USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 742 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 138 LYS NZ :NH3+ -165:sc= 0.0994 (180deg=0) USER MOD Set 1.2: A 140 TYR OH : rot 180:sc= 0.0949 USER MOD Set 2.1: A 116 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 120 SER OG : rot 138:sc= 0.311 USER MOD Set 3.1: A 109 SER OG : rot -84:sc= 1.29 USER MOD Set 3.2: A 164 ASN : amide:sc= 0.0427 K(o=1.3,f=-0.56!) USER MOD Set 4.1: A 100 ASN :FLIP amide:sc= -4.95! C(o=-13!,f=-11!) USER MOD Set 4.2: A 144 HIS : no HE2:sc= -6.08! K(o=-11!,f=-14) USER MOD Single : A 92 SER OG : rot 108:sc= 1.21 USER MOD Single : A 95 LYS NZ :NH3+ -178:sc= 1.17 (180deg=1.13) USER MOD Single : A 96 SER OG : rot -120:sc= 0.444 USER MOD Single : A 104 LYS NZ :NH3+ 155:sc= -0.121 (180deg=-0.57) USER MOD Single : A 105 ASN : amide:sc= 0.61 K(o=0.61,f=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= 0.478 K(o=0.48,f=-7.3!) USER MOD Single : A 113 LYS NZ :NH3+ -168:sc= -0.358 (180deg=-0.722) USER MOD Single : A 118 THR OG1 : rot 76:sc= 0.0984 USER MOD Single : A 124 ASN : amide:sc= 1.13 K(o=1.1,f=-1.4) USER MOD Single : A 127 SER OG : rot 6:sc= 0.374 USER MOD Single : A 128 CYS SG : rot 118:sc= -3.43! USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 CYS SG : rot 180:sc= 0.0874 USER MOD Single : A 135 ASN : amide:sc= 1.17 K(o=1.2,f=-0.011) USER MOD Single : A 137 SER OG : rot 180:sc= 0.0605 USER MOD Single : A 147 THR OG1 : rot 180:sc= -0.064 USER MOD Single : A 148 GLN : amide:sc= -2.29 K(o=-2.3,f=-8.7!) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 MET CE :methyl -175:sc= -0.968 (180deg=-1.09) USER MOD Single : A 159 ASN : amide:sc= -1.39! C(o=-1.4!,f=-4!) USER MOD Single : A 161 MET CE :methyl -175:sc= 0 (180deg=-0.0374) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 174 LYS NZ :NH3+ -159:sc= 1.24 (180deg=0.801) USER MOD Single : A 175 SER OG : rot 114:sc= 1.34 USER MOD Single : A 177 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 88 10.584 12.846 15.348 1.00 14.85 N ATOM 2 CA GLY A 88 10.241 12.538 13.939 1.00 14.52 C ATOM 3 C GLY A 88 9.009 11.667 13.837 1.00 14.06 C ATOM 4 O GLY A 88 8.247 11.543 14.799 1.00 14.34 O ATOM 0 HA2 GLY A 88 10.075 13.467 13.394 1.00 14.52 H new ATOM 0 HA3 GLY A 88 11.082 12.035 13.462 1.00 14.52 H new ATOM 10 N ALA A 89 8.811 11.063 12.675 1.00 13.50 N ATOM 11 CA ALA A 89 7.687 10.167 12.454 1.00 13.18 C ATOM 12 C ALA A 89 8.189 8.778 12.089 1.00 12.18 C ATOM 13 O ALA A 89 8.003 7.820 12.839 1.00 12.38 O ATOM 14 CB ALA A 89 6.778 10.711 11.362 1.00 13.38 C ATOM 0 H ALA A 89 9.420 11.179 11.865 1.00 13.50 H new ATOM 0 HA ALA A 89 7.109 10.098 13.376 1.00 13.18 H new ATOM 0 HB1 ALA A 89 5.942 10.028 11.210 1.00 13.38 H new ATOM 0 HB2 ALA A 89 6.398 11.689 11.658 1.00 13.38 H new ATOM 0 HB3 ALA A 89 7.341 10.807 10.434 1.00 13.38 H new ATOM 20 N ASP A 90 8.840 8.683 10.938 1.00 11.25 N ATOM 21 CA ASP A 90 9.421 7.428 10.478 1.00 10.32 C ATOM 22 C ASP A 90 10.305 7.668 9.264 1.00 10.04 C ATOM 23 O ASP A 90 9.834 8.129 8.225 1.00 9.96 O ATOM 24 CB ASP A 90 8.332 6.405 10.134 1.00 9.53 C ATOM 25 CG ASP A 90 8.908 5.110 9.595 1.00 9.74 C ATOM 26 OD1 ASP A 90 9.733 4.478 10.295 1.00 9.91 O ATOM 27 OD2 ASP A 90 8.550 4.719 8.469 1.00 9.92 O ATOM 0 H ASP A 90 8.980 9.467 10.301 1.00 11.25 H new ATOM 0 HA ASP A 90 10.027 7.024 11.289 1.00 10.32 H new ATOM 0 HB2 ASP A 90 7.741 6.194 11.025 1.00 9.53 H new ATOM 0 HB3 ASP A 90 7.654 6.834 9.396 1.00 9.53 H new ATOM 32 N PRO A 91 11.607 7.381 9.387 1.00 10.16 N ATOM 33 CA PRO A 91 12.554 7.528 8.282 1.00 10.16 C ATOM 34 C PRO A 91 12.469 6.370 7.291 1.00 9.18 C ATOM 35 O PRO A 91 13.134 6.372 6.254 1.00 9.15 O ATOM 36 CB PRO A 91 13.906 7.529 8.990 1.00 10.77 C ATOM 37 CG PRO A 91 13.696 6.695 10.206 1.00 11.14 C ATOM 38 CD PRO A 91 12.264 6.907 10.620 1.00 10.63 C ATOM 0 HA PRO A 91 12.364 8.422 7.688 1.00 10.16 H new ATOM 0 HB2 PRO A 91 14.687 7.112 8.354 1.00 10.77 H new ATOM 0 HB3 PRO A 91 14.215 8.541 9.252 1.00 10.77 H new ATOM 0 HG2 PRO A 91 13.888 5.643 9.994 1.00 11.14 H new ATOM 0 HG3 PRO A 91 14.379 6.990 11.003 1.00 11.14 H new ATOM 0 HD2 PRO A 91 11.812 5.984 10.985 1.00 10.63 H new ATOM 0 HD3 PRO A 91 12.184 7.640 11.423 1.00 10.63 H new ATOM 46 N SER A 92 11.638 5.389 7.614 1.00 8.61 N ATOM 47 CA SER A 92 11.487 4.207 6.780 1.00 7.83 C ATOM 48 C SER A 92 10.474 4.449 5.656 1.00 6.91 C ATOM 49 O SER A 92 10.044 3.505 4.988 1.00 6.95 O ATOM 50 CB SER A 92 11.036 3.029 7.641 1.00 8.48 C ATOM 51 OG SER A 92 11.608 3.094 8.938 1.00 9.30 O ATOM 0 H SER A 92 11.056 5.390 8.452 1.00 8.61 H new ATOM 0 HA SER A 92 12.451 3.982 6.324 1.00 7.83 H new ATOM 0 HB2 SER A 92 9.949 3.028 7.720 1.00 8.48 H new ATOM 0 HB3 SER A 92 11.322 2.093 7.161 1.00 8.48 H new ATOM 0 HG SER A 92 10.916 3.334 9.589 1.00 9.30 H new ATOM 57 N LEU A 93 10.110 5.709 5.433 1.00 6.42 N ATOM 58 CA LEU A 93 9.149 6.060 4.389 1.00 5.85 C ATOM 59 C LEU A 93 9.833 6.099 3.027 1.00 4.94 C ATOM 60 O LEU A 93 9.803 7.107 2.320 1.00 5.05 O ATOM 61 CB LEU A 93 8.484 7.408 4.691 1.00 6.31 C ATOM 62 CG LEU A 93 7.646 7.450 5.973 1.00 7.36 C ATOM 63 CD1 LEU A 93 7.060 8.848 6.181 1.00 7.82 C ATOM 64 CD2 LEU A 93 6.528 6.415 5.912 1.00 7.89 C ATOM 0 H LEU A 93 10.466 6.505 5.961 1.00 6.42 H new ATOM 0 HA LEU A 93 8.374 5.294 4.368 1.00 5.85 H new ATOM 0 HB2 LEU A 93 9.260 8.171 4.758 1.00 6.31 H new ATOM 0 HB3 LEU A 93 7.845 7.676 3.850 1.00 6.31 H new ATOM 0 HG LEU A 93 8.294 7.214 6.817 1.00 7.36 H new ATOM 0 HD11 LEU A 93 6.467 8.862 7.096 1.00 7.82 H new ATOM 0 HD12 LEU A 93 7.869 9.573 6.262 1.00 7.82 H new ATOM 0 HD13 LEU A 93 6.425 9.106 5.333 1.00 7.82 H new ATOM 0 HD21 LEU A 93 5.942 6.458 6.830 1.00 7.89 H new ATOM 0 HD22 LEU A 93 5.883 6.626 5.059 1.00 7.89 H new ATOM 0 HD23 LEU A 93 6.959 5.420 5.803 1.00 7.89 H new ATOM 76 N ARG A 94 10.455 4.987 2.682 1.00 4.45 N ATOM 77 CA ARG A 94 11.158 4.833 1.420 1.00 3.96 C ATOM 78 C ARG A 94 10.834 3.460 0.856 1.00 3.05 C ATOM 79 O ARG A 94 9.764 2.917 1.108 1.00 3.26 O ATOM 80 CB ARG A 94 12.673 4.940 1.627 1.00 4.35 C ATOM 81 CG ARG A 94 13.138 6.205 2.327 1.00 5.15 C ATOM 82 CD ARG A 94 14.639 6.171 2.551 1.00 5.75 C ATOM 83 NE ARG A 94 15.117 7.303 3.339 1.00 6.33 N ATOM 84 CZ ARG A 94 15.934 7.176 4.384 1.00 7.04 C ATOM 85 NH1 ARG A 94 16.296 5.966 4.797 1.00 7.28 N ATOM 86 NH2 ARG A 94 16.386 8.251 5.018 1.00 7.78 N ATOM 0 H ARG A 94 10.487 4.157 3.274 1.00 4.45 H new ATOM 0 HA ARG A 94 10.843 5.621 0.736 1.00 3.96 H new ATOM 0 HB2 ARG A 94 13.007 4.079 2.206 1.00 4.35 H new ATOM 0 HB3 ARG A 94 13.162 4.880 0.655 1.00 4.35 H new ATOM 0 HG2 ARG A 94 12.874 7.077 1.728 1.00 5.15 H new ATOM 0 HG3 ARG A 94 12.624 6.308 3.283 1.00 5.15 H new ATOM 0 HD2 ARG A 94 14.906 5.243 3.057 1.00 5.75 H new ATOM 0 HD3 ARG A 94 15.146 6.165 1.586 1.00 5.75 H new ATOM 0 HE ARG A 94 14.810 8.239 3.076 1.00 6.33 H new ATOM 0 HH11 ARG A 94 15.949 5.137 4.314 1.00 7.28 H new ATOM 0 HH12 ARG A 94 16.921 5.866 5.597 1.00 7.28 H new ATOM 0 HH21 ARG A 94 16.108 9.182 4.706 1.00 7.78 H new ATOM 0 HH22 ARG A 94 17.011 8.147 5.817 1.00 7.78 H new ATOM 100 N LYS A 95 11.762 2.898 0.105 1.00 2.37 N ATOM 101 CA LYS A 95 11.644 1.518 -0.327 1.00 1.60 C ATOM 102 C LYS A 95 12.499 0.640 0.587 1.00 1.26 C ATOM 103 O LYS A 95 12.567 -0.576 0.430 1.00 1.52 O ATOM 104 CB LYS A 95 12.077 1.389 -1.793 1.00 1.56 C ATOM 105 CG LYS A 95 11.640 0.095 -2.471 1.00 1.15 C ATOM 106 CD LYS A 95 11.671 0.242 -3.986 1.00 1.36 C ATOM 107 CE LYS A 95 11.047 -0.955 -4.686 1.00 1.24 C ATOM 108 NZ LYS A 95 11.957 -2.130 -4.714 1.00 1.91 N ATOM 0 H LYS A 95 12.604 3.374 -0.218 1.00 2.37 H new ATOM 0 HA LYS A 95 10.607 1.189 -0.260 1.00 1.60 H new ATOM 0 HB2 LYS A 95 11.673 2.232 -2.353 1.00 1.56 H new ATOM 0 HB3 LYS A 95 13.163 1.463 -1.845 1.00 1.56 H new ATOM 0 HG2 LYS A 95 12.296 -0.720 -2.167 1.00 1.15 H new ATOM 0 HG3 LYS A 95 10.633 -0.169 -2.147 1.00 1.15 H new ATOM 0 HD2 LYS A 95 11.138 1.149 -4.273 1.00 1.36 H new ATOM 0 HD3 LYS A 95 12.703 0.359 -4.318 1.00 1.36 H new ATOM 0 HE2 LYS A 95 10.121 -1.227 -4.179 1.00 1.24 H new ATOM 0 HE3 LYS A 95 10.782 -0.679 -5.707 1.00 1.24 H new ATOM 0 HZ1 LYS A 95 11.502 -2.909 -5.230 1.00 1.91 H new ATOM 0 HZ2 LYS A 95 12.844 -1.871 -5.191 1.00 1.91 H new ATOM 0 HZ3 LYS A 95 12.163 -2.433 -3.741 1.00 1.91 H new ATOM 122 N SER A 96 13.132 1.281 1.563 1.00 1.02 N ATOM 123 CA SER A 96 14.003 0.595 2.507 1.00 0.93 C ATOM 124 C SER A 96 13.350 0.453 3.883 1.00 0.89 C ATOM 125 O SER A 96 14.031 0.225 4.880 1.00 1.75 O ATOM 126 CB SER A 96 15.328 1.350 2.621 1.00 1.13 C ATOM 127 OG SER A 96 15.137 2.748 2.459 1.00 1.79 O ATOM 0 H SER A 96 13.056 2.286 1.721 1.00 1.02 H new ATOM 0 HA SER A 96 14.186 -0.412 2.131 1.00 0.93 H new ATOM 0 HB2 SER A 96 15.780 1.152 3.593 1.00 1.13 H new ATOM 0 HB3 SER A 96 16.024 0.985 1.865 1.00 1.13 H new ATOM 0 HG SER A 96 15.652 3.061 1.687 1.00 1.79 H new ATOM 133 N GLY A 97 12.030 0.571 3.930 1.00 0.44 N ATOM 134 CA GLY A 97 11.313 0.343 5.172 1.00 0.29 C ATOM 135 C GLY A 97 10.919 -1.117 5.337 1.00 0.27 C ATOM 136 O GLY A 97 10.220 -1.469 6.284 1.00 0.36 O ATOM 0 H GLY A 97 11.443 0.820 3.134 1.00 0.44 H new ATOM 0 HA2 GLY A 97 11.936 0.649 6.013 1.00 0.29 H new ATOM 0 HA3 GLY A 97 10.419 0.966 5.195 1.00 0.29 H new ATOM 140 N VAL A 98 11.396 -1.955 4.405 1.00 0.29 N ATOM 141 CA VAL A 98 11.024 -3.376 4.304 1.00 0.33 C ATOM 142 C VAL A 98 9.533 -3.577 4.076 1.00 0.25 C ATOM 143 O VAL A 98 8.703 -3.161 4.878 1.00 0.27 O ATOM 144 CB VAL A 98 11.429 -4.222 5.525 1.00 0.49 C ATOM 145 CG1 VAL A 98 10.827 -5.613 5.403 1.00 0.47 C ATOM 146 CG2 VAL A 98 12.931 -4.333 5.651 1.00 0.71 C ATOM 0 H VAL A 98 12.061 -1.661 3.689 1.00 0.29 H new ATOM 0 HA VAL A 98 11.589 -3.721 3.438 1.00 0.33 H new ATOM 0 HB VAL A 98 11.050 -3.726 6.418 1.00 0.49 H new ATOM 0 HG11 VAL A 98 11.114 -6.211 6.268 1.00 0.47 H new ATOM 0 HG12 VAL A 98 9.741 -5.537 5.359 1.00 0.47 H new ATOM 0 HG13 VAL A 98 11.194 -6.090 4.494 1.00 0.47 H new ATOM 0 HG21 VAL A 98 13.179 -4.937 6.524 1.00 0.71 H new ATOM 0 HG22 VAL A 98 13.337 -4.804 4.756 1.00 0.71 H new ATOM 0 HG23 VAL A 98 13.361 -3.338 5.764 1.00 0.71 H new ATOM 156 N GLY A 99 9.194 -4.227 2.981 1.00 0.21 N ATOM 157 CA GLY A 99 7.819 -4.593 2.765 1.00 0.20 C ATOM 158 C GLY A 99 6.952 -3.402 2.428 1.00 0.15 C ATOM 159 O GLY A 99 5.751 -3.402 2.691 1.00 0.18 O ATOM 0 H GLY A 99 9.841 -4.506 2.243 1.00 0.21 H new ATOM 0 HA2 GLY A 99 7.762 -5.321 1.956 1.00 0.20 H new ATOM 0 HA3 GLY A 99 7.431 -5.080 3.659 1.00 0.20 H new ATOM 163 N ASN A 100 7.567 -2.372 1.875 1.00 0.13 N ATOM 164 CA ASN A 100 6.865 -1.120 1.619 1.00 0.14 C ATOM 165 C ASN A 100 6.163 -1.218 0.275 1.00 0.14 C ATOM 166 O ASN A 100 6.798 -1.486 -0.749 1.00 0.19 O ATOM 167 CB ASN A 100 7.889 0.017 1.603 1.00 0.21 C ATOM 168 CG ASN A 100 8.492 0.278 2.970 1.00 0.28 C ATOM 169 OD1 ASN A 100 8.327 -0.661 3.897 1.00 0.63 O flip ATOM 170 ND2 ASN A 100 9.071 1.332 3.213 1.00 0.20 N flip ATOM 0 H ASN A 100 8.548 -2.374 1.594 1.00 0.13 H new ATOM 0 HA ASN A 100 6.123 -0.926 2.394 1.00 0.14 H new ATOM 0 HB2 ASN A 100 8.685 -0.226 0.899 1.00 0.21 H new ATOM 0 HB3 ASN A 100 7.410 0.927 1.241 1.00 0.21 H new ATOM 0 HD21 ASN A 100 9.182 2.033 2.481 1.00 0.20 H new ATOM 0 HD22 ASN A 100 9.441 1.507 4.147 1.00 0.20 H new ATOM 177 N ILE A 101 4.863 -1.003 0.269 1.00 0.12 N ATOM 178 CA ILE A 101 4.096 -1.068 -0.963 1.00 0.13 C ATOM 179 C ILE A 101 3.130 0.098 -1.044 1.00 0.12 C ATOM 180 O ILE A 101 2.796 0.707 -0.026 1.00 0.15 O ATOM 181 CB ILE A 101 3.317 -2.398 -1.097 1.00 0.13 C ATOM 182 CG1 ILE A 101 2.306 -2.546 0.041 1.00 0.11 C ATOM 183 CG2 ILE A 101 4.278 -3.583 -1.128 1.00 0.15 C ATOM 184 CD1 ILE A 101 1.522 -3.841 -0.004 1.00 0.13 C ATOM 0 H ILE A 101 4.315 -0.782 1.100 1.00 0.12 H new ATOM 0 HA ILE A 101 4.808 -1.015 -1.786 1.00 0.13 H new ATOM 0 HB ILE A 101 2.768 -2.382 -2.039 1.00 0.13 H new ATOM 0 HG12 ILE A 101 2.833 -2.484 0.993 1.00 0.11 H new ATOM 0 HG13 ILE A 101 1.609 -1.709 0.007 1.00 0.11 H new ATOM 0 HG21 ILE A 101 3.711 -4.509 -1.223 1.00 0.15 H new ATOM 0 HG22 ILE A 101 4.953 -3.482 -1.978 1.00 0.15 H new ATOM 0 HG23 ILE A 101 4.858 -3.605 -0.205 1.00 0.15 H new ATOM 0 HD11 ILE A 101 0.826 -3.874 0.834 1.00 0.13 H new ATOM 0 HD12 ILE A 101 0.966 -3.898 -0.940 1.00 0.13 H new ATOM 0 HD13 ILE A 101 2.209 -4.685 0.062 1.00 0.13 H new ATOM 196 N PHE A 102 2.678 0.399 -2.247 1.00 0.11 N ATOM 197 CA PHE A 102 1.731 1.477 -2.444 1.00 0.11 C ATOM 198 C PHE A 102 0.490 0.951 -3.157 1.00 0.09 C ATOM 199 O PHE A 102 0.581 0.091 -4.036 1.00 0.11 O ATOM 200 CB PHE A 102 2.398 2.636 -3.209 1.00 0.16 C ATOM 201 CG PHE A 102 1.857 2.896 -4.585 1.00 0.13 C ATOM 202 CD1 PHE A 102 0.741 3.699 -4.760 1.00 0.14 C ATOM 203 CD2 PHE A 102 2.471 2.354 -5.701 1.00 0.17 C ATOM 204 CE1 PHE A 102 0.244 3.952 -6.018 1.00 0.17 C ATOM 205 CE2 PHE A 102 1.980 2.607 -6.966 1.00 0.21 C ATOM 206 CZ PHE A 102 0.864 3.406 -7.126 1.00 0.20 C ATOM 0 H PHE A 102 2.952 -0.088 -3.101 1.00 0.11 H new ATOM 0 HA PHE A 102 1.413 1.870 -1.478 1.00 0.11 H new ATOM 0 HB2 PHE A 102 2.294 3.546 -2.618 1.00 0.16 H new ATOM 0 HB3 PHE A 102 3.465 2.429 -3.290 1.00 0.16 H new ATOM 0 HD1 PHE A 102 0.255 4.132 -3.898 1.00 0.14 H new ATOM 0 HD2 PHE A 102 3.342 1.727 -5.581 1.00 0.17 H new ATOM 0 HE1 PHE A 102 -0.629 4.576 -6.139 1.00 0.17 H new ATOM 0 HE2 PHE A 102 2.468 2.181 -7.830 1.00 0.21 H new ATOM 0 HZ PHE A 102 0.477 3.603 -8.115 1.00 0.20 H new ATOM 216 N ILE A 103 -0.663 1.453 -2.743 1.00 0.08 N ATOM 217 CA ILE A 103 -1.942 1.031 -3.288 1.00 0.08 C ATOM 218 C ILE A 103 -2.641 2.210 -3.955 1.00 0.08 C ATOM 219 O ILE A 103 -2.635 3.319 -3.424 1.00 0.15 O ATOM 220 CB ILE A 103 -2.857 0.473 -2.179 1.00 0.08 C ATOM 221 CG1 ILE A 103 -2.166 -0.661 -1.427 1.00 0.08 C ATOM 222 CG2 ILE A 103 -4.174 -0.016 -2.762 1.00 0.10 C ATOM 223 CD1 ILE A 103 -2.474 -0.660 0.047 1.00 0.09 C ATOM 0 H ILE A 103 -0.737 2.166 -2.018 1.00 0.08 H new ATOM 0 HA ILE A 103 -1.750 0.247 -4.021 1.00 0.08 H new ATOM 0 HB ILE A 103 -3.064 1.281 -1.478 1.00 0.08 H new ATOM 0 HG12 ILE A 103 -2.473 -1.615 -1.856 1.00 0.08 H new ATOM 0 HG13 ILE A 103 -1.088 -0.580 -1.568 1.00 0.08 H new ATOM 0 HG21 ILE A 103 -4.804 -0.405 -1.962 1.00 0.10 H new ATOM 0 HG22 ILE A 103 -4.684 0.812 -3.255 1.00 0.10 H new ATOM 0 HG23 ILE A 103 -3.980 -0.806 -3.488 1.00 0.10 H new ATOM 0 HD11 ILE A 103 -1.955 -1.489 0.528 1.00 0.09 H new ATOM 0 HD12 ILE A 103 -2.142 0.280 0.487 1.00 0.09 H new ATOM 0 HD13 ILE A 103 -3.548 -0.771 0.194 1.00 0.09 H new ATOM 235 N LYS A 104 -3.231 1.972 -5.114 1.00 0.13 N ATOM 236 CA LYS A 104 -3.938 3.017 -5.836 1.00 0.13 C ATOM 237 C LYS A 104 -5.397 2.631 -6.041 1.00 0.12 C ATOM 238 O LYS A 104 -5.725 1.445 -6.095 1.00 0.14 O ATOM 239 CB LYS A 104 -3.287 3.247 -7.201 1.00 0.19 C ATOM 240 CG LYS A 104 -3.303 4.704 -7.655 1.00 0.28 C ATOM 241 CD LYS A 104 -2.692 4.881 -9.038 1.00 0.39 C ATOM 242 CE LYS A 104 -3.696 4.586 -10.143 1.00 0.66 C ATOM 243 NZ LYS A 104 -4.848 5.529 -10.116 1.00 1.46 N ATOM 0 H LYS A 104 -3.235 1.063 -5.576 1.00 0.13 H new ATOM 0 HA LYS A 104 -3.887 3.932 -5.246 1.00 0.13 H new ATOM 0 HB2 LYS A 104 -2.255 2.899 -7.164 1.00 0.19 H new ATOM 0 HB3 LYS A 104 -3.801 2.639 -7.945 1.00 0.19 H new ATOM 0 HG2 LYS A 104 -4.330 5.069 -7.664 1.00 0.28 H new ATOM 0 HG3 LYS A 104 -2.754 5.313 -6.936 1.00 0.28 H new ATOM 0 HD2 LYS A 104 -2.324 5.901 -9.145 1.00 0.39 H new ATOM 0 HD3 LYS A 104 -1.832 4.219 -9.143 1.00 0.39 H new ATOM 0 HE2 LYS A 104 -3.199 4.649 -11.111 1.00 0.66 H new ATOM 0 HE3 LYS A 104 -4.061 3.564 -10.038 1.00 0.66 H new ATOM 0 HZ1 LYS A 104 -5.267 5.592 -11.066 1.00 1.46 H new ATOM 0 HZ2 LYS A 104 -5.563 5.184 -9.444 1.00 1.46 H new ATOM 0 HZ3 LYS A 104 -4.519 6.470 -9.819 1.00 1.46 H new ATOM 257 N ASN A 105 -6.256 3.642 -6.130 1.00 0.12 N ATOM 258 CA ASN A 105 -7.657 3.475 -6.515 1.00 0.13 C ATOM 259 C ASN A 105 -8.451 2.757 -5.424 1.00 0.15 C ATOM 260 O ASN A 105 -9.109 1.746 -5.667 1.00 0.25 O ATOM 261 CB ASN A 105 -7.754 2.734 -7.855 1.00 0.16 C ATOM 262 CG ASN A 105 -9.063 3.000 -8.574 1.00 0.23 C ATOM 263 OD1 ASN A 105 -9.220 4.027 -9.233 1.00 0.49 O ATOM 264 ND2 ASN A 105 -9.994 2.065 -8.489 1.00 0.34 N ATOM 0 H ASN A 105 -5.999 4.610 -5.936 1.00 0.12 H new ATOM 0 HA ASN A 105 -8.099 4.464 -6.637 1.00 0.13 H new ATOM 0 HB2 ASN A 105 -6.924 3.036 -8.494 1.00 0.16 H new ATOM 0 HB3 ASN A 105 -7.649 1.663 -7.682 1.00 0.16 H new ATOM 0 HD21 ASN A 105 -10.880 2.182 -8.980 1.00 0.34 H new ATOM 0 HD22 ASN A 105 -9.826 1.227 -7.932 1.00 0.34 H new ATOM 271 N LEU A 106 -8.385 3.305 -4.217 1.00 0.14 N ATOM 272 CA LEU A 106 -9.126 2.770 -3.080 1.00 0.17 C ATOM 273 C LEU A 106 -10.490 3.437 -2.949 1.00 0.22 C ATOM 274 O LEU A 106 -10.734 4.499 -3.529 1.00 0.26 O ATOM 275 CB LEU A 106 -8.329 2.967 -1.787 1.00 0.16 C ATOM 276 CG LEU A 106 -7.231 1.934 -1.540 1.00 0.14 C ATOM 277 CD1 LEU A 106 -6.176 2.492 -0.607 1.00 0.15 C ATOM 278 CD2 LEU A 106 -7.827 0.671 -0.945 1.00 0.16 C ATOM 0 H LEU A 106 -7.821 4.126 -3.999 1.00 0.14 H new ATOM 0 HA LEU A 106 -9.278 1.704 -3.252 1.00 0.17 H new ATOM 0 HB2 LEU A 106 -7.876 3.958 -1.805 1.00 0.16 H new ATOM 0 HB3 LEU A 106 -9.021 2.947 -0.945 1.00 0.16 H new ATOM 0 HG LEU A 106 -6.763 1.694 -2.495 1.00 0.14 H new ATOM 0 HD11 LEU A 106 -5.402 1.742 -0.443 1.00 0.15 H new ATOM 0 HD12 LEU A 106 -5.730 3.382 -1.052 1.00 0.15 H new ATOM 0 HD13 LEU A 106 -6.635 2.754 0.346 1.00 0.15 H new ATOM 0 HD21 LEU A 106 -7.036 -0.059 -0.773 1.00 0.16 H new ATOM 0 HD22 LEU A 106 -8.313 0.909 0.001 1.00 0.16 H new ATOM 0 HD23 LEU A 106 -8.561 0.255 -1.635 1.00 0.16 H new ATOM 290 N ASP A 107 -11.378 2.804 -2.191 1.00 0.27 N ATOM 291 CA ASP A 107 -12.698 3.356 -1.932 1.00 0.32 C ATOM 292 C ASP A 107 -12.647 4.278 -0.719 1.00 0.30 C ATOM 293 O ASP A 107 -11.768 4.145 0.133 1.00 0.26 O ATOM 294 CB ASP A 107 -13.702 2.222 -1.698 1.00 0.37 C ATOM 295 CG ASP A 107 -15.134 2.711 -1.630 1.00 0.50 C ATOM 296 OD1 ASP A 107 -15.554 3.201 -0.564 1.00 0.71 O ATOM 297 OD2 ASP A 107 -15.849 2.607 -2.643 1.00 0.62 O ATOM 0 H ASP A 107 -11.204 1.904 -1.744 1.00 0.27 H new ATOM 0 HA ASP A 107 -13.020 3.935 -2.798 1.00 0.32 H new ATOM 0 HB2 ASP A 107 -13.610 1.490 -2.501 1.00 0.37 H new ATOM 0 HB3 ASP A 107 -13.454 1.709 -0.769 1.00 0.37 H new ATOM 302 N LYS A 108 -13.586 5.213 -0.649 1.00 0.38 N ATOM 303 CA LYS A 108 -13.655 6.170 0.451 1.00 0.43 C ATOM 304 C LYS A 108 -13.886 5.467 1.789 1.00 0.36 C ATOM 305 O LYS A 108 -13.431 5.933 2.833 1.00 0.46 O ATOM 306 CB LYS A 108 -14.777 7.181 0.203 1.00 0.55 C ATOM 307 CG LYS A 108 -16.178 6.599 0.350 1.00 0.57 C ATOM 308 CD LYS A 108 -17.235 7.629 0.018 1.00 0.90 C ATOM 309 CE LYS A 108 -18.642 7.087 0.223 1.00 1.21 C ATOM 310 NZ LYS A 108 -19.669 8.054 -0.238 1.00 2.20 N ATOM 0 H LYS A 108 -14.319 5.330 -1.349 1.00 0.38 H new ATOM 0 HA LYS A 108 -12.698 6.690 0.497 1.00 0.43 H new ATOM 0 HB2 LYS A 108 -14.665 8.012 0.900 1.00 0.55 H new ATOM 0 HB3 LYS A 108 -14.668 7.590 -0.801 1.00 0.55 H new ATOM 0 HG2 LYS A 108 -16.287 5.737 -0.308 1.00 0.57 H new ATOM 0 HG3 LYS A 108 -16.321 6.242 1.370 1.00 0.57 H new ATOM 0 HD2 LYS A 108 -17.091 8.511 0.643 1.00 0.90 H new ATOM 0 HD3 LYS A 108 -17.117 7.949 -1.017 1.00 0.90 H new ATOM 0 HE2 LYS A 108 -18.754 6.149 -0.320 1.00 1.21 H new ATOM 0 HE3 LYS A 108 -18.797 6.865 1.279 1.00 1.21 H new ATOM 0 HZ1 LYS A 108 -20.617 7.654 -0.084 1.00 2.20 H new ATOM 0 HZ2 LYS A 108 -19.576 8.941 0.298 1.00 2.20 H new ATOM 0 HZ3 LYS A 108 -19.535 8.246 -1.251 1.00 2.20 H new ATOM 324 N SER A 109 -14.596 4.347 1.747 1.00 0.31 N ATOM 325 CA SER A 109 -14.903 3.584 2.953 1.00 0.40 C ATOM 326 C SER A 109 -13.671 2.859 3.500 1.00 0.34 C ATOM 327 O SER A 109 -13.729 2.235 4.560 1.00 0.43 O ATOM 328 CB SER A 109 -16.026 2.581 2.670 1.00 0.56 C ATOM 329 OG SER A 109 -15.717 1.766 1.549 1.00 1.41 O ATOM 0 H SER A 109 -14.972 3.945 0.888 1.00 0.31 H new ATOM 0 HA SER A 109 -15.232 4.290 3.715 1.00 0.40 H new ATOM 0 HB2 SER A 109 -16.185 1.953 3.546 1.00 0.56 H new ATOM 0 HB3 SER A 109 -16.958 3.116 2.488 1.00 0.56 H new ATOM 0 HG SER A 109 -15.966 2.235 0.725 1.00 1.41 H new ATOM 335 N ILE A 110 -12.558 2.937 2.783 1.00 0.23 N ATOM 336 CA ILE A 110 -11.336 2.285 3.220 1.00 0.20 C ATOM 337 C ILE A 110 -10.570 3.171 4.201 1.00 0.20 C ATOM 338 O ILE A 110 -10.167 4.285 3.870 1.00 0.26 O ATOM 339 CB ILE A 110 -10.430 1.911 2.024 1.00 0.20 C ATOM 340 CG1 ILE A 110 -11.141 0.897 1.121 1.00 0.21 C ATOM 341 CG2 ILE A 110 -9.098 1.350 2.508 1.00 0.22 C ATOM 342 CD1 ILE A 110 -11.445 -0.417 1.807 1.00 0.23 C ATOM 0 H ILE A 110 -12.478 3.443 1.901 1.00 0.23 H new ATOM 0 HA ILE A 110 -11.624 1.364 3.726 1.00 0.20 H new ATOM 0 HB ILE A 110 -10.228 2.814 1.448 1.00 0.20 H new ATOM 0 HG12 ILE A 110 -12.073 1.334 0.762 1.00 0.21 H new ATOM 0 HG13 ILE A 110 -10.521 0.705 0.246 1.00 0.21 H new ATOM 0 HG21 ILE A 110 -8.477 1.094 1.649 1.00 0.22 H new ATOM 0 HG22 ILE A 110 -8.587 2.098 3.115 1.00 0.22 H new ATOM 0 HG23 ILE A 110 -9.275 0.457 3.107 1.00 0.22 H new ATOM 0 HD11 ILE A 110 -11.948 -1.085 1.108 1.00 0.23 H new ATOM 0 HD12 ILE A 110 -10.515 -0.876 2.142 1.00 0.23 H new ATOM 0 HD13 ILE A 110 -12.091 -0.238 2.666 1.00 0.23 H new ATOM 354 N ASP A 111 -10.402 2.664 5.413 1.00 0.17 N ATOM 355 CA ASP A 111 -9.641 3.347 6.452 1.00 0.18 C ATOM 356 C ASP A 111 -8.336 2.591 6.664 1.00 0.14 C ATOM 357 O ASP A 111 -8.077 1.609 5.965 1.00 0.13 O ATOM 358 CB ASP A 111 -10.454 3.386 7.755 1.00 0.23 C ATOM 359 CG ASP A 111 -9.882 4.320 8.807 1.00 1.01 C ATOM 360 OD1 ASP A 111 -10.234 5.516 8.804 1.00 1.23 O ATOM 361 OD2 ASP A 111 -9.087 3.856 9.652 1.00 1.59 O ATOM 0 H ASP A 111 -10.789 1.767 5.706 1.00 0.17 H new ATOM 0 HA ASP A 111 -9.429 4.373 6.152 1.00 0.18 H new ATOM 0 HB2 ASP A 111 -11.475 3.693 7.526 1.00 0.23 H new ATOM 0 HB3 ASP A 111 -10.509 2.379 8.168 1.00 0.23 H new ATOM 366 N ASN A 112 -7.539 3.000 7.642 1.00 0.15 N ATOM 367 CA ASN A 112 -6.274 2.328 7.912 1.00 0.13 C ATOM 368 C ASN A 112 -6.570 0.943 8.435 1.00 0.11 C ATOM 369 O ASN A 112 -5.848 -0.010 8.167 1.00 0.12 O ATOM 370 CB ASN A 112 -5.438 3.090 8.942 1.00 0.16 C ATOM 371 CG ASN A 112 -5.044 4.482 8.482 1.00 0.19 C ATOM 372 OD1 ASN A 112 -4.933 4.751 7.289 1.00 0.60 O ATOM 373 ND2 ASN A 112 -4.811 5.372 9.430 1.00 0.55 N ATOM 0 H ASN A 112 -7.743 3.787 8.257 1.00 0.15 H new ATOM 0 HA ASN A 112 -5.700 2.282 6.986 1.00 0.13 H new ATOM 0 HB2 ASN A 112 -6.002 3.168 9.872 1.00 0.16 H new ATOM 0 HB3 ASN A 112 -4.536 2.519 9.163 1.00 0.16 H new ATOM 0 HD21 ASN A 112 -4.528 6.320 9.181 1.00 0.55 H new ATOM 0 HD22 ASN A 112 -4.914 5.111 10.411 1.00 0.55 H new ATOM 380 N LYS A 113 -7.680 0.849 9.150 1.00 0.12 N ATOM 381 CA LYS A 113 -8.155 -0.379 9.703 1.00 0.12 C ATOM 382 C LYS A 113 -8.538 -1.312 8.585 1.00 0.11 C ATOM 383 O LYS A 113 -8.176 -2.471 8.573 1.00 0.11 O ATOM 384 CB LYS A 113 -9.402 -0.057 10.472 1.00 0.15 C ATOM 385 CG LYS A 113 -9.625 -0.863 11.737 1.00 0.28 C ATOM 386 CD LYS A 113 -9.504 -2.373 11.548 1.00 0.54 C ATOM 387 CE LYS A 113 -10.763 -3.027 10.964 1.00 1.63 C ATOM 388 NZ LYS A 113 -12.015 -2.352 11.405 1.00 2.58 N ATOM 0 H LYS A 113 -8.278 1.649 9.358 1.00 0.12 H new ATOM 0 HA LYS A 113 -7.391 -0.840 10.329 1.00 0.12 H new ATOM 0 HB2 LYS A 113 -9.380 1.000 10.737 1.00 0.15 H new ATOM 0 HB3 LYS A 113 -10.259 -0.203 9.815 1.00 0.15 H new ATOM 0 HG2 LYS A 113 -8.904 -0.544 12.489 1.00 0.28 H new ATOM 0 HG3 LYS A 113 -10.616 -0.636 12.129 1.00 0.28 H new ATOM 0 HD2 LYS A 113 -8.660 -2.581 10.891 1.00 0.54 H new ATOM 0 HD3 LYS A 113 -9.280 -2.833 12.510 1.00 0.54 H new ATOM 0 HE2 LYS A 113 -10.707 -3.006 9.876 1.00 1.63 H new ATOM 0 HE3 LYS A 113 -10.795 -4.075 11.262 1.00 1.63 H new ATOM 0 HZ1 LYS A 113 -12.834 -2.942 11.156 1.00 2.58 H new ATOM 0 HZ2 LYS A 113 -11.990 -2.212 12.435 1.00 2.58 H new ATOM 0 HZ3 LYS A 113 -12.097 -1.429 10.932 1.00 2.58 H new ATOM 402 N ALA A 114 -9.307 -0.767 7.664 1.00 0.11 N ATOM 403 CA ALA A 114 -9.826 -1.529 6.539 1.00 0.12 C ATOM 404 C ALA A 114 -8.692 -2.050 5.669 1.00 0.11 C ATOM 405 O ALA A 114 -8.701 -3.209 5.246 1.00 0.13 O ATOM 406 CB ALA A 114 -10.772 -0.665 5.723 1.00 0.15 C ATOM 0 H ALA A 114 -9.591 0.213 7.671 1.00 0.11 H new ATOM 0 HA ALA A 114 -10.375 -2.388 6.923 1.00 0.12 H new ATOM 0 HB1 ALA A 114 -11.157 -1.241 4.882 1.00 0.15 H new ATOM 0 HB2 ALA A 114 -11.602 -0.341 6.351 1.00 0.15 H new ATOM 0 HB3 ALA A 114 -10.237 0.208 5.350 1.00 0.15 H new ATOM 412 N LEU A 115 -7.711 -1.192 5.424 1.00 0.09 N ATOM 413 CA LEU A 115 -6.541 -1.566 4.648 1.00 0.09 C ATOM 414 C LEU A 115 -5.749 -2.622 5.413 1.00 0.08 C ATOM 415 O LEU A 115 -5.386 -3.665 4.864 1.00 0.09 O ATOM 416 CB LEU A 115 -5.683 -0.316 4.406 1.00 0.10 C ATOM 417 CG LEU A 115 -4.710 -0.367 3.222 1.00 0.11 C ATOM 418 CD1 LEU A 115 -4.006 0.968 3.068 1.00 0.16 C ATOM 419 CD2 LEU A 115 -3.688 -1.471 3.392 1.00 0.11 C ATOM 0 H LEU A 115 -7.705 -0.227 5.755 1.00 0.09 H new ATOM 0 HA LEU A 115 -6.840 -1.982 3.686 1.00 0.09 H new ATOM 0 HB2 LEU A 115 -6.351 0.533 4.261 1.00 0.10 H new ATOM 0 HB3 LEU A 115 -5.108 -0.118 5.311 1.00 0.10 H new ATOM 0 HG LEU A 115 -5.289 -0.578 2.323 1.00 0.11 H new ATOM 0 HD11 LEU A 115 -3.317 0.921 2.224 1.00 0.16 H new ATOM 0 HD12 LEU A 115 -4.744 1.750 2.891 1.00 0.16 H new ATOM 0 HD13 LEU A 115 -3.450 1.193 3.978 1.00 0.16 H new ATOM 0 HD21 LEU A 115 -3.015 -1.478 2.535 1.00 0.11 H new ATOM 0 HD22 LEU A 115 -3.114 -1.299 4.303 1.00 0.11 H new ATOM 0 HD23 LEU A 115 -4.198 -2.432 3.461 1.00 0.11 H new ATOM 431 N TYR A 116 -5.522 -2.357 6.693 1.00 0.08 N ATOM 432 CA TYR A 116 -4.837 -3.296 7.561 1.00 0.09 C ATOM 433 C TYR A 116 -5.591 -4.614 7.619 1.00 0.10 C ATOM 434 O TYR A 116 -4.998 -5.673 7.461 1.00 0.11 O ATOM 435 CB TYR A 116 -4.685 -2.709 8.973 1.00 0.10 C ATOM 436 CG TYR A 116 -4.070 -3.666 9.971 1.00 0.13 C ATOM 437 CD1 TYR A 116 -4.859 -4.543 10.706 1.00 0.18 C ATOM 438 CD2 TYR A 116 -2.698 -3.700 10.166 1.00 0.19 C ATOM 439 CE1 TYR A 116 -4.297 -5.424 11.608 1.00 0.23 C ATOM 440 CE2 TYR A 116 -2.125 -4.581 11.067 1.00 0.24 C ATOM 441 CZ TYR A 116 -2.928 -5.441 11.784 1.00 0.23 C ATOM 442 OH TYR A 116 -2.362 -6.322 12.682 1.00 0.30 O ATOM 0 H TYR A 116 -5.806 -1.492 7.152 1.00 0.08 H new ATOM 0 HA TYR A 116 -3.844 -3.481 7.151 1.00 0.09 H new ATOM 0 HB2 TYR A 116 -4.070 -1.811 8.918 1.00 0.10 H new ATOM 0 HB3 TYR A 116 -5.666 -2.402 9.336 1.00 0.10 H new ATOM 0 HD1 TYR A 116 -5.930 -4.535 10.569 1.00 0.18 H new ATOM 0 HD2 TYR A 116 -2.065 -3.028 9.605 1.00 0.19 H new ATOM 0 HE1 TYR A 116 -4.925 -6.097 12.173 1.00 0.23 H new ATOM 0 HE2 TYR A 116 -1.054 -4.594 11.207 1.00 0.24 H new ATOM 0 HH TYR A 116 -1.389 -6.206 12.685 1.00 0.30 H new ATOM 452 N ASP A 117 -6.903 -4.538 7.799 1.00 0.10 N ATOM 453 CA ASP A 117 -7.725 -5.730 7.955 1.00 0.12 C ATOM 454 C ASP A 117 -7.568 -6.668 6.765 1.00 0.12 C ATOM 455 O ASP A 117 -7.507 -7.885 6.930 1.00 0.15 O ATOM 456 CB ASP A 117 -9.195 -5.335 8.104 1.00 0.16 C ATOM 457 CG ASP A 117 -10.098 -6.529 8.331 1.00 0.27 C ATOM 458 OD1 ASP A 117 -10.185 -7.002 9.486 1.00 0.36 O ATOM 459 OD2 ASP A 117 -10.733 -6.986 7.359 1.00 0.40 O ATOM 0 H ASP A 117 -7.422 -3.661 7.841 1.00 0.10 H new ATOM 0 HA ASP A 117 -7.392 -6.253 8.852 1.00 0.12 H new ATOM 0 HB2 ASP A 117 -9.298 -4.642 8.939 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -9.518 -4.805 7.208 1.00 0.16 H new ATOM 464 N THR A 118 -7.494 -6.106 5.571 1.00 0.11 N ATOM 465 CA THR A 118 -7.344 -6.909 4.370 1.00 0.11 C ATOM 466 C THR A 118 -5.902 -7.406 4.178 1.00 0.10 C ATOM 467 O THR A 118 -5.668 -8.609 4.034 1.00 0.12 O ATOM 468 CB THR A 118 -7.791 -6.109 3.131 1.00 0.13 C ATOM 469 OG1 THR A 118 -9.150 -5.685 3.295 1.00 0.22 O ATOM 470 CG2 THR A 118 -7.673 -6.949 1.870 1.00 0.17 C ATOM 0 H THR A 118 -7.535 -5.100 5.407 1.00 0.11 H new ATOM 0 HA THR A 118 -7.981 -7.785 4.489 1.00 0.11 H new ATOM 0 HB THR A 118 -7.141 -5.240 3.032 1.00 0.13 H new ATOM 0 HG1 THR A 118 -9.184 -4.927 3.915 1.00 0.22 H new ATOM 0 HG21 THR A 118 -7.994 -6.361 1.010 1.00 0.17 H new ATOM 0 HG22 THR A 118 -6.636 -7.256 1.733 1.00 0.17 H new ATOM 0 HG23 THR A 118 -8.304 -7.833 1.961 1.00 0.17 H new ATOM 478 N PHE A 119 -4.942 -6.483 4.192 1.00 0.08 N ATOM 479 CA PHE A 119 -3.546 -6.809 3.884 1.00 0.08 C ATOM 480 C PHE A 119 -2.872 -7.620 4.998 1.00 0.08 C ATOM 481 O PHE A 119 -1.953 -8.390 4.736 1.00 0.09 O ATOM 482 CB PHE A 119 -2.741 -5.548 3.537 1.00 0.08 C ATOM 483 CG PHE A 119 -3.149 -4.908 2.226 1.00 0.08 C ATOM 484 CD1 PHE A 119 -4.435 -4.420 2.053 1.00 0.10 C ATOM 485 CD2 PHE A 119 -2.249 -4.779 1.168 1.00 0.08 C ATOM 486 CE1 PHE A 119 -4.818 -3.826 0.868 1.00 0.11 C ATOM 487 CE2 PHE A 119 -2.630 -4.184 -0.016 1.00 0.10 C ATOM 488 CZ PHE A 119 -3.916 -3.707 -0.166 1.00 0.09 C ATOM 0 H PHE A 119 -5.103 -5.501 4.414 1.00 0.08 H new ATOM 0 HA PHE A 119 -3.560 -7.449 3.001 1.00 0.08 H new ATOM 0 HB2 PHE A 119 -2.859 -4.820 4.339 1.00 0.08 H new ATOM 0 HB3 PHE A 119 -1.682 -5.804 3.492 1.00 0.08 H new ATOM 0 HD1 PHE A 119 -5.149 -4.506 2.859 1.00 0.10 H new ATOM 0 HD2 PHE A 119 -1.241 -5.150 1.278 1.00 0.08 H new ATOM 0 HE1 PHE A 119 -5.825 -3.454 0.751 1.00 0.11 H new ATOM 0 HE2 PHE A 119 -1.922 -4.091 -0.826 1.00 0.10 H new ATOM 0 HZ PHE A 119 -4.215 -3.241 -1.093 1.00 0.09 H new ATOM 498 N SER A 120 -3.328 -7.445 6.238 1.00 0.09 N ATOM 499 CA SER A 120 -2.737 -8.136 7.391 1.00 0.09 C ATOM 500 C SER A 120 -2.783 -9.655 7.212 1.00 0.08 C ATOM 501 O SER A 120 -1.948 -10.375 7.758 1.00 0.09 O ATOM 502 CB SER A 120 -3.440 -7.732 8.693 1.00 0.13 C ATOM 503 OG SER A 120 -2.762 -8.236 9.833 1.00 0.19 O ATOM 0 H SER A 120 -4.107 -6.830 6.473 1.00 0.09 H new ATOM 0 HA SER A 120 -1.692 -7.833 7.454 1.00 0.09 H new ATOM 0 HB2 SER A 120 -3.497 -6.645 8.754 1.00 0.13 H new ATOM 0 HB3 SER A 120 -4.464 -8.105 8.684 1.00 0.13 H new ATOM 0 HG SER A 120 -2.729 -7.544 10.526 1.00 0.19 H new ATOM 509 N ALA A 121 -3.775 -10.142 6.473 1.00 0.09 N ATOM 510 CA ALA A 121 -3.893 -11.571 6.186 1.00 0.11 C ATOM 511 C ALA A 121 -2.635 -12.108 5.498 1.00 0.11 C ATOM 512 O ALA A 121 -2.353 -13.306 5.550 1.00 0.13 O ATOM 513 CB ALA A 121 -5.111 -11.833 5.316 1.00 0.14 C ATOM 0 H ALA A 121 -4.511 -9.569 6.061 1.00 0.09 H new ATOM 0 HA ALA A 121 -4.009 -12.093 7.136 1.00 0.11 H new ATOM 0 HB1 ALA A 121 -5.188 -12.900 5.109 1.00 0.14 H new ATOM 0 HB2 ALA A 121 -6.009 -11.499 5.836 1.00 0.14 H new ATOM 0 HB3 ALA A 121 -5.012 -11.288 4.377 1.00 0.14 H new ATOM 519 N PHE A 122 -1.887 -11.218 4.859 1.00 0.08 N ATOM 520 CA PHE A 122 -0.676 -11.599 4.145 1.00 0.09 C ATOM 521 C PHE A 122 0.532 -11.536 5.070 1.00 0.10 C ATOM 522 O PHE A 122 1.523 -12.241 4.870 1.00 0.18 O ATOM 523 CB PHE A 122 -0.472 -10.676 2.942 1.00 0.09 C ATOM 524 CG PHE A 122 -1.704 -10.556 2.099 1.00 0.09 C ATOM 525 CD1 PHE A 122 -2.283 -11.681 1.541 1.00 0.13 C ATOM 526 CD2 PHE A 122 -2.293 -9.324 1.880 1.00 0.10 C ATOM 527 CE1 PHE A 122 -3.429 -11.578 0.784 1.00 0.16 C ATOM 528 CE2 PHE A 122 -3.437 -9.214 1.122 1.00 0.12 C ATOM 529 CZ PHE A 122 -4.006 -10.344 0.572 1.00 0.13 C ATOM 0 H PHE A 122 -2.100 -10.221 4.821 1.00 0.08 H new ATOM 0 HA PHE A 122 -0.784 -12.625 3.793 1.00 0.09 H new ATOM 0 HB2 PHE A 122 -0.177 -9.687 3.292 1.00 0.09 H new ATOM 0 HB3 PHE A 122 0.347 -11.055 2.331 1.00 0.09 H new ATOM 0 HD1 PHE A 122 -1.832 -12.649 1.700 1.00 0.13 H new ATOM 0 HD2 PHE A 122 -1.850 -8.437 2.309 1.00 0.10 H new ATOM 0 HE1 PHE A 122 -3.875 -12.464 0.357 1.00 0.16 H new ATOM 0 HE2 PHE A 122 -3.888 -8.246 0.958 1.00 0.12 H new ATOM 0 HZ PHE A 122 -4.903 -10.262 -0.024 1.00 0.13 H new ATOM 539 N GLY A 123 0.433 -10.693 6.087 1.00 0.09 N ATOM 540 CA GLY A 123 1.500 -10.546 7.049 1.00 0.10 C ATOM 541 C GLY A 123 1.220 -9.409 8.003 1.00 0.09 C ATOM 542 O GLY A 123 0.290 -8.633 7.787 1.00 0.11 O ATOM 0 H GLY A 123 -0.380 -10.102 6.262 1.00 0.09 H new ATOM 0 HA2 GLY A 123 1.619 -11.474 7.609 1.00 0.10 H new ATOM 0 HA3 GLY A 123 2.440 -10.365 6.529 1.00 0.10 H new ATOM 546 N ASN A 124 2.014 -9.304 9.054 1.00 0.13 N ATOM 547 CA ASN A 124 1.828 -8.247 10.036 1.00 0.14 C ATOM 548 C ASN A 124 2.230 -6.910 9.431 1.00 0.11 C ATOM 549 O ASN A 124 3.161 -6.832 8.636 1.00 0.14 O ATOM 550 CB ASN A 124 2.646 -8.531 11.300 1.00 0.18 C ATOM 551 CG ASN A 124 2.421 -7.498 12.390 1.00 0.21 C ATOM 552 OD1 ASN A 124 1.340 -6.917 12.498 1.00 0.24 O ATOM 553 ND2 ASN A 124 3.435 -7.273 13.211 1.00 0.25 N ATOM 0 H ASN A 124 2.791 -9.935 9.250 1.00 0.13 H new ATOM 0 HA ASN A 124 0.776 -8.209 10.317 1.00 0.14 H new ATOM 0 HB2 ASN A 124 2.386 -9.518 11.682 1.00 0.18 H new ATOM 0 HB3 ASN A 124 3.705 -8.558 11.044 1.00 0.18 H new ATOM 0 HD21 ASN A 124 3.338 -6.597 13.968 1.00 0.25 H new ATOM 0 HD22 ASN A 124 4.314 -7.776 13.086 1.00 0.25 H new ATOM 560 N ILE A 125 1.508 -5.875 9.791 1.00 0.11 N ATOM 561 CA ILE A 125 1.763 -4.545 9.272 1.00 0.10 C ATOM 562 C ILE A 125 2.218 -3.624 10.398 1.00 0.11 C ATOM 563 O ILE A 125 1.637 -3.635 11.481 1.00 0.14 O ATOM 564 CB ILE A 125 0.495 -3.972 8.611 1.00 0.11 C ATOM 565 CG1 ILE A 125 0.030 -4.884 7.471 1.00 0.10 C ATOM 566 CG2 ILE A 125 0.741 -2.560 8.105 1.00 0.14 C ATOM 567 CD1 ILE A 125 -1.279 -4.457 6.843 1.00 0.11 C ATOM 0 H ILE A 125 0.730 -5.927 10.449 1.00 0.11 H new ATOM 0 HA ILE A 125 2.551 -4.612 8.521 1.00 0.10 H new ATOM 0 HB ILE A 125 -0.294 -3.928 9.361 1.00 0.11 H new ATOM 0 HG12 ILE A 125 0.801 -4.909 6.701 1.00 0.10 H new ATOM 0 HG13 ILE A 125 -0.074 -5.900 7.851 1.00 0.10 H new ATOM 0 HG21 ILE A 125 -0.168 -2.176 7.642 1.00 0.14 H new ATOM 0 HG22 ILE A 125 1.022 -1.918 8.940 1.00 0.14 H new ATOM 0 HG23 ILE A 125 1.545 -2.572 7.370 1.00 0.14 H new ATOM 0 HD11 ILE A 125 -1.543 -5.150 6.044 1.00 0.11 H new ATOM 0 HD12 ILE A 125 -2.064 -4.460 7.600 1.00 0.11 H new ATOM 0 HD13 ILE A 125 -1.175 -3.453 6.432 1.00 0.11 H new ATOM 579 N LEU A 126 3.261 -2.839 10.150 1.00 0.13 N ATOM 580 CA LEU A 126 3.777 -1.934 11.172 1.00 0.15 C ATOM 581 C LEU A 126 3.126 -0.567 11.016 1.00 0.16 C ATOM 582 O LEU A 126 2.846 0.125 11.996 1.00 0.24 O ATOM 583 CB LEU A 126 5.308 -1.759 11.094 1.00 0.19 C ATOM 584 CG LEU A 126 6.178 -3.020 10.938 1.00 0.21 C ATOM 585 CD1 LEU A 126 5.536 -4.251 11.554 1.00 0.53 C ATOM 586 CD2 LEU A 126 6.521 -3.248 9.482 1.00 0.54 C ATOM 0 H LEU A 126 3.761 -2.810 9.261 1.00 0.13 H new ATOM 0 HA LEU A 126 3.538 -2.377 12.139 1.00 0.15 H new ATOM 0 HB2 LEU A 126 5.525 -1.099 10.254 1.00 0.19 H new ATOM 0 HB3 LEU A 126 5.630 -1.242 11.998 1.00 0.19 H new ATOM 0 HG LEU A 126 7.102 -2.847 11.491 1.00 0.21 H new ATOM 0 HD11 LEU A 126 6.191 -5.111 11.416 1.00 0.53 H new ATOM 0 HD12 LEU A 126 5.377 -4.084 12.619 1.00 0.53 H new ATOM 0 HD13 LEU A 126 4.579 -4.443 11.070 1.00 0.53 H new ATOM 0 HD21 LEU A 126 7.136 -4.143 9.389 1.00 0.54 H new ATOM 0 HD22 LEU A 126 5.603 -3.377 8.908 1.00 0.54 H new ATOM 0 HD23 LEU A 126 7.071 -2.388 9.099 1.00 0.54 H new ATOM 598 N SER A 127 2.895 -0.178 9.769 1.00 0.14 N ATOM 599 CA SER A 127 2.344 1.134 9.469 1.00 0.17 C ATOM 600 C SER A 127 1.640 1.145 8.115 1.00 0.19 C ATOM 601 O SER A 127 2.279 1.247 7.068 1.00 0.37 O ATOM 602 CB SER A 127 3.455 2.190 9.491 1.00 0.19 C ATOM 603 OG SER A 127 3.941 2.393 10.810 1.00 0.76 O ATOM 0 H SER A 127 3.082 -0.755 8.949 1.00 0.14 H new ATOM 0 HA SER A 127 1.606 1.371 10.235 1.00 0.17 H new ATOM 0 HB2 SER A 127 4.273 1.875 8.843 1.00 0.19 H new ATOM 0 HB3 SER A 127 3.075 3.130 9.091 1.00 0.19 H new ATOM 0 HG SER A 127 3.524 1.745 11.416 1.00 0.76 H new ATOM 609 N CYS A 128 0.328 0.997 8.136 1.00 0.18 N ATOM 610 CA CYS A 128 -0.471 1.157 6.934 1.00 0.17 C ATOM 611 C CYS A 128 -1.181 2.501 6.976 1.00 0.16 C ATOM 612 O CYS A 128 -1.435 3.041 8.056 1.00 0.28 O ATOM 613 CB CYS A 128 -1.488 0.024 6.797 1.00 0.21 C ATOM 614 SG CYS A 128 -2.447 -0.294 8.293 1.00 0.72 S ATOM 0 H CYS A 128 -0.208 0.766 8.973 1.00 0.18 H new ATOM 0 HA CYS A 128 0.188 1.120 6.067 1.00 0.17 H new ATOM 0 HB2 CYS A 128 -2.173 0.262 5.983 1.00 0.21 H new ATOM 0 HB3 CYS A 128 -0.963 -0.888 6.515 1.00 0.21 H new ATOM 0 HG CYS A 128 -3.706 -0.071 8.057 1.00 0.72 H new ATOM 620 N LYS A 129 -1.491 3.044 5.815 1.00 0.13 N ATOM 621 CA LYS A 129 -2.089 4.362 5.740 1.00 0.14 C ATOM 622 C LYS A 129 -2.983 4.494 4.513 1.00 0.12 C ATOM 623 O LYS A 129 -2.598 4.117 3.412 1.00 0.12 O ATOM 624 CB LYS A 129 -0.980 5.423 5.704 1.00 0.18 C ATOM 625 CG LYS A 129 -1.472 6.848 5.493 1.00 0.23 C ATOM 626 CD LYS A 129 -2.270 7.370 6.680 1.00 0.36 C ATOM 627 CE LYS A 129 -2.665 8.825 6.467 1.00 0.47 C ATOM 628 NZ LYS A 129 -3.474 9.363 7.593 1.00 1.00 N ATOM 0 H LYS A 129 -1.339 2.594 4.912 1.00 0.13 H new ATOM 0 HA LYS A 129 -2.712 4.512 6.622 1.00 0.14 H new ATOM 0 HB2 LYS A 129 -0.424 5.380 6.640 1.00 0.18 H new ATOM 0 HB3 LYS A 129 -0.281 5.172 4.906 1.00 0.18 H new ATOM 0 HG2 LYS A 129 -0.618 7.502 5.318 1.00 0.23 H new ATOM 0 HG3 LYS A 129 -2.092 6.886 4.597 1.00 0.23 H new ATOM 0 HD2 LYS A 129 -3.164 6.762 6.819 1.00 0.36 H new ATOM 0 HD3 LYS A 129 -1.678 7.279 7.591 1.00 0.36 H new ATOM 0 HE2 LYS A 129 -1.766 9.429 6.348 1.00 0.47 H new ATOM 0 HE3 LYS A 129 -3.233 8.913 5.541 1.00 0.47 H new ATOM 0 HZ1 LYS A 129 -3.718 10.356 7.402 1.00 1.00 H new ATOM 0 HZ2 LYS A 129 -4.346 8.805 7.692 1.00 1.00 H new ATOM 0 HZ3 LYS A 129 -2.924 9.305 8.474 1.00 1.00 H new ATOM 642 N VAL A 130 -4.177 5.016 4.730 1.00 0.15 N ATOM 643 CA VAL A 130 -5.078 5.380 3.657 1.00 0.17 C ATOM 644 C VAL A 130 -5.233 6.876 3.695 1.00 0.20 C ATOM 645 O VAL A 130 -5.816 7.425 4.629 1.00 0.24 O ATOM 646 CB VAL A 130 -6.480 4.746 3.782 1.00 0.21 C ATOM 647 CG1 VAL A 130 -7.358 5.169 2.608 1.00 0.28 C ATOM 648 CG2 VAL A 130 -6.393 3.235 3.861 1.00 0.21 C ATOM 0 H VAL A 130 -4.549 5.199 5.662 1.00 0.15 H new ATOM 0 HA VAL A 130 -4.650 5.014 2.724 1.00 0.17 H new ATOM 0 HB VAL A 130 -6.932 5.104 4.707 1.00 0.21 H new ATOM 0 HG11 VAL A 130 -8.344 4.715 2.709 1.00 0.28 H new ATOM 0 HG12 VAL A 130 -7.458 6.254 2.601 1.00 0.28 H new ATOM 0 HG13 VAL A 130 -6.901 4.840 1.675 1.00 0.28 H new ATOM 0 HG21 VAL A 130 -7.396 2.817 3.948 1.00 0.21 H new ATOM 0 HG22 VAL A 130 -5.917 2.850 2.959 1.00 0.21 H new ATOM 0 HG23 VAL A 130 -5.804 2.950 4.732 1.00 0.21 H new ATOM 658 N VAL A 131 -4.691 7.535 2.712 1.00 0.21 N ATOM 659 CA VAL A 131 -4.697 8.973 2.703 1.00 0.27 C ATOM 660 C VAL A 131 -6.069 9.444 2.261 1.00 0.33 C ATOM 661 O VAL A 131 -6.493 9.199 1.130 1.00 0.33 O ATOM 662 CB VAL A 131 -3.578 9.481 1.787 1.00 0.28 C ATOM 663 CG1 VAL A 131 -3.282 10.948 2.043 1.00 0.34 C ATOM 664 CG2 VAL A 131 -2.338 8.631 2.018 1.00 0.25 C ATOM 0 H VAL A 131 -4.239 7.102 1.906 1.00 0.21 H new ATOM 0 HA VAL A 131 -4.505 9.376 3.697 1.00 0.27 H new ATOM 0 HB VAL A 131 -3.895 9.395 0.748 1.00 0.28 H new ATOM 0 HG11 VAL A 131 -2.484 11.280 1.378 1.00 0.34 H new ATOM 0 HG12 VAL A 131 -4.179 11.538 1.856 1.00 0.34 H new ATOM 0 HG13 VAL A 131 -2.970 11.081 3.079 1.00 0.34 H new ATOM 0 HG21 VAL A 131 -1.532 8.980 1.373 1.00 0.25 H new ATOM 0 HG22 VAL A 131 -2.030 8.713 3.060 1.00 0.25 H new ATOM 0 HG23 VAL A 131 -2.562 7.590 1.787 1.00 0.25 H new ATOM 674 N CYS A 132 -6.774 10.097 3.169 1.00 0.43 N ATOM 675 CA CYS A 132 -8.194 10.317 2.999 1.00 0.55 C ATOM 676 C CYS A 132 -8.526 11.752 2.627 1.00 0.58 C ATOM 677 O CYS A 132 -7.981 12.696 3.198 1.00 0.66 O ATOM 678 CB CYS A 132 -8.924 9.916 4.282 1.00 0.75 C ATOM 679 SG CYS A 132 -8.135 10.510 5.797 1.00 1.58 S ATOM 0 H CYS A 132 -6.384 10.482 4.029 1.00 0.43 H new ATOM 0 HA CYS A 132 -8.528 9.697 2.167 1.00 0.55 H new ATOM 0 HB2 CYS A 132 -9.944 10.299 4.242 1.00 0.75 H new ATOM 0 HB3 CYS A 132 -8.993 8.829 4.323 1.00 0.75 H new ATOM 0 HG CYS A 132 -8.827 10.123 6.827 1.00 1.58 H new ATOM 685 N ASP A 133 -9.408 11.907 1.645 1.00 0.59 N ATOM 686 CA ASP A 133 -9.935 13.208 1.307 1.00 0.72 C ATOM 687 C ASP A 133 -11.154 13.488 2.176 1.00 0.93 C ATOM 688 O ASP A 133 -11.588 12.617 2.933 1.00 0.99 O ATOM 689 CB ASP A 133 -10.287 13.320 -0.183 1.00 0.70 C ATOM 690 CG ASP A 133 -11.726 12.961 -0.491 1.00 1.09 C ATOM 691 OD1 ASP A 133 -12.120 11.803 -0.266 1.00 2.08 O ATOM 692 OD2 ASP A 133 -12.473 13.848 -0.950 1.00 1.20 O ATOM 0 H ASP A 133 -9.768 11.142 1.074 1.00 0.59 H new ATOM 0 HA ASP A 133 -9.165 13.955 1.499 1.00 0.72 H new ATOM 0 HB2 ASP A 133 -10.095 14.339 -0.518 1.00 0.70 H new ATOM 0 HB3 ASP A 133 -9.627 12.667 -0.754 1.00 0.70 H new ATOM 697 N GLU A 134 -11.694 14.690 2.074 1.00 1.12 N ATOM 698 CA GLU A 134 -12.888 15.072 2.833 1.00 1.35 C ATOM 699 C GLU A 134 -14.056 14.103 2.595 1.00 1.36 C ATOM 700 O GLU A 134 -14.865 13.867 3.494 1.00 1.52 O ATOM 701 CB GLU A 134 -13.336 16.495 2.475 1.00 1.57 C ATOM 702 CG GLU A 134 -13.917 16.625 1.076 1.00 1.60 C ATOM 703 CD GLU A 134 -14.514 17.989 0.821 1.00 1.96 C ATOM 704 OE1 GLU A 134 -15.414 18.402 1.580 1.00 2.45 O ATOM 705 OE2 GLU A 134 -14.091 18.654 -0.147 1.00 2.09 O ATOM 0 H GLU A 134 -11.327 15.427 1.471 1.00 1.12 H new ATOM 0 HA GLU A 134 -12.612 15.030 3.887 1.00 1.35 H new ATOM 0 HB2 GLU A 134 -14.081 16.824 3.199 1.00 1.57 H new ATOM 0 HB3 GLU A 134 -12.483 17.168 2.568 1.00 1.57 H new ATOM 0 HG2 GLU A 134 -13.135 16.432 0.342 1.00 1.60 H new ATOM 0 HG3 GLU A 134 -14.684 15.864 0.933 1.00 1.60 H new ATOM 712 N ASN A 135 -14.134 13.532 1.394 1.00 1.25 N ATOM 713 CA ASN A 135 -15.263 12.674 1.028 1.00 1.31 C ATOM 714 C ASN A 135 -15.021 11.239 1.468 1.00 1.25 C ATOM 715 O ASN A 135 -15.940 10.421 1.471 1.00 1.36 O ATOM 716 CB ASN A 135 -15.520 12.692 -0.486 1.00 1.32 C ATOM 717 CG ASN A 135 -15.940 14.050 -1.015 1.00 1.47 C ATOM 718 OD1 ASN A 135 -17.114 14.417 -0.953 1.00 1.65 O ATOM 719 ND2 ASN A 135 -14.997 14.785 -1.582 1.00 1.46 N ATOM 0 H ASN A 135 -13.434 13.646 0.661 1.00 1.25 H new ATOM 0 HA ASN A 135 -16.139 13.072 1.541 1.00 1.31 H new ATOM 0 HB2 ASN A 135 -14.615 12.374 -1.003 1.00 1.32 H new ATOM 0 HB3 ASN A 135 -16.295 11.963 -0.723 1.00 1.32 H new ATOM 0 HD21 ASN A 135 -15.231 15.691 -1.988 1.00 1.46 H new ATOM 0 HD22 ASN A 135 -14.036 14.446 -1.613 1.00 1.46 H new ATOM 726 N GLY A 136 -13.794 10.938 1.855 1.00 1.12 N ATOM 727 CA GLY A 136 -13.486 9.600 2.315 1.00 1.11 C ATOM 728 C GLY A 136 -12.049 9.185 2.073 1.00 0.89 C ATOM 729 O GLY A 136 -11.380 8.713 2.990 1.00 0.86 O ATOM 0 H GLY A 136 -13.009 11.590 1.860 1.00 1.12 H new ATOM 0 HA2 GLY A 136 -13.698 9.535 3.382 1.00 1.11 H new ATOM 0 HA3 GLY A 136 -14.148 8.893 1.815 1.00 1.11 H new ATOM 733 N SER A 137 -11.560 9.356 0.852 1.00 0.77 N ATOM 734 CA SER A 137 -10.217 8.907 0.511 1.00 0.57 C ATOM 735 C SER A 137 -9.700 9.596 -0.744 1.00 0.47 C ATOM 736 O SER A 137 -10.463 9.894 -1.661 1.00 0.53 O ATOM 737 CB SER A 137 -10.194 7.386 0.320 1.00 0.67 C ATOM 738 OG SER A 137 -8.885 6.921 0.030 1.00 1.61 O ATOM 0 H SER A 137 -12.068 9.799 0.087 1.00 0.77 H new ATOM 0 HA SER A 137 -9.560 9.175 1.339 1.00 0.57 H new ATOM 0 HB2 SER A 137 -10.563 6.899 1.222 1.00 0.67 H new ATOM 0 HB3 SER A 137 -10.868 7.109 -0.491 1.00 0.67 H new ATOM 0 HG SER A 137 -8.901 5.948 -0.085 1.00 1.61 H new ATOM 744 N LYS A 138 -8.392 9.844 -0.776 1.00 0.38 N ATOM 745 CA LYS A 138 -7.771 10.491 -1.921 1.00 0.36 C ATOM 746 C LYS A 138 -7.584 9.496 -3.050 1.00 0.34 C ATOM 747 O LYS A 138 -7.299 9.867 -4.189 1.00 0.47 O ATOM 748 CB LYS A 138 -6.420 11.110 -1.549 1.00 0.36 C ATOM 749 CG LYS A 138 -6.476 12.087 -0.379 1.00 0.44 C ATOM 750 CD LYS A 138 -5.206 12.916 -0.261 1.00 0.67 C ATOM 751 CE LYS A 138 -5.015 13.805 -1.481 1.00 0.89 C ATOM 752 NZ LYS A 138 -3.787 14.633 -1.370 1.00 1.51 N ATOM 0 H LYS A 138 -7.747 9.606 -0.023 1.00 0.38 H new ATOM 0 HA LYS A 138 -8.435 11.291 -2.249 1.00 0.36 H new ATOM 0 HB2 LYS A 138 -5.722 10.309 -1.305 1.00 0.36 H new ATOM 0 HB3 LYS A 138 -6.019 11.628 -2.420 1.00 0.36 H new ATOM 0 HG2 LYS A 138 -7.331 12.751 -0.503 1.00 0.44 H new ATOM 0 HG3 LYS A 138 -6.634 11.534 0.547 1.00 0.44 H new ATOM 0 HD2 LYS A 138 -5.252 13.532 0.637 1.00 0.67 H new ATOM 0 HD3 LYS A 138 -4.346 12.255 -0.151 1.00 0.67 H new ATOM 0 HE2 LYS A 138 -4.957 13.186 -2.377 1.00 0.89 H new ATOM 0 HE3 LYS A 138 -5.883 14.454 -1.598 1.00 0.89 H new ATOM 0 HZ1 LYS A 138 -3.817 15.396 -2.076 1.00 1.51 H new ATOM 0 HZ2 LYS A 138 -3.732 15.046 -0.417 1.00 1.51 H new ATOM 0 HZ3 LYS A 138 -2.951 14.038 -1.539 1.00 1.51 H new ATOM 766 N GLY A 139 -7.747 8.230 -2.727 1.00 0.27 N ATOM 767 CA GLY A 139 -7.664 7.204 -3.742 1.00 0.26 C ATOM 768 C GLY A 139 -6.346 6.459 -3.754 1.00 0.21 C ATOM 769 O GLY A 139 -5.974 5.891 -4.775 1.00 0.31 O ATOM 0 H GLY A 139 -7.935 7.891 -1.784 1.00 0.27 H new ATOM 0 HA2 GLY A 139 -8.473 6.489 -3.590 1.00 0.26 H new ATOM 0 HA3 GLY A 139 -7.822 7.660 -4.719 1.00 0.26 H new ATOM 773 N TYR A 140 -5.630 6.455 -2.640 1.00 0.19 N ATOM 774 CA TYR A 140 -4.373 5.721 -2.558 1.00 0.15 C ATOM 775 C TYR A 140 -3.971 5.473 -1.110 1.00 0.13 C ATOM 776 O TYR A 140 -4.361 6.216 -0.204 1.00 0.16 O ATOM 777 CB TYR A 140 -3.253 6.445 -3.319 1.00 0.19 C ATOM 778 CG TYR A 140 -3.064 7.900 -2.953 1.00 0.23 C ATOM 779 CD1 TYR A 140 -3.799 8.894 -3.587 1.00 0.26 C ATOM 780 CD2 TYR A 140 -2.139 8.280 -1.990 1.00 0.31 C ATOM 781 CE1 TYR A 140 -3.616 10.225 -3.270 1.00 0.34 C ATOM 782 CE2 TYR A 140 -1.949 9.609 -1.668 1.00 0.39 C ATOM 783 CZ TYR A 140 -2.690 10.577 -2.312 1.00 0.41 C ATOM 784 OH TYR A 140 -2.505 11.902 -1.992 1.00 0.49 O ATOM 0 H TYR A 140 -5.893 6.947 -1.786 1.00 0.19 H new ATOM 0 HA TYR A 140 -4.529 4.753 -3.034 1.00 0.15 H new ATOM 0 HB2 TYR A 140 -2.316 5.918 -3.143 1.00 0.19 H new ATOM 0 HB3 TYR A 140 -3.460 6.379 -4.387 1.00 0.19 H new ATOM 0 HD1 TYR A 140 -4.524 8.621 -4.339 1.00 0.26 H new ATOM 0 HD2 TYR A 140 -1.558 7.523 -1.484 1.00 0.31 H new ATOM 0 HE1 TYR A 140 -4.196 10.987 -3.770 1.00 0.34 H new ATOM 0 HE2 TYR A 140 -1.225 9.888 -0.917 1.00 0.39 H new ATOM 0 HH TYR A 140 -1.817 11.978 -1.298 1.00 0.49 H new ATOM 794 N GLY A 141 -3.202 4.414 -0.906 1.00 0.11 N ATOM 795 CA GLY A 141 -2.769 4.037 0.422 1.00 0.11 C ATOM 796 C GLY A 141 -1.405 3.383 0.399 1.00 0.10 C ATOM 797 O GLY A 141 -0.858 3.132 -0.673 1.00 0.12 O ATOM 0 H GLY A 141 -2.866 3.801 -1.649 1.00 0.11 H new ATOM 0 HA2 GLY A 141 -2.739 4.920 1.060 1.00 0.11 H new ATOM 0 HA3 GLY A 141 -3.494 3.352 0.861 1.00 0.11 H new ATOM 801 N PHE A 142 -0.853 3.105 1.571 1.00 0.10 N ATOM 802 CA PHE A 142 0.485 2.527 1.676 1.00 0.10 C ATOM 803 C PHE A 142 0.527 1.466 2.778 1.00 0.10 C ATOM 804 O PHE A 142 -0.131 1.617 3.808 1.00 0.14 O ATOM 805 CB PHE A 142 1.514 3.625 1.988 1.00 0.12 C ATOM 806 CG PHE A 142 1.439 4.822 1.075 1.00 0.14 C ATOM 807 CD1 PHE A 142 1.861 4.725 -0.239 1.00 0.16 C ATOM 808 CD2 PHE A 142 0.949 6.044 1.527 1.00 0.21 C ATOM 809 CE1 PHE A 142 1.800 5.814 -1.087 1.00 0.19 C ATOM 810 CE2 PHE A 142 0.887 7.136 0.682 1.00 0.25 C ATOM 811 CZ PHE A 142 1.313 7.021 -0.627 1.00 0.22 C ATOM 0 H PHE A 142 -1.311 3.270 2.468 1.00 0.10 H new ATOM 0 HA PHE A 142 0.730 2.060 0.722 1.00 0.10 H new ATOM 0 HB2 PHE A 142 1.373 3.958 3.016 1.00 0.12 H new ATOM 0 HB3 PHE A 142 2.515 3.197 1.926 1.00 0.12 H new ATOM 0 HD1 PHE A 142 2.244 3.785 -0.607 1.00 0.16 H new ATOM 0 HD2 PHE A 142 0.614 6.140 2.549 1.00 0.21 H new ATOM 0 HE1 PHE A 142 2.133 5.721 -2.110 1.00 0.19 H new ATOM 0 HE2 PHE A 142 0.506 8.079 1.045 1.00 0.25 H new ATOM 0 HZ PHE A 142 1.265 7.873 -1.289 1.00 0.22 H new ATOM 821 N VAL A 143 1.276 0.385 2.554 1.00 0.08 N ATOM 822 CA VAL A 143 1.475 -0.633 3.589 1.00 0.08 C ATOM 823 C VAL A 143 2.945 -0.759 3.968 1.00 0.08 C ATOM 824 O VAL A 143 3.824 -0.797 3.105 1.00 0.09 O ATOM 825 CB VAL A 143 0.986 -2.031 3.148 1.00 0.08 C ATOM 826 CG1 VAL A 143 1.049 -3.031 4.303 1.00 0.07 C ATOM 827 CG2 VAL A 143 -0.418 -1.962 2.588 1.00 0.10 C ATOM 0 H VAL A 143 1.752 0.192 1.673 1.00 0.08 H new ATOM 0 HA VAL A 143 0.886 -0.297 4.442 1.00 0.08 H new ATOM 0 HB VAL A 143 1.655 -2.379 2.361 1.00 0.08 H new ATOM 0 HG11 VAL A 143 0.699 -4.005 3.961 1.00 0.07 H new ATOM 0 HG12 VAL A 143 2.078 -3.118 4.653 1.00 0.07 H new ATOM 0 HG13 VAL A 143 0.416 -2.684 5.120 1.00 0.07 H new ATOM 0 HG21 VAL A 143 -0.738 -2.959 2.285 1.00 0.10 H new ATOM 0 HG22 VAL A 143 -1.096 -1.579 3.351 1.00 0.10 H new ATOM 0 HG23 VAL A 143 -0.433 -1.298 1.724 1.00 0.10 H new ATOM 837 N HIS A 144 3.202 -0.800 5.264 1.00 0.09 N ATOM 838 CA HIS A 144 4.504 -1.184 5.775 1.00 0.10 C ATOM 839 C HIS A 144 4.407 -2.577 6.366 1.00 0.10 C ATOM 840 O HIS A 144 3.830 -2.754 7.439 1.00 0.11 O ATOM 841 CB HIS A 144 4.962 -0.209 6.856 1.00 0.12 C ATOM 842 CG HIS A 144 6.094 0.656 6.433 1.00 0.14 C ATOM 843 ND1 HIS A 144 7.034 1.146 7.307 1.00 0.18 N ATOM 844 CD2 HIS A 144 6.438 1.116 5.216 1.00 0.17 C ATOM 845 CE1 HIS A 144 7.909 1.872 6.647 1.00 0.21 C ATOM 846 NE2 HIS A 144 7.569 1.878 5.377 1.00 0.21 N ATOM 0 H HIS A 144 2.519 -0.570 5.986 1.00 0.09 H new ATOM 0 HA HIS A 144 5.227 -1.168 4.960 1.00 0.10 H new ATOM 0 HB2 HIS A 144 4.121 0.422 7.145 1.00 0.12 H new ATOM 0 HB3 HIS A 144 5.257 -0.773 7.741 1.00 0.12 H new ATOM 0 HD1 HIS A 144 7.050 0.973 8.312 1.00 0.18 H new ATOM 0 HD2 HIS A 144 5.922 0.922 4.287 1.00 0.17 H new ATOM 0 HE1 HIS A 144 8.762 2.377 7.075 1.00 0.21 H new ATOM 855 N PHE A 145 4.956 -3.560 5.679 1.00 0.10 N ATOM 856 CA PHE A 145 4.854 -4.932 6.138 1.00 0.10 C ATOM 857 C PHE A 145 5.993 -5.305 7.058 1.00 0.13 C ATOM 858 O PHE A 145 7.138 -4.898 6.856 1.00 0.17 O ATOM 859 CB PHE A 145 4.790 -5.908 4.967 1.00 0.10 C ATOM 860 CG PHE A 145 3.393 -6.211 4.517 1.00 0.09 C ATOM 861 CD1 PHE A 145 2.560 -6.993 5.298 1.00 0.10 C ATOM 862 CD2 PHE A 145 2.914 -5.722 3.316 1.00 0.09 C ATOM 863 CE1 PHE A 145 1.272 -7.279 4.891 1.00 0.11 C ATOM 864 CE2 PHE A 145 1.628 -6.007 2.903 1.00 0.10 C ATOM 865 CZ PHE A 145 0.807 -6.787 3.691 1.00 0.10 C ATOM 0 H PHE A 145 5.473 -3.437 4.808 1.00 0.10 H new ATOM 0 HA PHE A 145 3.924 -5.003 6.703 1.00 0.10 H new ATOM 0 HB2 PHE A 145 5.352 -5.495 4.129 1.00 0.10 H new ATOM 0 HB3 PHE A 145 5.281 -6.838 5.252 1.00 0.10 H new ATOM 0 HD1 PHE A 145 2.922 -7.384 6.237 1.00 0.10 H new ATOM 0 HD2 PHE A 145 3.552 -5.111 2.695 1.00 0.09 H new ATOM 0 HE1 PHE A 145 0.631 -7.887 5.512 1.00 0.11 H new ATOM 0 HE2 PHE A 145 1.264 -5.619 1.963 1.00 0.10 H new ATOM 0 HZ PHE A 145 -0.199 -7.012 3.368 1.00 0.10 H new ATOM 875 N GLU A 146 5.632 -6.051 8.091 1.00 0.13 N ATOM 876 CA GLU A 146 6.584 -6.602 9.054 1.00 0.17 C ATOM 877 C GLU A 146 7.679 -7.356 8.329 1.00 0.19 C ATOM 878 O GLU A 146 8.871 -7.175 8.577 1.00 0.22 O ATOM 879 CB GLU A 146 5.861 -7.565 9.996 1.00 0.22 C ATOM 880 CG GLU A 146 6.764 -8.250 11.005 1.00 0.30 C ATOM 881 CD GLU A 146 6.001 -9.199 11.900 1.00 0.37 C ATOM 882 OE1 GLU A 146 5.636 -10.302 11.438 1.00 0.57 O ATOM 883 OE2 GLU A 146 5.755 -8.843 13.067 1.00 0.38 O ATOM 0 H GLU A 146 4.662 -6.295 8.290 1.00 0.13 H new ATOM 0 HA GLU A 146 7.022 -5.782 9.623 1.00 0.17 H new ATOM 0 HB2 GLU A 146 5.087 -7.017 10.533 1.00 0.22 H new ATOM 0 HB3 GLU A 146 5.357 -8.327 9.401 1.00 0.22 H new ATOM 0 HG2 GLU A 146 7.545 -8.798 10.478 1.00 0.30 H new ATOM 0 HG3 GLU A 146 7.261 -7.497 11.616 1.00 0.30 H new ATOM 890 N THR A 147 7.241 -8.205 7.430 1.00 0.22 N ATOM 891 CA THR A 147 8.137 -9.036 6.659 1.00 0.26 C ATOM 892 C THR A 147 8.140 -8.625 5.196 1.00 0.23 C ATOM 893 O THR A 147 7.112 -8.224 4.643 1.00 0.21 O ATOM 894 CB THR A 147 7.755 -10.522 6.769 1.00 0.33 C ATOM 895 OG1 THR A 147 6.343 -10.678 6.591 1.00 0.40 O ATOM 896 CG2 THR A 147 8.173 -11.101 8.112 1.00 0.35 C ATOM 0 H THR A 147 6.254 -8.340 7.212 1.00 0.22 H new ATOM 0 HA THR A 147 9.136 -8.897 7.071 1.00 0.26 H new ATOM 0 HB THR A 147 8.283 -11.065 5.985 1.00 0.33 H new ATOM 0 HG1 THR A 147 6.107 -11.627 6.661 1.00 0.40 H new ATOM 0 HG21 THR A 147 7.889 -12.152 8.159 1.00 0.35 H new ATOM 0 HG22 THR A 147 9.253 -11.011 8.227 1.00 0.35 H new ATOM 0 HG23 THR A 147 7.676 -10.555 8.914 1.00 0.35 H new ATOM 904 N GLN A 148 9.305 -8.729 4.583 1.00 0.24 N ATOM 905 CA GLN A 148 9.479 -8.386 3.182 1.00 0.23 C ATOM 906 C GLN A 148 8.618 -9.278 2.288 1.00 0.21 C ATOM 907 O GLN A 148 8.018 -8.808 1.321 1.00 0.21 O ATOM 908 CB GLN A 148 10.952 -8.541 2.801 1.00 0.28 C ATOM 909 CG GLN A 148 11.276 -7.997 1.428 1.00 0.31 C ATOM 910 CD GLN A 148 11.281 -6.485 1.394 1.00 0.34 C ATOM 911 OE1 GLN A 148 11.656 -5.826 2.358 1.00 0.47 O ATOM 912 NE2 GLN A 148 10.826 -5.929 0.297 1.00 0.38 N ATOM 0 H GLN A 148 10.157 -9.053 5.041 1.00 0.24 H new ATOM 0 HA GLN A 148 9.165 -7.353 3.036 1.00 0.23 H new ATOM 0 HB2 GLN A 148 11.567 -8.029 3.541 1.00 0.28 H new ATOM 0 HB3 GLN A 148 11.220 -9.597 2.838 1.00 0.28 H new ATOM 0 HG2 GLN A 148 12.252 -8.368 1.114 1.00 0.31 H new ATOM 0 HG3 GLN A 148 10.546 -8.372 0.710 1.00 0.31 H new ATOM 0 HE21 GLN A 148 10.524 -6.513 -0.483 1.00 0.38 H new ATOM 0 HE22 GLN A 148 10.774 -4.913 0.224 1.00 0.38 H new ATOM 921 N GLU A 149 8.553 -10.561 2.627 1.00 0.22 N ATOM 922 CA GLU A 149 7.846 -11.538 1.807 1.00 0.22 C ATOM 923 C GLU A 149 6.338 -11.288 1.817 1.00 0.18 C ATOM 924 O GLU A 149 5.661 -11.492 0.807 1.00 0.17 O ATOM 925 CB GLU A 149 8.157 -12.961 2.272 1.00 0.28 C ATOM 926 CG GLU A 149 7.415 -13.370 3.521 1.00 0.35 C ATOM 927 CD GLU A 149 7.555 -14.841 3.819 1.00 0.47 C ATOM 928 OE1 GLU A 149 6.963 -15.656 3.085 1.00 0.74 O ATOM 929 OE2 GLU A 149 8.260 -15.191 4.786 1.00 0.62 O ATOM 0 H GLU A 149 8.983 -10.949 3.467 1.00 0.22 H new ATOM 0 HA GLU A 149 8.197 -11.424 0.781 1.00 0.22 H new ATOM 0 HB2 GLU A 149 7.911 -13.657 1.470 1.00 0.28 H new ATOM 0 HB3 GLU A 149 9.228 -13.048 2.452 1.00 0.28 H new ATOM 0 HG2 GLU A 149 7.789 -12.794 4.367 1.00 0.35 H new ATOM 0 HG3 GLU A 149 6.359 -13.124 3.410 1.00 0.35 H new ATOM 936 N ALA A 150 5.814 -10.839 2.955 1.00 0.17 N ATOM 937 CA ALA A 150 4.386 -10.574 3.088 1.00 0.15 C ATOM 938 C ALA A 150 3.960 -9.467 2.139 1.00 0.13 C ATOM 939 O ALA A 150 2.858 -9.487 1.587 1.00 0.13 O ATOM 940 CB ALA A 150 4.048 -10.201 4.519 1.00 0.18 C ATOM 0 H ALA A 150 6.358 -10.651 3.797 1.00 0.17 H new ATOM 0 HA ALA A 150 3.841 -11.482 2.828 1.00 0.15 H new ATOM 0 HB1 ALA A 150 2.979 -10.006 4.601 1.00 0.18 H new ATOM 0 HB2 ALA A 150 4.320 -11.022 5.183 1.00 0.18 H new ATOM 0 HB3 ALA A 150 4.602 -9.306 4.802 1.00 0.18 H new ATOM 946 N ALA A 151 4.855 -8.512 1.943 1.00 0.13 N ATOM 947 CA ALA A 151 4.614 -7.403 1.037 1.00 0.13 C ATOM 948 C ALA A 151 4.470 -7.893 -0.389 1.00 0.12 C ATOM 949 O ALA A 151 3.571 -7.472 -1.114 1.00 0.13 O ATOM 950 CB ALA A 151 5.749 -6.410 1.131 1.00 0.16 C ATOM 0 H ALA A 151 5.764 -8.484 2.405 1.00 0.13 H new ATOM 0 HA ALA A 151 3.683 -6.916 1.326 1.00 0.13 H new ATOM 0 HB1 ALA A 151 5.564 -5.580 0.449 1.00 0.16 H new ATOM 0 HB2 ALA A 151 5.819 -6.033 2.151 1.00 0.16 H new ATOM 0 HB3 ALA A 151 6.684 -6.900 0.860 1.00 0.16 H new ATOM 956 N GLU A 152 5.363 -8.789 -0.780 1.00 0.13 N ATOM 957 CA GLU A 152 5.343 -9.346 -2.120 1.00 0.14 C ATOM 958 C GLU A 152 4.041 -10.105 -2.360 1.00 0.12 C ATOM 959 O GLU A 152 3.476 -10.047 -3.453 1.00 0.15 O ATOM 960 CB GLU A 152 6.557 -10.252 -2.338 1.00 0.18 C ATOM 961 CG GLU A 152 7.889 -9.526 -2.196 1.00 0.26 C ATOM 962 CD GLU A 152 9.066 -10.358 -2.666 1.00 0.75 C ATOM 963 OE1 GLU A 152 9.644 -11.109 -1.850 1.00 1.42 O ATOM 964 OE2 GLU A 152 9.422 -10.263 -3.863 1.00 0.95 O ATOM 0 H GLU A 152 6.111 -9.145 -0.186 1.00 0.13 H new ATOM 0 HA GLU A 152 5.396 -8.530 -2.841 1.00 0.14 H new ATOM 0 HB2 GLU A 152 6.521 -11.073 -1.622 1.00 0.18 H new ATOM 0 HB3 GLU A 152 6.497 -10.694 -3.333 1.00 0.18 H new ATOM 0 HG2 GLU A 152 7.855 -8.599 -2.768 1.00 0.26 H new ATOM 0 HG3 GLU A 152 8.038 -9.251 -1.152 1.00 0.26 H new ATOM 971 N ARG A 153 3.557 -10.794 -1.323 1.00 0.10 N ATOM 972 CA ARG A 153 2.267 -11.474 -1.391 1.00 0.12 C ATOM 973 C ARG A 153 1.141 -10.468 -1.608 1.00 0.11 C ATOM 974 O ARG A 153 0.273 -10.668 -2.449 1.00 0.16 O ATOM 975 CB ARG A 153 1.964 -12.252 -0.111 1.00 0.16 C ATOM 976 CG ARG A 153 3.036 -13.239 0.313 1.00 0.21 C ATOM 977 CD ARG A 153 2.615 -13.967 1.580 1.00 0.26 C ATOM 978 NE ARG A 153 3.673 -14.812 2.129 1.00 0.38 N ATOM 979 CZ ARG A 153 3.461 -15.768 3.036 1.00 0.80 C ATOM 980 NH1 ARG A 153 2.221 -16.085 3.399 1.00 1.48 N ATOM 981 NH2 ARG A 153 4.487 -16.425 3.559 1.00 0.84 N ATOM 0 H ARG A 153 4.040 -10.894 -0.430 1.00 0.10 H new ATOM 0 HA ARG A 153 2.327 -12.169 -2.228 1.00 0.12 H new ATOM 0 HB2 ARG A 153 1.807 -11.540 0.699 1.00 0.16 H new ATOM 0 HB3 ARG A 153 1.027 -12.793 -0.246 1.00 0.16 H new ATOM 0 HG2 ARG A 153 3.213 -13.959 -0.486 1.00 0.21 H new ATOM 0 HG3 ARG A 153 3.976 -12.714 0.483 1.00 0.21 H new ATOM 0 HD2 ARG A 153 2.315 -13.236 2.330 1.00 0.26 H new ATOM 0 HD3 ARG A 153 1.740 -14.581 1.366 1.00 0.26 H new ATOM 0 HE ARG A 153 4.627 -14.663 1.801 1.00 0.38 H new ATOM 0 HH11 ARG A 153 1.427 -15.597 2.984 1.00 1.48 H new ATOM 0 HH12 ARG A 153 2.064 -16.816 4.092 1.00 1.48 H new ATOM 0 HH21 ARG A 153 5.438 -16.200 3.268 1.00 0.84 H new ATOM 0 HH22 ARG A 153 4.325 -17.156 4.252 1.00 0.84 H new ATOM 995 N ALA A 154 1.163 -9.390 -0.827 1.00 0.09 N ATOM 996 CA ALA A 154 0.130 -8.362 -0.908 1.00 0.09 C ATOM 997 C ALA A 154 0.060 -7.767 -2.309 1.00 0.09 C ATOM 998 O ALA A 154 -1.026 -7.512 -2.829 1.00 0.10 O ATOM 999 CB ALA A 154 0.382 -7.267 0.119 1.00 0.10 C ATOM 0 H ALA A 154 1.886 -9.207 -0.131 1.00 0.09 H new ATOM 0 HA ALA A 154 -0.829 -8.832 -0.689 1.00 0.09 H new ATOM 0 HB1 ALA A 154 -0.399 -6.510 0.043 1.00 0.10 H new ATOM 0 HB2 ALA A 154 0.373 -7.698 1.120 1.00 0.10 H new ATOM 0 HB3 ALA A 154 1.352 -6.808 -0.070 1.00 0.10 H new ATOM 1005 N ILE A 155 1.221 -7.562 -2.918 1.00 0.09 N ATOM 1006 CA ILE A 155 1.289 -7.016 -4.265 1.00 0.10 C ATOM 1007 C ILE A 155 0.587 -7.931 -5.266 1.00 0.11 C ATOM 1008 O ILE A 155 -0.295 -7.495 -5.997 1.00 0.14 O ATOM 1009 CB ILE A 155 2.750 -6.794 -4.710 1.00 0.11 C ATOM 1010 CG1 ILE A 155 3.427 -5.780 -3.789 1.00 0.12 C ATOM 1011 CG2 ILE A 155 2.808 -6.322 -6.157 1.00 0.14 C ATOM 1012 CD1 ILE A 155 4.897 -5.585 -4.079 1.00 0.15 C ATOM 0 H ILE A 155 2.128 -7.766 -2.499 1.00 0.09 H new ATOM 0 HA ILE A 155 0.779 -6.053 -4.244 1.00 0.10 H new ATOM 0 HB ILE A 155 3.282 -7.743 -4.643 1.00 0.11 H new ATOM 0 HG12 ILE A 155 2.917 -4.821 -3.881 1.00 0.12 H new ATOM 0 HG13 ILE A 155 3.309 -6.106 -2.755 1.00 0.12 H new ATOM 0 HG21 ILE A 155 3.847 -6.172 -6.449 1.00 0.14 H new ATOM 0 HG22 ILE A 155 2.354 -7.073 -6.803 1.00 0.14 H new ATOM 0 HG23 ILE A 155 2.264 -5.383 -6.255 1.00 0.14 H new ATOM 0 HD11 ILE A 155 5.310 -4.852 -3.386 1.00 0.15 H new ATOM 0 HD12 ILE A 155 5.421 -6.533 -3.958 1.00 0.15 H new ATOM 0 HD13 ILE A 155 5.022 -5.229 -5.102 1.00 0.15 H new ATOM 1024 N GLU A 156 0.971 -9.199 -5.290 1.00 0.11 N ATOM 1025 CA GLU A 156 0.366 -10.150 -6.211 1.00 0.13 C ATOM 1026 C GLU A 156 -1.110 -10.369 -5.913 1.00 0.12 C ATOM 1027 O GLU A 156 -1.946 -10.383 -6.814 1.00 0.15 O ATOM 1028 CB GLU A 156 1.092 -11.502 -6.203 1.00 0.17 C ATOM 1029 CG GLU A 156 1.527 -12.000 -4.833 1.00 0.21 C ATOM 1030 CD GLU A 156 2.021 -13.427 -4.875 1.00 0.62 C ATOM 1031 OE1 GLU A 156 1.199 -14.343 -5.074 1.00 1.08 O ATOM 1032 OE2 GLU A 156 3.242 -13.642 -4.735 1.00 0.63 O ATOM 0 H GLU A 156 1.694 -9.591 -4.687 1.00 0.11 H new ATOM 0 HA GLU A 156 0.463 -9.708 -7.203 1.00 0.13 H new ATOM 0 HB2 GLU A 156 0.438 -12.249 -6.652 1.00 0.17 H new ATOM 0 HB3 GLU A 156 1.973 -11.426 -6.840 1.00 0.17 H new ATOM 0 HG2 GLU A 156 2.317 -11.355 -4.448 1.00 0.21 H new ATOM 0 HG3 GLU A 156 0.689 -11.927 -4.139 1.00 0.21 H new ATOM 1039 N LYS A 157 -1.412 -10.537 -4.645 1.00 0.09 N ATOM 1040 CA LYS A 157 -2.732 -10.953 -4.217 1.00 0.10 C ATOM 1041 C LYS A 157 -3.766 -9.827 -4.296 1.00 0.08 C ATOM 1042 O LYS A 157 -4.910 -10.062 -4.680 1.00 0.10 O ATOM 1043 CB LYS A 157 -2.653 -11.491 -2.789 1.00 0.12 C ATOM 1044 CG LYS A 157 -3.386 -12.809 -2.593 1.00 0.17 C ATOM 1045 CD LYS A 157 -4.882 -12.690 -2.878 1.00 0.21 C ATOM 1046 CE LYS A 157 -5.680 -12.302 -1.637 1.00 0.29 C ATOM 1047 NZ LYS A 157 -7.145 -12.411 -1.853 1.00 1.16 N ATOM 0 H LYS A 157 -0.752 -10.390 -3.881 1.00 0.09 H new ATOM 0 HA LYS A 157 -3.066 -11.733 -4.901 1.00 0.10 H new ATOM 0 HB2 LYS A 157 -1.606 -11.623 -2.517 1.00 0.12 H new ATOM 0 HB3 LYS A 157 -3.068 -10.749 -2.107 1.00 0.12 H new ATOM 0 HG2 LYS A 157 -2.953 -13.564 -3.249 1.00 0.17 H new ATOM 0 HG3 LYS A 157 -3.240 -13.154 -1.570 1.00 0.17 H new ATOM 0 HD2 LYS A 157 -5.043 -11.945 -3.658 1.00 0.21 H new ATOM 0 HD3 LYS A 157 -5.253 -13.640 -3.263 1.00 0.21 H new ATOM 0 HE2 LYS A 157 -5.389 -12.943 -0.805 1.00 0.29 H new ATOM 0 HE3 LYS A 157 -5.432 -11.279 -1.353 1.00 0.29 H new ATOM 0 HZ1 LYS A 157 -7.645 -12.138 -0.983 1.00 1.16 H new ATOM 0 HZ2 LYS A 157 -7.429 -11.780 -2.629 1.00 1.16 H new ATOM 0 HZ3 LYS A 157 -7.388 -13.392 -2.098 1.00 1.16 H new ATOM 1061 N MET A 158 -3.371 -8.613 -3.948 1.00 0.07 N ATOM 1062 CA MET A 158 -4.330 -7.513 -3.857 1.00 0.08 C ATOM 1063 C MET A 158 -4.426 -6.706 -5.137 1.00 0.09 C ATOM 1064 O MET A 158 -5.459 -6.090 -5.404 1.00 0.13 O ATOM 1065 CB MET A 158 -3.994 -6.579 -2.695 1.00 0.09 C ATOM 1066 CG MET A 158 -4.156 -7.229 -1.338 1.00 0.10 C ATOM 1067 SD MET A 158 -5.792 -7.952 -1.116 1.00 0.35 S ATOM 1068 CE MET A 158 -6.830 -6.536 -1.463 1.00 0.18 C ATOM 0 H MET A 158 -2.408 -8.362 -3.726 1.00 0.07 H new ATOM 0 HA MET A 158 -5.299 -7.980 -3.683 1.00 0.08 H new ATOM 0 HB2 MET A 158 -2.967 -6.231 -2.803 1.00 0.09 H new ATOM 0 HB3 MET A 158 -4.636 -5.699 -2.748 1.00 0.09 H new ATOM 0 HG2 MET A 158 -3.399 -8.004 -1.216 1.00 0.10 H new ATOM 0 HG3 MET A 158 -3.980 -6.487 -0.559 1.00 0.10 H new ATOM 0 HE1 MET A 158 -7.873 -6.796 -1.281 1.00 0.18 H new ATOM 0 HE2 MET A 158 -6.544 -5.708 -0.815 1.00 0.18 H new ATOM 0 HE3 MET A 158 -6.706 -6.241 -2.505 1.00 0.18 H new ATOM 1078 N ASN A 159 -3.364 -6.694 -5.925 1.00 0.09 N ATOM 1079 CA ASN A 159 -3.357 -5.901 -7.144 1.00 0.10 C ATOM 1080 C ASN A 159 -4.399 -6.433 -8.123 1.00 0.13 C ATOM 1081 O ASN A 159 -4.376 -7.609 -8.483 1.00 0.16 O ATOM 1082 CB ASN A 159 -1.973 -5.929 -7.793 1.00 0.14 C ATOM 1083 CG ASN A 159 -1.876 -5.021 -9.007 1.00 0.16 C ATOM 1084 OD1 ASN A 159 -2.634 -4.062 -9.140 1.00 0.44 O ATOM 1085 ND2 ASN A 159 -0.919 -5.293 -9.883 1.00 0.38 N ATOM 0 H ASN A 159 -2.506 -7.216 -5.747 1.00 0.09 H new ATOM 0 HA ASN A 159 -3.602 -4.871 -6.887 1.00 0.10 H new ATOM 0 HB2 ASN A 159 -1.226 -5.628 -7.059 1.00 0.14 H new ATOM 0 HB3 ASN A 159 -1.736 -6.951 -8.089 1.00 0.14 H new ATOM 0 HD21 ASN A 159 -0.792 -4.697 -10.701 1.00 0.38 H new ATOM 0 HD22 ASN A 159 -0.309 -6.098 -9.739 1.00 0.38 H new ATOM 1092 N GLY A 160 -5.309 -5.568 -8.546 1.00 0.14 N ATOM 1093 CA GLY A 160 -6.318 -5.963 -9.508 1.00 0.19 C ATOM 1094 C GLY A 160 -7.581 -6.495 -8.863 1.00 0.22 C ATOM 1095 O GLY A 160 -8.439 -7.061 -9.541 1.00 0.29 O ATOM 0 H GLY A 160 -5.367 -4.597 -8.239 1.00 0.14 H new ATOM 0 HA2 GLY A 160 -6.570 -5.106 -10.133 1.00 0.19 H new ATOM 0 HA3 GLY A 160 -5.904 -6.727 -10.166 1.00 0.19 H new ATOM 1099 N MET A 161 -7.708 -6.316 -7.558 1.00 0.22 N ATOM 1100 CA MET A 161 -8.885 -6.769 -6.845 1.00 0.27 C ATOM 1101 C MET A 161 -9.791 -5.610 -6.474 1.00 0.24 C ATOM 1102 O MET A 161 -9.368 -4.461 -6.477 1.00 0.23 O ATOM 1103 CB MET A 161 -8.479 -7.501 -5.587 1.00 0.32 C ATOM 1104 CG MET A 161 -7.678 -8.773 -5.832 1.00 0.68 C ATOM 1105 SD MET A 161 -8.337 -9.792 -7.173 1.00 1.18 S ATOM 1106 CE MET A 161 -9.980 -10.157 -6.565 1.00 1.04 C ATOM 0 H MET A 161 -7.008 -5.859 -6.973 1.00 0.22 H new ATOM 0 HA MET A 161 -9.433 -7.439 -7.507 1.00 0.27 H new ATOM 0 HB2 MET A 161 -7.889 -6.829 -4.964 1.00 0.32 H new ATOM 0 HB3 MET A 161 -9.376 -7.754 -5.022 1.00 0.32 H new ATOM 0 HG2 MET A 161 -6.647 -8.505 -6.063 1.00 0.68 H new ATOM 0 HG3 MET A 161 -7.657 -9.362 -4.915 1.00 0.68 H new ATOM 0 HE1 MET A 161 -10.474 -10.851 -7.245 1.00 1.04 H new ATOM 0 HE2 MET A 161 -9.910 -10.607 -5.575 1.00 1.04 H new ATOM 0 HE3 MET A 161 -10.559 -9.235 -6.504 1.00 1.04 H new ATOM 1116 N LEU A 162 -11.025 -5.931 -6.117 1.00 0.26 N ATOM 1117 CA LEU A 162 -11.990 -4.931 -5.716 1.00 0.26 C ATOM 1118 C LEU A 162 -12.000 -4.837 -4.216 1.00 0.28 C ATOM 1119 O LEU A 162 -12.206 -5.836 -3.524 1.00 0.44 O ATOM 1120 CB LEU A 162 -13.410 -5.276 -6.179 1.00 0.31 C ATOM 1121 CG LEU A 162 -13.748 -4.987 -7.639 1.00 0.34 C ATOM 1122 CD1 LEU A 162 -15.206 -5.297 -7.897 1.00 0.42 C ATOM 1123 CD2 LEU A 162 -13.485 -3.538 -7.973 1.00 0.34 C ATOM 0 H LEU A 162 -11.380 -6.887 -6.098 1.00 0.26 H new ATOM 0 HA LEU A 162 -11.697 -3.988 -6.178 1.00 0.26 H new ATOM 0 HB2 LEU A 162 -13.579 -6.337 -5.995 1.00 0.31 H new ATOM 0 HB3 LEU A 162 -14.114 -4.728 -5.553 1.00 0.31 H new ATOM 0 HG LEU A 162 -13.116 -5.615 -8.267 1.00 0.34 H new ATOM 0 HD11 LEU A 162 -15.443 -5.089 -8.940 1.00 0.42 H new ATOM 0 HD12 LEU A 162 -15.398 -6.349 -7.684 1.00 0.42 H new ATOM 0 HD13 LEU A 162 -15.829 -4.677 -7.253 1.00 0.42 H new ATOM 0 HD21 LEU A 162 -13.733 -3.355 -9.019 1.00 0.34 H new ATOM 0 HD22 LEU A 162 -14.100 -2.901 -7.337 1.00 0.34 H new ATOM 0 HD23 LEU A 162 -12.432 -3.311 -7.805 1.00 0.34 H new ATOM 1135 N LEU A 163 -11.759 -3.662 -3.705 1.00 0.25 N ATOM 1136 CA LEU A 163 -11.916 -3.449 -2.298 1.00 0.33 C ATOM 1137 C LEU A 163 -13.169 -2.632 -2.042 1.00 0.45 C ATOM 1138 O LEU A 163 -13.185 -1.418 -2.257 1.00 1.02 O ATOM 1139 CB LEU A 163 -10.685 -2.782 -1.688 1.00 0.29 C ATOM 1140 CG LEU A 163 -9.527 -3.732 -1.392 1.00 0.31 C ATOM 1141 CD1 LEU A 163 -8.332 -2.968 -0.849 1.00 0.31 C ATOM 1142 CD2 LEU A 163 -9.966 -4.802 -0.404 1.00 0.34 C ATOM 0 H LEU A 163 -11.456 -2.846 -4.237 1.00 0.25 H new ATOM 0 HA LEU A 163 -12.022 -4.419 -1.811 1.00 0.33 H new ATOM 0 HB2 LEU A 163 -10.335 -2.005 -2.367 1.00 0.29 H new ATOM 0 HB3 LEU A 163 -10.978 -2.288 -0.762 1.00 0.29 H new ATOM 0 HG LEU A 163 -9.229 -4.215 -2.323 1.00 0.31 H new ATOM 0 HD11 LEU A 163 -7.518 -3.663 -0.645 1.00 0.31 H new ATOM 0 HD12 LEU A 163 -8.005 -2.233 -1.585 1.00 0.31 H new ATOM 0 HD13 LEU A 163 -8.614 -2.459 0.072 1.00 0.31 H new ATOM 0 HD21 LEU A 163 -9.132 -5.474 -0.201 1.00 0.34 H new ATOM 0 HD22 LEU A 163 -10.287 -4.330 0.525 1.00 0.34 H new ATOM 0 HD23 LEU A 163 -10.794 -5.370 -0.827 1.00 0.34 H new ATOM 1154 N ASN A 164 -14.228 -3.338 -1.657 1.00 0.41 N ATOM 1155 CA ASN A 164 -15.524 -2.743 -1.318 1.00 0.42 C ATOM 1156 C ASN A 164 -16.329 -2.352 -2.545 1.00 0.45 C ATOM 1157 O ASN A 164 -17.561 -2.389 -2.523 1.00 0.72 O ATOM 1158 CB ASN A 164 -15.368 -1.542 -0.381 1.00 0.49 C ATOM 1159 CG ASN A 164 -15.046 -1.951 1.041 1.00 1.06 C ATOM 1160 OD1 ASN A 164 -15.237 -3.105 1.430 1.00 1.71 O ATOM 1161 ND2 ASN A 164 -14.596 -1.001 1.844 1.00 1.07 N ATOM 0 H ASN A 164 -14.213 -4.354 -1.569 1.00 0.41 H new ATOM 0 HA ASN A 164 -16.081 -3.520 -0.796 1.00 0.42 H new ATOM 0 HB2 ASN A 164 -14.577 -0.893 -0.757 1.00 0.49 H new ATOM 0 HB3 ASN A 164 -16.289 -0.959 -0.388 1.00 0.49 H new ATOM 0 HD21 ASN A 164 -14.395 -1.212 2.821 1.00 1.07 H new ATOM 0 HD22 ASN A 164 -14.450 -0.057 1.486 1.00 1.07 H new ATOM 1168 N ASP A 165 -15.627 -2.031 -3.612 1.00 0.42 N ATOM 1169 CA ASP A 165 -16.247 -1.515 -4.836 1.00 0.44 C ATOM 1170 C ASP A 165 -15.209 -1.092 -5.876 1.00 0.43 C ATOM 1171 O ASP A 165 -15.491 -1.073 -7.073 1.00 0.65 O ATOM 1172 CB ASP A 165 -17.154 -0.320 -4.508 1.00 0.55 C ATOM 1173 CG ASP A 165 -17.842 0.267 -5.726 1.00 0.71 C ATOM 1174 OD1 ASP A 165 -18.686 -0.429 -6.330 1.00 0.82 O ATOM 1175 OD2 ASP A 165 -17.551 1.432 -6.075 1.00 0.85 O ATOM 0 H ASP A 165 -14.612 -2.117 -3.665 1.00 0.42 H new ATOM 0 HA ASP A 165 -16.837 -2.327 -5.261 1.00 0.44 H new ATOM 0 HB2 ASP A 165 -17.910 -0.634 -3.789 1.00 0.55 H new ATOM 0 HB3 ASP A 165 -16.559 0.456 -4.026 1.00 0.55 H new ATOM 1180 N ARG A 166 -14.007 -0.775 -5.424 1.00 0.32 N ATOM 1181 CA ARG A 166 -12.989 -0.217 -6.303 1.00 0.27 C ATOM 1182 C ARG A 166 -11.795 -1.144 -6.434 1.00 0.24 C ATOM 1183 O ARG A 166 -11.307 -1.691 -5.445 1.00 0.24 O ATOM 1184 CB ARG A 166 -12.527 1.147 -5.799 1.00 0.24 C ATOM 1185 CG ARG A 166 -13.548 2.248 -6.003 1.00 0.27 C ATOM 1186 CD ARG A 166 -12.958 3.602 -5.675 1.00 0.27 C ATOM 1187 NE ARG A 166 -13.874 4.693 -5.988 1.00 0.42 N ATOM 1188 CZ ARG A 166 -13.653 5.963 -5.671 1.00 0.58 C ATOM 1189 NH1 ARG A 166 -12.577 6.298 -4.966 1.00 0.96 N ATOM 1190 NH2 ARG A 166 -14.518 6.892 -6.052 1.00 0.70 N ATOM 0 H ARG A 166 -13.711 -0.894 -4.455 1.00 0.32 H new ATOM 0 HA ARG A 166 -13.443 -0.101 -7.287 1.00 0.27 H new ATOM 0 HB2 ARG A 166 -12.293 1.072 -4.737 1.00 0.24 H new ATOM 0 HB3 ARG A 166 -11.604 1.420 -6.310 1.00 0.24 H new ATOM 0 HG2 ARG A 166 -13.896 2.239 -7.036 1.00 0.27 H new ATOM 0 HG3 ARG A 166 -14.418 2.064 -5.372 1.00 0.27 H new ATOM 0 HD2 ARG A 166 -12.702 3.638 -4.616 1.00 0.27 H new ATOM 0 HD3 ARG A 166 -12.031 3.737 -6.232 1.00 0.27 H new ATOM 0 HE ARG A 166 -14.738 4.466 -6.481 1.00 0.42 H new ATOM 0 HH11 ARG A 166 -11.919 5.578 -4.667 1.00 0.96 H new ATOM 0 HH12 ARG A 166 -12.410 7.275 -4.724 1.00 0.96 H new ATOM 0 HH21 ARG A 166 -15.347 6.629 -6.585 1.00 0.70 H new ATOM 0 HH22 ARG A 166 -14.355 7.870 -5.812 1.00 0.70 H new ATOM 1204 N LYS A 167 -11.343 -1.316 -7.663 1.00 0.22 N ATOM 1205 CA LYS A 167 -10.208 -2.170 -7.965 1.00 0.20 C ATOM 1206 C LYS A 167 -8.927 -1.448 -7.589 1.00 0.17 C ATOM 1207 O LYS A 167 -8.668 -0.347 -8.066 1.00 0.22 O ATOM 1208 CB LYS A 167 -10.208 -2.521 -9.457 1.00 0.23 C ATOM 1209 CG LYS A 167 -9.296 -3.685 -9.818 1.00 0.40 C ATOM 1210 CD LYS A 167 -9.555 -4.194 -11.230 1.00 0.47 C ATOM 1211 CE LYS A 167 -10.550 -5.354 -11.249 1.00 0.53 C ATOM 1212 NZ LYS A 167 -10.795 -5.853 -12.627 1.00 1.00 N ATOM 0 H LYS A 167 -11.753 -0.867 -8.482 1.00 0.22 H new ATOM 0 HA LYS A 167 -10.277 -3.094 -7.392 1.00 0.20 H new ATOM 0 HB2 LYS A 167 -11.226 -2.762 -9.763 1.00 0.23 H new ATOM 0 HB3 LYS A 167 -9.903 -1.643 -10.027 1.00 0.23 H new ATOM 0 HG2 LYS A 167 -8.256 -3.372 -9.730 1.00 0.40 H new ATOM 0 HG3 LYS A 167 -9.445 -4.497 -9.106 1.00 0.40 H new ATOM 0 HD2 LYS A 167 -9.937 -3.379 -11.844 1.00 0.47 H new ATOM 0 HD3 LYS A 167 -8.615 -4.516 -11.677 1.00 0.47 H new ATOM 0 HE2 LYS A 167 -10.171 -6.168 -10.631 1.00 0.53 H new ATOM 0 HE3 LYS A 167 -11.493 -5.031 -10.807 1.00 0.53 H new ATOM 0 HZ1 LYS A 167 -11.475 -6.639 -12.596 1.00 1.00 H new ATOM 0 HZ2 LYS A 167 -11.181 -5.084 -13.211 1.00 1.00 H new ATOM 0 HZ3 LYS A 167 -9.900 -6.186 -13.040 1.00 1.00 H new ATOM 1226 N VAL A 168 -8.128 -2.066 -6.745 1.00 0.13 N ATOM 1227 CA VAL A 168 -6.939 -1.417 -6.233 1.00 0.12 C ATOM 1228 C VAL A 168 -5.686 -1.928 -6.920 1.00 0.11 C ATOM 1229 O VAL A 168 -5.600 -3.092 -7.318 1.00 0.13 O ATOM 1230 CB VAL A 168 -6.788 -1.603 -4.711 1.00 0.13 C ATOM 1231 CG1 VAL A 168 -7.893 -0.872 -3.972 1.00 0.17 C ATOM 1232 CG2 VAL A 168 -6.776 -3.079 -4.338 1.00 0.13 C ATOM 0 H VAL A 168 -8.279 -3.014 -6.400 1.00 0.13 H new ATOM 0 HA VAL A 168 -7.059 -0.355 -6.446 1.00 0.12 H new ATOM 0 HB VAL A 168 -5.831 -1.174 -4.412 1.00 0.13 H new ATOM 0 HG11 VAL A 168 -7.769 -1.015 -2.899 1.00 0.17 H new ATOM 0 HG12 VAL A 168 -7.844 0.192 -4.204 1.00 0.17 H new ATOM 0 HG13 VAL A 168 -8.861 -1.267 -4.282 1.00 0.17 H new ATOM 0 HG21 VAL A 168 -6.668 -3.181 -3.258 1.00 0.13 H new ATOM 0 HG22 VAL A 168 -7.711 -3.542 -4.655 1.00 0.13 H new ATOM 0 HG23 VAL A 168 -5.940 -3.573 -4.834 1.00 0.13 H new ATOM 1242 N PHE A 169 -4.731 -1.035 -7.072 1.00 0.11 N ATOM 1243 CA PHE A 169 -3.450 -1.374 -7.646 1.00 0.12 C ATOM 1244 C PHE A 169 -2.399 -1.382 -6.548 1.00 0.10 C ATOM 1245 O PHE A 169 -2.172 -0.365 -5.902 1.00 0.12 O ATOM 1246 CB PHE A 169 -3.091 -0.358 -8.738 1.00 0.18 C ATOM 1247 CG PHE A 169 -1.726 -0.548 -9.333 1.00 0.14 C ATOM 1248 CD1 PHE A 169 -1.528 -1.419 -10.390 1.00 0.25 C ATOM 1249 CD2 PHE A 169 -0.640 0.151 -8.832 1.00 0.18 C ATOM 1250 CE1 PHE A 169 -0.271 -1.593 -10.935 1.00 0.30 C ATOM 1251 CE2 PHE A 169 0.618 -0.019 -9.372 1.00 0.23 C ATOM 1252 CZ PHE A 169 0.803 -0.892 -10.425 1.00 0.26 C ATOM 0 H PHE A 169 -4.822 -0.056 -6.801 1.00 0.11 H new ATOM 0 HA PHE A 169 -3.493 -2.364 -8.099 1.00 0.12 H new ATOM 0 HB2 PHE A 169 -3.833 -0.420 -9.534 1.00 0.18 H new ATOM 0 HB3 PHE A 169 -3.156 0.646 -8.319 1.00 0.18 H new ATOM 0 HD1 PHE A 169 -2.366 -1.969 -10.793 1.00 0.25 H new ATOM 0 HD2 PHE A 169 -0.780 0.837 -8.009 1.00 0.18 H new ATOM 0 HE1 PHE A 169 -0.129 -2.277 -11.759 1.00 0.30 H new ATOM 0 HE2 PHE A 169 1.457 0.530 -8.971 1.00 0.23 H new ATOM 0 HZ PHE A 169 1.787 -1.026 -10.849 1.00 0.26 H new ATOM 1262 N VAL A 170 -1.770 -2.522 -6.331 1.00 0.09 N ATOM 1263 CA VAL A 170 -0.741 -2.631 -5.310 1.00 0.10 C ATOM 1264 C VAL A 170 0.598 -2.917 -5.969 1.00 0.11 C ATOM 1265 O VAL A 170 0.713 -3.829 -6.788 1.00 0.13 O ATOM 1266 CB VAL A 170 -1.039 -3.750 -4.276 1.00 0.10 C ATOM 1267 CG1 VAL A 170 0.007 -3.761 -3.172 1.00 0.11 C ATOM 1268 CG2 VAL A 170 -2.430 -3.607 -3.679 1.00 0.09 C ATOM 0 H VAL A 170 -1.952 -3.384 -6.845 1.00 0.09 H new ATOM 0 HA VAL A 170 -0.720 -1.682 -4.775 1.00 0.10 H new ATOM 0 HB VAL A 170 -0.998 -4.700 -4.808 1.00 0.10 H new ATOM 0 HG11 VAL A 170 -0.224 -4.554 -2.460 1.00 0.11 H new ATOM 0 HG12 VAL A 170 0.991 -3.938 -3.605 1.00 0.11 H new ATOM 0 HG13 VAL A 170 0.004 -2.800 -2.658 1.00 0.11 H new ATOM 0 HG21 VAL A 170 -2.602 -4.408 -2.960 1.00 0.09 H new ATOM 0 HG22 VAL A 170 -2.513 -2.644 -3.176 1.00 0.09 H new ATOM 0 HG23 VAL A 170 -3.175 -3.666 -4.473 1.00 0.09 H new ATOM 1278 N GLY A 171 1.597 -2.121 -5.634 1.00 0.12 N ATOM 1279 CA GLY A 171 2.903 -2.304 -6.219 1.00 0.14 C ATOM 1280 C GLY A 171 4.021 -1.910 -5.284 1.00 0.14 C ATOM 1281 O GLY A 171 3.778 -1.520 -4.140 1.00 0.18 O ATOM 0 H GLY A 171 1.527 -1.352 -4.968 1.00 0.12 H new ATOM 0 HA2 GLY A 171 3.025 -3.349 -6.505 1.00 0.14 H new ATOM 0 HA3 GLY A 171 2.973 -1.713 -7.132 1.00 0.14 H new ATOM 1285 N ARG A 172 5.246 -2.003 -5.776 1.00 0.18 N ATOM 1286 CA ARG A 172 6.424 -1.717 -4.972 1.00 0.19 C ATOM 1287 C ARG A 172 6.563 -0.223 -4.731 1.00 0.22 C ATOM 1288 O ARG A 172 6.443 0.581 -5.657 1.00 0.36 O ATOM 1289 CB ARG A 172 7.673 -2.274 -5.656 1.00 0.23 C ATOM 1290 CG ARG A 172 7.654 -3.789 -5.785 1.00 0.32 C ATOM 1291 CD ARG A 172 8.276 -4.488 -4.576 1.00 0.39 C ATOM 1292 NE ARG A 172 8.126 -3.741 -3.325 1.00 1.03 N ATOM 1293 CZ ARG A 172 9.097 -3.637 -2.415 1.00 1.26 C ATOM 1294 NH1 ARG A 172 10.237 -4.288 -2.589 1.00 1.34 N ATOM 1295 NH2 ARG A 172 8.923 -2.906 -1.324 1.00 1.93 N ATOM 0 H ARG A 172 5.451 -2.277 -6.737 1.00 0.18 H new ATOM 0 HA ARG A 172 6.311 -2.203 -4.003 1.00 0.19 H new ATOM 0 HB2 ARG A 172 7.765 -1.832 -6.648 1.00 0.23 H new ATOM 0 HB3 ARG A 172 8.555 -1.974 -5.090 1.00 0.23 H new ATOM 0 HG2 ARG A 172 6.625 -4.127 -5.906 1.00 0.32 H new ATOM 0 HG3 ARG A 172 8.193 -4.080 -6.686 1.00 0.32 H new ATOM 0 HD2 ARG A 172 7.818 -5.470 -4.460 1.00 0.39 H new ATOM 0 HD3 ARG A 172 9.337 -4.651 -4.767 1.00 0.39 H new ATOM 0 HE ARG A 172 7.236 -3.278 -3.140 1.00 1.03 H new ATOM 0 HH11 ARG A 172 10.372 -4.868 -3.417 1.00 1.34 H new ATOM 0 HH12 ARG A 172 10.980 -4.210 -1.895 1.00 1.34 H new ATOM 0 HH21 ARG A 172 8.041 -2.416 -1.173 1.00 1.93 H new ATOM 0 HH22 ARG A 172 9.671 -2.833 -0.634 1.00 1.93 H new ATOM 1309 N PHE A 173 6.823 0.135 -3.484 1.00 0.23 N ATOM 1310 CA PHE A 173 6.888 1.532 -3.084 1.00 0.29 C ATOM 1311 C PHE A 173 8.219 2.134 -3.505 1.00 0.80 C ATOM 1312 O PHE A 173 9.207 2.048 -2.780 1.00 1.44 O ATOM 1313 CB PHE A 173 6.702 1.651 -1.564 1.00 0.48 C ATOM 1314 CG PHE A 173 6.512 3.056 -1.053 1.00 0.42 C ATOM 1315 CD1 PHE A 173 7.577 3.943 -0.982 1.00 0.72 C ATOM 1316 CD2 PHE A 173 5.266 3.483 -0.628 1.00 0.35 C ATOM 1317 CE1 PHE A 173 7.400 5.226 -0.501 1.00 0.71 C ATOM 1318 CE2 PHE A 173 5.085 4.762 -0.144 1.00 0.37 C ATOM 1319 CZ PHE A 173 6.152 5.635 -0.080 1.00 0.42 C ATOM 0 H PHE A 173 6.993 -0.527 -2.727 1.00 0.23 H new ATOM 0 HA PHE A 173 6.087 2.082 -3.578 1.00 0.29 H new ATOM 0 HB2 PHE A 173 5.838 1.054 -1.271 1.00 0.48 H new ATOM 0 HB3 PHE A 173 7.572 1.216 -1.072 1.00 0.48 H new ATOM 0 HD1 PHE A 173 8.557 3.626 -1.307 1.00 0.72 H new ATOM 0 HD2 PHE A 173 4.425 2.807 -0.676 1.00 0.35 H new ATOM 0 HE1 PHE A 173 8.237 5.907 -0.455 1.00 0.71 H new ATOM 0 HE2 PHE A 173 4.107 5.081 0.185 1.00 0.37 H new ATOM 0 HZ PHE A 173 6.010 6.636 0.299 1.00 0.42 H new ATOM 1329 N LYS A 174 8.253 2.703 -4.695 1.00 1.17 N ATOM 1330 CA LYS A 174 9.441 3.390 -5.163 1.00 1.67 C ATOM 1331 C LYS A 174 9.329 4.863 -4.803 1.00 1.86 C ATOM 1332 O LYS A 174 8.670 5.636 -5.499 1.00 2.43 O ATOM 1333 CB LYS A 174 9.612 3.197 -6.676 1.00 2.20 C ATOM 1334 CG LYS A 174 10.893 3.786 -7.255 1.00 2.69 C ATOM 1335 CD LYS A 174 11.052 3.397 -8.715 1.00 3.30 C ATOM 1336 CE LYS A 174 12.351 3.924 -9.314 1.00 4.16 C ATOM 1337 NZ LYS A 174 12.362 5.406 -9.413 1.00 4.66 N ATOM 0 H LYS A 174 7.474 2.703 -5.353 1.00 1.17 H new ATOM 0 HA LYS A 174 10.325 2.972 -4.681 1.00 1.67 H new ATOM 0 HB2 LYS A 174 9.587 2.130 -6.897 1.00 2.20 H new ATOM 0 HB3 LYS A 174 8.759 3.648 -7.184 1.00 2.20 H new ATOM 0 HG2 LYS A 174 10.874 4.872 -7.163 1.00 2.69 H new ATOM 0 HG3 LYS A 174 11.752 3.433 -6.684 1.00 2.69 H new ATOM 0 HD2 LYS A 174 11.027 2.311 -8.804 1.00 3.30 H new ATOM 0 HD3 LYS A 174 10.208 3.783 -9.286 1.00 3.30 H new ATOM 0 HE2 LYS A 174 13.191 3.596 -8.702 1.00 4.16 H new ATOM 0 HE3 LYS A 174 12.493 3.494 -10.306 1.00 4.16 H new ATOM 0 HZ1 LYS A 174 13.064 5.701 -10.121 1.00 4.66 H new ATOM 0 HZ2 LYS A 174 11.420 5.742 -9.698 1.00 4.66 H new ATOM 0 HZ3 LYS A 174 12.610 5.814 -8.489 1.00 4.66 H new ATOM 1351 N SER A 175 9.941 5.226 -3.685 1.00 2.06 N ATOM 1352 CA SER A 175 9.834 6.570 -3.142 1.00 2.52 C ATOM 1353 C SER A 175 10.396 7.615 -4.100 1.00 2.93 C ATOM 1354 O SER A 175 9.794 8.677 -4.290 1.00 3.60 O ATOM 1355 CB SER A 175 10.546 6.627 -1.790 1.00 3.15 C ATOM 1356 OG SER A 175 11.628 5.704 -1.747 1.00 3.52 O ATOM 0 H SER A 175 10.524 4.598 -3.131 1.00 2.06 H new ATOM 0 HA SER A 175 8.778 6.805 -3.005 1.00 2.52 H new ATOM 0 HB2 SER A 175 10.917 7.636 -1.612 1.00 3.15 H new ATOM 0 HB3 SER A 175 9.839 6.402 -0.992 1.00 3.15 H new ATOM 0 HG SER A 175 12.475 6.195 -1.694 1.00 3.52 H new ATOM 1362 N ARG A 176 11.532 7.309 -4.716 1.00 3.11 N ATOM 1363 CA ARG A 176 12.171 8.239 -5.634 1.00 3.87 C ATOM 1364 C ARG A 176 13.325 7.570 -6.373 1.00 4.29 C ATOM 1365 O ARG A 176 13.158 7.088 -7.492 1.00 4.77 O ATOM 1366 CB ARG A 176 12.673 9.467 -4.873 1.00 4.45 C ATOM 1367 CG ARG A 176 13.383 10.490 -5.742 1.00 4.94 C ATOM 1368 CD ARG A 176 14.084 11.525 -4.885 1.00 5.64 C ATOM 1369 NE ARG A 176 14.982 10.901 -3.914 1.00 6.15 N ATOM 1370 CZ ARG A 176 15.750 11.572 -3.064 1.00 6.90 C ATOM 1371 NH1 ARG A 176 15.722 12.898 -3.041 1.00 7.24 N ATOM 1372 NH2 ARG A 176 16.539 10.906 -2.231 1.00 7.60 N ATOM 0 H ARG A 176 12.027 6.425 -4.596 1.00 3.11 H new ATOM 0 HA ARG A 176 11.432 8.554 -6.371 1.00 3.87 H new ATOM 0 HB2 ARG A 176 11.827 9.948 -4.383 1.00 4.45 H new ATOM 0 HB3 ARG A 176 13.353 9.140 -4.086 1.00 4.45 H new ATOM 0 HG2 ARG A 176 14.109 9.989 -6.383 1.00 4.94 H new ATOM 0 HG3 ARG A 176 12.663 10.980 -6.398 1.00 4.94 H new ATOM 0 HD2 ARG A 176 14.651 12.203 -5.523 1.00 5.64 H new ATOM 0 HD3 ARG A 176 13.342 12.127 -4.361 1.00 5.64 H new ATOM 0 HE ARG A 176 15.021 9.882 -3.888 1.00 6.15 H new ATOM 0 HH11 ARG A 176 15.109 13.406 -3.678 1.00 7.24 H new ATOM 0 HH12 ARG A 176 16.314 13.409 -2.386 1.00 7.24 H new ATOM 0 HH21 ARG A 176 16.552 9.886 -2.247 1.00 7.60 H new ATOM 0 HH22 ARG A 176 17.132 11.414 -1.575 1.00 7.60 H new ATOM 1386 N LYS A 177 14.486 7.522 -5.729 1.00 4.61 N ATOM 1387 CA LYS A 177 15.699 7.030 -6.358 1.00 5.47 C ATOM 1388 C LYS A 177 16.786 6.860 -5.300 1.00 6.20 C ATOM 1389 O LYS A 177 17.721 7.658 -5.214 1.00 6.81 O ATOM 1390 CB LYS A 177 16.156 8.020 -7.429 1.00 5.99 C ATOM 1391 CG LYS A 177 17.330 7.547 -8.266 1.00 6.65 C ATOM 1392 CD LYS A 177 17.937 8.703 -9.046 1.00 7.44 C ATOM 1393 CE LYS A 177 16.906 9.376 -9.939 1.00 7.99 C ATOM 1394 NZ LYS A 177 17.461 10.569 -10.628 1.00 8.61 N ATOM 0 H LYS A 177 14.609 7.822 -4.762 1.00 4.61 H new ATOM 0 HA LYS A 177 15.505 6.065 -6.827 1.00 5.47 H new ATOM 0 HB2 LYS A 177 15.317 8.232 -8.091 1.00 5.99 H new ATOM 0 HB3 LYS A 177 16.426 8.959 -6.946 1.00 5.99 H new ATOM 0 HG2 LYS A 177 18.087 7.101 -7.620 1.00 6.65 H new ATOM 0 HG3 LYS A 177 17.001 6.770 -8.956 1.00 6.65 H new ATOM 0 HD2 LYS A 177 18.351 9.434 -8.352 1.00 7.44 H new ATOM 0 HD3 LYS A 177 18.764 8.338 -9.655 1.00 7.44 H new ATOM 0 HE2 LYS A 177 16.548 8.662 -10.681 1.00 7.99 H new ATOM 0 HE3 LYS A 177 16.045 9.671 -9.340 1.00 7.99 H new ATOM 0 HZ1 LYS A 177 16.726 10.998 -11.226 1.00 8.61 H new ATOM 0 HZ2 LYS A 177 17.779 11.262 -9.921 1.00 8.61 H new ATOM 0 HZ3 LYS A 177 18.267 10.284 -11.220 1.00 8.61 H new ATOM 1408 N GLU A 178 16.638 5.842 -4.471 1.00 6.45 N ATOM 1409 CA GLU A 178 17.558 5.625 -3.366 1.00 7.43 C ATOM 1410 C GLU A 178 18.419 4.393 -3.611 1.00 7.96 C ATOM 1411 O GLU A 178 17.989 3.443 -4.268 1.00 8.13 O ATOM 1412 CB GLU A 178 16.799 5.472 -2.041 1.00 7.79 C ATOM 1413 CG GLU A 178 16.158 6.756 -1.524 1.00 8.26 C ATOM 1414 CD GLU A 178 15.013 7.251 -2.387 1.00 8.30 C ATOM 1415 OE1 GLU A 178 13.963 6.582 -2.429 1.00 8.55 O ATOM 1416 OE2 GLU A 178 15.152 8.315 -3.025 1.00 8.32 O ATOM 0 H GLU A 178 15.890 5.152 -4.541 1.00 6.45 H new ATOM 0 HA GLU A 178 18.205 6.500 -3.300 1.00 7.43 H new ATOM 0 HB2 GLU A 178 16.021 4.719 -2.168 1.00 7.79 H new ATOM 0 HB3 GLU A 178 17.487 5.095 -1.285 1.00 7.79 H new ATOM 0 HG2 GLU A 178 15.793 6.588 -0.511 1.00 8.26 H new ATOM 0 HG3 GLU A 178 16.919 7.534 -1.463 1.00 8.26 H new ATOM 1423 N ARG A 179 19.640 4.426 -3.095 1.00 8.49 N ATOM 1424 CA ARG A 179 20.537 3.285 -3.184 1.00 9.26 C ATOM 1425 C ARG A 179 20.120 2.225 -2.180 1.00 10.11 C ATOM 1426 O ARG A 179 20.143 1.026 -2.469 1.00 10.52 O ATOM 1427 CB ARG A 179 21.986 3.711 -2.926 1.00 9.63 C ATOM 1428 CG ARG A 179 22.582 4.603 -4.010 1.00 10.21 C ATOM 1429 CD ARG A 179 22.758 3.863 -5.331 1.00 10.71 C ATOM 1430 NE ARG A 179 21.482 3.541 -5.972 1.00 11.04 N ATOM 1431 CZ ARG A 179 21.168 2.334 -6.445 1.00 11.73 C ATOM 1432 NH1 ARG A 179 22.009 1.319 -6.293 1.00 12.15 N ATOM 1433 NH2 ARG A 179 20.003 2.137 -7.046 1.00 12.18 N ATOM 0 H ARG A 179 20.032 5.233 -2.610 1.00 8.49 H new ATOM 0 HA ARG A 179 20.476 2.873 -4.191 1.00 9.26 H new ATOM 0 HB2 ARG A 179 22.033 4.237 -1.973 1.00 9.63 H new ATOM 0 HB3 ARG A 179 22.603 2.818 -2.828 1.00 9.63 H new ATOM 0 HG2 ARG A 179 21.936 5.467 -4.163 1.00 10.21 H new ATOM 0 HG3 ARG A 179 23.548 4.982 -3.676 1.00 10.21 H new ATOM 0 HD2 ARG A 179 23.356 4.473 -6.008 1.00 10.71 H new ATOM 0 HD3 ARG A 179 23.315 2.942 -5.156 1.00 10.71 H new ATOM 0 HE ARG A 179 20.791 4.285 -6.063 1.00 11.04 H new ATOM 0 HH11 ARG A 179 22.898 1.461 -5.813 1.00 12.15 H new ATOM 0 HH12 ARG A 179 21.766 0.397 -6.656 1.00 12.15 H new ATOM 0 HH21 ARG A 179 19.344 2.909 -7.148 1.00 12.18 H new ATOM 0 HH22 ARG A 179 19.765 1.213 -7.407 1.00 12.18 H new ATOM 1447 N GLU A 180 19.722 2.685 -1.005 1.00 10.55 N ATOM 1448 CA GLU A 180 19.254 1.803 0.050 1.00 11.52 C ATOM 1449 C GLU A 180 17.755 1.581 -0.104 1.00 12.20 C ATOM 1450 O GLU A 180 16.948 2.450 0.236 1.00 12.70 O ATOM 1451 CB GLU A 180 19.584 2.402 1.423 1.00 11.80 C ATOM 1452 CG GLU A 180 19.129 1.566 2.604 1.00 12.14 C ATOM 1453 CD GLU A 180 19.466 2.229 3.923 1.00 12.44 C ATOM 1454 OE1 GLU A 180 18.905 3.307 4.211 1.00 12.62 O ATOM 1455 OE2 GLU A 180 20.321 1.699 4.663 1.00 12.64 O ATOM 0 H GLU A 180 19.714 3.674 -0.757 1.00 10.55 H new ATOM 0 HA GLU A 180 19.759 0.840 -0.027 1.00 11.52 H new ATOM 0 HB2 GLU A 180 20.662 2.547 1.492 1.00 11.80 H new ATOM 0 HB3 GLU A 180 19.125 3.388 1.494 1.00 11.80 H new ATOM 0 HG2 GLU A 180 18.053 1.405 2.542 1.00 12.14 H new ATOM 0 HG3 GLU A 180 19.602 0.585 2.559 1.00 12.14 H new ATOM 1462 N ALA A 181 17.393 0.429 -0.654 1.00 12.41 N ATOM 1463 CA ALA A 181 16.003 0.101 -0.915 1.00 13.20 C ATOM 1464 C ALA A 181 15.849 -1.389 -1.180 1.00 13.42 C ATOM 1465 O ALA A 181 16.707 -2.009 -1.812 1.00 13.65 O ATOM 1466 CB ALA A 181 15.488 0.903 -2.101 1.00 13.56 C ATOM 0 H ALA A 181 18.053 -0.299 -0.929 1.00 12.41 H new ATOM 0 HA ALA A 181 15.414 0.359 -0.035 1.00 13.20 H new ATOM 0 HB1 ALA A 181 14.445 0.648 -2.287 1.00 13.56 H new ATOM 0 HB2 ALA A 181 15.568 1.968 -1.883 1.00 13.56 H new ATOM 0 HB3 ALA A 181 16.082 0.668 -2.984 1.00 13.56 H new ATOM 1472 N GLU A 182 14.766 -1.962 -0.684 1.00 13.52 N ATOM 1473 CA GLU A 182 14.463 -3.362 -0.923 1.00 13.92 C ATOM 1474 C GLU A 182 13.064 -3.494 -1.511 1.00 14.43 C ATOM 1475 O GLU A 182 12.943 -3.463 -2.747 1.00 15.05 O ATOM 1476 CB GLU A 182 14.583 -4.165 0.376 1.00 13.77 C ATOM 1477 CG GLU A 182 14.340 -5.657 0.210 1.00 14.19 C ATOM 1478 CD GLU A 182 15.262 -6.296 -0.803 1.00 14.38 C ATOM 1479 OE1 GLU A 182 16.493 -6.233 -0.615 1.00 14.58 O ATOM 1480 OE2 GLU A 182 14.760 -6.866 -1.795 1.00 14.46 O ATOM 1481 OXT GLU A 182 12.087 -3.608 -0.743 1.00 14.36 O ATOM 0 H GLU A 182 14.078 -1.475 -0.110 1.00 13.52 H new ATOM 0 HA GLU A 182 15.182 -3.764 -1.637 1.00 13.92 H new ATOM 0 HB2 GLU A 182 15.579 -4.014 0.793 1.00 13.77 H new ATOM 0 HB3 GLU A 182 13.871 -3.771 1.101 1.00 13.77 H new ATOM 0 HG2 GLU A 182 14.470 -6.150 1.173 1.00 14.19 H new ATOM 0 HG3 GLU A 182 13.306 -5.820 -0.094 1.00 14.19 H new TER 1488 GLU A 182