.468 1.00 1.30 H new ATOM 0 HA ILE A 48 -16.161 8.184 -3.122 1.00 20.41 H new ATOM 0 HB ILE A 48 -17.499 8.187 -1.206 1.00 52.15 H new ATOM 0 HG12 ILE A 48 -16.105 9.512 0.241 1.00 64.45 H new ATOM 0 HG13 ILE A 48 -16.603 8.074 1.109 1.00 64.45 H new ATOM 0 HG21 ILE A 48 -17.191 6.019 -0.080 1.00 32.44 H new ATOM 0 HG22 ILE A 48 -16.952 5.887 -1.839 1.00 32.44 H new ATOM 0 HG23 ILE A 48 -15.545 5.909 -0.750 1.00 32.44 H new ATOM 0 HD11 ILE A 48 -14.244 8.574 1.523 1.00 44.24 H new ATOM 0 HD12 ILE A 48 -14.413 7.027 0.659 1.00 44.24 H new ATOM 0 HD13 ILE A 48 -13.907 8.488 -0.222 1.00 44.24 H new ATOM 779 N ALA A 49 -13.815 9.889 -2.098 1.00 54.23 N ATOM 780 CA ALA A 49 -13.241 11.216 -1.916 1.00 0.41 C ATOM 781 C ALA A 49 -13.672 12.159 -3.034 1.00 41.51 C ATOM 782 O ALA A 49 -13.871 13.354 -2.811 1.00 72.21 O ATOM 783 CB ALA A 49 -11.723 11.130 -1.851 1.00 53.31 C ATOM 0 H ALA A 49 -13.135 9.163 -2.323 1.00 54.23 H new ATOM 0 HA ALA A 49 -13.612 11.619 -0.974 1.00 0.41 H new ATOM 0 HB1 ALA A 49 -11.308 12.128 -1.715 1.00 53.31 H new ATOM 0 HB2 ALA A 49 -11.430 10.498 -1.013 1.00 53.31 H new ATOM 0 HB3 ALA A 49 -11.343 10.702 -2.779 1.00 53.31 H new ATOM 789 N LYS A 50 -13.814 11.616 -4.238 1.00 43.03 N ATOM 790 CA LYS A 50 -14.222 12.408 -5.392 1.00 44.15 C ATOM 791 C LYS A 50 -15.706 12.216 -5.687 1.00 62.43 C ATOM 792 O LYS A 50 -16.133 12.285 -6.840 1.00 34.13 O ATOM 793 CB LYS A 50 -13.393 12.023 -6.620 1.00 22.11 C ATOM 794 CG LYS A 50 -12.022 12.677 -6.658 1.00 33.31 C ATOM 795 CD LYS A 50 -11.126 12.033 -7.703 1.00 32.14 C ATOM 796 CE LYS A 50 -10.538 10.723 -7.201 1.00 61.14 C ATOM 797 NZ LYS A 50 -9.212 10.439 -7.817 1.00 71.31 N ATOM 0 H LYS A 50 -13.652 10.629 -4.440 1.00 43.03 H new ATOM 0 HA LYS A 50 -14.049 13.459 -5.159 1.00 44.15 H new ATOM 0 HB2 LYS A 50 -13.270 10.940 -6.640 1.00 22.11 H new ATOM 0 HB3 LYS A 50 -13.943 12.298 -7.520 1.00 22.11 H new ATOM 0 HG2 LYS A 50 -12.131 13.740 -6.875 1.00 33.31 H new ATOM 0 HG3 LYS A 50 -11.553 12.599 -5.677 1.00 33.31 H new ATOM 0 HD2 LYS A 50 -11.698 11.851 -8.613 1.00 32.14 H new ATOM 0 HD3 LYS A 50 -10.320 12.718 -7.965 1.00 32.14 H new ATOM 0 HE2 LYS A 50 -10.434 10.763 -6.117 1.00 61.14 H new ATOM 0 HE3 LYS A 50 -11.225 9.907 -7.425 1.00 61.14 H new ATOM 0 HZ1 LYS A 50 -8.844 9.538 -7.450 1.00 71.31 H new ATOM 0 HZ2 LYS A 50 -9.316 10.375 -8.850 1.00 71.31 H new ATOM 0 HZ3 LYS A 50 -8.549 11.205 -7.582 1.00 71.31 H new ATOM 811 N ASP A 51 -16.486 11.975 -4.639 1.00 51.35 N ATOM 812 CA ASP A 51 -17.923 11.776 -4.786 1.00 72.51 C ATOM 813 C ASP A 51 -18.673 13.096 -4.642 1.00 42.34 C ATOM 814 O ASP A 51 -18.882 13.586 -3.532 1.00 44.25 O ATOM 815 CB ASP A 51 -18.429 10.772 -3.748 1.00 43.32 C ATOM 816 CG ASP A 51 -18.148 9.337 -4.146 1.00 21.41 C ATOM 817 OD1 ASP A 51 -17.435 9.127 -5.150 1.00 4.33 O ATOM 818 OD2 ASP A 51 -18.641 8.422 -3.453 1.00 43.20 O ATOM 0 H ASP A 51 -16.147 11.913 -3.679 1.00 51.35 H new ATOM 0 HA ASP A 51 -18.109 11.381 -5.785 1.00 72.51 H new ATOM 0 HB2 ASP A 51 -17.958 10.978 -2.787 1.00 43.32 H new ATOM 0 HB3 ASP A 51 -19.502 10.905 -3.612 1.00 43.32 H new ATOM 823 N VAL A 52 -19.075 13.669 -5.773 1.00 23.12 N ATOM 824 CA VAL A 52 -19.801 14.933 -5.773 1.00 51.02 C ATOM 825 C VAL A 52 -21.274 14.720 -5.444 1.00 14.42 C ATOM 826 O VAL A 52 -21.948 15.625 -4.952 1.00 3.24 O ATOM 827 CB VAL A 52 -19.688 15.645 -7.134 1.00 73.35 C ATOM 828 CG1 VAL A 52 -20.315 14.799 -8.233 1.00 3.12 C ATOM 829 CG2 VAL A 52 -20.338 17.019 -7.072 1.00 61.13 C ATOM 0 H VAL A 52 -18.910 13.277 -6.700 1.00 23.12 H new ATOM 0 HA VAL A 52 -19.347 15.559 -5.005 1.00 51.02 H new ATOM 0 HB VAL A 52 -18.632 15.778 -7.368 1.00 73.35 H new ATOM 0 HG11 VAL A 52 -20.226 15.318 -9.187 1.00 3.12 H new ATOM 0 HG12 VAL A 52 -19.801 13.840 -8.292 1.00 3.12 H new ATOM 0 HG13 VAL A 52 -21.368 14.632 -8.008 1.00 3.12 H new ATOM 0 HG21 VAL A 52 -20.249 17.508 -8.042 1.00 61.13 H new ATOM 0 HG22 VAL A 52 -21.392 16.912 -6.815 1.00 61.13 H new ATOM 0 HG23 VAL A 52 -19.840 17.623 -6.314 1.00 61.13 H new ATOM 839 N ALA A 53 -21.769 13.518 -5.718 1.00 62.25 N ATOM 840 CA ALA A 53 -23.162 13.185 -5.449 1.00 31.11 C ATOM 841 C ALA A 53 -23.368 12.833 -3.980 1.00 31.04 C ATOM 842 O ALA A 53 -24.466 12.982 -3.444 1.00 20.00 O ATOM 843 CB ALA A 53 -23.611 12.034 -6.337 1.00 51.12 C ATOM 0 H ALA A 53 -21.225 12.758 -6.127 1.00 62.25 H new ATOM 0 HA ALA A 53 -23.769 14.062 -5.675 1.00 31.11 H new ATOM 0 HB1 ALA A 53 -24.653 11.796 -6.125 1.00 51.12 H new ATOM 0 HB2 ALA A 53 -23.510 12.321 -7.384 1.00 51.12 H new ATOM 0 HB3 ALA A 53 -22.992 11.159 -6.139 1.00 51.12 H new ATOM 849 N ALA A 54 -22.305 12.365 -3.333 1.00 74.34 N ATOM 850 CA ALA A 54 -22.370 11.993 -1.925 1.00 61.15 C ATOM 851 C ALA A 54 -22.851 13.161 -1.071 1.00 23.42 C ATOM 852 O ALA A 54 -23.390 12.964 0.018 1.00 34.34 O ATOM 853 CB ALA A 54 -21.010 11.509 -1.445 1.00 1.15 C ATOM 0 H ALA A 54 -21.389 12.235 -3.762 1.00 74.34 H new ATOM 0 HA ALA A 54 -23.090 11.181 -1.821 1.00 61.15 H new ATOM 0 HB1 ALA A 54 -21.072 11.234 -0.392 1.00 1.15 H new ATOM 0 HB2 ALA A 54 -20.706 10.640 -2.029 1.00 1.15 H new ATOM 0 HB3 ALA A 54 -20.276 12.305 -1.569 1.00 1.15 H new ATOM 859 N ILE A 55 -22.651 14.375 -1.571 1.00 1.43 N ATOM 860 CA ILE A 55 -23.065 15.574 -0.852 1.00 41.23 C ATOM 861 C ILE A 55 -24.578 15.755 -0.911 1.00 2.23 C ATOM 862 O ILE A 55 -25.172 16.388 -0.039 1.00 0.10 O ATOM 863 CB ILE A 55 -22.386 16.834 -1.421 1.00 51.14 C ATOM 864 CG1 ILE A 55 -20.864 16.697 -1.348 1.00 41.02 C ATOM 865 CG2 ILE A 55 -22.849 18.072 -0.667 1.00 22.50 C ATOM 866 CD1 ILE A 55 -20.233 16.259 -2.651 1.00 74.25 C ATOM 0 H ILE A 55 -22.205 14.555 -2.471 1.00 1.43 H new ATOM 0 HA ILE A 55 -22.757 15.442 0.185 1.00 41.23 H new ATOM 0 HB ILE A 55 -22.672 16.942 -2.467 1.00 51.14 H new ATOM 0 HG12 ILE A 55 -20.435 17.654 -1.050 1.00 41.02 H new ATOM 0 HG13 ILE A 55 -20.609 15.977 -0.570 1.00 41.02 H new ATOM 0 HG21 ILE A 55 -22.360 18.954 -1.081 1.00 22.50 H new ATOM 0 HG22 ILE A 55 -23.930 18.176 -0.766 1.00 22.50 H new ATOM 0 HG23 ILE A 55 -22.589 17.974 0.387 1.00 22.50 H new ATOM 0 HD11 ILE A 55 -19.153 16.183 -2.525 1.00 74.25 H new ATOM 0 HD12 ILE A 55 -20.634 15.288 -2.941 1.00 74.25 H new ATOM 0 HD13 ILE A 55 -20.457 16.990 -3.428 1.00 74.25 H new ATOM 878 N GLY A 56 -25.196 15.193 -1.945 1.00 34.34 N ATOM 879 CA GLY A 56 -26.635 15.302 -2.097 1.00 75.30 C ATOM 880 C GLY A 56 -27.384 14.249 -1.303 1.00 41.25 C ATOM 881 O GLY A 56 -28.488 14.495 -0.818 1.00 55.03 O ATOM 0 H GLY A 56 -24.726 14.664 -2.680 1.00 34.34 H new ATOM 0 HA2 GLY A 56 -26.957 16.292 -1.775 1.00 75.30 H new ATOM 0 HA3 GLY A 56 -26.894 15.210 -3.152 1.00 75.30 H new ATOM 885 N LYS A 57 -26.783 13.072 -1.171 1.00 61.44 N ATOM 886 CA LYS A 57 -27.399 11.976 -0.432 1.00 2.32 C ATOM 887 C LYS A 57 -27.135 12.114 1.064 1.00 23.22 C ATOM 888 O LYS A 57 -27.882 11.585 1.887 1.00 63.22 O ATOM 889 CB LYS A 57 -26.866 10.632 -0.933 1.00 52.11 C ATOM 890 CG LYS A 57 -25.458 10.319 -0.456 1.00 54.51 C ATOM 891 CD LYS A 57 -24.981 8.972 -0.972 1.00 13.14 C ATOM 892 CE LYS A 57 -24.858 8.967 -2.488 1.00 5.35 C ATOM 893 NZ LYS A 57 -24.162 7.747 -2.983 1.00 55.24 N ATOM 0 H LYS A 57 -25.869 12.852 -1.566 1.00 61.44 H new ATOM 0 HA LYS A 57 -28.475 12.017 -0.599 1.00 2.32 H new ATOM 0 HB2 LYS A 57 -27.537 9.839 -0.603 1.00 52.11 H new ATOM 0 HB3 LYS A 57 -26.880 10.629 -2.023 1.00 52.11 H new ATOM 0 HG2 LYS A 57 -24.777 11.101 -0.792 1.00 54.51 H new ATOM 0 HG3 LYS A 57 -25.433 10.322 0.634 1.00 54.51 H new ATOM 0 HD2 LYS A 57 -24.015 8.732 -0.527 1.00 13.14 H new ATOM 0 HD3 LYS A 57 -25.678 8.194 -0.660 1.00 13.14 H new ATOM 0 HE2 LYS A 57 -25.851 9.025 -2.933 1.00 5.35 H new ATOM 0 HE3 LYS A 57 -24.312 9.853 -2.811 1.00 5.35 H new ATOM 0 HZ1 LYS A 57 -24.098 7.781 -4.020 1.00 55.24 H new ATOM 0 HZ2 LYS A 57 -23.205 7.705 -2.578 1.00 55.24 H new ATOM 0 HZ3 LYS A 57 -24.696 6.902 -2.697 1.00 55.24 H new ATOM 907 N MET A 58 -26.069 12.828 1.409 1.00 5.31 N ATOM 908 CA MET A 58 -25.708 13.037 2.807 1.00 55.13 C ATOM 909 C MET A 58 -26.901 13.556 3.604 1.00 40.33 C ATOM 910 O MET A 58 -27.021 13.293 4.800 1.00 34.35 O ATOM 911 CB MET A 58 -24.542 14.021 2.914 1.00 64.25 C ATOM 912 CG MET A 58 -24.969 15.479 2.862 1.00 70.44 C ATOM 913 SD MET A 58 -23.581 16.601 2.607 1.00 61.33 S ATOM 914 CE MET A 58 -24.029 17.947 3.699 1.00 12.51 C ATOM 0 H MET A 58 -25.440 13.272 0.740 1.00 5.31 H new ATOM 0 HA MET A 58 -25.403 12.078 3.225 1.00 55.13 H new ATOM 0 HB2 MET A 58 -24.010 13.840 3.848 1.00 64.25 H new ATOM 0 HB3 MET A 58 -23.839 13.828 2.104 1.00 64.25 H new ATOM 0 HG2 MET A 58 -25.692 15.613 2.057 1.00 70.44 H new ATOM 0 HG3 MET A 58 -25.475 15.739 3.792 1.00 70.44 H new ATOM 0 HE1 MET A 58 -23.265 18.723 3.652 1.00 12.51 H new ATOM 0 HE2 MET A 58 -24.988 18.363 3.390 1.00 12.51 H new ATOM 0 HE3 MET A 58 -24.107 17.576 4.721 1.00 12.51 H new ATOM 924 N ILE A 59 -27.779 14.295 2.933 1.00 23.30 N ATOM 925 CA ILE A 59 -28.962 14.850 3.579 1.00 25.54 C ATOM 926 C ILE A 59 -29.751 13.765 4.305 1.00 53.24 C ATOM 927 O ILE A 59 -29.908 13.807 5.524 1.00 55.40 O ATOM 928 CB ILE A 59 -29.884 15.547 2.562 1.00 2.34 C ATOM 929 CG1 ILE A 59 -29.129 16.665 1.840 1.00 12.30 C ATOM 930 CG2 ILE A 59 -31.119 16.099 3.259 1.00 70.42 C ATOM 931 CD1 ILE A 59 -28.567 17.715 2.772 1.00 0.35 C ATOM 0 H ILE A 59 -27.693 14.523 1.943 1.00 23.30 H new ATOM 0 HA ILE A 59 -28.611 15.586 4.302 1.00 25.54 H new ATOM 0 HB ILE A 59 -30.205 14.814 1.822 1.00 2.34 H new ATOM 0 HG12 ILE A 59 -28.313 16.228 1.264 1.00 12.30 H new ATOM 0 HG13 ILE A 59 -29.801 17.145 1.128 1.00 12.30 H new ATOM 0 HG21 ILE A 59 -31.761 16.589 2.527 1.00 70.42 H new ATOM 0 HG22 ILE A 59 -31.665 15.283 3.732 1.00 70.42 H new ATOM 0 HG23 ILE A 59 -30.817 16.821 4.017 1.00 70.42 H new ATOM 0 HD11 ILE A 59 -28.045 18.475 2.191 1.00 0.35 H new ATOM 0 HD12 ILE A 59 -29.380 18.179 3.330 1.00 0.35 H new ATOM 0 HD13 ILE A 59 -27.870 17.248 3.468 1.00 0.35 H new ATOM 943 N GLY A 60 -30.245 12.792 3.545 1.00 54.22 N ATOM 944 CA GLY A 60 -31.012 11.709 4.132 1.00 24.24 C ATOM 945 C GLY A 60 -30.162 10.802 5.001 1.00 41.14 C ATOM 946 O GLY A 60 -30.680 10.095 5.865 1.00 41.44 O ATOM 0 H GLY A 60 -30.128 12.735 2.533 1.00 54.22 H new ATOM 0 HA2 GLY A 60 -31.823 12.125 4.730 1.00 24.24 H new ATOM 0 HA3 GLY A 60 -31.471 11.120 3.338 1.00 24.24 H new ATOM 950 N ALA A 61 -28.853 10.821 4.770 1.00 73.22 N ATOM 951 CA ALA A 61 -27.930 9.994 5.538 1.00 52.52 C ATOM 952 C ALA A 61 -27.635 10.620 6.897 1.00 64.51 C ATOM 953 O ALA A 61 -27.180 9.941 7.817 1.00 22.31 O ATOM 954 CB ALA A 61 -26.640 9.782 4.760 1.00 3.42 C ATOM 0 H ALA A 61 -28.408 11.400 4.058 1.00 73.22 H new ATOM 0 HA ALA A 61 -28.401 9.026 5.708 1.00 52.52 H new ATOM 0 HB1 ALA A 61 -25.960 9.163 5.345 1.00 3.42 H new ATOM 0 HB2 ALA A 61 -26.862 9.285 3.816 1.00 3.42 H new ATOM 0 HB3 ALA A 61 -26.172 10.746 4.561 1.00 3.42 H new ATOM 960 N ALA A 62 -27.895 11.917 7.016 1.00 52.35 N ATOM 961 CA ALA A 62 -27.658 12.633 8.263 1.00 51.22 C ATOM 962 C ALA A 62 -28.350 11.942 9.433 1.00 63.32 C ATOM 963 O ALA A 62 -27.713 11.603 10.430 1.00 24.21 O ATOM 964 CB ALA A 62 -28.133 14.074 8.143 1.00 31.31 C ATOM 0 H ALA A 62 -28.270 12.494 6.263 1.00 52.35 H new ATOM 0 HA ALA A 62 -26.585 12.630 8.456 1.00 51.22 H new ATOM 0 HB1 ALA A 62 -27.950 14.597 9.082 1.00 31.31 H new ATOM 0 HB2 ALA A 62 -27.590 14.570 7.339 1.00 31.31 H new ATOM 0 HB3 ALA A 62 -29.200 14.088 7.922 1.00 31.31 H new ATOM 970 N TRP A 63 -29.655 11.736 9.304 1.00 14.21 N ATOM 971 CA TRP A 63 -30.433 11.085 10.352 1.00 14.32 C ATOM 972 C TRP A 63 -29.927 9.670 10.606 1.00 33.32 C ATOM 973 O TRP A 63 -30.023 9.158 11.721 1.00 64.43 O ATOM 974 CB TRP A 63 -31.914 11.050 9.969 1.00 21.05 C ATOM 975 CG TRP A 63 -32.470 12.398 9.623 1.00 71.22 C ATOM 976 CD1 TRP A 63 -32.399 13.533 10.379 1.00 45.14 C ATOM 977 CD2 TRP A 63 -33.184 12.750 8.433 1.00 35.10 C ATOM 978 NE1 TRP A 63 -33.025 14.570 9.730 1.00 34.22 N ATOM 979 CE2 TRP A 63 -33.515 14.115 8.534 1.00 10.53 C ATOM 980 CE3 TRP A 63 -33.575 12.045 7.291 1.00 11.42 C ATOM 981 CZ2 TRP A 63 -34.218 14.787 7.538 1.00 72.35 C ATOM 982 CZ3 TRP A 63 -34.273 12.713 6.303 1.00 72.00 C ATOM 983 CH2 TRP A 63 -34.588 14.072 6.431 1.00 52.34 C ATOM 0 H TRP A 63 -30.197 12.010 8.485 1.00 14.21 H new ATOM 0 HA TRP A 63 -30.316 11.662 11.269 1.00 14.32 H new ATOM 0 HB2 TRP A 63 -32.046 10.381 9.119 1.00 21.05 H new ATOM 0 HB3 TRP A 63 -32.486 10.630 10.796 1.00 21.05 H new ATOM 0 HD1 TRP A 63 -31.921 13.605 11.345 1.00 45.14 H new ATOM 0 HE1 TRP A 63 -33.111 15.524 10.082 1.00 34.22 H new ATOM 0 HE3 TRP A 63 -33.336 10.997 7.183 1.00 11.42 H new ATOM 0 HZ2 TRP A 63 -34.463 15.834 7.635 1.00 72.35 H new ATOM 0 HZ3 TRP A 63 -34.581 12.178 5.417 1.00 72.00 H new ATOM 0 HH2 TRP A 63 -35.134 14.565 5.640 1.00 52.34 H new ATOM 994 N ASN A 64 -29.389 9.043 9.565 1.00 20.44 N ATOM 995 CA ASN A 64 -28.868 7.685 9.677 1.00 70.11 C ATOM 996 C ASN A 64 -27.371 7.699 9.973 1.00 54.24 C ATOM 997 O ASN A 64 -26.701 6.672 9.882 1.00 64.54 O ATOM 998 CB ASN A 64 -29.137 6.906 8.388 1.00 72.30 C ATOM 999 CG ASN A 64 -30.575 7.034 7.924 1.00 34.14 C ATOM 1000 OD1 ASN A 64 -31.487 7.208 8.733 1.00 22.05 O ATOM 1001 ND2 ASN A 64 -30.785 6.948 6.616 1.00 40.01 N ATOM 0 H ASN A 64 -29.302 9.453 8.635 1.00 20.44 H new ATOM 0 HA ASN A 64 -29.379 7.193 10.505 1.00 70.11 H new ATOM 0 HB2 ASN A 64 -28.472 7.266 7.603 1.00 72.30 H new ATOM 0 HB3 ASN A 64 -28.902 5.854 8.547 1.00 72.30 H new ATOM 0 HD21 ASN A 64 -31.732 7.027 6.245 1.00 40.01 H new ATOM 0 HD22 ASN A 64 -29.999 6.803 5.982 1.00 40.01 H new ATOM 1008 N ALA A 65 -26.855 8.871 10.328 1.00 51.24 N ATOM 1009 CA ALA A 65 -25.439 9.019 10.639 1.00 1.14 C ATOM 1010 C ALA A 65 -25.105 8.389 11.987 1.00 1.34 C ATOM 1011 O ALA A 65 -24.033 7.810 12.165 1.00 64.42 O ATOM 1012 CB ALA A 65 -25.047 10.489 10.630 1.00 12.31 C ATOM 0 H ALA A 65 -27.397 9.732 10.407 1.00 51.24 H new ATOM 0 HA ALA A 65 -24.867 8.497 9.871 1.00 1.14 H new ATOM 0 HB1 ALA A 65 -23.987 10.584 10.864 1.00 12.31 H new ATOM 0 HB2 ALA A 65 -25.240 10.911 9.644 1.00 12.31 H new ATOM 0 HB3 ALA A 65 -25.633 11.026 11.376 1.00 12.31 H new ATOM 1018 N LEU A 66 -26.028 8.507 12.935 1.00 33.10 N ATOM 1019 CA LEU A 66 -25.831 7.949 14.269 1.00 55.14 C ATOM 1020 C LEU A 66 -26.182 6.465 14.295 1.00 34.03 C ATOM 1021 O LEU A 66 -26.601 5.898 13.286 1.00 33.34 O ATOM 1022 CB LEU A 66 -26.684 8.705 15.290 1.00 65.22 C ATOM 1023 CG LEU A 66 -26.002 9.877 15.996 1.00 10.41 C ATOM 1024 CD1 LEU A 66 -24.778 9.401 16.762 1.00 64.42 C ATOM 1025 CD2 LEU A 66 -25.619 10.955 14.992 1.00 13.12 C ATOM 0 H LEU A 66 -26.920 8.984 12.805 1.00 33.10 H new ATOM 0 HA LEU A 66 -24.779 8.059 14.531 1.00 55.14 H new ATOM 0 HB2 LEU A 66 -27.574 9.079 14.784 1.00 65.22 H new ATOM 0 HB3 LEU A 66 -27.022 7.997 16.047 1.00 65.22 H new ATOM 0 HG LEU A 66 -26.707 10.306 16.709 1.00 10.41 H new ATOM 0 HD11 LEU A 66 -24.306 10.249 17.258 1.00 64.42 H new ATOM 0 HD12 LEU A 66 -25.079 8.666 17.509 1.00 64.42 H new ATOM 0 HD13 LEU A 66 -24.070 8.946 16.070 1.00 64.42 H new ATOM 0 HD21 LEU A 66 -25.135 11.781 15.512 1.00 13.12 H new ATOM 0 HD22 LEU A 66 -24.933 10.538 14.255 1.00 13.12 H new ATOM 0 HD23 LEU A 66 -26.515 11.318 14.489 1.00 13.12 H new ATOM 1037 N SER A 67 -26.010 5.842 15.457 1.00 15.30 N ATOM 1038 CA SER A 67 -26.308 4.423 15.615 1.00 5.51 C ATOM 1039 C SER A 67 -27.787 4.147 15.365 1.00 61.14 C ATOM 1040 O SER A 67 -28.645 4.972 15.676 1.00 15.43 O ATOM 1041 CB SER A 67 -25.919 3.953 17.018 1.00 35.21 C ATOM 1042 OG SER A 67 -25.818 2.540 17.072 1.00 12.34 O ATOM 0 H SER A 67 -25.666 6.297 16.302 1.00 15.30 H new ATOM 0 HA SER A 67 -25.725 3.870 14.879 1.00 5.51 H new ATOM 0 HB2 SER A 67 -24.967 4.400 17.304 1.00 35.21 H new ATOM 0 HB3 SER A 67 -26.661 4.296 17.739 1.00 35.21 H new ATOM 0 HG SER A 67 -25.567 2.264 17.978 1.00 12.34 H new ATOM 1048 N ASP A 68 -28.077 2.980 14.800 1.00 45.14 N ATOM 1049 CA ASP A 68 -29.452 2.593 14.507 1.00 23.54 C ATOM 1050 C ASP A 68 -30.201 2.241 15.789 1.00 52.13 C ATOM 1051 O ASP A 68 -31.292 2.751 16.040 1.00 54.31 O ATOM 1052 CB ASP A 68 -29.476 1.404 13.545 1.00 24.34 C ATOM 1053 CG ASP A 68 -29.149 1.805 12.120 1.00 12.34 C ATOM 1054 OD1 ASP A 68 -27.951 1.968 11.809 1.00 4.02 O ATOM 1055 OD2 ASP A 68 -30.092 1.956 11.316 1.00 33.02 O ATOM 0 H ASP A 68 -27.378 2.286 14.536 1.00 45.14 H new ATOM 0 HA ASP A 68 -29.950 3.441 14.037 1.00 23.54 H new ATOM 0 HB2 ASP A 68 -28.760 0.654 13.881 1.00 24.34 H new ATOM 0 HB3 ASP A 68 -30.461 0.939 13.571 1.00 24.34 H new ATOM 1060 N GLU A 69 -29.608 1.366 16.594 1.00 22.14 N ATOM 1061 CA GLU A 69 -30.221 0.945 17.849 1.00 53.34 C ATOM 1062 C GLU A 69 -30.495 2.146 18.750 1.00 63.00 C ATOM 1063 O GLU A 69 -31.416 2.125 19.565 1.00 54.40 O ATOM 1064 CB GLU A 69 -29.319 -0.055 18.573 1.00 24.23 C ATOM 1065 CG GLU A 69 -28.017 0.550 19.072 1.00 61.50 C ATOM 1066 CD GLU A 69 -27.037 -0.499 19.562 1.00 45.44 C ATOM 1067 OE1 GLU A 69 -27.155 -0.923 20.730 1.00 72.01 O ATOM 1068 OE2 GLU A 69 -26.150 -0.894 18.775 1.00 34.44 O ATOM 0 H GLU A 69 -28.704 0.935 16.400 1.00 22.14 H new ATOM 0 HA GLU A 69 -31.171 0.463 17.616 1.00 53.34 H new ATOM 0 HB2 GLU A 69 -29.862 -0.475 19.419 1.00 24.23 H new ATOM 0 HB3 GLU A 69 -29.091 -0.881 17.899 1.00 24.23 H new ATOM 0 HG2 GLU A 69 -27.556 1.125 18.269 1.00 61.50 H new ATOM 0 HG3 GLU A 69 -28.231 1.248 19.881 1.00 61.50 H new ATOM 1075 N GLU A 70 -29.686 3.190 18.597 1.00 72.03 N ATOM 1076 CA GLU A 70 -29.840 4.399 19.398 1.00 72.34 C ATOM 1077 C GLU A 70 -30.682 5.436 18.661 1.00 51.35 C ATOM 1078 O GLU A 70 -30.967 6.511 19.189 1.00 4.21 O ATOM 1079 CB GLU A 70 -28.470 4.988 19.741 1.00 73.22 C ATOM 1080 CG GLU A 70 -28.293 5.296 21.218 1.00 30.01 C ATOM 1081 CD GLU A 70 -28.455 4.068 22.094 1.00 42.55 C ATOM 1082 OE1 GLU A 70 -27.462 3.332 22.271 1.00 62.13 O ATOM 1083 OE2 GLU A 70 -29.573 3.844 22.601 1.00 13.10 O ATOM 0 H GLU A 70 -28.918 3.223 17.926 1.00 72.03 H new ATOM 0 HA GLU A 70 -30.353 4.130 20.321 1.00 72.34 H new ATOM 0 HB2 GLU A 70 -27.695 4.288 19.429 1.00 73.22 H new ATOM 0 HB3 GLU A 70 -28.323 5.903 19.167 1.00 73.22 H new ATOM 0 HG2 GLU A 70 -27.304 5.725 21.380 1.00 30.01 H new ATOM 0 HG3 GLU A 70 -29.021 6.050 21.518 1.00 30.01 H new ATOM 1090 N LYS A 71 -31.077 5.107 17.436 1.00 74.44 N ATOM 1091 CA LYS A 71 -31.887 6.008 16.624 1.00 71.50 C ATOM 1092 C LYS A 71 -33.374 5.790 16.888 1.00 64.32 C ATOM 1093 O LYS A 71 -34.211 6.600 16.491 1.00 43.44 O ATOM 1094 CB LYS A 71 -31.586 5.798 15.138 1.00 1.42 C ATOM 1095 CG LYS A 71 -32.430 6.664 14.219 1.00 60.02 C ATOM 1096 CD LYS A 71 -33.513 5.852 13.528 1.00 41.43 C ATOM 1097 CE LYS A 71 -34.703 6.720 13.148 1.00 42.34 C ATOM 1098 NZ LYS A 71 -35.935 5.911 12.939 1.00 53.02 N ATOM 0 H LYS A 71 -30.849 4.222 16.983 1.00 74.44 H new ATOM 0 HA LYS A 71 -31.633 7.032 16.899 1.00 71.50 H new ATOM 0 HB2 LYS A 71 -30.532 6.009 14.956 1.00 1.42 H new ATOM 0 HB3 LYS A 71 -31.749 4.750 14.887 1.00 1.42 H new ATOM 0 HG2 LYS A 71 -32.888 7.468 14.795 1.00 60.02 H new ATOM 0 HG3 LYS A 71 -31.791 7.132 13.470 1.00 60.02 H new ATOM 0 HD2 LYS A 71 -33.103 5.383 12.634 1.00 41.43 H new ATOM 0 HD3 LYS A 71 -33.843 5.048 14.186 1.00 41.43 H new ATOM 0 HE2 LYS A 71 -34.881 7.456 13.932 1.00 42.34 H new ATOM 0 HE3 LYS A 71 -34.473 7.273 12.237 1.00 42.34 H new ATOM 0 HZ1 LYS A 71 -36.723 6.539 12.682 1.00 53.02 H new ATOM 0 HZ2 LYS A 71 -35.774 5.225 12.174 1.00 53.02 H new ATOM 0 HZ3 LYS A 71 -36.169 5.403 13.816 1.00 53.02 H new ATOM 1112 N LYS A 72 -33.695 4.691 17.562 1.00 74.44 N ATOM 1113 CA LYS A 72 -35.081 4.367 17.882 1.00 64.25 C ATOM 1114 C LYS A 72 -35.666 5.384 18.855 1.00 12.25 C ATOM 1115 O LYS A 72 -36.731 5.957 18.626 1.00 15.20 O ATOM 1116 CB LYS A 72 -35.172 2.961 18.480 1.00 52.14 C ATOM 1117 CG LYS A 72 -34.231 1.961 17.830 1.00 13.20 C ATOM 1118 CD LYS A 72 -34.386 1.951 16.318 1.00 22.34 C ATOM 1119 CE LYS A 72 -35.802 1.581 15.906 1.00 73.04 C ATOM 1120 NZ LYS A 72 -36.224 0.273 16.480 1.00 41.31 N ATOM 0 H LYS A 72 -33.014 4.009 17.897 1.00 74.44 H new ATOM 0 HA LYS A 72 -35.659 4.400 16.958 1.00 64.25 H new ATOM 0 HB2 LYS A 72 -34.952 3.014 19.546 1.00 52.14 H new ATOM 0 HB3 LYS A 72 -36.196 2.600 18.383 1.00 52.14 H new ATOM 0 HG2 LYS A 72 -33.201 2.207 18.090 1.00 13.20 H new ATOM 0 HG3 LYS A 72 -34.429 0.964 18.224 1.00 13.20 H new ATOM 0 HD2 LYS A 72 -34.135 2.934 15.919 1.00 22.34 H new ATOM 0 HD3 LYS A 72 -33.682 1.241 15.884 1.00 22.34 H new ATOM 0 HE2 LYS A 72 -36.491 2.360 16.233 1.00 73.04 H new ATOM 0 HE3 LYS A 72 -35.864 1.537 14.819 1.00 73.04 H new ATOM 0 HZ1 LYS A 72 -37.103 -0.040 16.020 1.00 41.31 H new ATOM 0 HZ2 LYS A 72 -35.478 -0.434 16.319 1.00 41.31 H new ATOM 0 HZ3 LYS A 72 -36.386 0.378 17.502 1.00 41.31 H new ATOM 1134 N PRO A 73 -34.955 5.617 19.969 1.00 62.44 N ATOM 1135 CA PRO A 73 -35.384 6.567 20.998 1.00 13.35 C ATOM 1136 C PRO A 73 -35.298 8.014 20.524 1.00 73.11 C ATOM 1137 O PRO A 73 -35.850 8.917 21.152 1.00 13.45 O ATOM 1138 CB PRO A 73 -34.398 6.320 22.143 1.00 40.43 C ATOM 1139 CG PRO A 73 -33.182 5.767 21.482 1.00 14.43 C ATOM 1140 CD PRO A 73 -33.676 4.969 20.307 1.00 12.44 C ATOM 0 HA PRO A 73 -36.428 6.421 21.277 1.00 13.35 H new ATOM 0 HB2 PRO A 73 -34.173 7.243 22.678 1.00 40.43 H new ATOM 0 HB3 PRO A 73 -34.805 5.620 22.872 1.00 40.43 H new ATOM 0 HG2 PRO A 73 -32.516 6.567 21.158 1.00 14.43 H new ATOM 0 HG3 PRO A 73 -32.615 5.139 22.170 1.00 14.43 H new ATOM 0 HD2 PRO A 73 -32.975 5.005 19.473 1.00 12.44 H new ATOM 0 HD3 PRO A 73 -33.813 3.919 20.564 1.00 12.44 H new ATOM 1148 N TYR A 74 -34.604 8.226 19.412 1.00 44.51 N ATOM 1149 CA TYR A 74 -34.444 9.564 18.854 1.00 0.24 C ATOM 1150 C TYR A 74 -33.657 10.460 19.805 1.00 4.43 C ATOM 1151 O TYR A 74 -33.627 11.680 19.644 1.00 63.23 O ATOM 1152 CB TYR A 74 -35.811 10.186 18.565 1.00 35.52 C ATOM 1153 CG TYR A 74 -36.208 10.125 17.107 1.00 31.24 C ATOM 1154 CD1 TYR A 74 -36.347 8.906 16.455 1.00 44.23 C ATOM 1155 CD2 TYR A 74 -36.445 11.287 16.383 1.00 73.41 C ATOM 1156 CE1 TYR A 74 -36.708 8.846 15.123 1.00 40.32 C ATOM 1157 CE2 TYR A 74 -36.809 11.236 15.051 1.00 4.20 C ATOM 1158 CZ TYR A 74 -36.938 10.014 14.425 1.00 31.13 C ATOM 1159 OH TYR A 74 -37.300 9.958 13.099 1.00 43.43 O ATOM 0 H TYR A 74 -34.143 7.489 18.879 1.00 44.51 H new ATOM 0 HA TYR A 74 -33.887 9.476 17.921 1.00 0.24 H new ATOM 0 HB2 TYR A 74 -36.567 9.674 19.160 1.00 35.52 H new ATOM 0 HB3 TYR A 74 -35.803 11.227 18.887 1.00 35.52 H new ATOM 0 HD1 TYR A 74 -36.170 7.990 16.999 1.00 44.23 H new ATOM 0 HD2 TYR A 74 -36.343 12.246 16.869 1.00 73.41 H new ATOM 0 HE1 TYR A 74 -36.810 7.890 14.631 1.00 40.32 H new ATOM 0 HE2 TYR A 74 -36.992 12.149 14.503 1.00 4.20 H new ATOM 0 HH TYR A 74 -37.425 10.867 12.755 1.00 43.43 H new ATOM 1169 N GLU A 75 -33.020 9.845 20.797 1.00 42.11 N ATOM 1170 CA GLU A 75 -32.232 10.587 21.774 1.00 20.24 C ATOM 1171 C GLU A 75 -30.832 10.874 21.240 1.00 62.12 C ATOM 1172 O GLU A 75 -30.269 11.941 21.484 1.00 55.50 O ATOM 1173 CB GLU A 75 -32.138 9.805 23.086 1.00 34.32 C ATOM 1174 CG GLU A 75 -33.431 9.799 23.885 1.00 2.42 C ATOM 1175 CD GLU A 75 -33.612 11.059 24.710 1.00 60.20 C ATOM 1176 OE1 GLU A 75 -33.054 11.124 25.825 1.00 63.10 O ATOM 1177 OE2 GLU A 75 -34.312 11.980 24.240 1.00 74.35 O ATOM 0 H GLU A 75 -33.034 8.836 20.945 1.00 42.11 H new ATOM 0 HA GLU A 75 -32.733 11.537 21.960 1.00 20.24 H new ATOM 0 HB2 GLU A 75 -31.852 8.776 22.866 1.00 34.32 H new ATOM 0 HB3 GLU A 75 -31.344 10.233 23.698 1.00 34.32 H new ATOM 0 HG2 GLU A 75 -34.275 9.691 23.203 1.00 2.42 H new ATOM 0 HG3 GLU A 75 -33.442 8.932 24.545 1.00 2.42 H new ATOM 1184 N ARG A 76 -30.275 9.913 20.510 1.00 71.12 N ATOM 1185 CA ARG A 76 -28.940 10.061 19.942 1.00 75.10 C ATOM 1186 C ARG A 76 -28.975 10.937 18.693 1.00 71.41 C ATOM 1187 O ARG A 76 -28.335 11.986 18.641 1.00 10.41 O ATOM 1188 CB ARG A 76 -28.353 8.690 19.601 1.00 54.14 C ATOM 1189 CG ARG A 76 -26.840 8.694 19.460 1.00 20.51 C ATOM 1190 CD ARG A 76 -26.154 8.676 20.817 1.00 15.34 C ATOM 1191 NE ARG A 76 -24.713 8.477 20.700 1.00 65.32 N ATOM 1192 CZ ARG A 76 -23.910 8.281 21.740 1.00 14.34 C ATOM 1193 NH1 ARG A 76 -24.407 8.259 22.970 1.00 71.15 N ATOM 1194 NH2 ARG A 76 -22.608 8.107 21.553 1.00 54.24 N ATOM 0 H ARG A 76 -30.727 9.024 20.298 1.00 71.12 H new ATOM 0 HA ARG A 76 -28.307 10.544 20.686 1.00 75.10 H new ATOM 0 HB2 ARG A 76 -28.635 7.980 20.378 1.00 54.14 H new ATOM 0 HB3 ARG A 76 -28.795 8.336 18.670 1.00 54.14 H new ATOM 0 HG2 ARG A 76 -26.525 7.826 18.880 1.00 20.51 H new ATOM 0 HG3 ARG A 76 -26.528 9.578 18.905 1.00 20.51 H new ATOM 0 HD2 ARG A 76 -26.349 9.615 21.334 1.00 15.34 H new ATOM 0 HD3 ARG A 76 -26.581 7.881 21.428 1.00 15.34 H new ATOM 0 HE ARG A 76 -24.299 8.489 19.768 1.00 65.32 H new ATOM 0 HH11 ARG A 76 -25.407 8.393 23.118 1.00 71.15 H new ATOM 0 HH12 ARG A 76 -23.789 8.108 23.767 1.00 71.15 H new ATOM 0 HH21 ARG A 76 -22.222 8.124 20.609 1.00 54.24 H new ATOM 0 HH22 ARG A 76 -21.993 7.957 22.353 1.00 54.24 H new ATOM 1208 N MET A 77 -29.726 10.497 17.689 1.00 74.23 N ATOM 1209 CA MET A 77 -29.845 11.241 16.440 1.00 2.13 C ATOM 1210 C MET A 77 -30.180 12.705 16.710 1.00 72.44 C ATOM 1211 O MET A 77 -29.765 13.593 15.966 1.00 41.30 O ATOM 1212 CB MET A 77 -30.919 10.615 15.548 1.00 2.44 C ATOM 1213 CG MET A 77 -32.337 10.907 16.010 1.00 75.01 C ATOM 1214 SD MET A 77 -33.583 10.167 14.937 1.00 60.34 S ATOM 1215 CE MET A 77 -33.700 11.406 13.649 1.00 52.11 C ATOM 0 H MET A 77 -30.261 9.629 17.716 1.00 74.23 H new ATOM 0 HA MET A 77 -28.885 11.195 15.925 1.00 2.13 H new ATOM 0 HB2 MET A 77 -30.794 10.983 14.530 1.00 2.44 H new ATOM 0 HB3 MET A 77 -30.770 9.536 15.517 1.00 2.44 H new ATOM 0 HG2 MET A 77 -32.469 10.533 17.025 1.00 75.01 H new ATOM 0 HG3 MET A 77 -32.488 11.986 16.046 1.00 75.01 H new ATOM 0 HE1 MET A 77 -34.434 11.091 12.907 1.00 52.11 H new ATOM 0 HE2 MET A 77 -34.009 12.356 14.085 1.00 52.11 H new ATOM 0 HE3 MET A 77 -32.728 11.526 13.170 1.00 52.11 H new ATOM 1225 N SER A 78 -30.934 12.948 17.777 1.00 71.40 N ATOM 1226 CA SER A 78 -31.329 14.303 18.142 1.00 45.34 C ATOM 1227 C SER A 78 -30.127 15.106 18.631 1.00 64.23 C ATOM 1228 O SER A 78 -29.911 16.242 18.208 1.00 34.13 O ATOM 1229 CB SER A 78 -32.408 14.269 19.225 1.00 52.01 C ATOM 1230 OG SER A 78 -31.968 13.544 20.360 1.00 15.35 O ATOM 0 H SER A 78 -31.284 12.224 18.404 1.00 71.40 H new ATOM 0 HA SER A 78 -31.732 14.789 17.253 1.00 45.34 H new ATOM 0 HB2 SER A 78 -32.667 15.287 19.517 1.00 52.01 H new ATOM 0 HB3 SER A 78 -33.314 13.812 18.826 1.00 52.01 H new ATOM 0 HG SER A 78 -32.549 12.767 20.498 1.00 15.35 H new ATOM 1236 N ASP A 79 -29.347 14.506 19.524 1.00 50.33 N ATOM 1237 CA ASP A 79 -28.166 15.163 20.071 1.00 44.32 C ATOM 1238 C ASP A 79 -27.175 15.510 18.964 1.00 51.23 C ATOM 1239 O ASP A 79 -26.310 16.368 19.139 1.00 74.04 O ATOM 1240 CB ASP A 79 -27.493 14.267 21.111 1.00 31.44 C ATOM 1241 CG ASP A 79 -28.056 14.473 22.504 1.00 42.00 C ATOM 1242 OD1 ASP A 79 -27.818 15.552 23.087 1.00 63.04 O ATOM 1243 OD2 ASP A 79 -28.735 13.556 23.011 1.00 41.11 O ATOM 0 H ASP A 79 -29.512 13.566 19.884 1.00 50.33 H new ATOM 0 HA ASP A 79 -28.486 16.088 20.551 1.00 44.32 H new ATOM 0 HB2 ASP A 79 -27.618 13.223 20.822 1.00 31.44 H new ATOM 0 HB3 ASP A 79 -26.422 14.469 21.122 1.00 31.44 H new ATOM 1248 N GLU A 80 -27.308 14.837 17.825 1.00 23.54 N ATOM 1249 CA GLU A 80 -26.423 15.073 16.691 1.00 5.00 C ATOM 1250 C GLU A 80 -26.548 16.510 16.193 1.00 10.13 C ATOM 1251 O GLU A 80 -25.693 16.999 15.454 1.00 13.35 O ATOM 1252 CB GLU A 80 -26.741 14.099 15.555 1.00 32.41 C ATOM 1253 CG GLU A 80 -25.696 14.086 14.452 1.00 10.54 C ATOM 1254 CD GLU A 80 -26.210 13.465 13.168 1.00 10.02 C ATOM 1255 OE1 GLU A 80 -27.392 13.063 13.136 1.00 21.43 O ATOM 1256 OE2 GLU A 80 -25.431 13.381 12.196 1.00 72.21 O ATOM 0 H GLU A 80 -28.020 14.125 17.664 1.00 23.54 H new ATOM 0 HA GLU A 80 -25.398 14.909 17.024 1.00 5.00 H new ATOM 0 HB2 GLU A 80 -26.836 13.094 15.966 1.00 32.41 H new ATOM 0 HB3 GLU A 80 -27.708 14.360 15.124 1.00 32.41 H new ATOM 0 HG2 GLU A 80 -25.371 15.107 14.253 1.00 10.54 H new ATOM 0 HG3 GLU A 80 -24.820 13.534 14.793 1.00 10.54 H new ATOM 1263 N ASP A 81 -27.619 17.180 16.603 1.00 54.20 N ATOM 1264 CA ASP A 81 -27.858 18.561 16.200 1.00 43.31 C ATOM 1265 C ASP A 81 -26.623 19.421 16.451 1.00 11.51 C ATOM 1266 O ASP A 81 -26.371 20.388 15.731 1.00 11.04 O ATOM 1267 CB ASP A 81 -29.057 19.136 16.955 1.00 31.33 C ATOM 1268 CG ASP A 81 -30.377 18.785 16.298 1.00 54.12 C ATOM 1269 OD1 ASP A 81 -30.360 18.062 15.279 1.00 0.24 O ATOM 1270 OD2 ASP A 81 -31.428 19.233 16.802 1.00 32.11 O ATOM 0 H ASP A 81 -28.336 16.789 17.214 1.00 54.20 H new ATOM 0 HA ASP A 81 -28.074 18.569 15.132 1.00 43.31 H new ATOM 0 HB2 ASP A 81 -29.053 18.760 17.978 1.00 31.33 H new ATOM 0 HB3 ASP A 81 -28.960 20.220 17.013 1.00 31.33 H new ATOM 1275 N ARG A 82 -25.858 19.064 17.477 1.00 63.20 N ATOM 1276 CA ARG A 82 -24.651 19.804 17.824 1.00 1.25 C ATOM 1277 C ARG A 82 -23.458 19.314 17.008 1.00 15.31 C ATOM 1278 O ARG A 82 -22.875 20.067 16.228 1.00 13.20 O ATOM 1279 CB ARG A 82 -24.353 19.663 19.318 1.00 24.12 C ATOM 1280 CG ARG A 82 -22.983 20.188 19.718 1.00 34.12 C ATOM 1281 CD ARG A 82 -22.860 21.680 19.454 1.00 50.32 C ATOM 1282 NE ARG A 82 -23.662 22.469 20.385 1.00 51.31 N ATOM 1283 CZ ARG A 82 -23.326 22.674 21.654 1.00 40.03 C ATOM 1284 NH1 ARG A 82 -22.209 22.151 22.140 1.00 42.04 N ATOM 1285 NH2 ARG A 82 -24.108 23.404 22.439 1.00 61.20 N ATOM 0 H ARG A 82 -26.053 18.267 18.083 1.00 63.20 H new ATOM 0 HA ARG A 82 -24.820 20.855 17.591 1.00 1.25 H new ATOM 0 HB2 ARG A 82 -25.117 20.196 19.884 1.00 24.12 H new ATOM 0 HB3 ARG A 82 -24.426 18.612 19.597 1.00 24.12 H new ATOM 0 HG2 ARG A 82 -22.810 19.989 20.776 1.00 34.12 H new ATOM 0 HG3 ARG A 82 -22.211 19.654 19.163 1.00 34.12 H new ATOM 0 HD2 ARG A 82 -21.814 21.977 19.534 1.00 50.32 H new ATOM 0 HD3 ARG A 82 -23.175 21.894 18.433 1.00 50.32 H new ATOM 0 HE ARG A 82 -24.528 22.886 20.042 1.00 51.31 H new ATOM 0 HH11 ARG A 82 -21.605 21.590 21.539 1.00 42.04 H new ATOM 0 HH12 ARG A 82 -21.953 22.310 23.115 1.00 42.04 H new ATOM 0 HH21 ARG A 82 -24.968 23.808 22.068 1.00 61.20 H new ATOM 0 HH22 ARG A 82 -23.849 23.561 23.413 1.00 61.20 H new ATOM 1299 N VAL A 83 -23.101 18.048 17.194 1.00 70.51 N ATOM 1300 CA VAL A 83 -21.979 17.457 16.475 1.00 62.52 C ATOM 1301 C VAL A 83 -22.137 17.633 14.969 1.00 61.13 C ATOM 1302 O VAL A 83 -21.158 17.600 14.223 1.00 4.14 O ATOM 1303 CB VAL A 83 -21.836 15.956 16.793 1.00 50.24 C ATOM 1304 CG1 VAL A 83 -21.786 15.731 18.296 1.00 4.21 C ATOM 1305 CG2 VAL A 83 -22.976 15.168 16.165 1.00 10.32 C ATOM 0 H VAL A 83 -23.572 17.411 17.837 1.00 70.51 H new ATOM 0 HA VAL A 83 -21.081 17.978 16.807 1.00 62.52 H new ATOM 0 HB VAL A 83 -20.899 15.599 16.365 1.00 50.24 H new ATOM 0 HG11 VAL A 83 -21.685 14.665 18.501 1.00 4.21 H new ATOM 0 HG12 VAL A 83 -20.933 16.264 18.715 1.00 4.21 H new ATOM 0 HG13 VAL A 83 -22.705 16.102 18.750 1.00 4.21 H new ATOM 0 HG21 VAL A 83 -22.859 14.110 16.399 1.00 10.32 H new ATOM 0 HG22 VAL A 83 -23.927 15.525 16.561 1.00 10.32 H new ATOM 0 HG23 VAL A 83 -22.960 15.304 15.084 1.00 10.32 H new ATOM 1315 N ARG A 84 -23.376 17.821 14.527 1.00 34.35 N ATOM 1316 CA ARG A 84 -23.663 18.002 13.110 1.00 73.24 C ATOM 1317 C ARG A 84 -22.741 19.053 12.498 1.00 34.13 C ATOM 1318 O ARG A 84 -22.381 18.970 11.324 1.00 73.22 O ATOM 1319 CB ARG A 84 -25.124 18.412 12.911 1.00 22.33 C ATOM 1320 CG ARG A 84 -25.466 18.770 11.474 1.00 33.53 C ATOM 1321 CD ARG A 84 -26.969 18.893 11.274 1.00 44.31 C ATOM 1322 NE ARG A 84 -27.567 19.851 12.200 1.00 52.13 N ATOM 1323 CZ ARG A 84 -28.840 20.226 12.148 1.00 54.23 C ATOM 1324 NH1 ARG A 84 -29.645 19.726 11.220 1.00 42.42 N ATOM 1325 NH2 ARG A 84 -29.312 21.103 13.025 1.00 24.35 N ATOM 0 H ARG A 84 -24.198 17.852 15.131 1.00 34.35 H new ATOM 0 HA ARG A 84 -23.488 17.052 12.606 1.00 73.24 H new ATOM 0 HB2 ARG A 84 -25.769 17.596 13.237 1.00 22.33 H new ATOM 0 HB3 ARG A 84 -25.343 19.266 13.551 1.00 22.33 H new ATOM 0 HG2 ARG A 84 -24.984 19.711 11.207 1.00 33.53 H new ATOM 0 HG3 ARG A 84 -25.070 18.007 10.804 1.00 33.53 H new ATOM 0 HD2 ARG A 84 -27.174 19.203 10.249 1.00 44.31 H new ATOM 0 HD3 ARG A 84 -27.434 17.917 11.411 1.00 44.31 H new ATOM 0 HE ARG A 84 -26.975 20.254 12.926 1.00 52.13 H new ATOM 0 HH11 ARG A 84 -29.287 19.052 10.544 1.00 42.42 H new ATOM 0 HH12 ARG A 84 -30.622 20.016 11.183 1.00 42.42 H new ATOM 0 HH21 ARG A 84 -28.697 21.490 13.741 1.00 24.35 H new ATOM 0 HH22 ARG A 84 -30.290 21.390 12.984 1.00 24.35 H new ATOM 1339 N TYR A 85 -22.364 20.041 13.302 1.00 21.53 N ATOM 1340 CA TYR A 85 -21.487 21.109 12.840 1.00 44.50 C ATOM 1341 C TYR A 85 -20.117 20.561 12.453 1.00 63.11 C ATOM 1342 O TYR A 85 -19.544 20.953 11.437 1.00 1.20 O ATOM 1343 CB TYR A 85 -21.333 22.177 13.925 1.00 71.21 C ATOM 1344 CG TYR A 85 -20.879 23.518 13.395 1.00 53.13 C ATOM 1345 CD1 TYR A 85 -19.615 23.677 12.841 1.00 71.02 C ATOM 1346 CD2 TYR A 85 -21.716 24.627 13.447 1.00 64.40 C ATOM 1347 CE1 TYR A 85 -19.196 24.901 12.356 1.00 33.11 C ATOM 1348 CE2 TYR A 85 -21.306 25.854 12.963 1.00 2.02 C ATOM 1349 CZ TYR A 85 -20.045 25.986 12.419 1.00 12.23 C ATOM 1350 OH TYR A 85 -19.632 27.207 11.936 1.00 32.32 O ATOM 0 H TYR A 85 -22.652 20.124 14.277 1.00 21.53 H new ATOM 0 HA TYR A 85 -21.941 21.560 11.957 1.00 44.50 H new ATOM 0 HB2 TYR A 85 -22.287 22.302 14.437 1.00 71.21 H new ATOM 0 HB3 TYR A 85 -20.616 21.828 14.668 1.00 71.21 H new ATOM 0 HD1 TYR A 85 -18.948 22.829 12.789 1.00 71.02 H new ATOM 0 HD2 TYR A 85 -22.703 24.527 13.873 1.00 64.40 H new ATOM 0 HE1 TYR A 85 -18.209 25.007 11.930 1.00 33.11 H new ATOM 0 HE2 TYR A 85 -21.969 26.705 13.010 1.00 2.02 H new ATOM 0 HH TYR A 85 -20.349 27.865 12.054 1.00 32.32 H new ATOM 1360 N GLU A 86 -19.598 19.650 13.271 1.00 13.32 N ATOM 1361 CA GLU A 86 -18.296 19.047 13.015 1.00 44.40 C ATOM 1362 C GLU A 86 -18.411 17.912 12.002 1.00 34.33 C ATOM 1363 O GLU A 86 -17.507 17.690 11.197 1.00 74.24 O ATOM 1364 CB GLU A 86 -17.686 18.524 14.317 1.00 31.02 C ATOM 1365 CG GLU A 86 -17.817 19.491 15.482 1.00 22.31 C ATOM 1366 CD GLU A 86 -17.444 20.912 15.106 1.00 63.52 C ATOM 1367 OE1 GLU A 86 -16.444 21.090 14.379 1.00 0.55 O ATOM 1368 OE2 GLU A 86 -18.153 21.845 15.538 1.00 25.41 O ATOM 0 H GLU A 86 -20.060 19.314 14.116 1.00 13.32 H new ATOM 0 HA GLU A 86 -17.644 19.816 12.600 1.00 44.40 H new ATOM 0 HB2 GLU A 86 -18.167 17.582 14.581 1.00 31.02 H new ATOM 0 HB3 GLU A 86 -16.631 18.307 14.153 1.00 31.02 H new ATOM 0 HG2 GLU A 86 -18.843 19.474 15.850 1.00 22.31 H new ATOM 0 HG3 GLU A 86 -17.179 19.156 16.300 1.00 22.31 H new ATOM 1375 N ARG A 87 -19.530 17.196 12.050 1.00 21.45 N ATOM 1376 CA ARG A 87 -19.764 16.082 11.139 1.00 22.13 C ATOM 1377 C ARG A 87 -19.789 16.561 9.691 1.00 74.33 C ATOM 1378 O ARG A 87 -19.154 15.967 8.820 1.00 73.11 O ATOM 1379 CB ARG A 87 -21.082 15.384 11.480 1.00 1.33 C ATOM 1380 CG ARG A 87 -21.487 14.322 10.472 1.00 34.30 C ATOM 1381 CD ARG A 87 -22.517 14.853 9.487 1.00 62.43 C ATOM 1382 NE ARG A 87 -23.869 14.824 10.039 1.00 44.11 N ATOM 1383 CZ ARG A 87 -24.874 15.546 9.558 1.00 53.31 C ATOM 1384 NH1 ARG A 87 -24.682 16.349 8.520 1.00 4.03 N ATOM 1385 NH2 ARG A 87 -26.076 15.466 10.115 1.00 51.14 N ATOM 0 H ARG A 87 -20.288 17.368 12.710 1.00 21.45 H new ATOM 0 HA ARG A 87 -18.945 15.372 11.255 1.00 22.13 H new ATOM 0 HB2 ARG A 87 -20.996 14.924 12.465 1.00 1.33 H new ATOM 0 HB3 ARG A 87 -21.873 16.131 11.545 1.00 1.33 H new ATOM 0 HG2 ARG A 87 -20.606 13.979 9.929 1.00 34.30 H new ATOM 0 HG3 ARG A 87 -21.895 13.458 10.996 1.00 34.30 H new ATOM 0 HD2 ARG A 87 -22.260 15.876 9.210 1.00 62.43 H new ATOM 0 HD3 ARG A 87 -22.486 14.258 8.574 1.00 62.43 H new ATOM 0 HE ARG A 87 -24.051 14.216 10.837 1.00 44.11 H new ATOM 0 HH11 ARG A 87 -23.760 16.413 8.089 1.00 4.03 H new ATOM 0 HH12 ARG A 87 -25.456 16.902 8.153 1.00 4.03 H new ATOM 0 HH21 ARG A 87 -26.228 14.850 10.913 1.00 51.14 H new ATOM 0 HH22 ARG A 87 -26.848 16.021 9.745 1.00 51.14 H new ATOM 1399 N GLU A 88 -20.528 17.638 9.442 1.00 71.54 N ATOM 1400 CA GLU A 88 -20.637 18.194 8.098 1.00 1.43 C ATOM 1401 C GLU A 88 -19.257 18.491 7.519 1.00 3.41 C ATOM 1402 O GLU A 88 -19.068 18.491 6.302 1.00 22.54 O ATOM 1403 CB GLU A 88 -21.479 19.472 8.118 1.00 33.44 C ATOM 1404 CG GLU A 88 -21.844 19.982 6.734 1.00 32.25 C ATOM 1405 CD GLU A 88 -22.672 21.252 6.780 1.00 22.43 C ATOM 1406 OE1 GLU A 88 -23.893 21.156 7.023 1.00 1.21 O ATOM 1407 OE2 GLU A 88 -22.097 22.341 6.574 1.00 54.25 O ATOM 0 H GLU A 88 -21.059 18.142 10.152 1.00 71.54 H new ATOM 0 HA GLU A 88 -21.127 17.454 7.465 1.00 1.43 H new ATOM 0 HB2 GLU A 88 -22.394 19.285 8.680 1.00 33.44 H new ATOM 0 HB3 GLU A 88 -20.931 20.250 8.650 1.00 33.44 H new ATOM 0 HG2 GLU A 88 -20.932 20.168 6.167 1.00 32.25 H new ATOM 0 HG3 GLU A 88 -22.399 19.210 6.201 1.00 32.25 H new ATOM 1414 N LYS A 89 -18.295 18.746 8.399 1.00 25.03 N ATOM 1415 CA LYS A 89 -16.931 19.044 7.978 1.00 1.30 C ATOM 1416 C LYS A 89 -16.404 17.966 7.036 1.00 54.51 C ATOM 1417 O LYS A 89 -15.812 18.269 6.001 1.00 50.34 O ATOM 1418 CB LYS A 89 -16.013 19.164 9.197 1.00 72.21 C ATOM 1419 CG LYS A 89 -14.894 20.175 9.019 1.00 51.11 C ATOM 1420 CD LYS A 89 -15.244 21.511 9.652 1.00 0.31 C ATOM 1421 CE LYS A 89 -15.225 21.430 11.171 1.00 43.41 C ATOM 1422 NZ LYS A 89 -15.517 22.748 11.800 1.00 2.13 N ATOM 0 H LYS A 89 -18.435 18.752 9.409 1.00 25.03 H new ATOM 0 HA LYS A 89 -16.942 19.994 7.444 1.00 1.30 H new ATOM 0 HB2 LYS A 89 -16.610 19.445 10.065 1.00 72.21 H new ATOM 0 HB3 LYS A 89 -15.578 18.188 9.411 1.00 72.21 H new ATOM 0 HG2 LYS A 89 -13.978 19.788 9.466 1.00 51.11 H new ATOM 0 HG3 LYS A 89 -14.695 20.316 7.957 1.00 51.11 H new ATOM 0 HD2 LYS A 89 -14.536 22.270 9.318 1.00 0.31 H new ATOM 0 HD3 LYS A 89 -16.232 21.827 9.316 1.00 0.31 H new ATOM 0 HE2 LYS A 89 -15.960 20.697 11.505 1.00 43.41 H new ATOM 0 HE3 LYS A 89 -14.249 21.077 11.504 1.00 43.41 H new ATOM 0 HZ1 LYS A 89 -15.892 22.600 12.759 1.00 2.13 H new ATOM 0 HZ2 LYS A 89 -14.643 23.309 11.853 1.00 2.13 H new ATOM 0 HZ3 LYS A 89 -16.221 23.257 11.228 1.00 2.13 H new ATOM 1436 N ALA A 90 -16.626 16.708 7.401 1.00 23.02 N ATOM 1437 CA ALA A 90 -16.177 15.586 6.587 1.00 64.25 C ATOM 1438 C ALA A 90 -16.666 15.721 5.149 1.00 72.43 C ATOM 1439 O ALA A 90 -15.867 15.771 4.214 1.00 13.01 O ATOM 1440 CB ALA A 90 -16.655 14.272 7.188 1.00 45.41 C ATOM 0 H ALA A 90 -17.114 16.440 8.256 1.00 23.02 H new ATOM 0 HA ALA A 90 -15.087 15.592 6.575 1.00 64.25 H new ATOM 0 HB1 ALA A 90 -16.312 13.443 6.569 1.00 45.41 H new ATOM 0 HB2 ALA A 90 -16.252 14.164 8.195 1.00 45.41 H new ATOM 0 HB3 ALA A 90 -17.744 14.266 7.231 1.00 45.41 H new ATOM 1446 N GLU A 91 -17.984 15.778 4.980 1.00 65.33 N ATOM 1447 CA GLU A 91 -18.578 15.905 3.654 1.00 12.04 C ATOM 1448 C GLU A 91 -18.115 17.188 2.971 1.00 3.31 C ATOM 1449 O GLU A 91 -18.107 17.283 1.743 1.00 14.05 O ATOM 1450 CB GLU A 91 -20.105 15.889 3.753 1.00 51.44 C ATOM 1451 CG GLU A 91 -20.683 14.511 4.027 1.00 13.54 C ATOM 1452 CD GLU A 91 -21.758 14.532 5.097 1.00 52.52 C ATOM 1453 OE1 GLU A 91 -22.375 15.600 5.297 1.00 44.24 O ATOM 1454 OE2 GLU A 91 -21.983 13.482 5.734 1.00 42.32 O ATOM 0 H GLU A 91 -18.659 15.738 5.743 1.00 65.33 H new ATOM 0 HA GLU A 91 -18.250 15.056 3.054 1.00 12.04 H new ATOM 0 HB2 GLU A 91 -20.416 16.569 4.546 1.00 51.44 H new ATOM 0 HB3 GLU A 91 -20.525 16.271 2.823 1.00 51.44 H new ATOM 0 HG2 GLU A 91 -21.101 14.106 3.105 1.00 13.54 H new ATOM 0 HG3 GLU A 91 -19.882 13.840 4.335 1.00 13.54 H new ATOM 1461 N TYR A 92 -17.729 18.173 3.775 1.00 51.24 N ATOM 1462 CA TYR A 92 -17.267 19.452 3.249 1.00 41.13 C ATOM 1463 C TYR A 92 -15.870 19.322 2.650 1.00 5.13 C ATOM 1464 O TYR A 92 -15.529 20.007 1.687 1.00 43.34 O ATOM 1465 CB TYR A 92 -17.264 20.511 4.353 1.00 75.40 C ATOM 1466 CG TYR A 92 -17.283 21.930 3.832 1.00 62.35 C ATOM 1467 CD1 TYR A 92 -16.103 22.582 3.495 1.00 0.35 C ATOM 1468 CD2 TYR A 92 -18.479 22.618 3.676 1.00 54.32 C ATOM 1469 CE1 TYR A 92 -16.115 23.879 3.019 1.00 4.13 C ATOM 1470 CE2 TYR A 92 -18.501 23.915 3.199 1.00 63.40 C ATOM 1471 CZ TYR A 92 -17.316 24.541 2.872 1.00 21.34 C ATOM 1472 OH TYR A 92 -17.333 25.833 2.398 1.00 22.54 O ATOM 0 H TYR A 92 -17.727 18.110 4.793 1.00 51.24 H new ATOM 0 HA TYR A 92 -17.954 19.761 2.461 1.00 41.13 H new ATOM 0 HB2 TYR A 92 -18.132 20.357 4.995 1.00 75.40 H new ATOM 0 HB3 TYR A 92 -16.379 20.373 4.975 1.00 75.40 H new ATOM 0 HD1 TYR A 92 -15.161 22.066 3.607 1.00 0.35 H new ATOM 0 HD2 TYR A 92 -19.408 22.131 3.932 1.00 54.32 H new ATOM 0 HE1 TYR A 92 -15.189 24.372 2.763 1.00 4.13 H new ATOM 0 HE2 TYR A 92 -19.440 24.435 3.083 1.00 63.40 H new ATOM 0 HH TYR A 92 -18.258 26.153 2.353 1.00 22.54 H new ATOM 1482 N ALA A 93 -15.065 18.437 3.229 1.00 31.23 N ATOM 1483 CA ALA A 93 -13.706 18.214 2.753 1.00 62.42 C ATOM 1484 C ALA A 93 -13.687 17.229 1.589 1.00 63.50 C ATOM 1485 O ALA A 93 -12.740 17.202 0.803 1.00 32.40 O ATOM 1486 CB ALA A 93 -12.825 17.711 3.887 1.00 61.31 C ATOM 0 H ALA A 93 -15.331 17.863 4.029 1.00 31.23 H new ATOM 0 HA ALA A 93 -13.312 19.166 2.396 1.00 62.42 H new ATOM 0 HB1 ALA A 93 -11.813 17.549 3.517 1.00 61.31 H new ATOM 0 HB2 ALA A 93 -12.804 18.451 4.687 1.00 61.31 H new ATOM 0 HB3 ALA A 93 -13.226 16.773 4.270 1.00 61.31 H new ATOM 1492 N GLN A 94 -14.737 16.421 1.486 1.00 33.00 N ATOM 1493 CA GLN A 94 -14.839 15.433 0.418 1.00 13.32 C ATOM 1494 C GLN A 94 -15.159 16.103 -0.914 1.00 53.01 C ATOM 1495 O GLN A 94 -14.700 15.662 -1.968 1.00 4.33 O ATOM 1496 CB GLN A 94 -15.914 14.398 0.753 1.00 33.04 C ATOM 1497 CG GLN A 94 -15.706 13.717 2.097 1.00 42.44 C ATOM 1498 CD GLN A 94 -15.801 12.207 2.007 1.00 53.14 C ATOM 1499 OE1 GLN A 94 -16.659 11.668 1.307 1.00 51.45 O ATOM 1500 NE2 GLN A 94 -14.918 11.514 2.717 1.00 54.44 N ATOM 0 H GLN A 94 -15.529 16.431 2.129 1.00 33.00 H new ATOM 0 HA GLN A 94 -13.876 14.930 0.329 1.00 13.32 H new ATOM 0 HB2 GLN A 94 -16.889 14.885 0.749 1.00 33.04 H new ATOM 0 HB3 GLN A 94 -15.933 13.640 -0.030 1.00 33.04 H new ATOM 0 HG2 GLN A 94 -14.728 13.993 2.492 1.00 42.44 H new ATOM 0 HG3 GLN A 94 -16.450 14.083 2.804 1.00 42.44 H new ATOM 0 HE21 GLN A 94 -14.224 12.001 3.284 1.00 54.44 H new ATOM 0 HE22 GLN A 94 -14.934 10.494 2.696 1.00 54.44 H new ATOM 1509 N ARG A 95 -15.950 17.170 -0.860 1.00 34.44 N ATOM 1510 CA ARG A 95 -16.333 17.899 -2.062 1.00 51.15 C ATOM 1511 C ARG A 95 -15.264 18.920 -2.443 1.00 34.34 C ATOM 1512 O ARG A 95 -15.199 19.370 -3.587 1.00 11.04 O ATOM 1513 CB ARG A 95 -17.675 18.604 -1.852 1.00 64.21 C ATOM 1514 CG ARG A 95 -17.606 19.763 -0.871 1.00 35.41 C ATOM 1515 CD ARG A 95 -17.407 21.089 -1.588 1.00 20.31 C ATOM 1516 NE ARG A 95 -18.110 22.182 -0.922 1.00 43.10 N ATOM 1517 CZ ARG A 95 -18.374 23.347 -1.502 1.00 42.44 C ATOM 1518 NH1 ARG A 95 -17.996 23.569 -2.754 1.00 2.22 N ATOM 1519 NH2 ARG A 95 -19.018 24.294 -0.831 1.00 63.40 N ATOM 0 H ARG A 95 -16.338 17.548 0.004 1.00 34.44 H new ATOM 0 HA ARG A 95 -16.431 17.181 -2.876 1.00 51.15 H new ATOM 0 HB2 ARG A 95 -18.037 18.972 -2.812 1.00 64.21 H new ATOM 0 HB3 ARG A 95 -18.405 17.878 -1.494 1.00 64.21 H new ATOM 0 HG2 ARG A 95 -18.524 19.800 -0.284 1.00 35.41 H new ATOM 0 HG3 ARG A 95 -16.787 19.600 -0.171 1.00 35.41 H new ATOM 0 HD2 ARG A 95 -16.343 21.319 -1.636 1.00 20.31 H new ATOM 0 HD3 ARG A 95 -17.761 21.003 -2.615 1.00 20.31 H new ATOM 0 HE ARG A 95 -18.415 22.043 0.041 1.00 43.10 H new ATOM 0 HH11 ARG A 95 -17.501 22.844 -3.274 1.00 2.22 H new ATOM 0 HH12 ARG A 95 -18.200 24.465 -3.197 1.00 2.22 H new ATOM 0 HH21 ARG A 95 -19.311 24.127 0.132 1.00 63.40 H new ATOM 0 HH22 ARG A 95 -19.220 25.188 -1.278 1.00 63.40 H new ATOM 1533 N LYS A 96 -14.428 19.281 -1.475 1.00 52.13 N ATOM 1534 CA LYS A 96 -13.361 20.248 -1.707 1.00 35.31 C ATOM 1535 C LYS A 96 -12.130 19.568 -2.298 1.00 14.20 C ATOM 1536 O LYS A 96 -11.373 20.180 -3.051 1.00 62.12 O ATOM 1537 CB LYS A 96 -12.990 20.952 -0.400 1.00 33.43 C ATOM 1538 CG LYS A 96 -13.972 22.037 0.007 1.00 50.04 C ATOM 1539 CD LYS A 96 -13.976 23.186 -0.987 1.00 44.34 C ATOM 1540 CE LYS A 96 -14.308 24.507 -0.311 1.00 0.32 C ATOM 1541 NZ LYS A 96 -15.773 24.773 -0.303 1.00 12.04 N ATOM 0 H LYS A 96 -14.469 18.919 -0.522 1.00 52.13 H new ATOM 0 HA LYS A 96 -13.724 20.988 -2.421 1.00 35.31 H new ATOM 0 HB2 LYS A 96 -12.929 20.211 0.397 1.00 33.43 H new ATOM 0 HB3 LYS A 96 -11.998 21.392 -0.503 1.00 33.43 H new ATOM 0 HG2 LYS A 96 -14.974 21.614 0.079 1.00 50.04 H new ATOM 0 HG3 LYS A 96 -13.712 22.412 0.997 1.00 50.04 H new ATOM 0 HD2 LYS A 96 -13.000 23.257 -1.467 1.00 44.34 H new ATOM 0 HD3 LYS A 96 -14.704 22.986 -1.773 1.00 44.34 H new ATOM 0 HE2 LYS A 96 -13.936 24.494 0.713 1.00 0.32 H new ATOM 0 HE3 LYS A 96 -13.794 25.318 -0.827 1.00 0.32 H new ATOM 0 HZ1 LYS A 96 -15.960 25.674 0.181 1.00 12.04 H new ATOM 0 HZ2 LYS A 96 -16.121 24.827 -1.281 1.00 12.04 H new ATOM 0 HZ3 LYS A 96 -16.263 24.004 0.197 1.00 12.04 H new ATOM 1555 N VAL A 97 -11.937 18.299 -1.953 1.00 14.13 N ATOM 1556 CA VAL A 97 -10.800 17.536 -2.451 1.00 63.33 C ATOM 1557 C VAL A 97 -10.925 17.278 -3.949 1.00 22.44 C ATOM 1558 O VAL A 97 -11.979 17.505 -4.542 1.00 61.12 O ATOM 1559 CB VAL A 97 -10.664 16.188 -1.719 1.00 20.42 C ATOM 1560 CG1 VAL A 97 -11.833 15.275 -2.058 1.00 43.22 C ATOM 1561 CG2 VAL A 97 -9.340 15.524 -2.066 1.00 72.35 C ATOM 0 H VAL A 97 -12.554 17.778 -1.330 1.00 14.13 H new ATOM 0 HA VAL A 97 -9.910 18.135 -2.261 1.00 63.33 H new ATOM 0 HB VAL A 97 -10.680 16.375 -0.645 1.00 20.42 H new ATOM 0 HG11 VAL A 97 -11.719 14.327 -1.531 1.00 43.22 H new ATOM 0 HG12 VAL A 97 -12.766 15.750 -1.753 1.00 43.22 H new ATOM 0 HG13 VAL A 97 -11.853 15.093 -3.132 1.00 43.22 H new ATOM 0 HG21 VAL A 97 -9.261 14.573 -1.540 1.00 72.35 H new ATOM 0 HG22 VAL A 97 -9.291 15.349 -3.141 1.00 72.35 H new ATOM 0 HG23 VAL A 97 -8.518 16.174 -1.766 1.00 72.35 H new TER 1571 VAL A 97