USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 806 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 48 LYS NZ :NH3+ -123:sc= 0 (180deg=-1.18) USER MOD Set 1.2: A 75 SER OG : rot -170:sc= -1.3 USER MOD Set 2.1: A 55 GLN : amide:sc= -0.263 K(o=-0.82,f=-3.6!) USER MOD Set 2.2: A 67 GLN : amide:sc= -0.554 K(o=-0.82,f=-1.4) USER MOD Single : A 4 ASN : amide:sc= -0.0325 X(o=-0.032,f=-0.36) USER MOD Single : A 5 ASN : amide:sc= -0.364 X(o=-0.36,f=-0.074) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.196 X(o=-0.2,f=-0.24) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0249 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -162:sc= -0.0468 (180deg=-0.418) USER MOD Single : A 19 LYS NZ :NH3+ -160:sc= 0.363 (180deg=0.115) USER MOD Single : A 22 HIS : no HD1:sc= -0.202 K(o=-0.2,f=-2.5!) USER MOD Single : A 28 ASN : amide:sc= -0.0791 X(o=-0.079,f=0) USER MOD Single : A 29 THR OG1 : rot 115:sc= 1.33 USER MOD Single : A 31 LYS NZ :NH3+ -140:sc= -0.546 (180deg=-4.35!) USER MOD Single : A 39 ASN : amide:sc= -6.39! C(o=-6.4!,f=-9.5!) USER MOD Single : A 41 MET CE :methyl 172:sc= 0 (180deg=-0.0805) USER MOD Single : A 43 THR OG1 : rot 63:sc= 0.175 USER MOD Single : A 44 MET CE :methyl -169:sc= -0.389 (180deg=-1.02) USER MOD Single : A 49 ASN : amide:sc= -1.02 X(o=-1,f=-1.1) USER MOD Single : A 51 LYS NZ :NH3+ 179:sc= 0.347 (180deg=0.346) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.154 K(o=-0.15,f=-2.1!) USER MOD Single : A 68 HIS : no HD1:sc= -4.57! K(o=-4.6!,f=-3.9) USER MOD Single : A 70 SER OG : rot -140:sc= -2.44! USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -170:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0779) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 30:sc= -0.94 USER MOD Single : A 85 THR OG1 : rot -27:sc= -1.59! USER MOD Single : A 90 ASN : amide:sc= -5.33 K(o=-5.3,f=-3.8) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.0283 X(o=-0.028,f=-0.026) USER MOD Single : A 97 HIS : no HE2:sc= 0.722 K(o=0.72,f=-5.2!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot -160:sc= -0.567! USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.00096) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 4 -1.520 23.848 -5.432 1.00 1.39 N ATOM 2 CA ASN A 4 -0.679 22.711 -5.793 1.00 1.19 C ATOM 3 C ASN A 4 0.157 22.256 -4.601 1.00 0.98 C ATOM 4 O ASN A 4 1.387 22.280 -4.641 1.00 1.50 O ATOM 5 CB ASN A 4 0.234 23.077 -6.965 1.00 1.71 C ATOM 6 CG ASN A 4 -0.246 22.480 -8.275 1.00 1.99 C ATOM 7 OD1 ASN A 4 -1.448 22.353 -8.508 1.00 2.33 O ATOM 8 ND2 ASN A 4 0.695 22.110 -9.137 1.00 2.64 N ATOM 0 HA ASN A 4 -1.328 21.889 -6.093 1.00 1.19 H new ATOM 0 HB2 ASN A 4 0.284 24.162 -7.059 1.00 1.71 H new ATOM 0 HB3 ASN A 4 1.246 22.728 -6.758 1.00 1.71 H new ATOM 0 HD21 ASN A 4 0.433 21.702 -10.034 1.00 2.64 H new ATOM 0 HD22 ASN A 4 1.680 22.234 -8.901 1.00 2.64 H new ATOM 15 N ASN A 5 -0.524 21.841 -3.538 1.00 0.76 N ATOM 16 CA ASN A 5 0.150 21.379 -2.329 1.00 0.53 C ATOM 17 C ASN A 5 -0.451 20.048 -1.860 1.00 0.49 C ATOM 18 O ASN A 5 -0.873 19.235 -2.683 1.00 0.60 O ATOM 19 CB ASN A 5 0.054 22.444 -1.227 1.00 0.52 C ATOM 20 CG ASN A 5 0.065 23.861 -1.771 1.00 0.63 C ATOM 21 OD1 ASN A 5 -0.889 24.617 -1.585 1.00 1.19 O ATOM 22 ND2 ASN A 5 1.146 24.226 -2.450 1.00 1.41 N ATOM 0 H ASN A 5 -1.542 21.815 -3.489 1.00 0.76 H new ATOM 0 HA ASN A 5 1.204 21.215 -2.553 1.00 0.53 H new ATOM 0 HB2 ASN A 5 -0.861 22.287 -0.656 1.00 0.52 H new ATOM 0 HB3 ASN A 5 0.887 22.320 -0.535 1.00 0.52 H new ATOM 0 HD21 ASN A 5 1.209 25.166 -2.842 1.00 1.41 H new ATOM 0 HD22 ASN A 5 1.913 23.567 -2.580 1.00 1.41 H new ATOM 29 N LYS A 6 -0.484 19.817 -0.547 1.00 0.45 N ATOM 30 CA LYS A 6 -1.028 18.578 -0.010 1.00 0.49 C ATOM 31 C LYS A 6 -2.551 18.616 0.058 1.00 0.49 C ATOM 32 O LYS A 6 -3.140 19.536 0.624 1.00 0.56 O ATOM 33 CB LYS A 6 -0.461 18.312 1.379 1.00 0.64 C ATOM 34 CG LYS A 6 0.667 17.297 1.395 1.00 1.28 C ATOM 35 CD LYS A 6 1.990 17.919 0.980 1.00 1.76 C ATOM 36 CE LYS A 6 2.515 18.885 2.032 1.00 2.52 C ATOM 37 NZ LYS A 6 3.669 19.679 1.529 1.00 3.06 N ATOM 0 H LYS A 6 -0.141 20.470 0.158 1.00 0.45 H new ATOM 0 HA LYS A 6 -0.738 17.773 -0.684 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -0.099 19.250 1.800 1.00 0.64 H new ATOM 0 HB3 LYS A 6 -1.263 17.960 2.028 1.00 0.64 H new ATOM 0 HG2 LYS A 6 0.762 16.874 2.395 1.00 1.28 H new ATOM 0 HG3 LYS A 6 0.425 16.474 0.723 1.00 1.28 H new ATOM 0 HD2 LYS A 6 2.725 17.132 0.811 1.00 1.76 H new ATOM 0 HD3 LYS A 6 1.863 18.445 0.034 1.00 1.76 H new ATOM 0 HE2 LYS A 6 1.715 19.560 2.337 1.00 2.52 H new ATOM 0 HE3 LYS A 6 2.817 18.327 2.919 1.00 2.52 H new ATOM 0 HZ1 LYS A 6 3.998 20.325 2.275 1.00 3.06 H new ATOM 0 HZ2 LYS A 6 4.442 19.037 1.262 1.00 3.06 H new ATOM 0 HZ3 LYS A 6 3.375 20.231 0.698 1.00 3.06 H new ATOM 51 N ARG A 7 -3.167 17.590 -0.510 1.00 0.50 N ATOM 52 CA ARG A 7 -4.620 17.453 -0.527 1.00 0.52 C ATOM 53 C ARG A 7 -4.999 15.970 -0.539 1.00 0.47 C ATOM 54 O ARG A 7 -4.612 15.220 -1.444 1.00 0.43 O ATOM 55 CB ARG A 7 -5.246 18.156 -1.745 1.00 0.57 C ATOM 56 CG ARG A 7 -4.296 19.032 -2.555 1.00 0.77 C ATOM 57 CD ARG A 7 -4.266 20.460 -2.038 1.00 0.64 C ATOM 58 NE ARG A 7 -5.398 21.243 -2.527 1.00 0.98 N ATOM 59 CZ ARG A 7 -5.537 21.627 -3.792 1.00 1.66 C ATOM 60 NH1 ARG A 7 -4.614 21.312 -4.688 1.00 2.46 N ATOM 61 NH2 ARG A 7 -6.600 22.328 -4.160 1.00 2.11 N ATOM 0 H ARG A 7 -2.675 16.826 -0.974 1.00 0.50 H new ATOM 0 HA ARG A 7 -5.010 17.931 0.372 1.00 0.52 H new ATOM 0 HB2 ARG A 7 -5.665 17.397 -2.405 1.00 0.57 H new ATOM 0 HB3 ARG A 7 -6.076 18.772 -1.400 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -3.291 18.611 -2.517 1.00 0.77 H new ATOM 0 HG3 ARG A 7 -4.603 19.030 -3.601 1.00 0.77 H new ATOM 0 HD2 ARG A 7 -4.275 20.451 -0.948 1.00 0.64 H new ATOM 0 HD3 ARG A 7 -3.335 20.937 -2.345 1.00 0.64 H new ATOM 0 HE ARG A 7 -6.122 21.510 -1.860 1.00 0.98 H new ATOM 0 HH11 ARG A 7 -3.794 20.774 -4.408 1.00 2.46 H new ATOM 0 HH12 ARG A 7 -4.723 21.608 -5.658 1.00 2.46 H new ATOM 0 HH21 ARG A 7 -7.312 22.573 -3.472 1.00 2.11 H new ATOM 0 HH22 ARG A 7 -6.706 22.622 -5.131 1.00 2.11 H new ATOM 75 N ALA A 8 -5.754 15.564 0.480 1.00 0.50 N ATOM 76 CA ALA A 8 -6.194 14.178 0.634 1.00 0.47 C ATOM 77 C ALA A 8 -6.581 13.527 -0.695 1.00 0.44 C ATOM 78 O ALA A 8 -7.550 13.940 -1.334 1.00 0.56 O ATOM 79 CB ALA A 8 -7.370 14.118 1.598 1.00 0.54 C ATOM 0 H ALA A 8 -6.078 16.185 1.221 1.00 0.50 H new ATOM 0 HA ALA A 8 -5.349 13.615 1.031 1.00 0.47 H new ATOM 0 HB1 ALA A 8 -7.696 13.084 1.711 1.00 0.54 H new ATOM 0 HB2 ALA A 8 -7.065 14.510 2.568 1.00 0.54 H new ATOM 0 HB3 ALA A 8 -8.192 14.717 1.206 1.00 0.54 H new ATOM 85 N PRO A 9 -5.842 12.482 -1.123 1.00 0.36 N ATOM 86 CA PRO A 9 -6.136 11.768 -2.370 1.00 0.37 C ATOM 87 C PRO A 9 -7.444 10.993 -2.270 1.00 0.37 C ATOM 88 O PRO A 9 -7.641 10.210 -1.343 1.00 0.40 O ATOM 89 CB PRO A 9 -4.955 10.797 -2.536 1.00 0.39 C ATOM 90 CG PRO A 9 -3.929 11.235 -1.544 1.00 0.51 C ATOM 91 CD PRO A 9 -4.682 11.904 -0.431 1.00 0.41 C ATOM 0 HA PRO A 9 -6.251 12.450 -3.213 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -5.265 9.769 -2.351 1.00 0.39 H new ATOM 0 HB3 PRO A 9 -4.559 10.833 -3.551 1.00 0.39 H new ATOM 0 HG2 PRO A 9 -3.359 10.384 -1.172 1.00 0.51 H new ATOM 0 HG3 PRO A 9 -3.216 11.922 -1.999 1.00 0.51 H new ATOM 0 HD2 PRO A 9 -4.983 11.193 0.338 1.00 0.41 H new ATOM 0 HD3 PRO A 9 -4.082 12.670 0.060 1.00 0.41 H new ATOM 99 N TYR A 10 -8.345 11.222 -3.220 1.00 0.38 N ATOM 100 CA TYR A 10 -9.638 10.547 -3.218 1.00 0.41 C ATOM 101 C TYR A 10 -9.551 9.177 -3.885 1.00 0.38 C ATOM 102 O TYR A 10 -9.259 9.070 -5.075 1.00 0.44 O ATOM 103 CB TYR A 10 -10.683 11.410 -3.926 1.00 0.49 C ATOM 104 CG TYR A 10 -11.074 12.647 -3.146 1.00 1.15 C ATOM 105 CD1 TYR A 10 -10.180 13.699 -2.986 1.00 1.90 C ATOM 106 CD2 TYR A 10 -12.329 12.759 -2.566 1.00 2.02 C ATOM 107 CE1 TYR A 10 -10.527 14.828 -2.271 1.00 2.78 C ATOM 108 CE2 TYR A 10 -12.687 13.886 -1.850 1.00 2.96 C ATOM 109 CZ TYR A 10 -11.783 14.918 -1.707 1.00 3.18 C ATOM 110 OH TYR A 10 -12.133 16.042 -0.994 1.00 4.20 O ATOM 0 H TYR A 10 -8.205 11.867 -3.998 1.00 0.38 H new ATOM 0 HA TYR A 10 -9.937 10.398 -2.181 1.00 0.41 H new ATOM 0 HB2 TYR A 10 -10.295 11.711 -4.899 1.00 0.49 H new ATOM 0 HB3 TYR A 10 -11.574 10.810 -4.110 1.00 0.49 H new ATOM 0 HD1 TYR A 10 -9.197 13.632 -3.429 1.00 1.90 H new ATOM 0 HD2 TYR A 10 -13.038 11.952 -2.676 1.00 2.02 H new ATOM 0 HE1 TYR A 10 -9.820 15.636 -2.154 1.00 2.78 H new ATOM 0 HE2 TYR A 10 -13.669 13.958 -1.405 1.00 2.96 H new ATOM 0 HH TYR A 10 -13.051 15.947 -0.664 1.00 4.20 H new ATOM 120 N TRP A 11 -9.814 8.133 -3.104 1.00 0.47 N ATOM 121 CA TRP A 11 -9.772 6.765 -3.607 1.00 0.49 C ATOM 122 C TRP A 11 -10.596 6.625 -4.882 1.00 0.42 C ATOM 123 O TRP A 11 -11.673 7.212 -5.003 1.00 0.45 O ATOM 124 CB TRP A 11 -10.294 5.796 -2.546 1.00 0.60 C ATOM 125 CG TRP A 11 -11.721 6.045 -2.172 1.00 0.83 C ATOM 126 CD1 TRP A 11 -12.829 5.704 -2.893 1.00 1.71 C ATOM 127 CD2 TRP A 11 -12.197 6.692 -0.986 1.00 1.65 C ATOM 128 NE1 TRP A 11 -13.964 6.099 -2.228 1.00 2.26 N ATOM 129 CE2 TRP A 11 -13.603 6.707 -1.055 1.00 2.17 C ATOM 130 CE3 TRP A 11 -11.572 7.258 0.128 1.00 2.60 C ATOM 131 CZ2 TRP A 11 -14.392 7.267 -0.053 1.00 3.03 C ATOM 132 CZ3 TRP A 11 -12.356 7.813 1.122 1.00 3.54 C ATOM 133 CH2 TRP A 11 -13.753 7.813 1.026 1.00 3.60 C ATOM 0 H TRP A 11 -10.059 8.210 -2.117 1.00 0.47 H new ATOM 0 HA TRP A 11 -8.735 6.523 -3.838 1.00 0.49 H new ATOM 0 HB2 TRP A 11 -10.195 4.775 -2.915 1.00 0.60 H new ATOM 0 HB3 TRP A 11 -9.672 5.874 -1.654 1.00 0.60 H new ATOM 0 HD1 TRP A 11 -12.815 5.198 -3.847 1.00 1.71 H new ATOM 0 HE1 TRP A 11 -14.920 5.962 -2.555 1.00 2.26 H new ATOM 0 HE3 TRP A 11 -10.495 7.262 0.211 1.00 2.60 H new ATOM 0 HZ2 TRP A 11 -15.470 7.270 -0.125 1.00 3.03 H new ATOM 0 HZ3 TRP A 11 -11.883 8.254 1.987 1.00 3.54 H new ATOM 0 HH2 TRP A 11 -14.338 8.253 1.820 1.00 3.60 H new ATOM 144 N THR A 12 -10.090 5.841 -5.825 1.00 0.45 N ATOM 145 CA THR A 12 -10.786 5.617 -7.087 1.00 0.50 C ATOM 146 C THR A 12 -11.517 4.280 -7.076 1.00 0.55 C ATOM 147 O THR A 12 -12.742 4.231 -7.200 1.00 0.64 O ATOM 148 CB THR A 12 -9.812 5.646 -8.280 1.00 0.61 C ATOM 149 OG1 THR A 12 -8.908 6.748 -8.151 1.00 1.28 O ATOM 150 CG2 THR A 12 -10.571 5.760 -9.594 1.00 1.23 C ATOM 0 H THR A 12 -9.200 5.349 -5.741 1.00 0.45 H new ATOM 0 HA THR A 12 -11.508 6.426 -7.199 1.00 0.50 H new ATOM 0 HB THR A 12 -9.248 4.713 -8.281 1.00 0.61 H new ATOM 0 HG1 THR A 12 -8.292 6.757 -8.913 1.00 1.28 H new ATOM 0 HG21 THR A 12 -9.863 5.779 -10.423 1.00 1.23 H new ATOM 0 HG22 THR A 12 -11.237 4.904 -9.705 1.00 1.23 H new ATOM 0 HG23 THR A 12 -11.157 6.679 -9.597 1.00 1.23 H new ATOM 158 N ASN A 13 -10.762 3.200 -6.907 1.00 0.56 N ATOM 159 CA ASN A 13 -11.339 1.861 -6.857 1.00 0.66 C ATOM 160 C ASN A 13 -11.419 1.366 -5.418 1.00 0.63 C ATOM 161 O ASN A 13 -10.583 1.716 -4.586 1.00 0.58 O ATOM 162 CB ASN A 13 -10.508 0.885 -7.696 1.00 0.73 C ATOM 163 CG ASN A 13 -11.001 -0.545 -7.578 1.00 1.35 C ATOM 164 OD1 ASN A 13 -10.262 -1.436 -7.158 1.00 2.05 O ATOM 165 ND2 ASN A 13 -12.256 -0.772 -7.949 1.00 1.96 N ATOM 0 H ASN A 13 -9.748 3.225 -6.802 1.00 0.56 H new ATOM 0 HA ASN A 13 -12.347 1.911 -7.269 1.00 0.66 H new ATOM 0 HB2 ASN A 13 -10.539 1.192 -8.741 1.00 0.73 H new ATOM 0 HB3 ASN A 13 -9.466 0.934 -7.380 1.00 0.73 H new ATOM 0 HD21 ASN A 13 -12.642 -1.714 -7.892 1.00 1.96 H new ATOM 0 HD22 ASN A 13 -12.833 -0.004 -8.291 1.00 1.96 H new ATOM 172 N THR A 14 -12.418 0.538 -5.133 1.00 0.74 N ATOM 173 CA THR A 14 -12.582 -0.014 -3.797 1.00 0.78 C ATOM 174 C THR A 14 -11.510 -1.061 -3.524 1.00 0.76 C ATOM 175 O THR A 14 -11.236 -1.914 -4.370 1.00 0.78 O ATOM 176 CB THR A 14 -13.972 -0.649 -3.612 1.00 0.92 C ATOM 177 OG1 THR A 14 -14.910 -0.046 -4.511 1.00 1.06 O ATOM 178 CG2 THR A 14 -14.461 -0.487 -2.181 1.00 1.15 C ATOM 0 H THR A 14 -13.122 0.237 -5.807 1.00 0.74 H new ATOM 0 HA THR A 14 -12.483 0.809 -3.090 1.00 0.78 H new ATOM 0 HB THR A 14 -13.889 -1.714 -3.831 1.00 0.92 H new ATOM 0 HG1 THR A 14 -15.791 -0.457 -4.388 1.00 1.06 H new ATOM 0 HG21 THR A 14 -15.445 -0.945 -2.079 1.00 1.15 H new ATOM 0 HG22 THR A 14 -13.762 -0.973 -1.500 1.00 1.15 H new ATOM 0 HG23 THR A 14 -14.527 0.573 -1.937 1.00 1.15 H new ATOM 186 N GLU A 15 -10.929 -1.024 -2.331 1.00 0.76 N ATOM 187 CA GLU A 15 -9.908 -1.995 -1.955 1.00 0.77 C ATOM 188 C GLU A 15 -10.547 -3.329 -1.581 1.00 0.82 C ATOM 189 O GLU A 15 -9.885 -4.369 -1.575 1.00 0.82 O ATOM 190 CB GLU A 15 -9.082 -1.466 -0.780 1.00 0.79 C ATOM 191 CG GLU A 15 -8.867 0.038 -0.811 1.00 1.35 C ATOM 192 CD GLU A 15 -8.258 0.513 -2.116 1.00 1.75 C ATOM 193 OE1 GLU A 15 -8.760 0.109 -3.186 1.00 2.50 O ATOM 194 OE2 GLU A 15 -7.277 1.286 -2.067 1.00 2.06 O ATOM 0 H GLU A 15 -11.146 -0.336 -1.610 1.00 0.76 H new ATOM 0 HA GLU A 15 -9.251 -2.150 -2.811 1.00 0.77 H new ATOM 0 HB2 GLU A 15 -9.580 -1.734 0.152 1.00 0.79 H new ATOM 0 HB3 GLU A 15 -8.112 -1.963 -0.777 1.00 0.79 H new ATOM 0 HG2 GLU A 15 -9.821 0.541 -0.655 1.00 1.35 H new ATOM 0 HG3 GLU A 15 -8.217 0.325 0.015 1.00 1.35 H new ATOM 201 N LYS A 16 -11.849 -3.296 -1.313 1.00 0.88 N ATOM 202 CA LYS A 16 -12.579 -4.501 -0.977 1.00 0.95 C ATOM 203 C LYS A 16 -12.798 -5.341 -2.229 1.00 0.98 C ATOM 204 O LYS A 16 -13.072 -6.539 -2.142 1.00 1.01 O ATOM 205 CB LYS A 16 -13.926 -4.151 -0.336 1.00 1.04 C ATOM 206 CG LYS A 16 -14.839 -5.352 -0.142 1.00 1.44 C ATOM 207 CD LYS A 16 -16.146 -4.956 0.526 1.00 1.61 C ATOM 208 CE LYS A 16 -17.078 -6.148 0.680 1.00 2.37 C ATOM 209 NZ LYS A 16 -16.743 -6.965 1.879 1.00 2.83 N ATOM 0 H LYS A 16 -12.414 -2.447 -1.323 1.00 0.88 H new ATOM 0 HA LYS A 16 -11.993 -5.076 -0.260 1.00 0.95 H new ATOM 0 HB2 LYS A 16 -13.747 -3.681 0.631 1.00 1.04 H new ATOM 0 HB3 LYS A 16 -14.435 -3.415 -0.959 1.00 1.04 H new ATOM 0 HG2 LYS A 16 -15.048 -5.812 -1.108 1.00 1.44 H new ATOM 0 HG3 LYS A 16 -14.332 -6.102 0.465 1.00 1.44 H new ATOM 0 HD2 LYS A 16 -15.939 -4.526 1.506 1.00 1.61 H new ATOM 0 HD3 LYS A 16 -16.638 -4.183 -0.064 1.00 1.61 H new ATOM 0 HE2 LYS A 16 -18.107 -5.797 0.756 1.00 2.37 H new ATOM 0 HE3 LYS A 16 -17.020 -6.772 -0.212 1.00 2.37 H new ATOM 0 HZ1 LYS A 16 -17.401 -7.767 1.948 1.00 2.83 H new ATOM 0 HZ2 LYS A 16 -15.770 -7.322 1.795 1.00 2.83 H new ATOM 0 HZ3 LYS A 16 -16.823 -6.377 2.733 1.00 2.83 H new ATOM 223 N MET A 17 -12.682 -4.708 -3.398 1.00 0.98 N ATOM 224 CA MET A 17 -12.874 -5.407 -4.657 1.00 1.04 C ATOM 225 C MET A 17 -11.552 -5.605 -5.393 1.00 1.03 C ATOM 226 O MET A 17 -11.547 -6.002 -6.557 1.00 1.17 O ATOM 227 CB MET A 17 -13.843 -4.627 -5.548 1.00 1.21 C ATOM 228 CG MET A 17 -15.145 -4.263 -4.856 1.00 1.44 C ATOM 229 SD MET A 17 -16.153 -5.709 -4.475 1.00 1.83 S ATOM 230 CE MET A 17 -16.658 -6.210 -6.120 1.00 2.16 C ATOM 0 H MET A 17 -12.457 -3.718 -3.493 1.00 0.98 H new ATOM 0 HA MET A 17 -13.290 -6.389 -4.431 1.00 1.04 H new ATOM 0 HB2 MET A 17 -13.355 -3.714 -5.889 1.00 1.21 H new ATOM 0 HB3 MET A 17 -14.066 -5.220 -6.435 1.00 1.21 H new ATOM 0 HG2 MET A 17 -14.925 -3.725 -3.934 1.00 1.44 H new ATOM 0 HG3 MET A 17 -15.714 -3.585 -5.493 1.00 1.44 H new ATOM 0 HE1 MET A 17 -17.521 -6.872 -6.050 1.00 2.16 H new ATOM 0 HE2 MET A 17 -16.923 -5.328 -6.703 1.00 2.16 H new ATOM 0 HE3 MET A 17 -15.837 -6.735 -6.609 1.00 2.16 H new ATOM 240 N GLU A 18 -10.430 -5.328 -4.725 1.00 0.95 N ATOM 241 CA GLU A 18 -9.134 -5.493 -5.370 1.00 1.06 C ATOM 242 C GLU A 18 -7.977 -5.188 -4.429 1.00 0.96 C ATOM 243 O GLU A 18 -7.029 -4.498 -4.807 1.00 1.57 O ATOM 244 CB GLU A 18 -9.041 -4.590 -6.600 1.00 1.43 C ATOM 245 CG GLU A 18 -8.190 -5.170 -7.715 1.00 1.29 C ATOM 246 CD GLU A 18 -6.802 -5.566 -7.247 1.00 2.13 C ATOM 247 OE1 GLU A 18 -5.894 -4.712 -7.292 1.00 2.56 O ATOM 248 OE2 GLU A 18 -6.627 -6.731 -6.833 1.00 2.88 O ATOM 0 H GLU A 18 -10.395 -4.996 -3.761 1.00 0.95 H new ATOM 0 HA GLU A 18 -9.055 -6.539 -5.666 1.00 1.06 H new ATOM 0 HB2 GLU A 18 -10.045 -4.403 -6.980 1.00 1.43 H new ATOM 0 HB3 GLU A 18 -8.628 -3.626 -6.303 1.00 1.43 H new ATOM 0 HG2 GLU A 18 -8.691 -6.043 -8.132 1.00 1.29 H new ATOM 0 HG3 GLU A 18 -8.103 -4.438 -8.518 1.00 1.29 H new ATOM 255 N LYS A 19 -8.037 -5.707 -3.207 1.00 0.84 N ATOM 256 CA LYS A 19 -6.961 -5.476 -2.256 1.00 1.08 C ATOM 257 C LYS A 19 -7.177 -6.210 -0.938 1.00 0.87 C ATOM 258 O LYS A 19 -6.246 -6.823 -0.417 1.00 0.87 O ATOM 259 CB LYS A 19 -6.776 -3.979 -1.999 1.00 1.66 C ATOM 260 CG LYS A 19 -5.314 -3.537 -1.939 1.00 2.57 C ATOM 261 CD LYS A 19 -4.423 -4.571 -1.260 1.00 2.87 C ATOM 262 CE LYS A 19 -3.030 -4.026 -0.992 1.00 3.55 C ATOM 263 NZ LYS A 19 -2.226 -4.953 -0.149 1.00 4.14 N ATOM 0 H LYS A 19 -8.805 -6.280 -2.858 1.00 0.84 H new ATOM 0 HA LYS A 19 -6.054 -5.879 -2.708 1.00 1.08 H new ATOM 0 HB2 LYS A 19 -7.282 -3.420 -2.786 1.00 1.66 H new ATOM 0 HB3 LYS A 19 -7.263 -3.719 -1.059 1.00 1.66 H new ATOM 0 HG2 LYS A 19 -4.950 -3.355 -2.950 1.00 2.57 H new ATOM 0 HG3 LYS A 19 -5.245 -2.592 -1.401 1.00 2.57 H new ATOM 0 HD2 LYS A 19 -4.879 -4.882 -0.320 1.00 2.87 H new ATOM 0 HD3 LYS A 19 -4.351 -5.458 -1.889 1.00 2.87 H new ATOM 0 HE2 LYS A 19 -2.517 -3.859 -1.939 1.00 3.55 H new ATOM 0 HE3 LYS A 19 -3.107 -3.058 -0.496 1.00 3.55 H new ATOM 0 HZ1 LYS A 19 -1.441 -4.431 0.290 1.00 4.14 H new ATOM 0 HZ2 LYS A 19 -2.830 -5.359 0.594 1.00 4.14 H new ATOM 0 HZ3 LYS A 19 -1.844 -5.718 -0.741 1.00 4.14 H new ATOM 277 N ARG A 20 -8.391 -6.156 -0.390 1.00 0.98 N ATOM 278 CA ARG A 20 -8.651 -6.829 0.878 1.00 0.92 C ATOM 279 C ARG A 20 -8.533 -8.332 0.696 1.00 0.94 C ATOM 280 O ARG A 20 -7.433 -8.863 0.780 1.00 1.30 O ATOM 281 CB ARG A 20 -10.026 -6.469 1.447 1.00 0.95 C ATOM 282 CG ARG A 20 -10.435 -7.272 2.673 1.00 1.64 C ATOM 283 CD ARG A 20 -11.940 -7.245 2.883 1.00 2.15 C ATOM 284 NE ARG A 20 -12.333 -6.243 3.871 1.00 2.67 N ATOM 285 CZ ARG A 20 -12.213 -6.417 5.182 1.00 3.29 C ATOM 286 NH1 ARG A 20 -11.729 -7.555 5.661 1.00 3.51 N ATOM 287 NH2 ARG A 20 -12.578 -5.454 6.016 1.00 4.11 N ATOM 0 H ARG A 20 -9.190 -5.666 -0.793 1.00 0.98 H new ATOM 0 HA ARG A 20 -7.905 -6.488 1.596 1.00 0.92 H new ATOM 0 HB2 ARG A 20 -10.032 -5.410 1.704 1.00 0.95 H new ATOM 0 HB3 ARG A 20 -10.775 -6.612 0.669 1.00 0.95 H new ATOM 0 HG2 ARG A 20 -10.101 -8.304 2.561 1.00 1.64 H new ATOM 0 HG3 ARG A 20 -9.937 -6.870 3.555 1.00 1.64 H new ATOM 0 HD2 ARG A 20 -12.435 -7.034 1.935 1.00 2.15 H new ATOM 0 HD3 ARG A 20 -12.279 -8.229 3.208 1.00 2.15 H new ATOM 0 HE ARG A 20 -12.721 -5.361 3.535 1.00 2.67 H new ATOM 0 HH11 ARG A 20 -11.448 -8.299 5.022 1.00 3.51 H new ATOM 0 HH12 ARG A 20 -11.638 -7.686 6.668 1.00 3.51 H new ATOM 0 HH21 ARG A 20 -12.952 -4.578 5.651 1.00 4.11 H new ATOM 0 HH22 ARG A 20 -12.485 -5.589 7.023 1.00 4.11 H new ATOM 301 N LEU A 21 -9.648 -9.010 0.422 1.00 1.59 N ATOM 302 CA LEU A 21 -9.628 -10.453 0.233 1.00 1.80 C ATOM 303 C LEU A 21 -8.975 -10.793 -1.090 1.00 1.48 C ATOM 304 O LEU A 21 -9.616 -10.746 -2.140 1.00 2.41 O ATOM 305 CB LEU A 21 -11.055 -11.008 0.264 1.00 3.05 C ATOM 306 CG LEU A 21 -11.180 -12.453 0.749 1.00 3.76 C ATOM 307 CD1 LEU A 21 -12.331 -12.589 1.734 1.00 4.55 C ATOM 308 CD2 LEU A 21 -11.368 -13.396 -0.430 1.00 4.31 C ATOM 0 H LEU A 21 -10.569 -8.582 0.327 1.00 1.59 H new ATOM 0 HA LEU A 21 -9.053 -10.905 1.042 1.00 1.80 H new ATOM 0 HB2 LEU A 21 -11.662 -10.371 0.908 1.00 3.05 H new ATOM 0 HB3 LEU A 21 -11.476 -10.940 -0.739 1.00 3.05 H new ATOM 0 HG LEU A 21 -10.258 -12.725 1.262 1.00 3.76 H new ATOM 0 HD11 LEU A 21 -12.404 -13.624 2.068 1.00 4.55 H new ATOM 0 HD12 LEU A 21 -12.153 -11.942 2.593 1.00 4.55 H new ATOM 0 HD13 LEU A 21 -13.262 -12.298 1.248 1.00 4.55 H new ATOM 0 HD21 LEU A 21 -11.455 -14.420 -0.067 1.00 4.31 H new ATOM 0 HD22 LEU A 21 -12.274 -13.125 -0.972 1.00 4.31 H new ATOM 0 HD23 LEU A 21 -10.510 -13.320 -1.097 1.00 4.31 H new ATOM 320 N HIS A 22 -7.690 -11.150 -1.038 1.00 0.87 N ATOM 321 CA HIS A 22 -6.954 -11.513 -2.239 1.00 1.59 C ATOM 322 C HIS A 22 -6.106 -12.761 -1.995 1.00 1.16 C ATOM 323 O HIS A 22 -5.863 -13.146 -0.847 1.00 1.19 O ATOM 324 CB HIS A 22 -6.066 -10.353 -2.691 1.00 2.66 C ATOM 325 CG HIS A 22 -6.151 -10.080 -4.160 1.00 3.21 C ATOM 326 ND1 HIS A 22 -5.470 -10.822 -5.103 1.00 4.07 N ATOM 327 CD2 HIS A 22 -6.843 -9.143 -4.849 1.00 3.32 C ATOM 328 CE1 HIS A 22 -5.741 -10.352 -6.308 1.00 4.62 C ATOM 329 NE2 HIS A 22 -6.571 -9.333 -6.182 1.00 4.23 N ATOM 0 H HIS A 22 -7.144 -11.194 -0.178 1.00 0.87 H new ATOM 0 HA HIS A 22 -7.674 -11.732 -3.028 1.00 1.59 H new ATOM 0 HB2 HIS A 22 -6.349 -9.453 -2.144 1.00 2.66 H new ATOM 0 HB3 HIS A 22 -5.031 -10.573 -2.429 1.00 2.66 H new ATOM 0 HD2 HIS A 22 -7.489 -8.386 -4.429 1.00 3.32 H new ATOM 0 HE1 HIS A 22 -5.350 -10.736 -7.238 1.00 4.62 H new ATOM 0 HE2 HIS A 22 -6.949 -8.777 -6.949 1.00 4.23 H new ATOM 338 N ALA A 23 -5.641 -13.375 -3.076 1.00 1.06 N ATOM 339 CA ALA A 23 -4.801 -14.566 -2.978 1.00 0.93 C ATOM 340 C ALA A 23 -3.370 -14.245 -3.390 1.00 0.84 C ATOM 341 O ALA A 23 -3.121 -13.830 -4.522 1.00 0.97 O ATOM 342 CB ALA A 23 -5.367 -15.684 -3.841 1.00 1.21 C ATOM 0 H ALA A 23 -5.830 -13.070 -4.031 1.00 1.06 H new ATOM 0 HA ALA A 23 -4.792 -14.900 -1.940 1.00 0.93 H new ATOM 0 HB1 ALA A 23 -4.731 -16.565 -3.758 1.00 1.21 H new ATOM 0 HB2 ALA A 23 -6.374 -15.930 -3.503 1.00 1.21 H new ATOM 0 HB3 ALA A 23 -5.403 -15.359 -4.881 1.00 1.21 H new ATOM 348 N VAL A 24 -2.430 -14.425 -2.465 1.00 0.78 N ATOM 349 CA VAL A 24 -1.028 -14.137 -2.746 1.00 0.74 C ATOM 350 C VAL A 24 -0.167 -15.399 -2.691 1.00 0.68 C ATOM 351 O VAL A 24 -0.255 -16.176 -1.740 1.00 0.77 O ATOM 352 CB VAL A 24 -0.458 -13.112 -1.749 1.00 0.81 C ATOM 353 CG1 VAL A 24 0.960 -12.725 -2.134 1.00 1.32 C ATOM 354 CG2 VAL A 24 -1.353 -11.885 -1.670 1.00 1.30 C ATOM 0 H VAL A 24 -2.613 -14.766 -1.521 1.00 0.78 H new ATOM 0 HA VAL A 24 -0.996 -13.726 -3.755 1.00 0.74 H new ATOM 0 HB VAL A 24 -0.428 -13.572 -0.761 1.00 0.81 H new ATOM 0 HG11 VAL A 24 1.346 -12.000 -1.418 1.00 1.32 H new ATOM 0 HG12 VAL A 24 1.593 -13.612 -2.129 1.00 1.32 H new ATOM 0 HG13 VAL A 24 0.959 -12.285 -3.131 1.00 1.32 H new ATOM 0 HG21 VAL A 24 -0.932 -11.173 -0.960 1.00 1.30 H new ATOM 0 HG22 VAL A 24 -1.420 -11.420 -2.653 1.00 1.30 H new ATOM 0 HG23 VAL A 24 -2.349 -12.181 -1.340 1.00 1.30 H new ATOM 364 N PRO A 25 0.692 -15.615 -3.706 1.00 0.61 N ATOM 365 CA PRO A 25 1.575 -16.778 -3.757 1.00 0.63 C ATOM 366 C PRO A 25 2.837 -16.570 -2.927 1.00 0.57 C ATOM 367 O PRO A 25 3.374 -15.463 -2.865 1.00 0.52 O ATOM 368 CB PRO A 25 1.914 -16.884 -5.240 1.00 0.72 C ATOM 369 CG PRO A 25 1.866 -15.479 -5.743 1.00 0.71 C ATOM 370 CD PRO A 25 0.874 -14.737 -4.878 1.00 0.65 C ATOM 0 HA PRO A 25 1.111 -17.676 -3.348 1.00 0.63 H new ATOM 0 HB2 PRO A 25 2.900 -17.325 -5.390 1.00 0.72 H new ATOM 0 HB3 PRO A 25 1.199 -17.517 -5.765 1.00 0.72 H new ATOM 0 HG2 PRO A 25 2.851 -15.015 -5.687 1.00 0.71 H new ATOM 0 HG3 PRO A 25 1.561 -15.454 -6.789 1.00 0.71 H new ATOM 0 HD2 PRO A 25 1.253 -13.757 -4.587 1.00 0.65 H new ATOM 0 HD3 PRO A 25 -0.067 -14.572 -5.402 1.00 0.65 H new ATOM 378 N ALA A 26 3.305 -17.635 -2.286 1.00 0.61 N ATOM 379 CA ALA A 26 4.500 -17.563 -1.454 1.00 0.60 C ATOM 380 C ALA A 26 5.767 -17.465 -2.298 1.00 0.54 C ATOM 381 O ALA A 26 5.851 -18.042 -3.381 1.00 0.58 O ATOM 382 CB ALA A 26 4.571 -18.771 -0.531 1.00 0.71 C ATOM 0 H ALA A 26 2.875 -18.559 -2.327 1.00 0.61 H new ATOM 0 HA ALA A 26 4.433 -16.657 -0.852 1.00 0.60 H new ATOM 0 HB1 ALA A 26 5.468 -18.706 0.085 1.00 0.71 H new ATOM 0 HB2 ALA A 26 3.690 -18.791 0.111 1.00 0.71 H new ATOM 0 HB3 ALA A 26 4.606 -19.683 -1.127 1.00 0.71 H new ATOM 388 N ALA A 27 6.754 -16.733 -1.785 1.00 0.50 N ATOM 389 CA ALA A 27 8.026 -16.556 -2.478 1.00 0.48 C ATOM 390 C ALA A 27 7.892 -15.653 -3.706 1.00 0.43 C ATOM 391 O ALA A 27 8.813 -15.566 -4.519 1.00 0.46 O ATOM 392 CB ALA A 27 8.596 -17.907 -2.881 1.00 0.55 C ATOM 0 H ALA A 27 6.695 -16.251 -0.888 1.00 0.50 H new ATOM 0 HA ALA A 27 8.709 -16.065 -1.785 1.00 0.48 H new ATOM 0 HB1 ALA A 27 9.545 -17.762 -3.397 1.00 0.55 H new ATOM 0 HB2 ALA A 27 8.756 -18.515 -1.990 1.00 0.55 H new ATOM 0 HB3 ALA A 27 7.896 -18.414 -3.545 1.00 0.55 H new ATOM 398 N ASN A 28 6.750 -14.984 -3.839 1.00 0.39 N ATOM 399 CA ASN A 28 6.515 -14.094 -4.970 1.00 0.36 C ATOM 400 C ASN A 28 6.374 -12.650 -4.503 1.00 0.30 C ATOM 401 O ASN A 28 6.249 -12.384 -3.307 1.00 0.29 O ATOM 402 CB ASN A 28 5.257 -14.516 -5.728 1.00 0.40 C ATOM 403 CG ASN A 28 5.379 -14.287 -7.222 1.00 0.77 C ATOM 404 OD1 ASN A 28 5.981 -15.086 -7.938 1.00 1.42 O ATOM 405 ND2 ASN A 28 4.808 -13.187 -7.701 1.00 1.36 N ATOM 0 H ASN A 28 5.975 -15.042 -3.179 1.00 0.39 H new ATOM 0 HA ASN A 28 7.374 -14.163 -5.637 1.00 0.36 H new ATOM 0 HB2 ASN A 28 5.059 -15.571 -5.540 1.00 0.40 H new ATOM 0 HB3 ASN A 28 4.402 -13.958 -5.346 1.00 0.40 H new ATOM 0 HD21 ASN A 28 4.859 -12.979 -8.698 1.00 1.36 H new ATOM 0 HD22 ASN A 28 4.318 -12.551 -7.072 1.00 1.36 H new ATOM 412 N THR A 29 6.391 -11.719 -5.451 1.00 0.30 N ATOM 413 CA THR A 29 6.260 -10.304 -5.123 1.00 0.28 C ATOM 414 C THR A 29 4.802 -9.955 -4.869 1.00 0.30 C ATOM 415 O THR A 29 3.903 -10.506 -5.505 1.00 0.33 O ATOM 416 CB THR A 29 6.807 -9.400 -6.245 1.00 0.32 C ATOM 417 OG1 THR A 29 6.338 -8.057 -6.062 1.00 0.96 O ATOM 418 CG2 THR A 29 6.379 -9.907 -7.613 1.00 0.92 C ATOM 0 H THR A 29 6.493 -11.917 -6.446 1.00 0.30 H new ATOM 0 HA THR A 29 6.849 -10.127 -4.223 1.00 0.28 H new ATOM 0 HB THR A 29 7.896 -9.418 -6.195 1.00 0.32 H new ATOM 0 HG1 THR A 29 7.098 -7.468 -5.874 1.00 0.96 H new ATOM 0 HG21 THR A 29 6.779 -9.250 -8.386 1.00 0.92 H new ATOM 0 HG22 THR A 29 6.760 -10.917 -7.762 1.00 0.92 H new ATOM 0 HG23 THR A 29 5.291 -9.917 -7.673 1.00 0.92 H new ATOM 426 N VAL A 30 4.567 -9.062 -3.915 1.00 0.33 N ATOM 427 CA VAL A 30 3.210 -8.678 -3.561 1.00 0.39 C ATOM 428 C VAL A 30 2.772 -7.368 -4.204 1.00 0.35 C ATOM 429 O VAL A 30 3.403 -6.325 -4.031 1.00 0.35 O ATOM 430 CB VAL A 30 3.046 -8.563 -2.034 1.00 0.47 C ATOM 431 CG1 VAL A 30 1.573 -8.506 -1.658 1.00 0.56 C ATOM 432 CG2 VAL A 30 3.736 -9.725 -1.334 1.00 0.57 C ATOM 0 H VAL A 30 5.296 -8.594 -3.376 1.00 0.33 H new ATOM 0 HA VAL A 30 2.571 -9.472 -3.947 1.00 0.39 H new ATOM 0 HB VAL A 30 3.518 -7.637 -1.705 1.00 0.47 H new ATOM 0 HG11 VAL A 30 1.477 -8.425 -0.575 1.00 0.56 H new ATOM 0 HG12 VAL A 30 1.110 -7.639 -2.129 1.00 0.56 H new ATOM 0 HG13 VAL A 30 1.075 -9.413 -2.000 1.00 0.56 H new ATOM 0 HG21 VAL A 30 3.610 -9.627 -0.256 1.00 0.57 H new ATOM 0 HG22 VAL A 30 3.295 -10.664 -1.667 1.00 0.57 H new ATOM 0 HG23 VAL A 30 4.799 -9.717 -1.577 1.00 0.57 H new ATOM 442 N LYS A 31 1.660 -7.443 -4.924 1.00 0.34 N ATOM 443 CA LYS A 31 1.087 -6.272 -5.577 1.00 0.33 C ATOM 444 C LYS A 31 0.250 -5.494 -4.574 1.00 0.33 C ATOM 445 O LYS A 31 -0.630 -6.056 -3.923 1.00 0.38 O ATOM 446 CB LYS A 31 0.227 -6.662 -6.787 1.00 0.38 C ATOM 447 CG LYS A 31 -0.608 -5.513 -7.341 1.00 0.60 C ATOM 448 CD LYS A 31 -2.101 -5.814 -7.289 1.00 0.82 C ATOM 449 CE LYS A 31 -2.609 -5.904 -5.861 1.00 1.34 C ATOM 450 NZ LYS A 31 -2.392 -7.257 -5.277 1.00 1.98 N ATOM 0 H LYS A 31 1.135 -8.305 -5.071 1.00 0.34 H new ATOM 0 HA LYS A 31 1.905 -5.650 -5.941 1.00 0.33 H new ATOM 0 HB2 LYS A 31 0.876 -7.041 -7.576 1.00 0.38 H new ATOM 0 HB3 LYS A 31 -0.437 -7.478 -6.502 1.00 0.38 H new ATOM 0 HG2 LYS A 31 -0.401 -4.607 -6.771 1.00 0.60 H new ATOM 0 HG3 LYS A 31 -0.314 -5.315 -8.372 1.00 0.60 H new ATOM 0 HD2 LYS A 31 -2.647 -5.035 -7.821 1.00 0.82 H new ATOM 0 HD3 LYS A 31 -2.301 -6.753 -7.806 1.00 0.82 H new ATOM 0 HE2 LYS A 31 -2.102 -5.159 -5.248 1.00 1.34 H new ATOM 0 HE3 LYS A 31 -3.672 -5.665 -5.839 1.00 1.34 H new ATOM 0 HZ1 LYS A 31 -3.221 -7.528 -4.710 1.00 1.98 H new ATOM 0 HZ2 LYS A 31 -2.255 -7.948 -6.042 1.00 1.98 H new ATOM 0 HZ3 LYS A 31 -1.548 -7.242 -4.670 1.00 1.98 H new ATOM 464 N PHE A 32 0.521 -4.204 -4.452 1.00 0.31 N ATOM 465 CA PHE A 32 -0.229 -3.375 -3.528 1.00 0.35 C ATOM 466 C PHE A 32 -0.977 -2.289 -4.287 1.00 0.32 C ATOM 467 O PHE A 32 -0.375 -1.464 -4.973 1.00 0.32 O ATOM 468 CB PHE A 32 0.712 -2.763 -2.488 1.00 0.44 C ATOM 469 CG PHE A 32 0.018 -2.301 -1.239 1.00 0.90 C ATOM 470 CD1 PHE A 32 -1.010 -1.373 -1.300 1.00 1.64 C ATOM 471 CD2 PHE A 32 0.398 -2.794 -0.001 1.00 1.21 C ATOM 472 CE1 PHE A 32 -1.645 -0.948 -0.150 1.00 2.28 C ATOM 473 CE2 PHE A 32 -0.234 -2.373 1.152 1.00 1.91 C ATOM 474 CZ PHE A 32 -1.256 -1.448 1.078 1.00 2.35 C ATOM 0 H PHE A 32 1.247 -3.715 -4.976 1.00 0.31 H new ATOM 0 HA PHE A 32 -0.960 -3.994 -3.007 1.00 0.35 H new ATOM 0 HB2 PHE A 32 1.470 -3.499 -2.220 1.00 0.44 H new ATOM 0 HB3 PHE A 32 1.233 -1.917 -2.937 1.00 0.44 H new ATOM 0 HD1 PHE A 32 -1.317 -0.978 -2.257 1.00 1.64 H new ATOM 0 HD2 PHE A 32 1.198 -3.516 0.063 1.00 1.21 H new ATOM 0 HE1 PHE A 32 -2.445 -0.225 -0.210 1.00 2.28 H new ATOM 0 HE2 PHE A 32 0.071 -2.767 2.110 1.00 1.91 H new ATOM 0 HZ PHE A 32 -1.751 -1.116 1.979 1.00 2.35 H new ATOM 484 N ARG A 33 -2.298 -2.322 -4.186 1.00 0.36 N ATOM 485 CA ARG A 33 -3.138 -1.364 -4.887 1.00 0.39 C ATOM 486 C ARG A 33 -3.850 -0.425 -3.919 1.00 0.40 C ATOM 487 O ARG A 33 -4.491 -0.861 -2.961 1.00 0.43 O ATOM 488 CB ARG A 33 -4.154 -2.111 -5.754 1.00 0.47 C ATOM 489 CG ARG A 33 -3.796 -2.131 -7.232 1.00 0.80 C ATOM 490 CD ARG A 33 -2.345 -2.531 -7.450 1.00 0.53 C ATOM 491 NE ARG A 33 -2.071 -2.846 -8.850 1.00 1.09 N ATOM 492 CZ ARG A 33 -0.852 -3.081 -9.329 1.00 1.56 C ATOM 493 NH1 ARG A 33 0.201 -3.039 -8.522 1.00 2.10 N ATOM 494 NH2 ARG A 33 -0.685 -3.359 -10.614 1.00 2.12 N ATOM 0 H ARG A 33 -2.811 -3.002 -3.625 1.00 0.36 H new ATOM 0 HA ARG A 33 -2.499 -0.751 -5.522 1.00 0.39 H new ATOM 0 HB2 ARG A 33 -4.240 -3.137 -5.396 1.00 0.47 H new ATOM 0 HB3 ARG A 33 -5.133 -1.648 -5.632 1.00 0.47 H new ATOM 0 HG2 ARG A 33 -4.449 -2.829 -7.756 1.00 0.80 H new ATOM 0 HG3 ARG A 33 -3.971 -1.145 -7.663 1.00 0.80 H new ATOM 0 HD2 ARG A 33 -1.692 -1.720 -7.126 1.00 0.53 H new ATOM 0 HD3 ARG A 33 -2.110 -3.396 -6.830 1.00 0.53 H new ATOM 0 HE ARG A 33 -2.859 -2.888 -9.497 1.00 1.09 H new ATOM 0 HH11 ARG A 33 0.077 -2.826 -7.532 1.00 2.10 H new ATOM 0 HH12 ARG A 33 1.134 -3.220 -8.892 1.00 2.10 H new ATOM 0 HH21 ARG A 33 -1.492 -3.393 -11.237 1.00 2.12 H new ATOM 0 HH22 ARG A 33 0.250 -3.539 -10.980 1.00 2.12 H new ATOM 508 N CYS A 34 -3.737 0.872 -4.190 1.00 0.39 N ATOM 509 CA CYS A 34 -4.367 1.899 -3.369 1.00 0.41 C ATOM 510 C CYS A 34 -4.595 3.158 -4.205 1.00 0.41 C ATOM 511 O CYS A 34 -4.070 4.225 -3.896 1.00 0.47 O ATOM 512 CB CYS A 34 -3.498 2.222 -2.145 1.00 0.44 C ATOM 513 SG CYS A 34 -4.422 2.329 -0.573 1.00 0.94 S ATOM 0 H CYS A 34 -3.208 1.239 -4.981 1.00 0.39 H new ATOM 0 HA CYS A 34 -5.328 1.526 -3.015 1.00 0.41 H new ATOM 0 HB2 CYS A 34 -2.728 1.457 -2.049 1.00 0.44 H new ATOM 0 HB3 CYS A 34 -2.986 3.169 -2.317 1.00 0.44 H new ATOM 518 N PRO A 35 -5.381 3.034 -5.293 1.00 0.41 N ATOM 519 CA PRO A 35 -5.676 4.154 -6.201 1.00 0.44 C ATOM 520 C PRO A 35 -6.475 5.266 -5.530 1.00 0.34 C ATOM 521 O PRO A 35 -7.520 5.018 -4.930 1.00 0.34 O ATOM 522 CB PRO A 35 -6.506 3.506 -7.314 1.00 0.57 C ATOM 523 CG PRO A 35 -7.075 2.277 -6.698 1.00 0.54 C ATOM 524 CD PRO A 35 -6.036 1.789 -5.734 1.00 0.44 C ATOM 0 HA PRO A 35 -4.762 4.634 -6.550 1.00 0.44 H new ATOM 0 HB2 PRO A 35 -7.293 4.175 -7.661 1.00 0.57 H new ATOM 0 HB3 PRO A 35 -5.888 3.265 -8.179 1.00 0.57 H new ATOM 0 HG2 PRO A 35 -8.013 2.493 -6.187 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -7.291 1.523 -7.455 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -6.482 1.250 -4.898 1.00 0.44 H new ATOM 0 HD3 PRO A 35 -5.330 1.109 -6.211 1.00 0.44 H new ATOM 532 N ALA A 36 -5.977 6.493 -5.643 1.00 0.35 N ATOM 533 CA ALA A 36 -6.648 7.645 -5.055 1.00 0.33 C ATOM 534 C ALA A 36 -6.263 8.936 -5.767 1.00 0.32 C ATOM 535 O ALA A 36 -5.179 9.475 -5.549 1.00 0.38 O ATOM 536 CB ALA A 36 -6.335 7.743 -3.570 1.00 0.40 C ATOM 0 H ALA A 36 -5.112 6.714 -6.136 1.00 0.35 H new ATOM 0 HA ALA A 36 -7.722 7.504 -5.178 1.00 0.33 H new ATOM 0 HB1 ALA A 36 -6.844 8.609 -3.147 1.00 0.40 H new ATOM 0 HB2 ALA A 36 -6.677 6.839 -3.066 1.00 0.40 H new ATOM 0 HB3 ALA A 36 -5.259 7.851 -3.431 1.00 0.40 H new ATOM 542 N GLY A 37 -7.163 9.434 -6.607 1.00 0.33 N ATOM 543 CA GLY A 37 -6.902 10.666 -7.325 1.00 0.36 C ATOM 544 C GLY A 37 -7.029 11.879 -6.427 1.00 0.35 C ATOM 545 O GLY A 37 -7.970 11.979 -5.639 1.00 0.37 O ATOM 0 H GLY A 37 -8.068 9.006 -6.803 1.00 0.33 H new ATOM 0 HA2 GLY A 37 -5.899 10.633 -7.751 1.00 0.36 H new ATOM 0 HA3 GLY A 37 -7.599 10.756 -8.158 1.00 0.36 H new ATOM 549 N GLY A 38 -6.079 12.801 -6.532 1.00 0.36 N ATOM 550 CA GLY A 38 -6.114 13.990 -5.702 1.00 0.39 C ATOM 551 C GLY A 38 -4.878 14.852 -5.855 1.00 0.37 C ATOM 552 O GLY A 38 -4.508 15.230 -6.967 1.00 0.42 O ATOM 0 H GLY A 38 -5.288 12.747 -7.174 1.00 0.36 H new ATOM 0 HA2 GLY A 38 -6.995 14.579 -5.956 1.00 0.39 H new ATOM 0 HA3 GLY A 38 -6.218 13.695 -4.658 1.00 0.39 H new ATOM 556 N ASN A 39 -4.249 15.176 -4.731 1.00 0.40 N ATOM 557 CA ASN A 39 -3.058 16.017 -4.731 1.00 0.47 C ATOM 558 C ASN A 39 -1.851 15.321 -5.361 1.00 0.36 C ATOM 559 O ASN A 39 -1.807 14.096 -5.465 1.00 0.34 O ATOM 560 CB ASN A 39 -2.710 16.413 -3.292 1.00 0.70 C ATOM 561 CG ASN A 39 -1.975 15.319 -2.514 1.00 2.04 C ATOM 562 OD1 ASN A 39 -1.235 15.615 -1.578 1.00 2.41 O ATOM 563 ND2 ASN A 39 -2.175 14.056 -2.887 1.00 2.89 N ATOM 0 H ASN A 39 -4.545 14.868 -3.805 1.00 0.40 H new ATOM 0 HA ASN A 39 -3.285 16.898 -5.331 1.00 0.47 H new ATOM 0 HB2 ASN A 39 -2.092 17.311 -3.311 1.00 0.70 H new ATOM 0 HB3 ASN A 39 -3.628 16.669 -2.763 1.00 0.70 H new ATOM 0 HD21 ASN A 39 -1.707 13.298 -2.391 1.00 2.89 H new ATOM 0 HD22 ASN A 39 -2.796 13.847 -3.669 1.00 2.89 H new ATOM 570 N PRO A 40 -0.833 16.112 -5.747 1.00 0.39 N ATOM 571 CA PRO A 40 0.399 15.597 -6.319 1.00 0.39 C ATOM 572 C PRO A 40 1.441 15.310 -5.233 1.00 0.34 C ATOM 573 O PRO A 40 2.558 14.882 -5.529 1.00 0.40 O ATOM 574 CB PRO A 40 0.848 16.753 -7.203 1.00 0.51 C ATOM 575 CG PRO A 40 0.406 17.978 -6.469 1.00 0.52 C ATOM 576 CD PRO A 40 -0.786 17.583 -5.623 1.00 0.53 C ATOM 0 HA PRO A 40 0.270 14.654 -6.850 1.00 0.39 H new ATOM 0 HB2 PRO A 40 1.928 16.745 -7.348 1.00 0.51 H new ATOM 0 HB3 PRO A 40 0.393 16.697 -8.192 1.00 0.51 H new ATOM 0 HG2 PRO A 40 1.211 18.364 -5.844 1.00 0.52 H new ATOM 0 HG3 PRO A 40 0.137 18.770 -7.168 1.00 0.52 H new ATOM 0 HD2 PRO A 40 -0.661 17.893 -4.586 1.00 0.53 H new ATOM 0 HD3 PRO A 40 -1.705 18.045 -5.985 1.00 0.53 H new ATOM 584 N MET A 41 1.064 15.552 -3.971 1.00 0.31 N ATOM 585 CA MET A 41 1.953 15.327 -2.837 1.00 0.33 C ATOM 586 C MET A 41 1.338 14.326 -1.862 1.00 0.32 C ATOM 587 O MET A 41 0.860 14.706 -0.792 1.00 0.36 O ATOM 588 CB MET A 41 2.203 16.654 -2.114 1.00 0.39 C ATOM 589 CG MET A 41 3.567 16.745 -1.454 1.00 0.47 C ATOM 590 SD MET A 41 4.924 16.564 -2.628 1.00 1.30 S ATOM 591 CE MET A 41 4.852 18.139 -3.478 1.00 1.83 C ATOM 0 H MET A 41 0.142 15.906 -3.715 1.00 0.31 H new ATOM 0 HA MET A 41 2.895 14.922 -3.207 1.00 0.33 H new ATOM 0 HB2 MET A 41 2.100 17.471 -2.828 1.00 0.39 H new ATOM 0 HB3 MET A 41 1.433 16.795 -1.356 1.00 0.39 H new ATOM 0 HG2 MET A 41 3.657 17.706 -0.947 1.00 0.47 H new ATOM 0 HG3 MET A 41 3.648 15.972 -0.690 1.00 0.47 H new ATOM 0 HE1 MET A 41 5.715 18.237 -4.136 1.00 1.83 H new ATOM 0 HE2 MET A 41 3.938 18.192 -4.069 1.00 1.83 H new ATOM 0 HE3 MET A 41 4.859 18.948 -2.747 1.00 1.83 H new ATOM 601 N PRO A 42 1.328 13.032 -2.216 1.00 0.32 N ATOM 602 CA PRO A 42 0.757 11.988 -1.380 1.00 0.34 C ATOM 603 C PRO A 42 1.785 11.303 -0.485 1.00 0.35 C ATOM 604 O PRO A 42 2.804 10.802 -0.962 1.00 0.43 O ATOM 605 CB PRO A 42 0.230 11.009 -2.424 1.00 0.40 C ATOM 606 CG PRO A 42 1.197 11.111 -3.562 1.00 0.42 C ATOM 607 CD PRO A 42 1.852 12.474 -3.473 1.00 0.36 C ATOM 0 HA PRO A 42 0.012 12.374 -0.685 1.00 0.34 H new ATOM 0 HB2 PRO A 42 0.188 9.994 -2.030 1.00 0.40 H new ATOM 0 HB3 PRO A 42 -0.780 11.271 -2.738 1.00 0.40 H new ATOM 0 HG2 PRO A 42 1.945 10.320 -3.503 1.00 0.42 H new ATOM 0 HG3 PRO A 42 0.683 10.993 -4.516 1.00 0.42 H new ATOM 0 HD2 PRO A 42 2.939 12.395 -3.454 1.00 0.36 H new ATOM 0 HD3 PRO A 42 1.593 13.099 -4.327 1.00 0.36 H new ATOM 615 N THR A 43 1.499 11.265 0.813 1.00 0.32 N ATOM 616 CA THR A 43 2.381 10.619 1.774 1.00 0.35 C ATOM 617 C THR A 43 1.657 9.453 2.433 1.00 0.37 C ATOM 618 O THR A 43 0.799 9.651 3.294 1.00 0.48 O ATOM 619 CB THR A 43 2.861 11.603 2.858 1.00 0.41 C ATOM 620 OG1 THR A 43 2.237 12.880 2.674 1.00 0.94 O ATOM 621 CG2 THR A 43 4.374 11.762 2.817 1.00 1.00 C ATOM 0 H THR A 43 0.660 11.676 1.223 1.00 0.32 H new ATOM 0 HA THR A 43 3.256 10.259 1.233 1.00 0.35 H new ATOM 0 HB THR A 43 2.581 11.199 3.831 1.00 0.41 H new ATOM 0 HG1 THR A 43 1.267 12.788 2.779 1.00 0.94 H new ATOM 0 HG21 THR A 43 4.687 12.462 3.592 1.00 1.00 H new ATOM 0 HG22 THR A 43 4.846 10.795 2.989 1.00 1.00 H new ATOM 0 HG23 THR A 43 4.673 12.144 1.841 1.00 1.00 H new ATOM 629 N MET A 44 1.986 8.239 2.007 1.00 0.35 N ATOM 630 CA MET A 44 1.340 7.044 2.542 1.00 0.41 C ATOM 631 C MET A 44 2.299 6.208 3.379 1.00 0.38 C ATOM 632 O MET A 44 3.507 6.202 3.146 1.00 0.40 O ATOM 633 CB MET A 44 0.765 6.176 1.413 1.00 0.49 C ATOM 634 CG MET A 44 0.533 6.915 0.103 1.00 0.86 C ATOM 635 SD MET A 44 -0.375 5.925 -1.097 1.00 1.82 S ATOM 636 CE MET A 44 0.336 4.309 -0.805 1.00 2.30 C ATOM 0 H MET A 44 2.693 8.055 1.295 1.00 0.35 H new ATOM 0 HA MET A 44 0.529 7.388 3.184 1.00 0.41 H new ATOM 0 HB2 MET A 44 1.444 5.343 1.230 1.00 0.49 H new ATOM 0 HB3 MET A 44 -0.181 5.748 1.746 1.00 0.49 H new ATOM 0 HG2 MET A 44 -0.017 7.835 0.301 1.00 0.86 H new ATOM 0 HG3 MET A 44 1.494 7.204 -0.322 1.00 0.86 H new ATOM 0 HE1 MET A 44 0.025 3.626 -1.596 1.00 2.30 H new ATOM 0 HE2 MET A 44 1.423 4.386 -0.799 1.00 2.30 H new ATOM 0 HE3 MET A 44 -0.006 3.929 0.158 1.00 2.30 H new ATOM 646 N ARG A 45 1.737 5.492 4.345 1.00 0.36 N ATOM 647 CA ARG A 45 2.513 4.627 5.219 1.00 0.34 C ATOM 648 C ARG A 45 2.164 3.169 4.941 1.00 0.32 C ATOM 649 O ARG A 45 1.018 2.847 4.620 1.00 0.34 O ATOM 650 CB ARG A 45 2.246 4.961 6.690 1.00 0.37 C ATOM 651 CG ARG A 45 1.902 6.422 6.939 1.00 0.66 C ATOM 652 CD ARG A 45 2.988 7.351 6.421 1.00 0.88 C ATOM 653 NE ARG A 45 4.325 6.802 6.631 1.00 1.57 N ATOM 654 CZ ARG A 45 5.006 6.926 7.766 1.00 2.04 C ATOM 655 NH1 ARG A 45 4.473 7.569 8.798 1.00 2.22 N ATOM 656 NH2 ARG A 45 6.221 6.405 7.875 1.00 2.89 N ATOM 0 H ARG A 45 0.736 5.495 4.542 1.00 0.36 H new ATOM 0 HA ARG A 45 3.572 4.789 5.019 1.00 0.34 H new ATOM 0 HB2 ARG A 45 1.427 4.339 7.051 1.00 0.37 H new ATOM 0 HB3 ARG A 45 3.127 4.700 7.277 1.00 0.37 H new ATOM 0 HG2 ARG A 45 0.956 6.661 6.453 1.00 0.66 H new ATOM 0 HG3 ARG A 45 1.762 6.586 8.007 1.00 0.66 H new ATOM 0 HD2 ARG A 45 2.833 7.531 5.357 1.00 0.88 H new ATOM 0 HD3 ARG A 45 2.909 8.315 6.923 1.00 0.88 H new ATOM 0 HE ARG A 45 4.762 6.294 5.862 1.00 1.57 H new ATOM 0 HH11 ARG A 45 3.538 7.970 8.722 1.00 2.22 H new ATOM 0 HH12 ARG A 45 4.998 7.662 9.667 1.00 2.22 H new ATOM 0 HH21 ARG A 45 6.635 5.908 7.087 1.00 2.89 H new ATOM 0 HH22 ARG A 45 6.741 6.502 8.747 1.00 2.89 H new ATOM 670 N TRP A 46 3.152 2.292 5.062 1.00 0.31 N ATOM 671 CA TRP A 46 2.938 0.874 4.816 1.00 0.31 C ATOM 672 C TRP A 46 2.975 0.073 6.113 1.00 0.26 C ATOM 673 O TRP A 46 3.987 0.051 6.816 1.00 0.29 O ATOM 674 CB TRP A 46 3.993 0.348 3.843 1.00 0.39 C ATOM 675 CG TRP A 46 4.266 1.292 2.711 1.00 0.70 C ATOM 676 CD1 TRP A 46 3.769 1.211 1.444 1.00 1.52 C ATOM 677 CD2 TRP A 46 5.097 2.460 2.745 1.00 1.34 C ATOM 678 NE1 TRP A 46 4.240 2.255 0.684 1.00 1.62 N ATOM 679 CE2 TRP A 46 5.056 3.035 1.460 1.00 1.46 C ATOM 680 CE3 TRP A 46 5.868 3.073 3.734 1.00 2.43 C ATOM 681 CZ2 TRP A 46 5.758 4.195 1.142 1.00 2.14 C ATOM 682 CZ3 TRP A 46 6.566 4.224 3.417 1.00 3.28 C ATOM 683 CH2 TRP A 46 6.506 4.775 2.130 1.00 3.02 C ATOM 0 H TRP A 46 4.106 2.537 5.328 1.00 0.31 H new ATOM 0 HA TRP A 46 1.948 0.753 4.376 1.00 0.31 H new ATOM 0 HB2 TRP A 46 4.920 0.162 4.386 1.00 0.39 H new ATOM 0 HB3 TRP A 46 3.663 -0.609 3.439 1.00 0.39 H new ATOM 0 HD1 TRP A 46 3.102 0.439 1.089 1.00 1.52 H new ATOM 0 HE1 TRP A 46 4.018 2.422 -0.298 1.00 1.62 H new ATOM 0 HE3 TRP A 46 5.919 2.656 4.729 1.00 2.43 H new ATOM 0 HZ2 TRP A 46 5.714 4.622 0.151 1.00 2.14 H new ATOM 0 HZ3 TRP A 46 7.167 4.706 4.174 1.00 3.28 H new ATOM 0 HH2 TRP A 46 7.061 5.676 1.914 1.00 3.02 H new ATOM 694 N LEU A 47 1.862 -0.593 6.414 1.00 0.25 N ATOM 695 CA LEU A 47 1.754 -1.408 7.616 1.00 0.26 C ATOM 696 C LEU A 47 1.106 -2.747 7.290 1.00 0.24 C ATOM 697 O LEU A 47 -0.004 -2.798 6.759 1.00 0.31 O ATOM 698 CB LEU A 47 0.947 -0.678 8.689 1.00 0.37 C ATOM 699 CG LEU A 47 1.787 0.010 9.765 1.00 0.80 C ATOM 700 CD1 LEU A 47 1.780 1.518 9.561 1.00 1.58 C ATOM 701 CD2 LEU A 47 1.273 -0.346 11.151 1.00 1.53 C ATOM 0 H LEU A 47 1.021 -0.582 5.838 1.00 0.25 H new ATOM 0 HA LEU A 47 2.758 -1.588 8.001 1.00 0.26 H new ATOM 0 HB2 LEU A 47 0.318 0.070 8.205 1.00 0.37 H new ATOM 0 HB3 LEU A 47 0.279 -1.392 9.171 1.00 0.37 H new ATOM 0 HG LEU A 47 2.815 -0.343 9.680 1.00 0.80 H new ATOM 0 HD11 LEU A 47 2.383 1.993 10.335 1.00 1.58 H new ATOM 0 HD12 LEU A 47 2.196 1.755 8.582 1.00 1.58 H new ATOM 0 HD13 LEU A 47 0.757 1.888 9.620 1.00 1.58 H new ATOM 0 HD21 LEU A 47 1.883 0.153 11.904 1.00 1.53 H new ATOM 0 HD22 LEU A 47 0.237 -0.021 11.249 1.00 1.53 H new ATOM 0 HD23 LEU A 47 1.330 -1.425 11.294 1.00 1.53 H new ATOM 713 N LYS A 48 1.811 -3.825 7.594 1.00 0.22 N ATOM 714 CA LYS A 48 1.314 -5.167 7.319 1.00 0.25 C ATOM 715 C LYS A 48 1.331 -6.034 8.575 1.00 0.26 C ATOM 716 O LYS A 48 2.390 -6.310 9.138 1.00 0.31 O ATOM 717 CB LYS A 48 2.146 -5.829 6.213 1.00 0.34 C ATOM 718 CG LYS A 48 3.561 -5.275 6.085 1.00 0.41 C ATOM 719 CD LYS A 48 4.219 -5.716 4.789 1.00 0.88 C ATOM 720 CE LYS A 48 5.053 -6.969 4.987 1.00 0.73 C ATOM 721 NZ LYS A 48 5.623 -7.466 3.703 1.00 1.37 N ATOM 0 H LYS A 48 2.732 -3.798 8.032 1.00 0.22 H new ATOM 0 HA LYS A 48 0.281 -5.076 6.983 1.00 0.25 H new ATOM 0 HB2 LYS A 48 2.202 -6.900 6.407 1.00 0.34 H new ATOM 0 HB3 LYS A 48 1.630 -5.704 5.261 1.00 0.34 H new ATOM 0 HG2 LYS A 48 3.531 -4.186 6.126 1.00 0.41 H new ATOM 0 HG3 LYS A 48 4.161 -5.610 6.931 1.00 0.41 H new ATOM 0 HD2 LYS A 48 3.453 -5.903 4.036 1.00 0.88 H new ATOM 0 HD3 LYS A 48 4.851 -4.913 4.409 1.00 0.88 H new ATOM 0 HE2 LYS A 48 5.862 -6.760 5.686 1.00 0.73 H new ATOM 0 HE3 LYS A 48 4.437 -7.748 5.436 1.00 0.73 H new ATOM 0 HZ1 LYS A 48 5.321 -8.449 3.546 1.00 1.37 H new ATOM 0 HZ2 LYS A 48 5.285 -6.871 2.920 1.00 1.37 H new ATOM 0 HZ3 LYS A 48 6.661 -7.426 3.745 1.00 1.37 H new ATOM 735 N ASN A 49 0.148 -6.466 9.003 1.00 0.28 N ATOM 736 CA ASN A 49 0.015 -7.311 10.189 1.00 0.35 C ATOM 737 C ASN A 49 0.852 -6.779 11.348 1.00 0.39 C ATOM 738 O ASN A 49 1.530 -7.541 12.036 1.00 0.50 O ATOM 739 CB ASN A 49 0.433 -8.747 9.863 1.00 0.38 C ATOM 740 CG ASN A 49 -0.337 -9.772 10.670 1.00 0.75 C ATOM 741 OD1 ASN A 49 -0.740 -9.514 11.805 1.00 1.53 O ATOM 742 ND2 ASN A 49 -0.545 -10.948 10.088 1.00 1.32 N ATOM 0 H ASN A 49 -0.736 -6.244 8.545 1.00 0.28 H new ATOM 0 HA ASN A 49 -1.032 -7.298 10.492 1.00 0.35 H new ATOM 0 HB2 ASN A 49 0.278 -8.935 8.801 1.00 0.38 H new ATOM 0 HB3 ASN A 49 1.499 -8.864 10.055 1.00 0.38 H new ATOM 0 HD21 ASN A 49 -1.056 -11.679 10.583 1.00 1.32 H new ATOM 0 HD22 ASN A 49 -0.194 -11.120 9.146 1.00 1.32 H new ATOM 749 N GLY A 50 0.804 -5.468 11.557 1.00 0.38 N ATOM 750 CA GLY A 50 1.569 -4.864 12.631 1.00 0.45 C ATOM 751 C GLY A 50 3.031 -4.698 12.268 1.00 0.48 C ATOM 752 O GLY A 50 3.886 -4.574 13.144 1.00 0.68 O ATOM 0 H GLY A 50 0.250 -4.814 11.003 1.00 0.38 H new ATOM 0 HA2 GLY A 50 1.144 -3.890 12.875 1.00 0.45 H new ATOM 0 HA3 GLY A 50 1.486 -5.481 13.526 1.00 0.45 H new ATOM 756 N LYS A 51 3.315 -4.696 10.970 1.00 0.36 N ATOM 757 CA LYS A 51 4.679 -4.544 10.484 1.00 0.39 C ATOM 758 C LYS A 51 4.791 -3.328 9.575 1.00 0.38 C ATOM 759 O LYS A 51 4.079 -3.219 8.579 1.00 0.39 O ATOM 760 CB LYS A 51 5.114 -5.802 9.728 1.00 0.42 C ATOM 761 CG LYS A 51 6.588 -5.814 9.356 1.00 0.53 C ATOM 762 CD LYS A 51 6.781 -5.829 7.848 1.00 0.75 C ATOM 763 CE LYS A 51 8.204 -5.452 7.464 1.00 0.82 C ATOM 764 NZ LYS A 51 9.144 -6.595 7.627 1.00 1.36 N ATOM 0 H LYS A 51 2.616 -4.798 10.235 1.00 0.36 H new ATOM 0 HA LYS A 51 5.335 -4.400 11.342 1.00 0.39 H new ATOM 0 HB2 LYS A 51 4.896 -6.677 10.341 1.00 0.42 H new ATOM 0 HB3 LYS A 51 4.519 -5.893 8.820 1.00 0.42 H new ATOM 0 HG2 LYS A 51 7.078 -4.937 9.778 1.00 0.53 H new ATOM 0 HG3 LYS A 51 7.068 -6.689 9.794 1.00 0.53 H new ATOM 0 HD2 LYS A 51 6.549 -6.821 7.460 1.00 0.75 H new ATOM 0 HD3 LYS A 51 6.081 -5.134 7.384 1.00 0.75 H new ATOM 0 HE2 LYS A 51 8.223 -5.111 6.429 1.00 0.82 H new ATOM 0 HE3 LYS A 51 8.537 -4.617 8.080 1.00 0.82 H new ATOM 0 HZ1 LYS A 51 10.100 -6.302 7.339 1.00 1.36 H new ATOM 0 HZ2 LYS A 51 9.159 -6.893 8.623 1.00 1.36 H new ATOM 0 HZ3 LYS A 51 8.831 -7.389 7.033 1.00 1.36 H new ATOM 778 N GLU A 52 5.691 -2.415 9.913 1.00 0.38 N ATOM 779 CA GLU A 52 5.886 -1.216 9.111 1.00 0.39 C ATOM 780 C GLU A 52 7.160 -1.327 8.286 1.00 0.43 C ATOM 781 O GLU A 52 8.160 -1.876 8.747 1.00 0.49 O ATOM 782 CB GLU A 52 5.940 0.024 10.004 1.00 0.44 C ATOM 783 CG GLU A 52 7.196 0.110 10.855 1.00 1.03 C ATOM 784 CD GLU A 52 7.159 1.267 11.833 1.00 1.38 C ATOM 785 OE1 GLU A 52 6.482 1.144 12.875 1.00 1.90 O ATOM 786 OE2 GLU A 52 7.811 2.298 11.557 1.00 1.71 O ATOM 0 H GLU A 52 6.295 -2.481 10.733 1.00 0.38 H new ATOM 0 HA GLU A 52 5.039 -1.118 8.431 1.00 0.39 H new ATOM 0 HB2 GLU A 52 5.874 0.914 9.379 1.00 0.44 H new ATOM 0 HB3 GLU A 52 5.068 0.028 10.658 1.00 0.44 H new ATOM 0 HG2 GLU A 52 7.322 -0.822 11.405 1.00 1.03 H new ATOM 0 HG3 GLU A 52 8.064 0.216 10.205 1.00 1.03 H new ATOM 793 N PHE A 53 7.124 -0.799 7.069 1.00 0.43 N ATOM 794 CA PHE A 53 8.287 -0.839 6.190 1.00 0.50 C ATOM 795 C PHE A 53 8.460 0.490 5.464 1.00 0.56 C ATOM 796 O PHE A 53 7.484 1.100 5.026 1.00 0.70 O ATOM 797 CB PHE A 53 8.155 -1.980 5.179 1.00 0.57 C ATOM 798 CG PHE A 53 9.301 -2.951 5.219 1.00 1.46 C ATOM 799 CD1 PHE A 53 9.893 -3.298 6.424 1.00 2.42 C ATOM 800 CD2 PHE A 53 9.787 -3.518 4.052 1.00 1.99 C ATOM 801 CE1 PHE A 53 10.945 -4.193 6.464 1.00 3.55 C ATOM 802 CE2 PHE A 53 10.841 -4.413 4.086 1.00 3.14 C ATOM 803 CZ PHE A 53 11.424 -4.747 5.293 1.00 3.85 C ATOM 0 H PHE A 53 6.306 -0.340 6.669 1.00 0.43 H new ATOM 0 HA PHE A 53 9.171 -1.015 6.803 1.00 0.50 H new ATOM 0 HB2 PHE A 53 7.226 -2.518 5.369 1.00 0.57 H new ATOM 0 HB3 PHE A 53 8.080 -1.560 4.176 1.00 0.57 H new ATOM 0 HD1 PHE A 53 9.527 -2.863 7.343 1.00 2.42 H new ATOM 0 HD2 PHE A 53 9.338 -3.258 3.105 1.00 1.99 H new ATOM 0 HE1 PHE A 53 11.392 -4.459 7.410 1.00 3.55 H new ATOM 0 HE2 PHE A 53 11.208 -4.851 3.169 1.00 3.14 H new ATOM 0 HZ PHE A 53 12.252 -5.440 5.321 1.00 3.85 H new ATOM 813 N LYS A 54 9.706 0.935 5.338 1.00 0.64 N ATOM 814 CA LYS A 54 9.998 2.193 4.663 1.00 0.77 C ATOM 815 C LYS A 54 10.214 1.972 3.170 1.00 1.29 C ATOM 816 O LYS A 54 10.744 0.943 2.754 1.00 1.12 O ATOM 817 CB LYS A 54 11.234 2.851 5.276 1.00 0.86 C ATOM 818 CG LYS A 54 10.907 3.840 6.383 1.00 1.43 C ATOM 819 CD LYS A 54 10.900 5.270 5.870 1.00 1.82 C ATOM 820 CE LYS A 54 9.919 6.134 6.648 1.00 2.44 C ATOM 821 NZ LYS A 54 10.563 6.772 7.829 1.00 3.19 N ATOM 0 H LYS A 54 10.527 0.445 5.693 1.00 0.64 H new ATOM 0 HA LYS A 54 9.141 2.853 4.794 1.00 0.77 H new ATOM 0 HB2 LYS A 54 11.889 2.076 5.674 1.00 0.86 H new ATOM 0 HB3 LYS A 54 11.789 3.366 4.492 1.00 0.86 H new ATOM 0 HG2 LYS A 54 9.933 3.601 6.809 1.00 1.43 H new ATOM 0 HG3 LYS A 54 11.638 3.744 7.185 1.00 1.43 H new ATOM 0 HD2 LYS A 54 11.902 5.692 5.950 1.00 1.82 H new ATOM 0 HD3 LYS A 54 10.635 5.278 4.813 1.00 1.82 H new ATOM 0 HE2 LYS A 54 9.515 6.906 5.993 1.00 2.44 H new ATOM 0 HE3 LYS A 54 9.078 5.523 6.978 1.00 2.44 H new ATOM 0 HZ1 LYS A 54 9.864 7.353 8.334 1.00 3.19 H new ATOM 0 HZ2 LYS A 54 10.927 6.035 8.467 1.00 3.19 H new ATOM 0 HZ3 LYS A 54 11.349 7.374 7.512 1.00 3.19 H new ATOM 835 N GLN A 55 9.800 2.948 2.368 1.00 2.12 N ATOM 836 CA GLN A 55 9.949 2.862 0.921 1.00 2.84 C ATOM 837 C GLN A 55 11.419 2.825 0.521 1.00 2.74 C ATOM 838 O GLN A 55 11.768 2.346 -0.559 1.00 3.04 O ATOM 839 CB GLN A 55 9.248 4.042 0.243 1.00 3.80 C ATOM 840 CG GLN A 55 9.851 5.393 0.595 1.00 4.05 C ATOM 841 CD GLN A 55 9.928 6.325 -0.599 1.00 4.76 C ATOM 842 OE1 GLN A 55 9.980 5.879 -1.746 1.00 5.13 O ATOM 843 NE2 GLN A 55 9.936 7.627 -0.335 1.00 5.27 N ATOM 0 H GLN A 55 9.359 3.807 2.696 1.00 2.12 H new ATOM 0 HA GLN A 55 9.483 1.934 0.590 1.00 2.84 H new ATOM 0 HB2 GLN A 55 9.289 3.906 -0.838 1.00 3.80 H new ATOM 0 HB3 GLN A 55 8.195 4.039 0.525 1.00 3.80 H new ATOM 0 HG2 GLN A 55 9.254 5.860 1.378 1.00 4.05 H new ATOM 0 HG3 GLN A 55 10.852 5.246 1.002 1.00 4.05 H new ATOM 0 HE21 GLN A 55 9.891 7.952 0.631 1.00 5.27 H new ATOM 0 HE22 GLN A 55 9.987 8.302 -1.098 1.00 5.27 H new ATOM 852 N GLU A 56 12.283 3.331 1.397 1.00 2.55 N ATOM 853 CA GLU A 56 13.716 3.351 1.129 1.00 2.90 C ATOM 854 C GLU A 56 14.320 1.958 1.283 1.00 2.31 C ATOM 855 O GLU A 56 15.367 1.659 0.710 1.00 2.87 O ATOM 856 CB GLU A 56 14.422 4.332 2.067 1.00 3.47 C ATOM 857 CG GLU A 56 14.070 4.137 3.533 1.00 4.30 C ATOM 858 CD GLU A 56 15.290 4.165 4.434 1.00 5.06 C ATOM 859 OE1 GLU A 56 16.376 3.756 3.974 1.00 5.47 O ATOM 860 OE2 GLU A 56 15.158 4.594 5.599 1.00 5.55 O ATOM 0 H GLU A 56 12.016 3.731 2.296 1.00 2.55 H new ATOM 0 HA GLU A 56 13.860 3.678 0.099 1.00 2.90 H new ATOM 0 HB2 GLU A 56 15.500 4.226 1.944 1.00 3.47 H new ATOM 0 HB3 GLU A 56 14.166 5.350 1.773 1.00 3.47 H new ATOM 0 HG2 GLU A 56 13.376 4.918 3.843 1.00 4.30 H new ATOM 0 HG3 GLU A 56 13.554 3.185 3.656 1.00 4.30 H new ATOM 867 N HIS A 57 13.653 1.109 2.060 1.00 1.41 N ATOM 868 CA HIS A 57 14.127 -0.252 2.285 1.00 1.04 C ATOM 869 C HIS A 57 13.001 -1.265 2.103 1.00 0.97 C ATOM 870 O HIS A 57 11.959 -1.178 2.755 1.00 1.34 O ATOM 871 CB HIS A 57 14.723 -0.385 3.688 1.00 1.30 C ATOM 872 CG HIS A 57 15.376 -1.708 3.937 1.00 1.65 C ATOM 873 ND1 HIS A 57 15.330 -2.354 5.156 1.00 2.34 N ATOM 874 CD2 HIS A 57 16.096 -2.509 3.117 1.00 2.26 C ATOM 875 CE1 HIS A 57 15.991 -3.496 5.071 1.00 2.86 C ATOM 876 NE2 HIS A 57 16.466 -3.613 3.845 1.00 2.77 N ATOM 0 H HIS A 57 12.785 1.339 2.543 1.00 1.41 H new ATOM 0 HA HIS A 57 14.901 -0.461 1.546 1.00 1.04 H new ATOM 0 HB2 HIS A 57 15.456 0.407 3.839 1.00 1.30 H new ATOM 0 HB3 HIS A 57 13.934 -0.234 4.425 1.00 1.30 H new ATOM 0 HD2 HIS A 57 16.335 -2.316 2.082 1.00 2.26 H new ATOM 0 HE1 HIS A 57 16.120 -4.212 5.869 1.00 2.86 H new ATOM 0 HE2 HIS A 57 17.018 -4.396 3.495 1.00 2.77 H new ATOM 885 N ARG A 58 13.217 -2.227 1.211 1.00 1.00 N ATOM 886 CA ARG A 58 12.226 -3.263 0.938 1.00 0.92 C ATOM 887 C ARG A 58 12.905 -4.610 0.715 1.00 0.69 C ATOM 888 O ARG A 58 14.056 -4.673 0.282 1.00 0.78 O ATOM 889 CB ARG A 58 11.374 -2.886 -0.275 1.00 1.23 C ATOM 890 CG ARG A 58 10.206 -1.979 0.071 1.00 1.36 C ATOM 891 CD ARG A 58 9.035 -2.182 -0.878 1.00 1.75 C ATOM 892 NE ARG A 58 7.841 -1.471 -0.430 1.00 2.44 N ATOM 893 CZ ARG A 58 6.838 -1.130 -1.233 1.00 3.22 C ATOM 894 NH1 ARG A 58 6.882 -1.446 -2.521 1.00 3.53 N ATOM 895 NH2 ARG A 58 5.791 -0.478 -0.749 1.00 3.98 N ATOM 0 H ARG A 58 14.073 -2.311 0.663 1.00 1.00 H new ATOM 0 HA ARG A 58 11.572 -3.347 1.806 1.00 0.92 H new ATOM 0 HB2 ARG A 58 12.004 -2.390 -1.013 1.00 1.23 H new ATOM 0 HB3 ARG A 58 10.994 -3.795 -0.740 1.00 1.23 H new ATOM 0 HG2 ARG A 58 9.884 -2.175 1.094 1.00 1.36 H new ATOM 0 HG3 ARG A 58 10.529 -0.939 0.033 1.00 1.36 H new ATOM 0 HD2 ARG A 58 9.311 -1.836 -1.874 1.00 1.75 H new ATOM 0 HD3 ARG A 58 8.814 -3.246 -0.960 1.00 1.75 H new ATOM 0 HE ARG A 58 7.773 -1.221 0.557 1.00 2.44 H new ATOM 0 HH11 ARG A 58 7.686 -1.951 -2.895 1.00 3.53 H new ATOM 0 HH12 ARG A 58 6.112 -1.184 -3.137 1.00 3.53 H new ATOM 0 HH21 ARG A 58 5.754 -0.237 0.241 1.00 3.98 H new ATOM 0 HH22 ARG A 58 5.022 -0.217 -1.367 1.00 3.98 H new ATOM 909 N ILE A 59 12.182 -5.688 1.005 1.00 0.67 N ATOM 910 CA ILE A 59 12.721 -7.030 0.834 1.00 0.66 C ATOM 911 C ILE A 59 12.867 -7.377 -0.640 1.00 0.59 C ATOM 912 O ILE A 59 11.901 -7.758 -1.296 1.00 0.57 O ATOM 913 CB ILE A 59 11.838 -8.090 1.518 1.00 0.95 C ATOM 914 CG1 ILE A 59 11.672 -7.761 3.003 1.00 1.05 C ATOM 915 CG2 ILE A 59 12.439 -9.477 1.344 1.00 1.16 C ATOM 916 CD1 ILE A 59 12.984 -7.484 3.711 1.00 1.64 C ATOM 0 H ILE A 59 11.226 -5.657 1.358 1.00 0.67 H new ATOM 0 HA ILE A 59 13.703 -7.036 1.306 1.00 0.66 H new ATOM 0 HB ILE A 59 10.855 -8.081 1.047 1.00 0.95 H new ATOM 0 HG12 ILE A 59 11.023 -6.891 3.104 1.00 1.05 H new ATOM 0 HG13 ILE A 59 11.170 -8.593 3.497 1.00 1.05 H new ATOM 0 HG21 ILE A 59 11.802 -10.214 1.834 1.00 1.16 H new ATOM 0 HG22 ILE A 59 12.514 -9.711 0.282 1.00 1.16 H new ATOM 0 HG23 ILE A 59 13.433 -9.502 1.792 1.00 1.16 H new ATOM 0 HD11 ILE A 59 12.791 -7.258 4.760 1.00 1.64 H new ATOM 0 HD12 ILE A 59 13.627 -8.361 3.641 1.00 1.64 H new ATOM 0 HD13 ILE A 59 13.478 -6.633 3.242 1.00 1.64 H new ATOM 928 N GLY A 60 14.084 -7.235 -1.153 1.00 0.70 N ATOM 929 CA GLY A 60 14.339 -7.532 -2.546 1.00 0.77 C ATOM 930 C GLY A 60 14.717 -6.298 -3.335 1.00 0.74 C ATOM 931 O GLY A 60 15.379 -6.393 -4.370 1.00 0.79 O ATOM 0 H GLY A 60 14.898 -6.919 -0.626 1.00 0.70 H new ATOM 0 HA2 GLY A 60 15.141 -8.267 -2.618 1.00 0.77 H new ATOM 0 HA3 GLY A 60 13.451 -7.985 -2.987 1.00 0.77 H new ATOM 935 N GLY A 61 14.296 -5.134 -2.852 1.00 0.70 N ATOM 936 CA GLY A 61 14.605 -3.895 -3.542 1.00 0.72 C ATOM 937 C GLY A 61 13.449 -3.418 -4.390 1.00 0.74 C ATOM 938 O GLY A 61 13.640 -2.833 -5.456 1.00 1.20 O ATOM 0 H GLY A 61 13.748 -5.026 -1.998 1.00 0.70 H new ATOM 0 HA2 GLY A 61 14.861 -3.127 -2.812 1.00 0.72 H new ATOM 0 HA3 GLY A 61 15.482 -4.040 -4.173 1.00 0.72 H new ATOM 942 N TYR A 62 12.241 -3.678 -3.909 1.00 0.69 N ATOM 943 CA TYR A 62 11.029 -3.288 -4.611 1.00 0.84 C ATOM 944 C TYR A 62 10.568 -1.902 -4.162 1.00 0.73 C ATOM 945 O TYR A 62 11.060 -1.380 -3.160 1.00 0.97 O ATOM 946 CB TYR A 62 9.952 -4.336 -4.386 1.00 1.36 C ATOM 947 CG TYR A 62 10.089 -5.533 -5.298 1.00 1.92 C ATOM 948 CD1 TYR A 62 11.337 -6.074 -5.585 1.00 2.32 C ATOM 949 CD2 TYR A 62 8.971 -6.117 -5.878 1.00 2.43 C ATOM 950 CE1 TYR A 62 11.466 -7.162 -6.427 1.00 3.05 C ATOM 951 CE2 TYR A 62 9.091 -7.207 -6.720 1.00 3.07 C ATOM 952 CZ TYR A 62 10.339 -7.725 -6.991 1.00 3.35 C ATOM 953 OH TYR A 62 10.463 -8.809 -7.830 1.00 4.10 O ATOM 0 H TYR A 62 12.075 -4.162 -3.027 1.00 0.69 H new ATOM 0 HA TYR A 62 11.233 -3.229 -5.680 1.00 0.84 H new ATOM 0 HB2 TYR A 62 9.990 -4.671 -3.349 1.00 1.36 H new ATOM 0 HB3 TYR A 62 8.973 -3.881 -4.538 1.00 1.36 H new ATOM 0 HD1 TYR A 62 12.220 -5.637 -5.143 1.00 2.32 H new ATOM 0 HD2 TYR A 62 7.992 -5.713 -5.668 1.00 2.43 H new ATOM 0 HE1 TYR A 62 12.443 -7.569 -6.642 1.00 3.05 H new ATOM 0 HE2 TYR A 62 8.211 -7.650 -7.163 1.00 3.07 H new ATOM 0 HH TYR A 62 9.576 -9.085 -8.141 1.00 4.10 H new ATOM 963 N LYS A 63 9.661 -1.287 -4.920 1.00 0.66 N ATOM 964 CA LYS A 63 9.203 0.063 -4.589 1.00 0.78 C ATOM 965 C LYS A 63 7.809 0.374 -5.113 1.00 0.67 C ATOM 966 O LYS A 63 7.226 -0.372 -5.903 1.00 0.54 O ATOM 967 CB LYS A 63 10.199 1.087 -5.140 1.00 1.11 C ATOM 968 CG LYS A 63 10.133 1.248 -6.651 1.00 1.28 C ATOM 969 CD LYS A 63 11.426 1.817 -7.207 1.00 1.83 C ATOM 970 CE LYS A 63 12.439 0.721 -7.497 1.00 2.36 C ATOM 971 NZ LYS A 63 13.651 1.250 -8.181 1.00 3.18 N ATOM 0 H LYS A 63 9.235 -1.692 -5.753 1.00 0.66 H new ATOM 0 HA LYS A 63 9.148 0.120 -3.502 1.00 0.78 H new ATOM 0 HB2 LYS A 63 10.011 2.053 -4.671 1.00 1.11 H new ATOM 0 HB3 LYS A 63 11.209 0.787 -4.859 1.00 1.11 H new ATOM 0 HG2 LYS A 63 9.932 0.281 -7.112 1.00 1.28 H new ATOM 0 HG3 LYS A 63 9.303 1.905 -6.912 1.00 1.28 H new ATOM 0 HD2 LYS A 63 11.217 2.372 -8.122 1.00 1.83 H new ATOM 0 HD3 LYS A 63 11.849 2.525 -6.495 1.00 1.83 H new ATOM 0 HE2 LYS A 63 12.730 0.240 -6.563 1.00 2.36 H new ATOM 0 HE3 LYS A 63 11.976 -0.045 -8.119 1.00 2.36 H new ATOM 0 HZ1 LYS A 63 14.316 0.471 -8.361 1.00 3.18 H new ATOM 0 HZ2 LYS A 63 13.377 1.687 -9.084 1.00 3.18 H new ATOM 0 HZ3 LYS A 63 14.108 1.963 -7.577 1.00 3.18 H new ATOM 985 N VAL A 64 7.291 1.502 -4.643 1.00 0.81 N ATOM 986 CA VAL A 64 5.963 1.982 -5.017 1.00 0.77 C ATOM 987 C VAL A 64 6.028 2.763 -6.331 1.00 0.82 C ATOM 988 O VAL A 64 7.028 3.414 -6.632 1.00 0.89 O ATOM 989 CB VAL A 64 5.373 2.889 -3.910 1.00 0.85 C ATOM 990 CG1 VAL A 64 6.399 3.920 -3.463 1.00 1.49 C ATOM 991 CG2 VAL A 64 4.093 3.578 -4.372 1.00 1.71 C ATOM 0 H VAL A 64 7.781 2.113 -3.989 1.00 0.81 H new ATOM 0 HA VAL A 64 5.317 1.113 -5.144 1.00 0.77 H new ATOM 0 HB VAL A 64 5.120 2.253 -3.062 1.00 0.85 H new ATOM 0 HG11 VAL A 64 5.967 4.549 -2.685 1.00 1.49 H new ATOM 0 HG12 VAL A 64 7.280 3.411 -3.071 1.00 1.49 H new ATOM 0 HG13 VAL A 64 6.686 4.540 -4.313 1.00 1.49 H new ATOM 0 HG21 VAL A 64 3.708 4.206 -3.569 1.00 1.71 H new ATOM 0 HG22 VAL A 64 4.307 4.195 -5.245 1.00 1.71 H new ATOM 0 HG23 VAL A 64 3.349 2.826 -4.633 1.00 1.71 H new ATOM 1001 N ARG A 65 4.952 2.679 -7.108 1.00 0.82 N ATOM 1002 CA ARG A 65 4.874 3.363 -8.395 1.00 0.92 C ATOM 1003 C ARG A 65 4.469 4.824 -8.229 1.00 1.03 C ATOM 1004 O ARG A 65 3.481 5.135 -7.566 1.00 1.18 O ATOM 1005 CB ARG A 65 3.871 2.654 -9.306 1.00 0.96 C ATOM 1006 CG ARG A 65 4.149 1.170 -9.478 1.00 1.51 C ATOM 1007 CD ARG A 65 3.089 0.499 -10.335 1.00 2.02 C ATOM 1008 NE ARG A 65 3.664 -0.485 -11.248 1.00 2.60 N ATOM 1009 CZ ARG A 65 2.959 -1.136 -12.166 1.00 3.22 C ATOM 1010 NH1 ARG A 65 1.662 -0.896 -12.304 1.00 3.52 N ATOM 1011 NH2 ARG A 65 3.551 -2.028 -12.950 1.00 3.99 N ATOM 0 H ARG A 65 4.119 2.142 -6.867 1.00 0.82 H new ATOM 0 HA ARG A 65 5.866 3.334 -8.846 1.00 0.92 H new ATOM 0 HB2 ARG A 65 2.868 2.782 -8.898 1.00 0.96 H new ATOM 0 HB3 ARG A 65 3.881 3.133 -10.285 1.00 0.96 H new ATOM 0 HG2 ARG A 65 5.129 1.033 -9.936 1.00 1.51 H new ATOM 0 HG3 ARG A 65 4.185 0.690 -8.500 1.00 1.51 H new ATOM 0 HD2 ARG A 65 2.358 0.011 -9.691 1.00 2.02 H new ATOM 0 HD3 ARG A 65 2.554 1.256 -10.908 1.00 2.02 H new ATOM 0 HE ARG A 65 4.662 -0.683 -11.177 1.00 2.60 H new ATOM 0 HH11 ARG A 65 1.204 -0.210 -11.704 1.00 3.52 H new ATOM 0 HH12 ARG A 65 1.123 -1.397 -13.010 1.00 3.52 H new ATOM 0 HH21 ARG A 65 4.549 -2.214 -12.848 1.00 3.99 H new ATOM 0 HH22 ARG A 65 3.008 -2.527 -13.655 1.00 3.99 H new ATOM 1025 N ASN A 66 5.240 5.719 -8.844 1.00 1.03 N ATOM 1026 CA ASN A 66 4.970 7.153 -8.779 1.00 1.16 C ATOM 1027 C ASN A 66 4.602 7.592 -7.364 1.00 1.03 C ATOM 1028 O ASN A 66 3.871 8.562 -7.175 1.00 1.79 O ATOM 1029 CB ASN A 66 3.846 7.524 -9.748 1.00 1.96 C ATOM 1030 CG ASN A 66 4.358 7.819 -11.144 1.00 2.83 C ATOM 1031 OD1 ASN A 66 5.545 8.081 -11.341 1.00 3.41 O ATOM 1032 ND2 ASN A 66 3.463 7.782 -12.124 1.00 3.48 N ATOM 0 H ASN A 66 6.062 5.473 -9.396 1.00 1.03 H new ATOM 0 HA ASN A 66 5.883 7.674 -9.066 1.00 1.16 H new ATOM 0 HB2 ASN A 66 3.125 6.707 -9.794 1.00 1.96 H new ATOM 0 HB3 ASN A 66 3.315 8.397 -9.367 1.00 1.96 H new ATOM 0 HD21 ASN A 66 3.749 7.975 -13.084 1.00 3.48 H new ATOM 0 HD22 ASN A 66 2.489 7.561 -11.917 1.00 3.48 H new ATOM 1039 N GLN A 67 5.120 6.874 -6.373 1.00 1.15 N ATOM 1040 CA GLN A 67 4.854 7.192 -4.975 1.00 1.99 C ATOM 1041 C GLN A 67 3.354 7.241 -4.685 1.00 1.73 C ATOM 1042 O GLN A 67 2.924 7.895 -3.734 1.00 2.55 O ATOM 1043 CB GLN A 67 5.495 8.532 -4.607 1.00 2.86 C ATOM 1044 CG GLN A 67 6.030 8.580 -3.186 1.00 3.88 C ATOM 1045 CD GLN A 67 7.083 7.522 -2.922 1.00 4.69 C ATOM 1046 OE1 GLN A 67 7.030 6.811 -1.919 1.00 5.12 O ATOM 1047 NE2 GLN A 67 8.050 7.413 -3.824 1.00 5.31 N ATOM 0 H GLN A 67 5.727 6.067 -6.513 1.00 1.15 H new ATOM 0 HA GLN A 67 5.291 6.399 -4.368 1.00 1.99 H new ATOM 0 HB2 GLN A 67 6.310 8.738 -5.300 1.00 2.86 H new ATOM 0 HB3 GLN A 67 4.759 9.325 -4.736 1.00 2.86 H new ATOM 0 HG2 GLN A 67 6.455 9.565 -2.995 1.00 3.88 H new ATOM 0 HG3 GLN A 67 5.205 8.448 -2.487 1.00 3.88 H new ATOM 0 HE21 GLN A 67 8.056 8.023 -4.642 1.00 5.31 H new ATOM 0 HE22 GLN A 67 8.787 6.719 -3.700 1.00 5.31 H new ATOM 1056 N HIS A 68 2.560 6.548 -5.497 1.00 0.89 N ATOM 1057 CA HIS A 68 1.114 6.524 -5.298 1.00 0.62 C ATOM 1058 C HIS A 68 0.424 5.594 -6.292 1.00 0.68 C ATOM 1059 O HIS A 68 1.010 5.205 -7.301 1.00 1.37 O ATOM 1060 CB HIS A 68 0.530 7.935 -5.422 1.00 0.63 C ATOM 1061 CG HIS A 68 0.892 8.630 -6.698 1.00 1.42 C ATOM 1062 ND1 HIS A 68 0.594 8.118 -7.944 1.00 2.23 N ATOM 1063 CD2 HIS A 68 1.526 9.807 -6.919 1.00 2.22 C ATOM 1064 CE1 HIS A 68 1.028 8.950 -8.874 1.00 2.85 C ATOM 1065 NE2 HIS A 68 1.596 9.982 -8.279 1.00 2.83 N ATOM 0 H HIS A 68 2.890 6.000 -6.292 1.00 0.89 H new ATOM 0 HA HIS A 68 0.932 6.144 -4.293 1.00 0.62 H new ATOM 0 HB2 HIS A 68 -0.556 7.876 -5.347 1.00 0.63 H new ATOM 0 HB3 HIS A 68 0.876 8.536 -4.581 1.00 0.63 H new ATOM 0 HD2 HIS A 68 1.905 10.482 -6.166 1.00 2.22 H new ATOM 0 HE1 HIS A 68 0.934 8.809 -9.941 1.00 2.85 H new ATOM 0 HE2 HIS A 68 2.019 10.780 -8.753 1.00 2.83 H new ATOM 1074 N TRP A 69 -0.822 5.243 -5.978 1.00 0.51 N ATOM 1075 CA TRP A 69 -1.636 4.354 -6.810 1.00 0.45 C ATOM 1076 C TRP A 69 -1.219 2.898 -6.609 1.00 0.37 C ATOM 1077 O TRP A 69 -1.599 2.279 -5.616 1.00 0.44 O ATOM 1078 CB TRP A 69 -1.569 4.769 -8.288 1.00 0.56 C ATOM 1079 CG TRP A 69 -2.446 3.941 -9.177 1.00 0.93 C ATOM 1080 CD1 TRP A 69 -3.529 3.201 -8.802 1.00 1.16 C ATOM 1081 CD2 TRP A 69 -2.313 3.770 -10.593 1.00 1.62 C ATOM 1082 NE1 TRP A 69 -4.079 2.581 -9.898 1.00 1.72 N ATOM 1083 CE2 TRP A 69 -3.351 2.915 -11.009 1.00 2.01 C ATOM 1084 CE3 TRP A 69 -1.419 4.258 -11.550 1.00 2.13 C ATOM 1085 CZ2 TRP A 69 -3.518 2.538 -12.339 1.00 2.74 C ATOM 1086 CZ3 TRP A 69 -1.585 3.883 -12.869 1.00 2.88 C ATOM 1087 CH2 TRP A 69 -2.627 3.031 -13.254 1.00 3.14 C ATOM 0 H TRP A 69 -1.298 5.568 -5.137 1.00 0.51 H new ATOM 0 HA TRP A 69 -2.676 4.445 -6.497 1.00 0.45 H new ATOM 0 HB2 TRP A 69 -1.858 5.816 -8.378 1.00 0.56 H new ATOM 0 HB3 TRP A 69 -0.538 4.692 -8.633 1.00 0.56 H new ATOM 0 HD1 TRP A 69 -3.900 3.115 -7.791 1.00 1.16 H new ATOM 0 HE1 TRP A 69 -4.897 1.971 -9.886 1.00 1.72 H new ATOM 0 HE3 TRP A 69 -0.613 4.917 -11.263 1.00 2.13 H new ATOM 0 HZ2 TRP A 69 -4.321 1.881 -12.638 1.00 2.74 H new ATOM 0 HZ3 TRP A 69 -0.899 4.254 -13.616 1.00 2.88 H new ATOM 0 HH2 TRP A 69 -2.730 2.757 -14.294 1.00 3.14 H new ATOM 1098 N SER A 70 -0.428 2.344 -7.527 1.00 0.35 N ATOM 1099 CA SER A 70 0.022 0.970 -7.389 1.00 0.33 C ATOM 1100 C SER A 70 1.410 0.945 -6.769 1.00 0.36 C ATOM 1101 O SER A 70 2.229 1.830 -7.020 1.00 0.39 O ATOM 1102 CB SER A 70 0.037 0.262 -8.746 1.00 0.40 C ATOM 1103 OG SER A 70 0.514 1.124 -9.767 1.00 1.02 O ATOM 0 H SER A 70 -0.092 2.823 -8.363 1.00 0.35 H new ATOM 0 HA SER A 70 -0.673 0.440 -6.738 1.00 0.33 H new ATOM 0 HB2 SER A 70 0.669 -0.625 -8.690 1.00 0.40 H new ATOM 0 HB3 SER A 70 -0.969 -0.078 -8.993 1.00 0.40 H new ATOM 0 HG SER A 70 -0.014 0.990 -10.582 1.00 1.02 H new ATOM 1109 N LEU A 71 1.673 -0.067 -5.958 1.00 0.38 N ATOM 1110 CA LEU A 71 2.965 -0.200 -5.302 1.00 0.44 C ATOM 1111 C LEU A 71 3.391 -1.659 -5.279 1.00 0.44 C ATOM 1112 O LEU A 71 2.684 -2.512 -4.742 1.00 0.52 O ATOM 1113 CB LEU A 71 2.912 0.365 -3.876 1.00 0.51 C ATOM 1114 CG LEU A 71 1.513 0.529 -3.280 1.00 0.63 C ATOM 1115 CD1 LEU A 71 1.550 0.320 -1.775 1.00 0.98 C ATOM 1116 CD2 LEU A 71 0.951 1.903 -3.616 1.00 0.80 C ATOM 0 H LEU A 71 1.009 -0.809 -5.738 1.00 0.38 H new ATOM 0 HA LEU A 71 3.700 0.373 -5.867 1.00 0.44 H new ATOM 0 HB2 LEU A 71 3.490 -0.289 -3.224 1.00 0.51 H new ATOM 0 HB3 LEU A 71 3.405 1.337 -3.871 1.00 0.51 H new ATOM 0 HG LEU A 71 0.859 -0.226 -3.716 1.00 0.63 H new ATOM 0 HD11 LEU A 71 0.547 0.440 -1.366 1.00 0.98 H new ATOM 0 HD12 LEU A 71 1.913 -0.684 -1.556 1.00 0.98 H new ATOM 0 HD13 LEU A 71 2.217 1.054 -1.322 1.00 0.98 H new ATOM 0 HD21 LEU A 71 -0.045 2.004 -3.185 1.00 0.80 H new ATOM 0 HD22 LEU A 71 1.604 2.673 -3.206 1.00 0.80 H new ATOM 0 HD23 LEU A 71 0.891 2.017 -4.698 1.00 0.80 H new ATOM 1128 N ILE A 72 4.542 -1.950 -5.875 1.00 0.39 N ATOM 1129 CA ILE A 72 5.031 -3.318 -5.924 1.00 0.39 C ATOM 1130 C ILE A 72 6.159 -3.552 -4.928 1.00 0.36 C ATOM 1131 O ILE A 72 7.213 -2.909 -5.000 1.00 0.38 O ATOM 1132 CB ILE A 72 5.509 -3.707 -7.339 1.00 0.42 C ATOM 1133 CG1 ILE A 72 5.728 -5.224 -7.419 1.00 0.44 C ATOM 1134 CG2 ILE A 72 6.780 -2.950 -7.705 1.00 0.45 C ATOM 1135 CD1 ILE A 72 6.445 -5.674 -8.674 1.00 1.12 C ATOM 0 H ILE A 72 5.147 -1.263 -6.326 1.00 0.39 H new ATOM 0 HA ILE A 72 4.186 -3.951 -5.653 1.00 0.39 H new ATOM 0 HB ILE A 72 4.739 -3.431 -8.060 1.00 0.42 H new ATOM 0 HG12 ILE A 72 6.302 -5.545 -6.550 1.00 0.44 H new ATOM 0 HG13 ILE A 72 4.761 -5.724 -7.365 1.00 0.44 H new ATOM 0 HG21 ILE A 72 7.100 -3.239 -8.706 1.00 0.45 H new ATOM 0 HG22 ILE A 72 6.584 -1.878 -7.682 1.00 0.45 H new ATOM 0 HG23 ILE A 72 7.566 -3.191 -6.989 1.00 0.45 H new ATOM 0 HD11 ILE A 72 6.562 -6.758 -8.657 1.00 1.12 H new ATOM 0 HD12 ILE A 72 5.863 -5.386 -9.549 1.00 1.12 H new ATOM 0 HD13 ILE A 72 7.427 -5.203 -8.721 1.00 1.12 H new ATOM 1147 N MET A 73 5.912 -4.490 -4.014 1.00 0.36 N ATOM 1148 CA MET A 73 6.868 -4.877 -2.984 1.00 0.36 C ATOM 1149 C MET A 73 7.104 -6.382 -3.050 1.00 0.33 C ATOM 1150 O MET A 73 6.179 -7.149 -3.315 1.00 0.43 O ATOM 1151 CB MET A 73 6.346 -4.489 -1.600 1.00 0.43 C ATOM 1152 CG MET A 73 5.072 -5.219 -1.206 1.00 0.83 C ATOM 1153 SD MET A 73 3.731 -4.094 -0.781 1.00 1.86 S ATOM 1154 CE MET A 73 4.309 -3.459 0.792 1.00 2.56 C ATOM 0 H MET A 73 5.033 -5.006 -3.970 1.00 0.36 H new ATOM 0 HA MET A 73 7.809 -4.355 -3.157 1.00 0.36 H new ATOM 0 HB2 MET A 73 7.118 -4.695 -0.858 1.00 0.43 H new ATOM 0 HB3 MET A 73 6.162 -3.415 -1.578 1.00 0.43 H new ATOM 0 HG2 MET A 73 4.756 -5.860 -2.029 1.00 0.83 H new ATOM 0 HG3 MET A 73 5.279 -5.869 -0.356 1.00 0.83 H new ATOM 0 HE1 MET A 73 3.584 -2.746 1.185 1.00 2.56 H new ATOM 0 HE2 MET A 73 4.427 -4.283 1.496 1.00 2.56 H new ATOM 0 HE3 MET A 73 5.268 -2.961 0.653 1.00 2.56 H new ATOM 1164 N GLU A 74 8.337 -6.803 -2.813 1.00 0.33 N ATOM 1165 CA GLU A 74 8.674 -8.220 -2.855 1.00 0.31 C ATOM 1166 C GLU A 74 8.689 -8.812 -1.448 1.00 0.31 C ATOM 1167 O GLU A 74 9.407 -8.330 -0.570 1.00 0.37 O ATOM 1168 CB GLU A 74 10.032 -8.413 -3.536 1.00 0.37 C ATOM 1169 CG GLU A 74 10.615 -9.810 -3.370 1.00 0.41 C ATOM 1170 CD GLU A 74 11.110 -10.396 -4.679 1.00 0.89 C ATOM 1171 OE1 GLU A 74 12.051 -9.821 -5.268 1.00 1.12 O ATOM 1172 OE2 GLU A 74 10.558 -11.427 -5.116 1.00 1.52 O ATOM 0 H GLU A 74 9.119 -6.187 -2.590 1.00 0.33 H new ATOM 0 HA GLU A 74 7.913 -8.744 -3.433 1.00 0.31 H new ATOM 0 HB2 GLU A 74 9.927 -8.198 -4.599 1.00 0.37 H new ATOM 0 HB3 GLU A 74 10.736 -7.686 -3.132 1.00 0.37 H new ATOM 0 HG2 GLU A 74 11.440 -9.773 -2.658 1.00 0.41 H new ATOM 0 HG3 GLU A 74 9.857 -10.468 -2.946 1.00 0.41 H new ATOM 1179 N SER A 75 7.888 -9.851 -1.237 1.00 0.29 N ATOM 1180 CA SER A 75 7.808 -10.497 0.067 1.00 0.33 C ATOM 1181 C SER A 75 7.967 -12.010 -0.050 1.00 0.33 C ATOM 1182 O SER A 75 7.033 -12.714 -0.435 1.00 0.38 O ATOM 1183 CB SER A 75 6.475 -10.164 0.737 1.00 0.41 C ATOM 1184 OG SER A 75 6.504 -10.485 2.116 1.00 1.32 O ATOM 0 H SER A 75 7.287 -10.263 -1.951 1.00 0.29 H new ATOM 0 HA SER A 75 8.626 -10.118 0.679 1.00 0.33 H new ATOM 0 HB2 SER A 75 6.256 -9.104 0.612 1.00 0.41 H new ATOM 0 HB3 SER A 75 5.671 -10.715 0.249 1.00 0.41 H new ATOM 0 HG SER A 75 5.600 -10.413 2.488 1.00 1.32 H new ATOM 1190 N VAL A 76 9.152 -12.506 0.293 1.00 0.37 N ATOM 1191 CA VAL A 76 9.429 -13.936 0.234 1.00 0.41 C ATOM 1192 C VAL A 76 9.223 -14.584 1.598 1.00 0.43 C ATOM 1193 O VAL A 76 8.586 -15.633 1.709 1.00 0.46 O ATOM 1194 CB VAL A 76 10.866 -14.221 -0.247 1.00 0.48 C ATOM 1195 CG1 VAL A 76 11.886 -13.656 0.730 1.00 1.54 C ATOM 1196 CG2 VAL A 76 11.077 -15.715 -0.441 1.00 1.33 C ATOM 0 H VAL A 76 9.936 -11.938 0.615 1.00 0.37 H new ATOM 0 HA VAL A 76 8.730 -14.364 -0.485 1.00 0.41 H new ATOM 0 HB VAL A 76 11.009 -13.726 -1.208 1.00 0.48 H new ATOM 0 HG11 VAL A 76 12.892 -13.869 0.369 1.00 1.54 H new ATOM 0 HG12 VAL A 76 11.752 -12.578 0.813 1.00 1.54 H new ATOM 0 HG13 VAL A 76 11.746 -14.116 1.708 1.00 1.54 H new ATOM 0 HG21 VAL A 76 12.097 -15.897 -0.781 1.00 1.33 H new ATOM 0 HG22 VAL A 76 10.912 -16.232 0.504 1.00 1.33 H new ATOM 0 HG23 VAL A 76 10.374 -16.088 -1.186 1.00 1.33 H new ATOM 1206 N VAL A 77 9.761 -13.952 2.635 1.00 0.45 N ATOM 1207 CA VAL A 77 9.633 -14.464 3.995 1.00 0.49 C ATOM 1208 C VAL A 77 8.401 -13.883 4.689 1.00 0.45 C ATOM 1209 O VAL A 77 7.616 -14.620 5.290 1.00 0.47 O ATOM 1210 CB VAL A 77 10.886 -14.160 4.850 1.00 0.57 C ATOM 1211 CG1 VAL A 77 10.990 -15.140 6.010 1.00 0.80 C ATOM 1212 CG2 VAL A 77 12.147 -14.197 3.999 1.00 0.77 C ATOM 0 H VAL A 77 10.290 -13.083 2.560 1.00 0.45 H new ATOM 0 HA VAL A 77 9.526 -15.545 3.908 1.00 0.49 H new ATOM 0 HB VAL A 77 10.785 -13.154 5.257 1.00 0.57 H new ATOM 0 HG11 VAL A 77 11.877 -14.912 6.601 1.00 0.80 H new ATOM 0 HG12 VAL A 77 10.104 -15.055 6.639 1.00 0.80 H new ATOM 0 HG13 VAL A 77 11.064 -16.156 5.622 1.00 0.80 H new ATOM 0 HG21 VAL A 77 13.014 -13.980 4.623 1.00 0.77 H new ATOM 0 HG22 VAL A 77 12.258 -15.187 3.555 1.00 0.77 H new ATOM 0 HG23 VAL A 77 12.074 -13.451 3.208 1.00 0.77 H new ATOM 1222 N PRO A 78 8.206 -12.554 4.616 1.00 0.43 N ATOM 1223 CA PRO A 78 7.057 -11.894 5.243 1.00 0.41 C ATOM 1224 C PRO A 78 5.732 -12.314 4.612 1.00 0.35 C ATOM 1225 O PRO A 78 4.666 -12.078 5.178 1.00 0.34 O ATOM 1226 CB PRO A 78 7.313 -10.397 5.014 1.00 0.42 C ATOM 1227 CG PRO A 78 8.742 -10.295 4.598 1.00 0.48 C ATOM 1228 CD PRO A 78 9.074 -11.593 3.921 1.00 0.46 C ATOM 0 HA PRO A 78 6.969 -12.159 6.297 1.00 0.41 H new ATOM 0 HB2 PRO A 78 6.651 -9.999 4.245 1.00 0.42 H new ATOM 0 HB3 PRO A 78 7.127 -9.824 5.922 1.00 0.42 H new ATOM 0 HG2 PRO A 78 8.891 -9.454 3.921 1.00 0.48 H new ATOM 0 HG3 PRO A 78 9.388 -10.129 5.460 1.00 0.48 H new ATOM 0 HD2 PRO A 78 8.863 -11.557 2.852 1.00 0.46 H new ATOM 0 HD3 PRO A 78 10.128 -11.848 4.030 1.00 0.46 H new ATOM 1236 N SER A 79 5.798 -12.948 3.442 1.00 0.34 N ATOM 1237 CA SER A 79 4.592 -13.401 2.759 1.00 0.34 C ATOM 1238 C SER A 79 3.740 -14.246 3.693 1.00 0.38 C ATOM 1239 O SER A 79 2.528 -14.357 3.509 1.00 0.39 O ATOM 1240 CB SER A 79 4.953 -14.201 1.507 1.00 0.39 C ATOM 1241 OG SER A 79 5.156 -15.569 1.815 1.00 1.13 O ATOM 0 H SER A 79 6.668 -13.157 2.952 1.00 0.34 H new ATOM 0 HA SER A 79 4.018 -12.524 2.458 1.00 0.34 H new ATOM 0 HB2 SER A 79 4.157 -14.106 0.769 1.00 0.39 H new ATOM 0 HB3 SER A 79 5.856 -13.789 1.056 1.00 0.39 H new ATOM 0 HG SER A 79 5.537 -16.027 1.036 1.00 1.13 H new ATOM 1247 N ASP A 80 4.372 -14.834 4.703 1.00 0.43 N ATOM 1248 CA ASP A 80 3.651 -15.652 5.663 1.00 0.50 C ATOM 1249 C ASP A 80 2.546 -14.835 6.308 1.00 0.42 C ATOM 1250 O ASP A 80 1.466 -15.351 6.593 1.00 0.47 O ATOM 1251 CB ASP A 80 4.599 -16.204 6.728 1.00 0.62 C ATOM 1252 CG ASP A 80 5.294 -17.475 6.281 1.00 1.27 C ATOM 1253 OD1 ASP A 80 5.880 -17.473 5.178 1.00 2.02 O ATOM 1254 OD2 ASP A 80 5.251 -18.472 7.032 1.00 1.69 O ATOM 0 H ASP A 80 5.375 -14.759 4.875 1.00 0.43 H new ATOM 0 HA ASP A 80 3.207 -16.497 5.137 1.00 0.50 H new ATOM 0 HB2 ASP A 80 5.348 -15.450 6.970 1.00 0.62 H new ATOM 0 HB3 ASP A 80 4.039 -16.402 7.642 1.00 0.62 H new ATOM 1259 N LYS A 81 2.807 -13.546 6.513 1.00 0.38 N ATOM 1260 CA LYS A 81 1.803 -12.674 7.092 1.00 0.33 C ATOM 1261 C LYS A 81 1.010 -12.002 5.980 1.00 0.26 C ATOM 1262 O LYS A 81 1.518 -11.141 5.263 1.00 0.27 O ATOM 1263 CB LYS A 81 2.446 -11.627 8.010 1.00 0.40 C ATOM 1264 CG LYS A 81 3.550 -10.808 7.355 1.00 0.91 C ATOM 1265 CD LYS A 81 3.602 -9.398 7.921 1.00 1.02 C ATOM 1266 CE LYS A 81 5.034 -8.938 8.144 1.00 0.87 C ATOM 1267 NZ LYS A 81 5.674 -9.651 9.282 1.00 1.23 N ATOM 0 H LYS A 81 3.693 -13.093 6.289 1.00 0.38 H new ATOM 0 HA LYS A 81 1.126 -13.273 7.701 1.00 0.33 H new ATOM 0 HB2 LYS A 81 1.670 -10.949 8.367 1.00 0.40 H new ATOM 0 HB3 LYS A 81 2.855 -12.132 8.885 1.00 0.40 H new ATOM 0 HG2 LYS A 81 4.511 -11.300 7.509 1.00 0.91 H new ATOM 0 HG3 LYS A 81 3.383 -10.764 6.279 1.00 0.91 H new ATOM 0 HD2 LYS A 81 3.101 -8.712 7.238 1.00 1.02 H new ATOM 0 HD3 LYS A 81 3.057 -9.363 8.864 1.00 1.02 H new ATOM 0 HE2 LYS A 81 5.615 -9.106 7.237 1.00 0.87 H new ATOM 0 HE3 LYS A 81 5.045 -7.865 8.335 1.00 0.87 H new ATOM 0 HZ1 LYS A 81 6.520 -9.128 9.588 1.00 1.23 H new ATOM 0 HZ2 LYS A 81 5.002 -9.716 10.073 1.00 1.23 H new ATOM 0 HZ3 LYS A 81 5.948 -10.608 8.982 1.00 1.23 H new ATOM 1281 N GLY A 82 -0.237 -12.417 5.837 1.00 0.24 N ATOM 1282 CA GLY A 82 -1.091 -11.871 4.806 1.00 0.24 C ATOM 1283 C GLY A 82 -2.020 -10.795 5.334 1.00 0.28 C ATOM 1284 O GLY A 82 -3.232 -10.848 5.128 1.00 0.53 O ATOM 0 H GLY A 82 -0.676 -13.128 6.422 1.00 0.24 H new ATOM 0 HA2 GLY A 82 -0.474 -11.455 4.009 1.00 0.24 H new ATOM 0 HA3 GLY A 82 -1.682 -12.674 4.365 1.00 0.24 H new ATOM 1288 N ASN A 83 -1.437 -9.798 5.988 1.00 0.23 N ATOM 1289 CA ASN A 83 -2.194 -8.675 6.523 1.00 0.28 C ATOM 1290 C ASN A 83 -1.596 -7.369 6.009 1.00 0.30 C ATOM 1291 O ASN A 83 -0.473 -7.017 6.369 1.00 0.36 O ATOM 1292 CB ASN A 83 -2.186 -8.705 8.053 1.00 0.40 C ATOM 1293 CG ASN A 83 -3.571 -8.531 8.644 1.00 0.82 C ATOM 1294 OD1 ASN A 83 -4.287 -9.505 8.873 1.00 1.63 O ATOM 1295 ND2 ASN A 83 -3.956 -7.285 8.895 1.00 0.96 N ATOM 0 H ASN A 83 -0.433 -9.745 6.161 1.00 0.23 H new ATOM 0 HA ASN A 83 -3.229 -8.749 6.189 1.00 0.28 H new ATOM 0 HB2 ASN A 83 -1.766 -9.652 8.392 1.00 0.40 H new ATOM 0 HB3 ASN A 83 -1.534 -7.915 8.425 1.00 0.40 H new ATOM 0 HD21 ASN A 83 -4.878 -7.107 9.293 1.00 0.96 H new ATOM 0 HD22 ASN A 83 -3.330 -6.507 8.689 1.00 0.96 H new ATOM 1302 N TYR A 84 -2.327 -6.662 5.155 1.00 0.33 N ATOM 1303 CA TYR A 84 -1.821 -5.411 4.594 1.00 0.40 C ATOM 1304 C TYR A 84 -2.719 -4.229 4.938 1.00 0.35 C ATOM 1305 O TYR A 84 -3.943 -4.305 4.822 1.00 0.44 O ATOM 1306 CB TYR A 84 -1.674 -5.537 3.077 1.00 0.57 C ATOM 1307 CG TYR A 84 -0.629 -6.546 2.656 1.00 1.17 C ATOM 1308 CD1 TYR A 84 -0.889 -7.909 2.718 1.00 1.96 C ATOM 1309 CD2 TYR A 84 0.619 -6.135 2.205 1.00 1.74 C ATOM 1310 CE1 TYR A 84 0.064 -8.835 2.340 1.00 2.76 C ATOM 1311 CE2 TYR A 84 1.578 -7.055 1.825 1.00 2.46 C ATOM 1312 CZ TYR A 84 1.295 -8.403 1.894 1.00 2.86 C ATOM 1313 OH TYR A 84 2.248 -9.323 1.518 1.00 3.72 O ATOM 0 H TYR A 84 -3.260 -6.927 4.838 1.00 0.33 H new ATOM 0 HA TYR A 84 -0.844 -5.222 5.039 1.00 0.40 H new ATOM 0 HB2 TYR A 84 -2.635 -5.821 2.649 1.00 0.57 H new ATOM 0 HB3 TYR A 84 -1.415 -4.563 2.662 1.00 0.57 H new ATOM 0 HD1 TYR A 84 -1.852 -8.251 3.067 1.00 1.96 H new ATOM 0 HD2 TYR A 84 0.843 -5.080 2.150 1.00 1.74 H new ATOM 0 HE1 TYR A 84 -0.154 -9.891 2.394 1.00 2.76 H new ATOM 0 HE2 TYR A 84 2.544 -6.720 1.476 1.00 2.46 H new ATOM 0 HH TYR A 84 1.808 -10.126 1.170 1.00 3.72 H new ATOM 1323 N THR A 85 -2.093 -3.132 5.358 1.00 0.32 N ATOM 1324 CA THR A 85 -2.817 -1.921 5.718 1.00 0.33 C ATOM 1325 C THR A 85 -2.291 -0.716 4.939 1.00 0.29 C ATOM 1326 O THR A 85 -1.106 -0.384 5.016 1.00 0.31 O ATOM 1327 CB THR A 85 -2.707 -1.628 7.227 1.00 0.45 C ATOM 1328 OG1 THR A 85 -1.452 -1.002 7.517 1.00 1.14 O ATOM 1329 CG2 THR A 85 -2.838 -2.910 8.039 1.00 1.00 C ATOM 0 H THR A 85 -1.080 -3.060 5.457 1.00 0.32 H new ATOM 0 HA THR A 85 -3.863 -2.089 5.463 1.00 0.33 H new ATOM 0 HB THR A 85 -3.520 -0.956 7.502 1.00 0.45 H new ATOM 0 HG1 THR A 85 -0.789 -1.272 6.847 1.00 1.14 H new ATOM 0 HG21 THR A 85 -2.757 -2.678 9.101 1.00 1.00 H new ATOM 0 HG22 THR A 85 -3.807 -3.369 7.841 1.00 1.00 H new ATOM 0 HG23 THR A 85 -2.044 -3.602 7.757 1.00 1.00 H new ATOM 1337 N CYS A 86 -3.180 -0.066 4.191 1.00 0.30 N ATOM 1338 CA CYS A 86 -2.812 1.104 3.394 1.00 0.30 C ATOM 1339 C CYS A 86 -3.237 2.388 4.096 1.00 0.30 C ATOM 1340 O CYS A 86 -4.418 2.733 4.118 1.00 0.31 O ATOM 1341 CB CYS A 86 -3.463 1.030 2.009 1.00 0.36 C ATOM 1342 SG CYS A 86 -2.976 2.366 0.865 1.00 0.65 S ATOM 0 H CYS A 86 -4.163 -0.330 4.120 1.00 0.30 H new ATOM 0 HA CYS A 86 -1.728 1.110 3.279 1.00 0.30 H new ATOM 0 HB2 CYS A 86 -3.211 0.072 1.555 1.00 0.36 H new ATOM 0 HB3 CYS A 86 -4.546 1.051 2.130 1.00 0.36 H new ATOM 1347 N VAL A 87 -2.270 3.101 4.660 1.00 0.29 N ATOM 1348 CA VAL A 87 -2.557 4.352 5.346 1.00 0.30 C ATOM 1349 C VAL A 87 -2.017 5.532 4.553 1.00 0.31 C ATOM 1350 O VAL A 87 -0.815 5.785 4.550 1.00 0.30 O ATOM 1351 CB VAL A 87 -1.945 4.376 6.763 1.00 0.33 C ATOM 1352 CG1 VAL A 87 -2.247 5.695 7.456 1.00 0.94 C ATOM 1353 CG2 VAL A 87 -2.459 3.204 7.585 1.00 0.97 C ATOM 0 H VAL A 87 -1.285 2.835 4.656 1.00 0.29 H new ATOM 0 HA VAL A 87 -3.641 4.430 5.432 1.00 0.30 H new ATOM 0 HB VAL A 87 -0.863 4.281 6.672 1.00 0.33 H new ATOM 0 HG11 VAL A 87 -1.807 5.691 8.453 1.00 0.94 H new ATOM 0 HG12 VAL A 87 -1.825 6.516 6.876 1.00 0.94 H new ATOM 0 HG13 VAL A 87 -3.326 5.825 7.536 1.00 0.94 H new ATOM 0 HG21 VAL A 87 -2.017 3.237 8.581 1.00 0.97 H new ATOM 0 HG22 VAL A 87 -3.544 3.265 7.667 1.00 0.97 H new ATOM 0 HG23 VAL A 87 -2.184 2.269 7.097 1.00 0.97 H new ATOM 1363 N VAL A 88 -2.901 6.259 3.878 1.00 0.32 N ATOM 1364 CA VAL A 88 -2.471 7.407 3.094 1.00 0.33 C ATOM 1365 C VAL A 88 -2.653 8.700 3.874 1.00 0.30 C ATOM 1366 O VAL A 88 -3.778 9.117 4.152 1.00 0.30 O ATOM 1367 CB VAL A 88 -3.251 7.508 1.768 1.00 0.36 C ATOM 1368 CG1 VAL A 88 -2.598 8.518 0.838 1.00 1.45 C ATOM 1369 CG2 VAL A 88 -3.351 6.145 1.103 1.00 1.50 C ATOM 0 H VAL A 88 -3.904 6.077 3.858 1.00 0.32 H new ATOM 0 HA VAL A 88 -1.413 7.262 2.874 1.00 0.33 H new ATOM 0 HB VAL A 88 -4.261 7.854 1.988 1.00 0.36 H new ATOM 0 HG11 VAL A 88 -3.163 8.575 -0.092 1.00 1.45 H new ATOM 0 HG12 VAL A 88 -2.586 9.498 1.316 1.00 1.45 H new ATOM 0 HG13 VAL A 88 -1.576 8.207 0.623 1.00 1.45 H new ATOM 0 HG21 VAL A 88 -3.905 6.236 0.169 1.00 1.50 H new ATOM 0 HG22 VAL A 88 -2.350 5.767 0.896 1.00 1.50 H new ATOM 0 HG23 VAL A 88 -3.870 5.454 1.767 1.00 1.50 H new ATOM 1379 N GLU A 89 -1.539 9.326 4.232 1.00 0.32 N ATOM 1380 CA GLU A 89 -1.573 10.567 4.990 1.00 0.32 C ATOM 1381 C GLU A 89 -1.302 11.764 4.092 1.00 0.31 C ATOM 1382 O GLU A 89 -0.566 11.668 3.108 1.00 0.32 O ATOM 1383 CB GLU A 89 -0.549 10.530 6.124 1.00 0.37 C ATOM 1384 CG GLU A 89 -0.744 11.630 7.155 1.00 0.43 C ATOM 1385 CD GLU A 89 0.482 11.841 8.023 1.00 0.83 C ATOM 1386 OE1 GLU A 89 0.780 10.957 8.854 1.00 1.33 O ATOM 1387 OE2 GLU A 89 1.143 12.890 7.872 1.00 1.46 O ATOM 0 H GLU A 89 -0.601 8.993 4.009 1.00 0.32 H new ATOM 0 HA GLU A 89 -2.572 10.670 5.414 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -0.606 9.562 6.622 1.00 0.37 H new ATOM 0 HB3 GLU A 89 0.452 10.613 5.701 1.00 0.37 H new ATOM 0 HG2 GLU A 89 -0.988 12.562 6.645 1.00 0.43 H new ATOM 0 HG3 GLU A 89 -1.595 11.382 7.789 1.00 0.43 H new ATOM 1394 N ASN A 90 -1.889 12.898 4.452 1.00 0.33 N ATOM 1395 CA ASN A 90 -1.707 14.131 3.706 1.00 0.36 C ATOM 1396 C ASN A 90 -1.617 15.305 4.672 1.00 0.43 C ATOM 1397 O ASN A 90 -1.977 15.181 5.843 1.00 0.39 O ATOM 1398 CB ASN A 90 -2.862 14.343 2.720 1.00 0.37 C ATOM 1399 CG ASN A 90 -4.190 13.849 3.264 1.00 0.52 C ATOM 1400 OD1 ASN A 90 -4.459 12.649 3.278 1.00 1.54 O ATOM 1401 ND2 ASN A 90 -5.029 14.776 3.711 1.00 0.86 N ATOM 0 H ASN A 90 -2.500 12.987 5.264 1.00 0.33 H new ATOM 0 HA ASN A 90 -0.781 14.063 3.135 1.00 0.36 H new ATOM 0 HB2 ASN A 90 -2.942 15.404 2.483 1.00 0.37 H new ATOM 0 HB3 ASN A 90 -2.639 13.824 1.788 1.00 0.37 H new ATOM 0 HD21 ASN A 90 -5.938 14.503 4.085 1.00 0.86 H new ATOM 0 HD22 ASN A 90 -4.765 15.761 3.680 1.00 0.86 H new ATOM 1408 N GLU A 91 -1.152 16.446 4.183 1.00 0.57 N ATOM 1409 CA GLU A 91 -1.044 17.633 5.020 1.00 0.66 C ATOM 1410 C GLU A 91 -2.424 18.076 5.508 1.00 0.68 C ATOM 1411 O GLU A 91 -2.536 18.870 6.443 1.00 0.75 O ATOM 1412 CB GLU A 91 -0.360 18.770 4.254 1.00 0.76 C ATOM 1413 CG GLU A 91 0.127 19.900 5.148 1.00 1.15 C ATOM 1414 CD GLU A 91 1.250 19.471 6.070 1.00 1.72 C ATOM 1415 OE1 GLU A 91 2.360 19.199 5.569 1.00 2.24 O ATOM 1416 OE2 GLU A 91 1.019 19.409 7.297 1.00 2.34 O ATOM 0 H GLU A 91 -0.846 16.575 3.219 1.00 0.57 H new ATOM 0 HA GLU A 91 -0.435 17.384 5.889 1.00 0.66 H new ATOM 0 HB2 GLU A 91 0.487 18.365 3.700 1.00 0.76 H new ATOM 0 HB3 GLU A 91 -1.058 19.174 3.520 1.00 0.76 H new ATOM 0 HG2 GLU A 91 0.468 20.728 4.527 1.00 1.15 H new ATOM 0 HG3 GLU A 91 -0.706 20.271 5.745 1.00 1.15 H new ATOM 1423 N TYR A 92 -3.476 17.565 4.861 1.00 0.64 N ATOM 1424 CA TYR A 92 -4.845 17.914 5.223 1.00 0.68 C ATOM 1425 C TYR A 92 -5.518 16.823 6.067 1.00 0.60 C ATOM 1426 O TYR A 92 -6.662 16.985 6.488 1.00 0.63 O ATOM 1427 CB TYR A 92 -5.671 18.167 3.958 1.00 0.75 C ATOM 1428 CG TYR A 92 -6.652 19.312 4.087 1.00 1.12 C ATOM 1429 CD1 TYR A 92 -6.251 20.624 3.870 1.00 1.64 C ATOM 1430 CD2 TYR A 92 -7.978 19.079 4.428 1.00 1.54 C ATOM 1431 CE1 TYR A 92 -7.142 21.672 3.990 1.00 2.10 C ATOM 1432 CE2 TYR A 92 -8.878 20.123 4.549 1.00 2.05 C ATOM 1433 CZ TYR A 92 -8.457 21.415 4.320 1.00 2.19 C ATOM 1434 OH TYR A 92 -9.346 22.459 4.449 1.00 2.77 O ATOM 0 H TYR A 92 -3.401 16.908 4.084 1.00 0.64 H new ATOM 0 HA TYR A 92 -4.800 18.820 5.828 1.00 0.68 H new ATOM 0 HB2 TYR A 92 -4.994 18.373 3.129 1.00 0.75 H new ATOM 0 HB3 TYR A 92 -6.218 17.259 3.705 1.00 0.75 H new ATOM 0 HD1 TYR A 92 -5.225 20.828 3.603 1.00 1.64 H new ATOM 0 HD2 TYR A 92 -8.312 18.067 4.602 1.00 1.54 H new ATOM 0 HE1 TYR A 92 -6.812 22.687 3.827 1.00 2.10 H new ATOM 0 HE2 TYR A 92 -9.904 19.926 4.821 1.00 2.05 H new ATOM 0 HH TYR A 92 -10.231 22.108 4.684 1.00 2.77 H new ATOM 1444 N GLY A 93 -4.814 15.718 6.320 1.00 0.52 N ATOM 1445 CA GLY A 93 -5.396 14.648 7.117 1.00 0.47 C ATOM 1446 C GLY A 93 -4.783 13.286 6.840 1.00 0.40 C ATOM 1447 O GLY A 93 -3.983 13.132 5.916 1.00 0.40 O ATOM 0 H GLY A 93 -3.864 15.546 5.992 1.00 0.52 H new ATOM 0 HA2 GLY A 93 -5.274 14.885 8.174 1.00 0.47 H new ATOM 0 HA3 GLY A 93 -6.468 14.602 6.923 1.00 0.47 H new ATOM 1451 N SER A 94 -5.161 12.296 7.650 1.00 0.38 N ATOM 1452 CA SER A 94 -4.650 10.934 7.502 1.00 0.34 C ATOM 1453 C SER A 94 -5.788 9.919 7.463 1.00 0.34 C ATOM 1454 O SER A 94 -6.766 10.037 8.202 1.00 0.38 O ATOM 1455 CB SER A 94 -3.702 10.598 8.652 1.00 0.35 C ATOM 1456 OG SER A 94 -4.411 10.075 9.762 1.00 1.04 O ATOM 0 H SER A 94 -5.822 12.414 8.418 1.00 0.38 H new ATOM 0 HA SER A 94 -4.108 10.881 6.558 1.00 0.34 H new ATOM 0 HB2 SER A 94 -2.960 9.873 8.316 1.00 0.35 H new ATOM 0 HB3 SER A 94 -3.159 11.494 8.953 1.00 0.35 H new ATOM 0 HG SER A 94 -3.781 9.867 10.484 1.00 1.04 H new ATOM 1462 N ILE A 95 -5.656 8.918 6.594 1.00 0.32 N ATOM 1463 CA ILE A 95 -6.676 7.881 6.458 1.00 0.34 C ATOM 1464 C ILE A 95 -6.062 6.490 6.604 1.00 0.31 C ATOM 1465 O ILE A 95 -4.873 6.297 6.349 1.00 0.29 O ATOM 1466 CB ILE A 95 -7.416 7.964 5.102 1.00 0.38 C ATOM 1467 CG1 ILE A 95 -7.291 9.369 4.484 1.00 0.41 C ATOM 1468 CG2 ILE A 95 -8.880 7.580 5.286 1.00 0.44 C ATOM 1469 CD1 ILE A 95 -8.253 9.633 3.343 1.00 0.47 C ATOM 0 H ILE A 95 -4.854 8.804 5.975 1.00 0.32 H new ATOM 0 HA ILE A 95 -7.398 8.052 7.257 1.00 0.34 H new ATOM 0 HB ILE A 95 -6.951 7.260 4.411 1.00 0.38 H new ATOM 0 HG12 ILE A 95 -7.456 10.113 5.264 1.00 0.41 H new ATOM 0 HG13 ILE A 95 -6.271 9.506 4.124 1.00 0.41 H new ATOM 0 HG21 ILE A 95 -9.395 7.641 4.327 1.00 0.44 H new ATOM 0 HG22 ILE A 95 -8.944 6.561 5.668 1.00 0.44 H new ATOM 0 HG23 ILE A 95 -9.349 8.263 5.994 1.00 0.44 H new ATOM 0 HD11 ILE A 95 -8.100 10.644 2.964 1.00 0.47 H new ATOM 0 HD12 ILE A 95 -8.074 8.915 2.543 1.00 0.47 H new ATOM 0 HD13 ILE A 95 -9.278 9.531 3.700 1.00 0.47 H new ATOM 1481 N ASN A 96 -6.876 5.524 7.027 1.00 0.34 N ATOM 1482 CA ASN A 96 -6.404 4.153 7.216 1.00 0.34 C ATOM 1483 C ASN A 96 -7.258 3.148 6.439 1.00 0.34 C ATOM 1484 O ASN A 96 -8.485 3.253 6.411 1.00 0.38 O ATOM 1485 CB ASN A 96 -6.411 3.796 8.704 1.00 0.38 C ATOM 1486 CG ASN A 96 -7.815 3.643 9.260 1.00 1.12 C ATOM 1487 OD1 ASN A 96 -8.315 2.529 9.415 1.00 2.04 O ATOM 1488 ND2 ASN A 96 -8.460 4.764 9.559 1.00 1.12 N ATOM 0 H ASN A 96 -7.863 5.664 7.245 1.00 0.34 H new ATOM 0 HA ASN A 96 -5.386 4.098 6.830 1.00 0.34 H new ATOM 0 HB2 ASN A 96 -5.861 2.867 8.854 1.00 0.38 H new ATOM 0 HB3 ASN A 96 -5.885 4.571 9.262 1.00 0.38 H new ATOM 0 HD21 ASN A 96 -9.408 4.723 9.933 1.00 1.12 H new ATOM 0 HD22 ASN A 96 -8.008 5.667 9.415 1.00 1.12 H new ATOM 1495 N HIS A 97 -6.597 2.168 5.824 1.00 0.32 N ATOM 1496 CA HIS A 97 -7.288 1.130 5.061 1.00 0.34 C ATOM 1497 C HIS A 97 -6.715 -0.253 5.374 1.00 0.33 C ATOM 1498 O HIS A 97 -5.499 -0.442 5.366 1.00 0.33 O ATOM 1499 CB HIS A 97 -7.187 1.407 3.560 1.00 0.36 C ATOM 1500 CG HIS A 97 -8.166 2.431 3.074 1.00 0.43 C ATOM 1501 ND1 HIS A 97 -9.100 3.024 3.895 1.00 1.25 N ATOM 1502 CD2 HIS A 97 -8.353 2.965 1.844 1.00 1.06 C ATOM 1503 CE1 HIS A 97 -9.822 3.877 3.192 1.00 1.06 C ATOM 1504 NE2 HIS A 97 -9.388 3.861 1.945 1.00 0.85 N ATOM 0 H HIS A 97 -5.582 2.071 5.840 1.00 0.32 H new ATOM 0 HA HIS A 97 -8.338 1.145 5.354 1.00 0.34 H new ATOM 0 HB2 HIS A 97 -6.176 1.743 3.328 1.00 0.36 H new ATOM 0 HB3 HIS A 97 -7.346 0.476 3.015 1.00 0.36 H new ATOM 0 HD1 HIS A 97 -9.216 2.834 4.890 1.00 1.25 H new ATOM 0 HD2 HIS A 97 -7.793 2.730 0.951 1.00 1.06 H new ATOM 0 HE1 HIS A 97 -10.630 4.484 3.572 1.00 1.06 H new ATOM 1513 N THR A 98 -7.592 -1.216 5.651 1.00 0.35 N ATOM 1514 CA THR A 98 -7.155 -2.574 5.965 1.00 0.35 C ATOM 1515 C THR A 98 -7.527 -3.555 4.853 1.00 0.35 C ATOM 1516 O THR A 98 -8.644 -3.530 4.336 1.00 0.36 O ATOM 1517 CB THR A 98 -7.763 -3.067 7.293 1.00 0.38 C ATOM 1518 OG1 THR A 98 -7.652 -2.047 8.292 1.00 1.33 O ATOM 1519 CG2 THR A 98 -7.061 -4.328 7.772 1.00 1.36 C ATOM 0 H THR A 98 -8.603 -1.082 5.664 1.00 0.35 H new ATOM 0 HA THR A 98 -6.070 -2.537 6.059 1.00 0.35 H new ATOM 0 HB THR A 98 -8.815 -3.296 7.123 1.00 0.38 H new ATOM 0 HG1 THR A 98 -8.042 -2.368 9.132 1.00 1.33 H new ATOM 0 HG21 THR A 98 -7.506 -4.658 8.711 1.00 1.36 H new ATOM 0 HG22 THR A 98 -7.170 -5.112 7.023 1.00 1.36 H new ATOM 0 HG23 THR A 98 -6.002 -4.119 7.926 1.00 1.36 H new ATOM 1527 N TYR A 99 -6.578 -4.419 4.495 1.00 0.39 N ATOM 1528 CA TYR A 99 -6.791 -5.413 3.446 1.00 0.42 C ATOM 1529 C TYR A 99 -6.501 -6.824 3.967 1.00 0.42 C ATOM 1530 O TYR A 99 -5.511 -7.041 4.665 1.00 0.45 O ATOM 1531 CB TYR A 99 -5.892 -5.106 2.247 1.00 0.53 C ATOM 1532 CG TYR A 99 -5.952 -3.667 1.791 1.00 0.57 C ATOM 1533 CD1 TYR A 99 -7.133 -2.946 1.872 1.00 0.73 C ATOM 1534 CD2 TYR A 99 -4.825 -3.027 1.289 1.00 0.85 C ATOM 1535 CE1 TYR A 99 -7.196 -1.629 1.463 1.00 0.81 C ATOM 1536 CE2 TYR A 99 -4.880 -1.708 0.877 1.00 0.96 C ATOM 1537 CZ TYR A 99 -6.051 -1.023 0.939 1.00 0.81 C ATOM 1538 OH TYR A 99 -6.131 0.298 0.556 1.00 0.96 O ATOM 0 H TYR A 99 -5.651 -4.450 4.919 1.00 0.39 H new ATOM 0 HA TYR A 99 -7.835 -5.368 3.136 1.00 0.42 H new ATOM 0 HB2 TYR A 99 -4.862 -5.353 2.505 1.00 0.53 H new ATOM 0 HB3 TYR A 99 -6.177 -5.752 1.417 1.00 0.53 H new ATOM 0 HD1 TYR A 99 -8.020 -3.423 2.262 1.00 0.73 H new ATOM 0 HD2 TYR A 99 -3.893 -3.568 1.220 1.00 0.85 H new ATOM 0 HE1 TYR A 99 -8.119 -1.074 1.547 1.00 0.81 H new ATOM 0 HE2 TYR A 99 -3.990 -1.222 0.505 1.00 0.96 H new ATOM 0 HH TYR A 99 -5.401 0.503 -0.065 1.00 0.96 H new ATOM 1548 N HIS A 100 -7.381 -7.773 3.647 1.00 0.41 N ATOM 1549 CA HIS A 100 -7.218 -9.141 4.116 1.00 0.44 C ATOM 1550 C HIS A 100 -6.639 -10.083 3.048 1.00 0.42 C ATOM 1551 O HIS A 100 -7.356 -10.618 2.209 1.00 0.45 O ATOM 1552 CB HIS A 100 -8.564 -9.680 4.596 1.00 0.53 C ATOM 1553 CG HIS A 100 -8.773 -9.552 6.073 1.00 0.82 C ATOM 1554 ND1 HIS A 100 -8.477 -8.406 6.781 1.00 1.39 N ATOM 1555 CD2 HIS A 100 -9.269 -10.431 6.976 1.00 1.62 C ATOM 1556 CE1 HIS A 100 -8.779 -8.587 8.055 1.00 1.53 C ATOM 1557 NE2 HIS A 100 -9.260 -9.807 8.199 1.00 1.70 N ATOM 0 H HIS A 100 -8.207 -7.617 3.069 1.00 0.41 H new ATOM 0 HA HIS A 100 -6.499 -9.111 4.935 1.00 0.44 H new ATOM 0 HB2 HIS A 100 -9.363 -9.150 4.078 1.00 0.53 H new ATOM 0 HB3 HIS A 100 -8.645 -10.730 4.316 1.00 0.53 H new ATOM 0 HD2 HIS A 100 -9.608 -11.436 6.772 1.00 1.62 H new ATOM 0 HE1 HIS A 100 -8.653 -7.860 8.844 1.00 1.53 H new ATOM 0 HE2 HIS A 100 -9.574 -10.220 9.077 1.00 1.70 H new ATOM 1566 N LEU A 101 -5.340 -10.335 3.129 1.00 0.44 N ATOM 1567 CA LEU A 101 -4.677 -11.241 2.193 1.00 0.45 C ATOM 1568 C LEU A 101 -4.460 -12.606 2.832 1.00 0.48 C ATOM 1569 O LEU A 101 -4.338 -12.712 4.051 1.00 0.53 O ATOM 1570 CB LEU A 101 -3.349 -10.656 1.718 1.00 0.51 C ATOM 1571 CG LEU A 101 -3.473 -9.415 0.833 1.00 1.07 C ATOM 1572 CD1 LEU A 101 -3.954 -8.223 1.644 1.00 1.90 C ATOM 1573 CD2 LEU A 101 -2.144 -9.105 0.159 1.00 1.63 C ATOM 0 H LEU A 101 -4.723 -9.927 3.831 1.00 0.44 H new ATOM 0 HA LEU A 101 -5.325 -11.364 1.325 1.00 0.45 H new ATOM 0 HB2 LEU A 101 -2.747 -10.404 2.591 1.00 0.51 H new ATOM 0 HB3 LEU A 101 -2.806 -11.424 1.168 1.00 0.51 H new ATOM 0 HG LEU A 101 -4.211 -9.619 0.058 1.00 1.07 H new ATOM 0 HD11 LEU A 101 -4.035 -7.351 0.995 1.00 1.90 H new ATOM 0 HD12 LEU A 101 -4.930 -8.446 2.076 1.00 1.90 H new ATOM 0 HD13 LEU A 101 -3.242 -8.016 2.443 1.00 1.90 H new ATOM 0 HD21 LEU A 101 -2.251 -8.219 -0.467 1.00 1.63 H new ATOM 0 HD22 LEU A 101 -1.384 -8.923 0.919 1.00 1.63 H new ATOM 0 HD23 LEU A 101 -1.843 -9.951 -0.459 1.00 1.63 H new ATOM 1585 N ASP A 102 -4.402 -13.655 2.012 1.00 0.50 N ATOM 1586 CA ASP A 102 -4.187 -15.002 2.526 1.00 0.57 C ATOM 1587 C ASP A 102 -2.971 -15.642 1.857 1.00 0.54 C ATOM 1588 O ASP A 102 -2.730 -15.439 0.664 1.00 0.53 O ATOM 1589 CB ASP A 102 -5.427 -15.867 2.291 1.00 0.65 C ATOM 1590 CG ASP A 102 -5.327 -17.220 2.970 1.00 1.31 C ATOM 1591 OD1 ASP A 102 -4.673 -18.121 2.403 1.00 2.34 O ATOM 1592 OD2 ASP A 102 -5.901 -17.378 4.067 1.00 1.38 O ATOM 0 H ASP A 102 -4.500 -13.597 0.998 1.00 0.50 H new ATOM 0 HA ASP A 102 -4.003 -14.934 3.598 1.00 0.57 H new ATOM 0 HB2 ASP A 102 -6.308 -15.342 2.661 1.00 0.65 H new ATOM 0 HB3 ASP A 102 -5.568 -16.011 1.220 1.00 0.65 H new ATOM 1597 N VAL A 103 -2.211 -16.411 2.630 1.00 0.63 N ATOM 1598 CA VAL A 103 -1.020 -17.078 2.113 1.00 0.68 C ATOM 1599 C VAL A 103 -1.392 -18.316 1.303 1.00 0.66 C ATOM 1600 O VAL A 103 -2.074 -19.213 1.798 1.00 0.75 O ATOM 1601 CB VAL A 103 -0.071 -17.493 3.253 1.00 0.89 C ATOM 1602 CG1 VAL A 103 1.174 -18.165 2.697 1.00 1.56 C ATOM 1603 CG2 VAL A 103 0.302 -16.288 4.106 1.00 1.60 C ATOM 0 H VAL A 103 -2.398 -16.588 3.617 1.00 0.63 H new ATOM 0 HA VAL A 103 -0.511 -16.362 1.467 1.00 0.68 H new ATOM 0 HB VAL A 103 -0.591 -18.211 3.887 1.00 0.89 H new ATOM 0 HG11 VAL A 103 1.831 -18.450 3.519 1.00 1.56 H new ATOM 0 HG12 VAL A 103 0.888 -19.054 2.136 1.00 1.56 H new ATOM 0 HG13 VAL A 103 1.697 -17.473 2.037 1.00 1.56 H new ATOM 0 HG21 VAL A 103 0.973 -16.602 4.906 1.00 1.60 H new ATOM 0 HG22 VAL A 103 0.801 -15.543 3.486 1.00 1.60 H new ATOM 0 HG23 VAL A 103 -0.600 -15.855 4.538 1.00 1.60 H new ATOM 1613 N VAL A 104 -0.939 -18.358 0.053 1.00 0.66 N ATOM 1614 CA VAL A 104 -1.225 -19.487 -0.825 1.00 0.73 C ATOM 1615 C VAL A 104 0.061 -20.089 -1.381 1.00 0.83 C ATOM 1616 O VAL A 104 0.944 -19.369 -1.847 1.00 0.84 O ATOM 1617 CB VAL A 104 -2.133 -19.073 -1.998 1.00 0.86 C ATOM 1618 CG1 VAL A 104 -2.749 -20.299 -2.653 1.00 1.44 C ATOM 1619 CG2 VAL A 104 -3.213 -18.113 -1.524 1.00 1.27 C ATOM 0 H VAL A 104 -0.373 -17.624 -0.374 1.00 0.66 H new ATOM 0 HA VAL A 104 -1.743 -20.233 -0.222 1.00 0.73 H new ATOM 0 HB VAL A 104 -1.524 -18.559 -2.742 1.00 0.86 H new ATOM 0 HG11 VAL A 104 -3.388 -19.988 -3.480 1.00 1.44 H new ATOM 0 HG12 VAL A 104 -1.957 -20.947 -3.030 1.00 1.44 H new ATOM 0 HG13 VAL A 104 -3.344 -20.843 -1.920 1.00 1.44 H new ATOM 0 HG21 VAL A 104 -3.845 -17.831 -2.366 1.00 1.27 H new ATOM 0 HG22 VAL A 104 -3.821 -18.598 -0.760 1.00 1.27 H new ATOM 0 HG23 VAL A 104 -2.748 -17.221 -1.105 1.00 1.27 H new TER 1629 VAL A 104