USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 945 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 127 ASN : amide:sc= -0.454 K(o=-0.62,f=-3.3!) USER MOD Set 1.2: A 142 SER OG : rot 180:sc= -0.162 USER MOD Set 2.1: A 119 HIS : no HE2:sc= -0.0857 K(o=-0.075,f=-8!) USER MOD Set 2.2: A 131 HIS : no HE2:sc= 0.554 K(o=-0.075,f=-7.7!) USER MOD Set 2.3: A 133 SER OG : rot 180:sc= -0.543 USER MOD Set 3.1: A 123 TYR OH : rot -140:sc= -1.14! USER MOD Set 3.2: A 143 MET CE :methyl -124:sc= -1.26 (180deg=-0.168) USER MOD Set 4.1: A 68 CYS SG : rot 100:sc= -0.27 USER MOD Set 4.2: A 69 SER OG : rot 140:sc= 0.625 USER MOD Set 4.3: A 88 THR OG1 : rot -26:sc= 1.32 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc=-0.00228 USER MOD Single : A 45 MET CE :methyl -114:sc= -0.631 (180deg=-2.66!) USER MOD Single : A 47 GLN : amide:sc= -0.707 X(o=-0.71,f=-0.38) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 30:sc= 0 USER MOD Single : A 61 SER OG : rot -63:sc= 0.864 USER MOD Single : A 62 THR OG1 : rot 170:sc= -0.345 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0975) USER MOD Single : A 73 GLN : amide:sc= -2.69! C(o=-2.7!,f=-3.4!) USER MOD Single : A 75 THR OG1 : rot 74:sc= 0.687 USER MOD Single : A 79 GLN :FLIP amide:sc= -3.45 F(o=-7.3!,f=-3.4) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.544 K(o=-0.54,f=-1.3) USER MOD Single : A 92 GLN : amide:sc= -1.1 K(o=-1.1,f=-4.5!) USER MOD Single : A 94 MET CE :methyl 171:sc= -0.613 (180deg=-0.768) USER MOD Single : A 96 LYS NZ :NH3+ 168:sc= -0.0109 (180deg=-0.174) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= -0.0701 USER MOD Single : A 101 SER OG : rot -35:sc= 0.668 USER MOD Single : A 102 ASN : amide:sc= 0.0218 K(o=0.022,f=-4.6!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 169:sc= 0.373 USER MOD Single : A 144 ASN : amide:sc= -0.341 X(o=-0.34,f=-0.003) USER MOD Single : A 147 TYR OH : rot 180:sc= 1.02 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 ASN : amide:sc= 0.394 K(o=0.39,f=-9.7!) USER MOD ----------------------------------------------------------------- ATOM 50 N ASP A 39 -10.358 -14.162 2.211 1.00 0.21 N ATOM 51 CA ASP A 39 -9.874 -13.326 1.111 1.00 34.30 C ATOM 52 C ASP A 39 -9.068 -12.126 1.632 1.00 23.13 C ATOM 53 O ASP A 39 -9.574 -11.319 2.418 1.00 2.24 O ATOM 54 CB ASP A 39 -11.055 -12.838 0.264 1.00 43.20 C ATOM 55 CG ASP A 39 -11.775 -13.978 -0.427 1.00 42.11 C ATOM 56 OD1 ASP A 39 -12.670 -14.586 0.193 1.00 51.22 O ATOM 57 OD2 ASP A 39 -11.448 -14.272 -1.597 1.00 22.53 O ATOM 0 HA ASP A 39 -9.212 -13.933 0.493 1.00 34.30 H new ATOM 0 HB2 ASP A 39 -11.758 -12.299 0.900 1.00 43.20 H new ATOM 0 HB3 ASP A 39 -10.696 -12.131 -0.484 1.00 43.20 H new ATOM 62 N VAL A 40 -7.820 -12.018 1.183 1.00 12.12 N ATOM 63 CA VAL A 40 -6.918 -10.939 1.611 1.00 13.45 C ATOM 64 C VAL A 40 -7.576 -9.556 1.456 1.00 40.02 C ATOM 65 O VAL A 40 -7.512 -8.716 2.360 1.00 42.30 O ATOM 66 CB VAL A 40 -5.592 -10.974 0.805 1.00 55.34 C ATOM 67 CG1 VAL A 40 -4.623 -9.892 1.285 1.00 51.21 C ATOM 68 CG2 VAL A 40 -4.946 -12.356 0.886 1.00 51.14 C ATOM 0 H VAL A 40 -7.403 -12.668 0.517 1.00 12.12 H new ATOM 0 HA VAL A 40 -6.702 -11.103 2.667 1.00 13.45 H new ATOM 0 HB VAL A 40 -5.830 -10.768 -0.239 1.00 55.34 H new ATOM 0 HG11 VAL A 40 -3.704 -9.942 0.701 1.00 51.21 H new ATOM 0 HG12 VAL A 40 -5.081 -8.911 1.158 1.00 51.21 H new ATOM 0 HG13 VAL A 40 -4.393 -10.051 2.339 1.00 51.21 H new ATOM 0 HG21 VAL A 40 -4.018 -12.358 0.314 1.00 51.14 H new ATOM 0 HG22 VAL A 40 -4.731 -12.597 1.927 1.00 51.14 H new ATOM 0 HG23 VAL A 40 -5.627 -13.101 0.475 1.00 51.14 H new ATOM 78 N LYS A 41 -8.233 -9.335 0.315 1.00 21.33 N ATOM 79 CA LYS A 41 -8.916 -8.064 0.047 1.00 31.42 C ATOM 80 C LYS A 41 -10.000 -7.770 1.099 1.00 42.23 C ATOM 81 O LYS A 41 -10.179 -6.626 1.514 1.00 40.12 O ATOM 82 CB LYS A 41 -9.537 -8.073 -1.354 1.00 53.55 C ATOM 83 CG LYS A 41 -10.170 -6.742 -1.745 1.00 64.12 C ATOM 84 CD LYS A 41 -10.842 -6.799 -3.114 1.00 22.43 C ATOM 85 CE LYS A 41 -11.468 -5.457 -3.482 1.00 25.44 C ATOM 86 NZ LYS A 41 -12.108 -5.475 -4.823 1.00 23.53 N ATOM 0 H LYS A 41 -8.307 -10.018 -0.439 1.00 21.33 H new ATOM 0 HA LYS A 41 -8.168 -7.273 0.103 1.00 31.42 H new ATOM 0 HB2 LYS A 41 -8.768 -8.329 -2.083 1.00 53.55 H new ATOM 0 HB3 LYS A 41 -10.295 -8.855 -1.402 1.00 53.55 H new ATOM 0 HG2 LYS A 41 -10.906 -6.458 -0.993 1.00 64.12 H new ATOM 0 HG3 LYS A 41 -9.404 -5.966 -1.751 1.00 64.12 H new ATOM 0 HD2 LYS A 41 -10.109 -7.080 -3.870 1.00 22.43 H new ATOM 0 HD3 LYS A 41 -11.610 -7.572 -3.112 1.00 22.43 H new ATOM 0 HE2 LYS A 41 -12.212 -5.189 -2.732 1.00 25.44 H new ATOM 0 HE3 LYS A 41 -10.700 -4.684 -3.460 1.00 25.44 H new ATOM 0 HZ1 LYS A 41 -12.518 -4.541 -5.025 1.00 23.53 H new ATOM 0 HZ2 LYS A 41 -11.395 -5.704 -5.545 1.00 23.53 H new ATOM 0 HZ3 LYS A 41 -12.860 -6.193 -4.839 1.00 23.53 H new ATOM 100 N SER A 42 -10.709 -8.813 1.543 1.00 25.23 N ATOM 101 CA SER A 42 -11.769 -8.670 2.564 1.00 63.13 C ATOM 102 C SER A 42 -11.213 -8.197 3.918 1.00 22.35 C ATOM 103 O SER A 42 -11.969 -7.862 4.831 1.00 50.15 O ATOM 104 CB SER A 42 -12.524 -9.995 2.752 1.00 32.11 C ATOM 105 OG SER A 42 -13.254 -10.338 1.581 1.00 22.45 O ATOM 0 H SER A 42 -10.573 -9.769 1.215 1.00 25.23 H new ATOM 0 HA SER A 42 -12.456 -7.907 2.199 1.00 63.13 H new ATOM 0 HB2 SER A 42 -11.817 -10.790 2.989 1.00 32.11 H new ATOM 0 HB3 SER A 42 -13.206 -9.912 3.598 1.00 32.11 H new ATOM 0 HG SER A 42 -13.724 -11.186 1.725 1.00 22.45 H new ATOM 111 N ARG A 43 -9.892 -8.201 4.057 1.00 24.21 N ATOM 112 CA ARG A 43 -9.240 -7.649 5.247 1.00 4.15 C ATOM 113 C ARG A 43 -8.685 -6.246 4.955 1.00 2.23 C ATOM 114 O ARG A 43 -8.933 -5.294 5.704 1.00 13.44 O ATOM 115 CB ARG A 43 -8.123 -8.585 5.722 1.00 2.44 C ATOM 116 CG ARG A 43 -8.588 -10.004 6.062 1.00 71.24 C ATOM 117 CD ARG A 43 -9.500 -10.057 7.295 1.00 3.24 C ATOM 118 NE ARG A 43 -10.836 -9.498 7.056 1.00 43.13 N ATOM 119 CZ ARG A 43 -11.886 -9.767 7.785 1.00 74.53 C ATOM 120 NH1 ARG A 43 -11.809 -10.602 8.771 1.00 31.33 N ATOM 121 NH2 ARG A 43 -13.022 -9.206 7.520 1.00 15.43 N ATOM 0 H ARG A 43 -9.248 -8.580 3.362 1.00 24.21 H new ATOM 0 HA ARG A 43 -9.981 -7.563 6.042 1.00 4.15 H new ATOM 0 HB2 ARG A 43 -7.359 -8.642 4.946 1.00 2.44 H new ATOM 0 HB3 ARG A 43 -7.651 -8.150 6.603 1.00 2.44 H new ATOM 0 HG2 ARG A 43 -9.119 -10.421 5.206 1.00 71.24 H new ATOM 0 HG3 ARG A 43 -7.716 -10.635 6.235 1.00 71.24 H new ATOM 0 HD2 ARG A 43 -9.600 -11.093 7.619 1.00 3.24 H new ATOM 0 HD3 ARG A 43 -9.027 -9.512 8.112 1.00 3.24 H new ATOM 0 HE ARG A 43 -10.952 -8.858 6.270 1.00 43.13 H new ATOM 0 HH11 ARG A 43 -10.922 -11.057 8.985 1.00 31.33 H new ATOM 0 HH12 ARG A 43 -12.635 -10.804 9.334 1.00 31.33 H new ATOM 0 HH21 ARG A 43 -13.099 -8.552 6.741 1.00 15.43 H new ATOM 0 HH22 ARG A 43 -13.841 -9.418 8.091 1.00 15.43 H new ATOM 135 N ILE A 44 -7.953 -6.119 3.847 1.00 70.25 N ATOM 136 CA ILE A 44 -7.415 -4.824 3.410 1.00 43.24 C ATOM 137 C ILE A 44 -8.526 -3.760 3.338 1.00 13.11 C ATOM 138 O ILE A 44 -8.354 -2.627 3.794 1.00 31.13 O ATOM 139 CB ILE A 44 -6.731 -4.941 2.024 1.00 41.43 C ATOM 140 CG1 ILE A 44 -5.658 -6.046 2.043 1.00 71.03 C ATOM 141 CG2 ILE A 44 -6.117 -3.603 1.613 1.00 74.50 C ATOM 142 CD1 ILE A 44 -5.007 -6.293 0.695 1.00 22.41 C ATOM 0 H ILE A 44 -7.717 -6.898 3.232 1.00 70.25 H new ATOM 0 HA ILE A 44 -6.673 -4.519 4.148 1.00 43.24 H new ATOM 0 HB ILE A 44 -7.489 -5.210 1.288 1.00 41.43 H new ATOM 0 HG12 ILE A 44 -4.886 -5.777 2.765 1.00 71.03 H new ATOM 0 HG13 ILE A 44 -6.112 -6.974 2.392 1.00 71.03 H new ATOM 0 HG21 ILE A 44 -5.642 -3.705 0.638 1.00 74.50 H new ATOM 0 HG22 ILE A 44 -6.899 -2.845 1.558 1.00 74.50 H new ATOM 0 HG23 ILE A 44 -5.372 -3.303 2.350 1.00 74.50 H new ATOM 0 HD11 ILE A 44 -4.263 -7.084 0.790 1.00 22.41 H new ATOM 0 HD12 ILE A 44 -5.767 -6.594 -0.026 1.00 22.41 H new ATOM 0 HD13 ILE A 44 -4.523 -5.379 0.352 1.00 22.41 H new ATOM 154 N MET A 45 -9.672 -4.143 2.779 1.00 23.21 N ATOM 155 CA MET A 45 -10.827 -3.241 2.682 1.00 1.34 C ATOM 156 C MET A 45 -11.474 -2.991 4.056 1.00 65.33 C ATOM 157 O MET A 45 -12.152 -1.983 4.252 1.00 31.43 O ATOM 158 CB MET A 45 -11.874 -3.801 1.709 1.00 1.22 C ATOM 159 CG MET A 45 -11.402 -3.920 0.260 1.00 21.00 C ATOM 160 SD MET A 45 -11.025 -2.329 -0.514 1.00 14.24 S ATOM 161 CE MET A 45 -9.302 -2.091 -0.076 1.00 5.02 C ATOM 0 H MET A 45 -9.830 -5.071 2.385 1.00 23.21 H new ATOM 0 HA MET A 45 -10.458 -2.288 2.303 1.00 1.34 H new ATOM 0 HB2 MET A 45 -12.184 -4.786 2.058 1.00 1.22 H new ATOM 0 HB3 MET A 45 -12.756 -3.161 1.738 1.00 1.22 H new ATOM 0 HG2 MET A 45 -10.513 -4.550 0.227 1.00 21.00 H new ATOM 0 HG3 MET A 45 -12.172 -4.425 -0.324 1.00 21.00 H new ATOM 0 HE1 MET A 45 -9.211 -1.235 0.593 1.00 5.02 H new ATOM 0 HE2 MET A 45 -8.927 -2.984 0.425 1.00 5.02 H new ATOM 0 HE3 MET A 45 -8.719 -1.909 -0.979 1.00 5.02 H new ATOM 171 N ASP A 46 -11.260 -3.902 5.007 1.00 20.44 N ATOM 172 CA ASP A 46 -11.818 -3.753 6.354 1.00 2.11 C ATOM 173 C ASP A 46 -11.196 -2.543 7.068 1.00 15.13 C ATOM 174 O ASP A 46 -11.905 -1.735 7.669 1.00 1.40 O ATOM 175 CB ASP A 46 -11.600 -5.032 7.171 1.00 42.45 C ATOM 176 CG ASP A 46 -12.275 -4.966 8.530 1.00 32.15 C ATOM 177 OD1 ASP A 46 -13.525 -4.969 8.571 1.00 63.53 O ATOM 178 OD2 ASP A 46 -11.563 -4.892 9.553 1.00 1.22 O ATOM 0 H ASP A 46 -10.707 -4.748 4.871 1.00 20.44 H new ATOM 0 HA ASP A 46 -12.891 -3.582 6.263 1.00 2.11 H new ATOM 0 HB2 ASP A 46 -11.987 -5.886 6.616 1.00 42.45 H new ATOM 0 HB3 ASP A 46 -10.531 -5.197 7.306 1.00 42.45 H new ATOM 183 N GLN A 47 -9.868 -2.423 6.999 1.00 72.20 N ATOM 184 CA GLN A 47 -9.186 -1.217 7.500 1.00 11.14 C ATOM 185 C GLN A 47 -9.459 -0.013 6.587 1.00 65.12 C ATOM 186 O GLN A 47 -9.715 1.092 7.064 1.00 34.41 O ATOM 187 CB GLN A 47 -7.670 -1.443 7.644 1.00 72.23 C ATOM 188 CG GLN A 47 -7.254 -2.040 8.987 1.00 73.13 C ATOM 189 CD GLN A 47 -7.563 -1.119 10.159 1.00 42.42 C ATOM 190 OE1 GLN A 47 -6.755 -0.277 10.540 1.00 41.32 O ATOM 191 NE2 GLN A 47 -8.732 -1.271 10.744 1.00 40.23 N ATOM 0 H GLN A 47 -9.247 -3.132 6.608 1.00 72.20 H new ATOM 0 HA GLN A 47 -9.591 -1.004 8.489 1.00 11.14 H new ATOM 0 HB2 GLN A 47 -7.334 -2.104 6.845 1.00 72.23 H new ATOM 0 HB3 GLN A 47 -7.157 -0.491 7.507 1.00 72.23 H new ATOM 0 HG2 GLN A 47 -7.767 -2.991 9.132 1.00 73.13 H new ATOM 0 HG3 GLN A 47 -6.185 -2.254 8.970 1.00 73.13 H new ATOM 0 HE21 GLN A 47 -9.383 -1.979 10.406 1.00 40.23 H new ATOM 0 HE22 GLN A 47 -8.987 -0.681 11.536 1.00 40.23 H new ATOM 200 N TYR A 48 -9.417 -0.235 5.272 1.00 72.34 N ATOM 201 CA TYR A 48 -9.735 0.819 4.296 1.00 3.45 C ATOM 202 C TYR A 48 -11.074 1.498 4.628 1.00 2.04 C ATOM 203 O TYR A 48 -11.220 2.707 4.466 1.00 41.42 O ATOM 204 CB TYR A 48 -9.770 0.229 2.877 1.00 4.50 C ATOM 205 CG TYR A 48 -10.113 1.230 1.783 1.00 55.14 C ATOM 206 CD1 TYR A 48 -9.377 2.397 1.619 1.00 21.42 C ATOM 207 CD2 TYR A 48 -11.167 0.994 0.900 1.00 32.41 C ATOM 208 CE1 TYR A 48 -9.680 3.300 0.615 1.00 73.44 C ATOM 209 CE2 TYR A 48 -11.475 1.895 -0.104 1.00 35.30 C ATOM 210 CZ TYR A 48 -10.727 3.046 -0.242 1.00 53.11 C ATOM 211 OH TYR A 48 -11.022 3.946 -1.246 1.00 72.24 O ATOM 0 H TYR A 48 -9.167 -1.132 4.855 1.00 72.34 H new ATOM 0 HA TYR A 48 -8.954 1.578 4.347 1.00 3.45 H new ATOM 0 HB2 TYR A 48 -8.797 -0.211 2.657 1.00 4.50 H new ATOM 0 HB3 TYR A 48 -10.499 -0.581 2.852 1.00 4.50 H new ATOM 0 HD1 TYR A 48 -8.554 2.603 2.287 1.00 21.42 H new ATOM 0 HD2 TYR A 48 -11.753 0.092 1.002 1.00 32.41 H new ATOM 0 HE1 TYR A 48 -9.096 4.202 0.504 1.00 73.44 H new ATOM 0 HE2 TYR A 48 -12.297 1.698 -0.776 1.00 35.30 H new ATOM 0 HH TYR A 48 -11.787 3.619 -1.764 1.00 72.24 H new ATOM 221 N ALA A 49 -12.036 0.710 5.114 1.00 22.25 N ATOM 222 CA ALA A 49 -13.333 1.239 5.547 1.00 75.43 C ATOM 223 C ALA A 49 -13.174 2.301 6.651 1.00 53.45 C ATOM 224 O ALA A 49 -13.864 3.321 6.649 1.00 73.42 O ATOM 225 CB ALA A 49 -14.222 0.099 6.032 1.00 32.21 C ATOM 0 H ALA A 49 -11.941 -0.300 5.218 1.00 22.25 H new ATOM 0 HA ALA A 49 -13.802 1.724 4.691 1.00 75.43 H new ATOM 0 HB1 ALA A 49 -15.184 0.499 6.352 1.00 32.21 H new ATOM 0 HB2 ALA A 49 -14.377 -0.612 5.221 1.00 32.21 H new ATOM 0 HB3 ALA A 49 -13.742 -0.406 6.870 1.00 32.21 H new ATOM 231 N ASP A 50 -12.255 2.056 7.583 1.00 73.24 N ATOM 232 CA ASP A 50 -11.975 3.005 8.668 1.00 73.30 C ATOM 233 C ASP A 50 -11.163 4.215 8.171 1.00 15.42 C ATOM 234 O ASP A 50 -11.276 5.317 8.712 1.00 50.02 O ATOM 235 CB ASP A 50 -11.227 2.299 9.805 1.00 22.42 C ATOM 236 CG ASP A 50 -12.091 1.269 10.515 1.00 2.40 C ATOM 237 OD1 ASP A 50 -13.006 1.675 11.262 1.00 60.24 O ATOM 238 OD2 ASP A 50 -11.857 0.053 10.340 1.00 11.51 O ATOM 0 H ASP A 50 -11.689 1.208 7.612 1.00 73.24 H new ATOM 0 HA ASP A 50 -12.930 3.377 9.039 1.00 73.30 H new ATOM 0 HB2 ASP A 50 -10.339 1.810 9.404 1.00 22.42 H new ATOM 0 HB3 ASP A 50 -10.884 3.041 10.526 1.00 22.42 H new ATOM 243 N TRP A 51 -10.343 4.002 7.144 1.00 3.12 N ATOM 244 CA TRP A 51 -9.518 5.078 6.575 1.00 43.50 C ATOM 245 C TRP A 51 -10.226 5.799 5.404 1.00 2.51 C ATOM 246 O TRP A 51 -9.638 6.665 4.750 1.00 2.41 O ATOM 247 CB TRP A 51 -8.161 4.514 6.120 1.00 41.43 C ATOM 248 CG TRP A 51 -7.315 4.004 7.261 1.00 51.11 C ATOM 249 CD1 TRP A 51 -7.320 2.745 7.794 1.00 73.11 C ATOM 250 CD2 TRP A 51 -6.341 4.746 8.003 1.00 24.51 C ATOM 251 NE1 TRP A 51 -6.413 2.663 8.823 1.00 21.22 N ATOM 252 CE2 TRP A 51 -5.798 3.879 8.969 1.00 32.33 C ATOM 253 CE3 TRP A 51 -5.873 6.062 7.943 1.00 52.24 C ATOM 254 CZ2 TRP A 51 -4.814 4.286 9.867 1.00 25.45 C ATOM 255 CZ3 TRP A 51 -4.899 6.464 8.836 1.00 3.43 C ATOM 256 CH2 TRP A 51 -4.376 5.578 9.785 1.00 33.21 C ATOM 0 H TRP A 51 -10.229 3.098 6.686 1.00 3.12 H new ATOM 0 HA TRP A 51 -9.357 5.820 7.357 1.00 43.50 H new ATOM 0 HB2 TRP A 51 -8.331 3.703 5.412 1.00 41.43 H new ATOM 0 HB3 TRP A 51 -7.612 5.291 5.588 1.00 41.43 H new ATOM 0 HD1 TRP A 51 -7.946 1.933 7.455 1.00 73.11 H new ATOM 0 HE1 TRP A 51 -6.228 1.833 9.386 1.00 21.22 H new ATOM 0 HE3 TRP A 51 -6.266 6.752 7.211 1.00 52.24 H new ATOM 0 HZ2 TRP A 51 -4.411 3.605 10.602 1.00 25.45 H new ATOM 0 HZ3 TRP A 51 -4.534 7.480 8.801 1.00 3.43 H new ATOM 0 HH2 TRP A 51 -3.611 5.922 10.466 1.00 33.21 H new ATOM 267 N LYS A 52 -11.489 5.448 5.157 1.00 73.15 N ATOM 268 CA LYS A 52 -12.295 6.096 4.113 1.00 5.41 C ATOM 269 C LYS A 52 -12.424 7.612 4.345 1.00 33.53 C ATOM 270 O LYS A 52 -13.211 8.064 5.179 1.00 70.15 O ATOM 271 CB LYS A 52 -13.692 5.455 4.056 1.00 2.30 C ATOM 272 CG LYS A 52 -13.728 4.085 3.377 1.00 64.33 C ATOM 273 CD LYS A 52 -13.801 4.196 1.856 1.00 52.11 C ATOM 274 CE LYS A 52 -15.110 4.834 1.402 1.00 71.04 C ATOM 275 NZ LYS A 52 -15.217 4.904 -0.078 1.00 14.34 N ATOM 0 H LYS A 52 -11.981 4.715 5.667 1.00 73.15 H new ATOM 0 HA LYS A 52 -11.783 5.949 3.162 1.00 5.41 H new ATOM 0 HB2 LYS A 52 -14.075 5.354 5.072 1.00 2.30 H new ATOM 0 HB3 LYS A 52 -14.366 6.128 3.527 1.00 2.30 H new ATOM 0 HG2 LYS A 52 -12.839 3.520 3.656 1.00 64.33 H new ATOM 0 HG3 LYS A 52 -14.589 3.524 3.740 1.00 64.33 H new ATOM 0 HD2 LYS A 52 -12.961 4.789 1.493 1.00 52.11 H new ATOM 0 HD3 LYS A 52 -13.706 3.205 1.413 1.00 52.11 H new ATOM 0 HE2 LYS A 52 -15.948 4.261 1.798 1.00 71.04 H new ATOM 0 HE3 LYS A 52 -15.186 5.839 1.818 1.00 71.04 H new ATOM 0 HZ1 LYS A 52 -16.122 5.344 -0.340 1.00 14.34 H new ATOM 0 HZ2 LYS A 52 -14.433 5.473 -0.456 1.00 14.34 H new ATOM 0 HZ3 LYS A 52 -15.171 3.944 -0.475 1.00 14.34 H new ATOM 289 N GLY A 53 -11.636 8.396 3.609 1.00 54.24 N ATOM 290 CA GLY A 53 -11.727 9.851 3.697 1.00 64.55 C ATOM 291 C GLY A 53 -10.566 10.500 4.444 1.00 15.21 C ATOM 292 O GLY A 53 -10.525 11.723 4.591 1.00 54.14 O ATOM 0 H GLY A 53 -10.935 8.052 2.953 1.00 54.24 H new ATOM 0 HA2 GLY A 53 -11.774 10.264 2.689 1.00 64.55 H new ATOM 0 HA3 GLY A 53 -12.660 10.117 4.194 1.00 64.55 H new ATOM 296 N VAL A 54 -9.626 9.694 4.930 1.00 62.23 N ATOM 297 CA VAL A 54 -8.441 10.220 5.617 1.00 42.32 C ATOM 298 C VAL A 54 -7.478 10.902 4.629 1.00 54.11 C ATOM 299 O VAL A 54 -7.199 10.376 3.550 1.00 43.02 O ATOM 300 CB VAL A 54 -7.690 9.105 6.388 1.00 73.40 C ATOM 301 CG1 VAL A 54 -6.389 9.635 7.000 1.00 63.34 C ATOM 302 CG2 VAL A 54 -8.591 8.504 7.467 1.00 34.40 C ATOM 0 H VAL A 54 -9.658 8.677 4.863 1.00 62.23 H new ATOM 0 HA VAL A 54 -8.795 10.962 6.333 1.00 42.32 H new ATOM 0 HB VAL A 54 -7.427 8.320 5.679 1.00 73.40 H new ATOM 0 HG11 VAL A 54 -5.884 8.830 7.535 1.00 63.34 H new ATOM 0 HG12 VAL A 54 -5.740 10.008 6.208 1.00 63.34 H new ATOM 0 HG13 VAL A 54 -6.617 10.444 7.694 1.00 63.34 H new ATOM 0 HG21 VAL A 54 -8.049 7.722 8.000 1.00 34.40 H new ATOM 0 HG22 VAL A 54 -8.887 9.283 8.169 1.00 34.40 H new ATOM 0 HG23 VAL A 54 -9.480 8.077 7.003 1.00 34.40 H new ATOM 312 N ARG A 55 -6.986 12.080 4.999 1.00 14.25 N ATOM 313 CA ARG A 55 -6.072 12.847 4.141 1.00 71.22 C ATOM 314 C ARG A 55 -4.605 12.424 4.321 1.00 41.13 C ATOM 315 O ARG A 55 -4.263 11.653 5.220 1.00 25.32 O ATOM 316 CB ARG A 55 -6.212 14.345 4.430 1.00 24.32 C ATOM 317 CG ARG A 55 -5.998 14.715 5.893 1.00 20.23 C ATOM 318 CD ARG A 55 -5.931 16.227 6.086 1.00 21.25 C ATOM 319 NE ARG A 55 -7.086 16.918 5.516 1.00 40.02 N ATOM 320 CZ ARG A 55 -7.381 18.168 5.749 1.00 23.24 C ATOM 321 NH1 ARG A 55 -6.649 18.888 6.540 1.00 64.32 N ATOM 322 NH2 ARG A 55 -8.409 18.704 5.181 1.00 3.34 N ATOM 0 H ARG A 55 -7.202 12.530 5.888 1.00 14.25 H new ATOM 0 HA ARG A 55 -6.352 12.637 3.109 1.00 71.22 H new ATOM 0 HB2 ARG A 55 -5.494 14.892 3.819 1.00 24.32 H new ATOM 0 HB3 ARG A 55 -7.206 14.673 4.124 1.00 24.32 H new ATOM 0 HG2 ARG A 55 -6.810 14.306 6.495 1.00 20.23 H new ATOM 0 HG3 ARG A 55 -5.075 14.260 6.253 1.00 20.23 H new ATOM 0 HD2 ARG A 55 -5.867 16.451 7.151 1.00 21.25 H new ATOM 0 HD3 ARG A 55 -5.020 16.608 5.625 1.00 21.25 H new ATOM 0 HE ARG A 55 -7.701 16.390 4.897 1.00 40.02 H new ATOM 0 HH11 ARG A 55 -5.830 18.479 6.990 1.00 64.32 H new ATOM 0 HH12 ARG A 55 -6.892 19.864 6.713 1.00 64.32 H new ATOM 0 HH21 ARG A 55 -8.990 18.151 4.551 1.00 3.34 H new ATOM 0 HH22 ARG A 55 -8.640 19.681 5.362 1.00 3.34 H new ATOM 336 N TYR A 56 -3.740 12.952 3.455 1.00 31.54 N ATOM 337 CA TYR A 56 -2.307 12.642 3.495 1.00 11.35 C ATOM 338 C TYR A 56 -1.521 13.793 4.142 1.00 64.14 C ATOM 339 O TYR A 56 -1.779 14.969 3.866 1.00 34.44 O ATOM 340 CB TYR A 56 -1.793 12.392 2.070 1.00 52.45 C ATOM 341 CG TYR A 56 -0.376 11.841 1.991 1.00 42.34 C ATOM 342 CD1 TYR A 56 0.736 12.673 2.092 1.00 72.50 C ATOM 343 CD2 TYR A 56 -0.154 10.480 1.809 1.00 21.41 C ATOM 344 CE1 TYR A 56 2.018 12.165 2.010 1.00 62.42 C ATOM 345 CE2 TYR A 56 1.125 9.968 1.725 1.00 40.21 C ATOM 346 CZ TYR A 56 2.209 10.812 1.828 1.00 24.25 C ATOM 347 OH TYR A 56 3.487 10.296 1.746 1.00 35.44 O ATOM 0 H TYR A 56 -4.006 13.600 2.713 1.00 31.54 H new ATOM 0 HA TYR A 56 -2.160 11.745 4.096 1.00 11.35 H new ATOM 0 HB2 TYR A 56 -2.467 11.695 1.572 1.00 52.45 H new ATOM 0 HB3 TYR A 56 -1.835 13.328 1.514 1.00 52.45 H new ATOM 0 HD1 TYR A 56 0.594 13.734 2.237 1.00 72.50 H new ATOM 0 HD2 TYR A 56 -0.998 9.811 1.732 1.00 21.41 H new ATOM 0 HE1 TYR A 56 2.868 12.826 2.088 1.00 62.42 H new ATOM 0 HE2 TYR A 56 1.276 8.909 1.579 1.00 40.21 H new ATOM 0 HH TYR A 56 4.097 10.848 2.278 1.00 35.44 H new ATOM 357 N ARG A 57 -0.560 13.457 4.995 1.00 41.32 N ATOM 358 CA ARG A 57 0.270 14.468 5.662 1.00 4.22 C ATOM 359 C ARG A 57 1.764 14.116 5.586 1.00 40.20 C ATOM 360 O ARG A 57 2.191 13.057 6.049 1.00 41.42 O ATOM 361 CB ARG A 57 -0.153 14.633 7.129 1.00 74.41 C ATOM 362 CG ARG A 57 0.675 15.668 7.881 1.00 54.31 C ATOM 363 CD ARG A 57 0.283 15.774 9.351 1.00 11.53 C ATOM 364 NE ARG A 57 1.137 16.718 10.066 1.00 41.11 N ATOM 365 CZ ARG A 57 1.230 16.794 11.365 1.00 61.22 C ATOM 366 NH1 ARG A 57 0.519 16.028 12.128 1.00 32.31 N ATOM 367 NH2 ARG A 57 2.029 17.653 11.904 1.00 74.35 N ATOM 0 H ARG A 57 -0.332 12.495 5.245 1.00 41.32 H new ATOM 0 HA ARG A 57 0.117 15.411 5.137 1.00 4.22 H new ATOM 0 HB2 ARG A 57 -1.204 14.921 7.167 1.00 74.41 H new ATOM 0 HB3 ARG A 57 -0.067 13.671 7.635 1.00 74.41 H new ATOM 0 HG2 ARG A 57 1.731 15.407 7.808 1.00 54.31 H new ATOM 0 HG3 ARG A 57 0.554 16.641 7.405 1.00 54.31 H new ATOM 0 HD2 ARG A 57 -0.757 16.091 9.429 1.00 11.53 H new ATOM 0 HD3 ARG A 57 0.353 14.792 9.819 1.00 11.53 H new ATOM 0 HE ARG A 57 1.700 17.363 9.511 1.00 41.11 H new ATOM 0 HH11 ARG A 57 -0.125 15.353 11.715 1.00 32.31 H new ATOM 0 HH12 ARG A 57 0.603 16.099 13.142 1.00 32.31 H new ATOM 0 HH21 ARG A 57 2.586 18.271 11.314 1.00 74.35 H new ATOM 0 HH22 ARG A 57 2.103 17.714 12.920 1.00 74.35 H new ATOM 381 N LEU A 58 2.555 15.015 5.006 1.00 61.53 N ATOM 382 CA LEU A 58 4.009 14.833 4.927 1.00 52.53 C ATOM 383 C LEU A 58 4.643 14.789 6.328 1.00 32.43 C ATOM 384 O LEU A 58 4.799 15.821 6.987 1.00 61.34 O ATOM 385 CB LEU A 58 4.642 15.959 4.096 1.00 61.35 C ATOM 386 CG LEU A 58 4.254 15.977 2.607 1.00 14.45 C ATOM 387 CD1 LEU A 58 4.811 17.222 1.918 1.00 10.04 C ATOM 388 CD2 LEU A 58 4.749 14.710 1.908 1.00 55.43 C ATOM 0 H LEU A 58 2.217 15.879 4.582 1.00 61.53 H new ATOM 0 HA LEU A 58 4.201 13.878 4.439 1.00 52.53 H new ATOM 0 HB2 LEU A 58 4.363 16.915 4.539 1.00 61.35 H new ATOM 0 HB3 LEU A 58 5.726 15.877 4.171 1.00 61.35 H new ATOM 0 HG LEU A 58 3.167 16.006 2.538 1.00 14.45 H new ATOM 0 HD11 LEU A 58 4.525 17.214 0.866 1.00 10.04 H new ATOM 0 HD12 LEU A 58 4.408 18.114 2.397 1.00 10.04 H new ATOM 0 HD13 LEU A 58 5.898 17.227 1.998 1.00 10.04 H new ATOM 0 HD21 LEU A 58 4.465 14.740 0.856 1.00 55.43 H new ATOM 0 HD22 LEU A 58 5.834 14.650 1.990 1.00 55.43 H new ATOM 0 HD23 LEU A 58 4.301 13.836 2.379 1.00 55.43 H new ATOM 400 N GLY A 59 4.986 13.586 6.782 1.00 52.54 N ATOM 401 CA GLY A 59 5.592 13.420 8.099 1.00 74.55 C ATOM 402 C GLY A 59 4.568 13.254 9.222 1.00 54.12 C ATOM 403 O GLY A 59 4.842 13.584 10.380 1.00 75.41 O ATOM 0 H GLY A 59 4.856 12.718 6.262 1.00 52.54 H new ATOM 0 HA2 GLY A 59 6.246 12.548 8.082 1.00 74.55 H new ATOM 0 HA3 GLY A 59 6.219 14.285 8.314 1.00 74.55 H new ATOM 407 N GLY A 60 3.389 12.745 8.884 1.00 72.13 N ATOM 408 CA GLY A 60 2.351 12.500 9.883 1.00 11.51 C ATOM 409 C GLY A 60 1.710 11.126 9.733 1.00 42.14 C ATOM 410 O GLY A 60 1.377 10.713 8.622 1.00 21.22 O ATOM 0 H GLY A 60 3.127 12.494 7.931 1.00 72.13 H new ATOM 0 HA2 GLY A 60 2.782 12.589 10.880 1.00 11.51 H new ATOM 0 HA3 GLY A 60 1.582 13.268 9.799 1.00 11.51 H new ATOM 414 N SER A 61 1.535 10.412 10.840 1.00 50.52 N ATOM 415 CA SER A 61 0.939 9.070 10.795 1.00 12.34 C ATOM 416 C SER A 61 -0.275 8.966 11.724 1.00 25.23 C ATOM 417 O SER A 61 -0.124 8.742 12.926 1.00 40.33 O ATOM 418 CB SER A 61 1.974 8.014 11.205 1.00 64.22 C ATOM 419 OG SER A 61 3.199 8.182 10.505 1.00 63.10 O ATOM 0 H SER A 61 1.793 10.731 11.774 1.00 50.52 H new ATOM 0 HA SER A 61 0.613 8.892 9.770 1.00 12.34 H new ATOM 0 HB2 SER A 61 2.156 8.079 12.278 1.00 64.22 H new ATOM 0 HB3 SER A 61 1.576 7.018 11.009 1.00 64.22 H new ATOM 0 HG SER A 61 3.047 8.056 9.545 1.00 63.10 H new ATOM 425 N THR A 62 -1.475 9.104 11.158 1.00 1.43 N ATOM 426 CA THR A 62 -2.727 9.014 11.931 1.00 73.13 C ATOM 427 C THR A 62 -3.960 9.259 11.045 1.00 10.34 C ATOM 428 O THR A 62 -3.836 9.641 9.884 1.00 32.25 O ATOM 429 CB THR A 62 -2.757 10.028 13.107 1.00 62.34 C ATOM 430 OG1 THR A 62 -4.004 9.932 13.818 1.00 63.30 O ATOM 431 CG2 THR A 62 -2.567 11.458 12.611 1.00 51.30 C ATOM 0 H THR A 62 -1.612 9.279 10.163 1.00 1.43 H new ATOM 0 HA THR A 62 -2.760 8.000 12.330 1.00 73.13 H new ATOM 0 HB THR A 62 -1.934 9.780 13.777 1.00 62.34 H new ATOM 0 HG1 THR A 62 -3.950 10.454 14.646 1.00 63.30 H new ATOM 0 HG21 THR A 62 -2.593 12.143 13.458 1.00 51.30 H new ATOM 0 HG22 THR A 62 -1.605 11.543 12.105 1.00 51.30 H new ATOM 0 HG23 THR A 62 -3.367 11.711 11.915 1.00 51.30 H new ATOM 439 N LYS A 63 -5.153 9.055 11.609 1.00 62.05 N ATOM 440 CA LYS A 63 -6.411 9.300 10.882 1.00 45.22 C ATOM 441 C LYS A 63 -6.611 10.799 10.576 1.00 72.41 C ATOM 442 O LYS A 63 -7.399 11.166 9.706 1.00 61.52 O ATOM 443 CB LYS A 63 -7.604 8.757 11.680 1.00 34.24 C ATOM 444 CG LYS A 63 -7.599 7.238 11.840 1.00 72.12 C ATOM 445 CD LYS A 63 -8.843 6.746 12.575 1.00 41.31 C ATOM 446 CE LYS A 63 -8.879 5.225 12.680 1.00 2.34 C ATOM 447 NZ LYS A 63 -10.102 4.746 13.376 1.00 30.13 N ATOM 0 H LYS A 63 -5.279 8.722 12.565 1.00 62.05 H new ATOM 0 HA LYS A 63 -6.349 8.773 9.930 1.00 45.22 H new ATOM 0 HB2 LYS A 63 -7.608 9.217 12.668 1.00 34.24 H new ATOM 0 HB3 LYS A 63 -8.527 9.058 11.185 1.00 34.24 H new ATOM 0 HG2 LYS A 63 -7.547 6.768 10.858 1.00 72.12 H new ATOM 0 HG3 LYS A 63 -6.707 6.932 12.388 1.00 72.12 H new ATOM 0 HD2 LYS A 63 -8.869 7.179 13.575 1.00 41.31 H new ATOM 0 HD3 LYS A 63 -9.734 7.095 12.053 1.00 41.31 H new ATOM 0 HE2 LYS A 63 -8.836 4.791 11.681 1.00 2.34 H new ATOM 0 HE3 LYS A 63 -7.996 4.877 13.217 1.00 2.34 H new ATOM 0 HZ1 LYS A 63 -10.088 3.707 13.427 1.00 30.13 H new ATOM 0 HZ2 LYS A 63 -10.130 5.139 14.338 1.00 30.13 H new ATOM 0 HZ3 LYS A 63 -10.944 5.056 12.851 1.00 30.13 H new ATOM 461 N LYS A 64 -5.892 11.658 11.298 1.00 15.10 N ATOM 462 CA LYS A 64 -5.918 13.105 11.035 1.00 43.32 C ATOM 463 C LYS A 64 -5.034 13.459 9.824 1.00 23.01 C ATOM 464 O LYS A 64 -5.086 14.572 9.303 1.00 71.33 O ATOM 465 CB LYS A 64 -5.434 13.899 12.267 1.00 64.51 C ATOM 466 CG LYS A 64 -6.348 13.815 13.490 1.00 34.33 C ATOM 467 CD LYS A 64 -6.343 12.429 14.136 1.00 24.41 C ATOM 468 CE LYS A 64 -7.148 12.406 15.430 1.00 63.10 C ATOM 469 NZ LYS A 64 -8.568 12.790 15.218 1.00 42.52 N ATOM 0 H LYS A 64 -5.284 11.382 12.069 1.00 15.10 H new ATOM 0 HA LYS A 64 -6.950 13.378 10.817 1.00 43.32 H new ATOM 0 HB2 LYS A 64 -4.444 13.539 12.547 1.00 64.51 H new ATOM 0 HB3 LYS A 64 -5.324 14.946 11.985 1.00 64.51 H new ATOM 0 HG2 LYS A 64 -6.033 14.555 14.225 1.00 34.33 H new ATOM 0 HG3 LYS A 64 -7.366 14.071 13.196 1.00 34.33 H new ATOM 0 HD2 LYS A 64 -6.756 11.701 13.438 1.00 24.41 H new ATOM 0 HD3 LYS A 64 -5.316 12.127 14.341 1.00 24.41 H new ATOM 0 HE2 LYS A 64 -7.105 11.407 15.864 1.00 63.10 H new ATOM 0 HE3 LYS A 64 -6.694 13.086 16.150 1.00 63.10 H new ATOM 0 HZ1 LYS A 64 -9.098 12.662 16.104 1.00 42.52 H new ATOM 0 HZ2 LYS A 64 -8.618 13.787 14.925 1.00 42.52 H new ATOM 0 HZ3 LYS A 64 -8.983 12.190 14.477 1.00 42.52 H new ATOM 483 N GLY A 65 -4.230 12.493 9.388 1.00 3.20 N ATOM 484 CA GLY A 65 -3.278 12.704 8.303 1.00 40.03 C ATOM 485 C GLY A 65 -2.228 11.603 8.257 1.00 72.13 C ATOM 486 O GLY A 65 -1.391 11.503 9.157 1.00 21.54 O ATOM 0 H GLY A 65 -4.220 11.549 9.774 1.00 3.20 H new ATOM 0 HA2 GLY A 65 -3.811 12.740 7.353 1.00 40.03 H new ATOM 0 HA3 GLY A 65 -2.788 13.669 8.430 1.00 40.03 H new ATOM 490 N ILE A 66 -2.272 10.770 7.222 1.00 33.35 N ATOM 491 CA ILE A 66 -1.401 9.594 7.137 1.00 31.01 C ATOM 492 C ILE A 66 -0.365 9.734 6.004 1.00 33.21 C ATOM 493 O ILE A 66 -0.578 10.474 5.041 1.00 72.45 O ATOM 494 CB ILE A 66 -2.254 8.311 6.921 1.00 32.23 C ATOM 495 CG1 ILE A 66 -1.418 7.037 7.137 1.00 62.55 C ATOM 496 CG2 ILE A 66 -2.896 8.307 5.531 1.00 71.21 C ATOM 497 CD1 ILE A 66 -0.957 6.841 8.567 1.00 63.33 C ATOM 0 H ILE A 66 -2.901 10.885 6.427 1.00 33.35 H new ATOM 0 HA ILE A 66 -0.858 9.515 8.079 1.00 31.01 H new ATOM 0 HB ILE A 66 -3.050 8.318 7.666 1.00 32.23 H new ATOM 0 HG12 ILE A 66 -2.007 6.172 6.834 1.00 62.55 H new ATOM 0 HG13 ILE A 66 -0.545 7.072 6.486 1.00 62.55 H new ATOM 0 HG21 ILE A 66 -3.487 7.400 5.406 1.00 71.21 H new ATOM 0 HG22 ILE A 66 -3.543 9.178 5.426 1.00 71.21 H new ATOM 0 HG23 ILE A 66 -2.116 8.340 4.770 1.00 71.21 H new ATOM 0 HD11 ILE A 66 -0.374 5.923 8.639 1.00 63.33 H new ATOM 0 HD12 ILE A 66 -0.340 7.687 8.869 1.00 63.33 H new ATOM 0 HD13 ILE A 66 -1.825 6.772 9.223 1.00 63.33 H new ATOM 509 N ASP A 67 0.766 9.045 6.139 1.00 34.52 N ATOM 510 CA ASP A 67 1.795 9.022 5.095 1.00 53.35 C ATOM 511 C ASP A 67 1.759 7.696 4.307 1.00 42.50 C ATOM 512 O ASP A 67 0.962 6.802 4.604 1.00 22.30 O ATOM 513 CB ASP A 67 3.178 9.223 5.723 1.00 61.21 C ATOM 514 CG ASP A 67 3.589 8.048 6.590 1.00 63.33 C ATOM 515 OD1 ASP A 67 2.986 7.859 7.667 1.00 1.32 O ATOM 516 OD2 ASP A 67 4.502 7.296 6.185 1.00 33.12 O ATOM 0 H ASP A 67 0.996 8.492 6.964 1.00 34.52 H new ATOM 0 HA ASP A 67 1.593 9.835 4.398 1.00 53.35 H new ATOM 0 HB2 ASP A 67 3.916 9.366 4.934 1.00 61.21 H new ATOM 0 HB3 ASP A 67 3.174 10.132 6.324 1.00 61.21 H new ATOM 521 N CYS A 68 2.639 7.576 3.310 1.00 53.12 N ATOM 522 CA CYS A 68 2.708 6.373 2.464 1.00 54.33 C ATOM 523 C CYS A 68 3.022 5.111 3.282 1.00 31.24 C ATOM 524 O CYS A 68 2.299 4.115 3.211 1.00 50.15 O ATOM 525 CB CYS A 68 3.769 6.554 1.370 1.00 34.14 C ATOM 526 SG CYS A 68 5.443 6.830 2.004 1.00 33.30 S ATOM 0 H CYS A 68 3.317 8.297 3.065 1.00 53.12 H new ATOM 0 HA CYS A 68 1.727 6.242 2.008 1.00 54.33 H new ATOM 0 HB2 CYS A 68 3.774 5.669 0.734 1.00 34.14 H new ATOM 0 HB3 CYS A 68 3.486 7.398 0.741 1.00 34.14 H new ATOM 0 HG CYS A 68 6.115 5.718 1.954 1.00 33.30 H new ATOM 532 N SER A 69 4.097 5.162 4.068 1.00 74.21 N ATOM 533 CA SER A 69 4.515 4.013 4.888 1.00 53.33 C ATOM 534 C SER A 69 3.526 3.760 6.028 1.00 63.31 C ATOM 535 O SER A 69 3.260 2.615 6.393 1.00 34.12 O ATOM 536 CB SER A 69 5.909 4.246 5.480 1.00 21.52 C ATOM 537 OG SER A 69 6.847 4.580 4.479 1.00 43.51 O ATOM 0 H SER A 69 4.697 5.982 4.158 1.00 74.21 H new ATOM 0 HA SER A 69 4.538 3.141 4.235 1.00 53.33 H new ATOM 0 HB2 SER A 69 5.863 5.046 6.218 1.00 21.52 H new ATOM 0 HB3 SER A 69 6.238 3.348 6.003 1.00 21.52 H new ATOM 0 HG SER A 69 7.443 5.283 4.811 1.00 43.51 H new ATOM 543 N GLY A 70 2.993 4.844 6.588 1.00 52.00 N ATOM 544 CA GLY A 70 2.043 4.751 7.686 1.00 52.10 C ATOM 545 C GLY A 70 0.791 3.950 7.349 1.00 73.30 C ATOM 546 O GLY A 70 0.396 3.071 8.112 1.00 42.14 O ATOM 0 H GLY A 70 3.206 5.798 6.296 1.00 52.00 H new ATOM 0 HA2 GLY A 70 2.536 4.293 8.543 1.00 52.10 H new ATOM 0 HA3 GLY A 70 1.750 5.757 7.987 1.00 52.10 H new ATOM 550 N PHE A 71 0.163 4.251 6.212 1.00 12.53 N ATOM 551 CA PHE A 71 -1.072 3.565 5.804 1.00 63.10 C ATOM 552 C PHE A 71 -0.875 2.042 5.698 1.00 31.01 C ATOM 553 O PHE A 71 -1.591 1.265 6.340 1.00 24.24 O ATOM 554 CB PHE A 71 -1.590 4.119 4.469 1.00 13.11 C ATOM 555 CG PHE A 71 -2.830 3.416 3.967 1.00 5.23 C ATOM 556 CD1 PHE A 71 -4.029 3.515 4.662 1.00 40.11 C ATOM 557 CD2 PHE A 71 -2.793 2.642 2.813 1.00 21.45 C ATOM 558 CE1 PHE A 71 -5.161 2.863 4.214 1.00 24.12 C ATOM 559 CE2 PHE A 71 -3.924 1.986 2.366 1.00 61.01 C ATOM 560 CZ PHE A 71 -5.109 2.096 3.066 1.00 51.33 C ATOM 0 H PHE A 71 0.485 4.963 5.556 1.00 12.53 H new ATOM 0 HA PHE A 71 -1.813 3.755 6.581 1.00 63.10 H new ATOM 0 HB2 PHE A 71 -1.805 5.181 4.584 1.00 13.11 H new ATOM 0 HB3 PHE A 71 -0.804 4.033 3.719 1.00 13.11 H new ATOM 0 HD1 PHE A 71 -4.076 4.109 5.563 1.00 40.11 H new ATOM 0 HD2 PHE A 71 -1.870 2.552 2.260 1.00 21.45 H new ATOM 0 HE1 PHE A 71 -6.088 2.953 4.761 1.00 24.12 H new ATOM 0 HE2 PHE A 71 -3.881 1.387 1.468 1.00 61.01 H new ATOM 0 HZ PHE A 71 -5.993 1.584 2.717 1.00 51.33 H new ATOM 570 N VAL A 72 0.095 1.615 4.887 1.00 34.40 N ATOM 571 CA VAL A 72 0.385 0.187 4.722 1.00 42.52 C ATOM 572 C VAL A 72 0.782 -0.461 6.062 1.00 22.41 C ATOM 573 O VAL A 72 0.371 -1.584 6.369 1.00 42.24 O ATOM 574 CB VAL A 72 1.496 -0.047 3.663 1.00 5.44 C ATOM 575 CG1 VAL A 72 2.808 0.614 4.073 1.00 55.51 C ATOM 576 CG2 VAL A 72 1.696 -1.537 3.404 1.00 60.13 C ATOM 0 H VAL A 72 0.691 2.233 4.336 1.00 34.40 H new ATOM 0 HA VAL A 72 -0.530 -0.288 4.368 1.00 42.52 H new ATOM 0 HB VAL A 72 1.168 0.420 2.734 1.00 5.44 H new ATOM 0 HG11 VAL A 72 3.563 0.430 3.309 1.00 55.51 H new ATOM 0 HG12 VAL A 72 2.656 1.688 4.181 1.00 55.51 H new ATOM 0 HG13 VAL A 72 3.144 0.198 5.023 1.00 55.51 H new ATOM 0 HG21 VAL A 72 2.479 -1.675 2.659 1.00 60.13 H new ATOM 0 HG22 VAL A 72 1.986 -2.032 4.331 1.00 60.13 H new ATOM 0 HG23 VAL A 72 0.766 -1.971 3.037 1.00 60.13 H new ATOM 586 N GLN A 73 1.559 0.270 6.861 1.00 3.15 N ATOM 587 CA GLN A 73 1.952 -0.176 8.202 1.00 34.40 C ATOM 588 C GLN A 73 0.724 -0.482 9.073 1.00 1.02 C ATOM 589 O GLN A 73 0.567 -1.600 9.568 1.00 12.30 O ATOM 590 CB GLN A 73 2.824 0.898 8.870 1.00 23.31 C ATOM 591 CG GLN A 73 3.092 0.669 10.357 1.00 50.52 C ATOM 592 CD GLN A 73 3.944 1.766 10.985 1.00 42.41 C ATOM 593 OE1 GLN A 73 4.663 1.535 11.945 1.00 33.21 O ATOM 594 NE2 GLN A 73 3.877 2.970 10.444 1.00 44.20 N ATOM 0 H GLN A 73 1.933 1.183 6.601 1.00 3.15 H new ATOM 0 HA GLN A 73 2.525 -1.098 8.102 1.00 34.40 H new ATOM 0 HB2 GLN A 73 3.779 0.949 8.346 1.00 23.31 H new ATOM 0 HB3 GLN A 73 2.341 1.867 8.747 1.00 23.31 H new ATOM 0 HG2 GLN A 73 2.141 0.607 10.886 1.00 50.52 H new ATOM 0 HG3 GLN A 73 3.592 -0.291 10.487 1.00 50.52 H new ATOM 0 HE21 GLN A 73 3.268 3.136 9.643 1.00 44.20 H new ATOM 0 HE22 GLN A 73 4.434 3.733 10.828 1.00 44.20 H new ATOM 603 N ARG A 74 -0.150 0.513 9.237 1.00 12.25 N ATOM 604 CA ARG A 74 -1.367 0.367 10.052 1.00 34.44 C ATOM 605 C ARG A 74 -2.215 -0.824 9.578 1.00 74.10 C ATOM 606 O ARG A 74 -2.620 -1.669 10.376 1.00 50.31 O ATOM 607 CB ARG A 74 -2.212 1.651 9.990 1.00 43.32 C ATOM 608 CG ARG A 74 -1.502 2.900 10.507 1.00 73.13 C ATOM 609 CD ARG A 74 -1.151 2.793 11.987 1.00 44.54 C ATOM 610 NE ARG A 74 -0.553 4.023 12.501 1.00 4.33 N ATOM 611 CZ ARG A 74 -0.586 4.387 13.755 1.00 52.14 C ATOM 612 NH1 ARG A 74 -1.167 3.645 14.642 1.00 24.04 N ATOM 613 NH2 ARG A 74 -0.037 5.498 14.121 1.00 3.33 N ATOM 0 H ARG A 74 -0.040 1.435 8.815 1.00 12.25 H new ATOM 0 HA ARG A 74 -1.054 0.186 11.080 1.00 34.44 H new ATOM 0 HB2 ARG A 74 -2.516 1.822 8.957 1.00 43.32 H new ATOM 0 HB3 ARG A 74 -3.123 1.500 10.569 1.00 43.32 H new ATOM 0 HG2 ARG A 74 -0.591 3.063 9.930 1.00 73.13 H new ATOM 0 HG3 ARG A 74 -2.139 3.770 10.349 1.00 73.13 H new ATOM 0 HD2 ARG A 74 -2.051 2.563 12.557 1.00 44.54 H new ATOM 0 HD3 ARG A 74 -0.459 1.964 12.136 1.00 44.54 H new ATOM 0 HE ARG A 74 -0.079 4.637 11.838 1.00 4.33 H new ATOM 0 HH11 ARG A 74 -1.605 2.767 14.364 1.00 24.04 H new ATOM 0 HH12 ARG A 74 -1.187 3.939 15.619 1.00 24.04 H new ATOM 0 HH21 ARG A 74 0.423 6.092 13.430 1.00 3.33 H new ATOM 0 HH22 ARG A 74 -0.063 5.781 15.100 1.00 3.33 H new ATOM 627 N THR A 75 -2.462 -0.881 8.274 1.00 25.35 N ATOM 628 CA THR A 75 -3.288 -1.936 7.669 1.00 72.31 C ATOM 629 C THR A 75 -2.861 -3.346 8.116 1.00 3.43 C ATOM 630 O THR A 75 -3.627 -4.068 8.761 1.00 34.21 O ATOM 631 CB THR A 75 -3.234 -1.857 6.118 1.00 22.53 C ATOM 632 OG1 THR A 75 -3.743 -0.590 5.672 1.00 32.51 O ATOM 633 CG2 THR A 75 -4.039 -2.980 5.467 1.00 73.05 C ATOM 0 H THR A 75 -2.100 -0.203 7.603 1.00 25.35 H new ATOM 0 HA THR A 75 -4.307 -1.764 8.015 1.00 72.31 H new ATOM 0 HB THR A 75 -2.191 -1.966 5.820 1.00 22.53 H new ATOM 0 HG1 THR A 75 -3.083 0.111 5.856 1.00 32.51 H new ATOM 0 HG21 THR A 75 -3.977 -2.891 4.382 1.00 73.05 H new ATOM 0 HG22 THR A 75 -3.634 -3.944 5.776 1.00 73.05 H new ATOM 0 HG23 THR A 75 -5.081 -2.908 5.778 1.00 73.05 H new ATOM 641 N PHE A 76 -1.626 -3.727 7.795 1.00 14.02 N ATOM 642 CA PHE A 76 -1.143 -5.090 8.057 1.00 71.23 C ATOM 643 C PHE A 76 -0.988 -5.401 9.558 1.00 2.50 C ATOM 644 O PHE A 76 -1.272 -6.525 9.990 1.00 43.23 O ATOM 645 CB PHE A 76 0.179 -5.339 7.319 1.00 32.12 C ATOM 646 CG PHE A 76 0.012 -5.511 5.828 1.00 65.54 C ATOM 647 CD1 PHE A 76 -0.055 -4.413 4.983 1.00 53.12 C ATOM 648 CD2 PHE A 76 -0.086 -6.781 5.271 1.00 30.45 C ATOM 649 CE1 PHE A 76 -0.218 -4.575 3.622 1.00 64.01 C ATOM 650 CE2 PHE A 76 -0.248 -6.948 3.911 1.00 45.32 C ATOM 651 CZ PHE A 76 -0.315 -5.845 3.084 1.00 15.34 C ATOM 0 H PHE A 76 -0.939 -3.115 7.354 1.00 14.02 H new ATOM 0 HA PHE A 76 -1.907 -5.769 7.677 1.00 71.23 H new ATOM 0 HB2 PHE A 76 0.854 -4.504 7.507 1.00 32.12 H new ATOM 0 HB3 PHE A 76 0.653 -6.231 7.729 1.00 32.12 H new ATOM 0 HD1 PHE A 76 0.021 -3.418 5.396 1.00 53.12 H new ATOM 0 HD2 PHE A 76 -0.035 -7.649 5.912 1.00 30.45 H new ATOM 0 HE1 PHE A 76 -0.270 -3.710 2.977 1.00 64.01 H new ATOM 0 HE2 PHE A 76 -0.322 -7.941 3.494 1.00 45.32 H new ATOM 0 HZ PHE A 76 -0.443 -5.974 2.019 1.00 15.34 H new ATOM 661 N ARG A 77 -0.544 -4.429 10.359 1.00 54.40 N ATOM 662 CA ARG A 77 -0.340 -4.673 11.798 1.00 23.53 C ATOM 663 C ARG A 77 -1.670 -4.820 12.556 1.00 25.11 C ATOM 664 O ARG A 77 -1.777 -5.627 13.479 1.00 62.04 O ATOM 665 CB ARG A 77 0.510 -3.573 12.451 1.00 40.23 C ATOM 666 CG ARG A 77 -0.121 -2.184 12.440 1.00 1.32 C ATOM 667 CD ARG A 77 0.599 -1.238 13.396 1.00 25.05 C ATOM 668 NE ARG A 77 0.385 -1.630 14.787 1.00 22.01 N ATOM 669 CZ ARG A 77 1.256 -1.479 15.750 1.00 13.55 C ATOM 670 NH1 ARG A 77 2.430 -0.985 15.517 1.00 64.20 N ATOM 671 NH2 ARG A 77 0.950 -1.853 16.948 1.00 60.15 N ATOM 0 H ARG A 77 -0.321 -3.483 10.049 1.00 54.40 H new ATOM 0 HA ARG A 77 0.200 -5.617 11.868 1.00 23.53 H new ATOM 0 HB2 ARG A 77 0.713 -3.856 13.484 1.00 40.23 H new ATOM 0 HB3 ARG A 77 1.471 -3.524 11.939 1.00 40.23 H new ATOM 0 HG2 ARG A 77 -0.089 -1.776 11.430 1.00 1.32 H new ATOM 0 HG3 ARG A 77 -1.172 -2.258 12.721 1.00 1.32 H new ATOM 0 HD2 ARG A 77 1.667 -1.237 13.176 1.00 25.05 H new ATOM 0 HD3 ARG A 77 0.241 -0.220 13.243 1.00 25.05 H new ATOM 0 HE ARG A 77 -0.512 -2.054 15.025 1.00 22.01 H new ATOM 0 HH11 ARG A 77 2.687 -0.707 14.570 1.00 64.20 H new ATOM 0 HH12 ARG A 77 3.097 -0.874 16.280 1.00 64.20 H new ATOM 0 HH21 ARG A 77 0.035 -2.262 17.136 1.00 60.15 H new ATOM 0 HH22 ARG A 77 1.623 -1.739 17.706 1.00 60.15 H new ATOM 685 N GLU A 78 -2.684 -4.050 12.169 1.00 45.42 N ATOM 686 CA GLU A 78 -3.990 -4.116 12.840 1.00 12.05 C ATOM 687 C GLU A 78 -4.802 -5.338 12.387 1.00 12.22 C ATOM 688 O GLU A 78 -5.695 -5.801 13.102 1.00 75.30 O ATOM 689 CB GLU A 78 -4.790 -2.830 12.590 1.00 30.22 C ATOM 690 CG GLU A 78 -4.087 -1.559 13.061 1.00 23.52 C ATOM 691 CD GLU A 78 -3.683 -1.607 14.528 1.00 22.21 C ATOM 692 OE1 GLU A 78 -4.570 -1.780 15.390 1.00 0.24 O ATOM 693 OE2 GLU A 78 -2.482 -1.444 14.828 1.00 61.11 O ATOM 0 H GLU A 78 -2.633 -3.378 11.403 1.00 45.42 H new ATOM 0 HA GLU A 78 -3.801 -4.218 13.909 1.00 12.05 H new ATOM 0 HB2 GLU A 78 -4.996 -2.745 11.523 1.00 30.22 H new ATOM 0 HB3 GLU A 78 -5.752 -2.909 13.096 1.00 30.22 H new ATOM 0 HG2 GLU A 78 -3.199 -1.395 12.451 1.00 23.52 H new ATOM 0 HG3 GLU A 78 -4.746 -0.706 12.900 1.00 23.52 H new ATOM 700 N GLN A 79 -4.507 -5.850 11.194 1.00 71.02 N ATOM 701 CA GLN A 79 -5.191 -7.043 10.673 1.00 11.21 C ATOM 702 C GLN A 79 -4.440 -8.339 11.020 1.00 34.10 C ATOM 703 O GLN A 79 -4.888 -9.134 11.850 1.00 52.14 O ATOM 704 CB GLN A 79 -5.333 -6.947 9.151 1.00 54.13 C ATOM 705 CG GLN A 79 -6.219 -5.805 8.676 1.00 31.35 C ATOM 706 CD GLN A 79 -6.178 -5.627 7.172 1.00 61.13 C ATOM 707 OE1 GLN A 79 -6.402 -4.418 6.717 1.00 23.15 O flip ATOM 708 NE2 GLN A 79 -5.948 -6.569 6.426 1.00 65.22 N flip ATOM 0 H GLN A 79 -3.802 -5.462 10.567 1.00 71.02 H new ATOM 0 HA GLN A 79 -6.173 -7.078 11.145 1.00 11.21 H new ATOM 0 HB2 GLN A 79 -4.342 -6.830 8.712 1.00 54.13 H new ATOM 0 HB3 GLN A 79 -5.739 -7.886 8.776 1.00 54.13 H new ATOM 0 HG2 GLN A 79 -7.246 -5.992 8.989 1.00 31.35 H new ATOM 0 HG3 GLN A 79 -5.903 -4.879 9.157 1.00 31.35 H new ATOM 0 HE21 GLN A 79 -5.778 -7.497 6.814 1.00 65.22 H new ATOM 0 HE22 GLN A 79 -5.926 -6.426 5.416 1.00 65.22 H new ATOM 717 N PHE A 80 -3.287 -8.534 10.385 1.00 0.35 N ATOM 718 CA PHE A 80 -2.534 -9.791 10.498 1.00 54.12 C ATOM 719 C PHE A 80 -1.534 -9.761 11.663 1.00 42.15 C ATOM 720 O PHE A 80 -0.947 -10.786 12.021 1.00 62.25 O ATOM 721 CB PHE A 80 -1.784 -10.063 9.184 1.00 22.15 C ATOM 722 CG PHE A 80 -2.651 -9.944 7.950 1.00 55.24 C ATOM 723 CD1 PHE A 80 -3.531 -10.959 7.595 1.00 63.34 C ATOM 724 CD2 PHE A 80 -2.584 -8.813 7.146 1.00 23.44 C ATOM 725 CE1 PHE A 80 -4.322 -10.847 6.466 1.00 25.51 C ATOM 726 CE2 PHE A 80 -3.373 -8.698 6.015 1.00 2.00 C ATOM 727 CZ PHE A 80 -4.243 -9.716 5.676 1.00 41.41 C ATOM 0 H PHE A 80 -2.848 -7.837 9.783 1.00 0.35 H new ATOM 0 HA PHE A 80 -3.250 -10.589 10.696 1.00 54.12 H new ATOM 0 HB2 PHE A 80 -0.952 -9.364 9.100 1.00 22.15 H new ATOM 0 HB3 PHE A 80 -1.357 -11.065 9.221 1.00 22.15 H new ATOM 0 HD1 PHE A 80 -3.598 -11.846 8.208 1.00 63.34 H new ATOM 0 HD2 PHE A 80 -1.907 -8.013 7.407 1.00 23.44 H new ATOM 0 HE1 PHE A 80 -5.002 -11.644 6.202 1.00 25.51 H new ATOM 0 HE2 PHE A 80 -3.309 -7.814 5.398 1.00 2.00 H new ATOM 0 HZ PHE A 80 -4.861 -9.628 4.795 1.00 41.41 H new ATOM 737 N GLY A 81 -1.344 -8.585 12.253 1.00 35.14 N ATOM 738 CA GLY A 81 -0.337 -8.424 13.299 1.00 62.54 C ATOM 739 C GLY A 81 1.068 -8.282 12.732 1.00 14.10 C ATOM 740 O GLY A 81 2.059 -8.438 13.447 1.00 20.01 O ATOM 0 H GLY A 81 -1.867 -7.738 12.029 1.00 35.14 H new ATOM 0 HA2 GLY A 81 -0.575 -7.545 13.897 1.00 62.54 H new ATOM 0 HA3 GLY A 81 -0.371 -9.284 13.968 1.00 62.54 H new ATOM 744 N LEU A 82 1.148 -7.983 11.438 1.00 12.33 N ATOM 745 CA LEU A 82 2.429 -7.831 10.752 1.00 4.43 C ATOM 746 C LEU A 82 3.103 -6.515 11.157 1.00 72.12 C ATOM 747 O LEU A 82 2.634 -5.428 10.812 1.00 52.22 O ATOM 748 CB LEU A 82 2.222 -7.876 9.237 1.00 65.53 C ATOM 749 CG LEU A 82 3.512 -7.904 8.404 1.00 5.15 C ATOM 750 CD1 LEU A 82 4.227 -9.244 8.555 1.00 34.33 C ATOM 751 CD2 LEU A 82 3.209 -7.617 6.943 1.00 20.45 C ATOM 0 H LEU A 82 0.335 -7.840 10.839 1.00 12.33 H new ATOM 0 HA LEU A 82 3.080 -8.655 11.044 1.00 4.43 H new ATOM 0 HB2 LEU A 82 1.631 -8.759 8.993 1.00 65.53 H new ATOM 0 HB3 LEU A 82 1.635 -7.007 8.940 1.00 65.53 H new ATOM 0 HG LEU A 82 4.176 -7.124 8.776 1.00 5.15 H new ATOM 0 HD11 LEU A 82 5.138 -9.240 7.956 1.00 34.33 H new ATOM 0 HD12 LEU A 82 4.482 -9.404 9.602 1.00 34.33 H new ATOM 0 HD13 LEU A 82 3.572 -10.046 8.215 1.00 34.33 H new ATOM 0 HD21 LEU A 82 4.135 -7.641 6.368 1.00 20.45 H new ATOM 0 HD22 LEU A 82 2.523 -8.372 6.558 1.00 20.45 H new ATOM 0 HD23 LEU A 82 2.751 -6.632 6.853 1.00 20.45 H new ATOM 763 N GLU A 83 4.202 -6.620 11.886 1.00 43.32 N ATOM 764 CA GLU A 83 4.869 -5.450 12.457 1.00 14.31 C ATOM 765 C GLU A 83 5.714 -4.687 11.420 1.00 32.34 C ATOM 766 O GLU A 83 6.939 -4.820 11.365 1.00 72.25 O ATOM 767 CB GLU A 83 5.723 -5.877 13.658 1.00 32.32 C ATOM 768 CG GLU A 83 6.675 -7.035 13.369 1.00 2.54 C ATOM 769 CD GLU A 83 7.476 -7.437 14.590 1.00 42.03 C ATOM 770 OE1 GLU A 83 8.485 -6.765 14.886 1.00 70.21 O ATOM 771 OE2 GLU A 83 7.093 -8.409 15.271 1.00 15.33 O ATOM 0 H GLU A 83 4.657 -7.507 12.100 1.00 43.32 H new ATOM 0 HA GLU A 83 4.097 -4.757 12.791 1.00 14.31 H new ATOM 0 HB2 GLU A 83 6.304 -5.020 13.999 1.00 32.32 H new ATOM 0 HB3 GLU A 83 5.062 -6.161 14.477 1.00 32.32 H new ATOM 0 HG2 GLU A 83 6.104 -7.892 13.013 1.00 2.54 H new ATOM 0 HG3 GLU A 83 7.356 -6.751 12.567 1.00 2.54 H new ATOM 778 N LEU A 84 5.044 -3.893 10.591 1.00 22.22 N ATOM 779 CA LEU A 84 5.724 -3.058 9.599 1.00 51.52 C ATOM 780 C LEU A 84 6.350 -1.807 10.245 1.00 42.44 C ATOM 781 O LEU A 84 5.790 -1.229 11.180 1.00 22.51 O ATOM 782 CB LEU A 84 4.745 -2.642 8.489 1.00 71.33 C ATOM 783 CG LEU A 84 4.213 -3.792 7.616 1.00 14.32 C ATOM 784 CD1 LEU A 84 3.251 -3.264 6.555 1.00 50.53 C ATOM 785 CD2 LEU A 84 5.365 -4.553 6.964 1.00 70.41 C ATOM 0 H LEU A 84 4.028 -3.808 10.584 1.00 22.22 H new ATOM 0 HA LEU A 84 6.529 -3.651 9.165 1.00 51.52 H new ATOM 0 HB2 LEU A 84 3.897 -2.133 8.947 1.00 71.33 H new ATOM 0 HB3 LEU A 84 5.240 -1.917 7.843 1.00 71.33 H new ATOM 0 HG LEU A 84 3.668 -4.482 8.260 1.00 14.32 H new ATOM 0 HD11 LEU A 84 2.887 -4.094 5.949 1.00 50.53 H new ATOM 0 HD12 LEU A 84 2.408 -2.772 7.041 1.00 50.53 H new ATOM 0 HD13 LEU A 84 3.770 -2.549 5.917 1.00 50.53 H new ATOM 0 HD21 LEU A 84 4.966 -5.362 6.351 1.00 70.41 H new ATOM 0 HD22 LEU A 84 5.942 -3.873 6.337 1.00 70.41 H new ATOM 0 HD23 LEU A 84 6.011 -4.968 7.738 1.00 70.41 H new ATOM 797 N PRO A 85 7.535 -1.385 9.757 1.00 71.41 N ATOM 798 CA PRO A 85 8.233 -0.192 10.265 1.00 63.52 C ATOM 799 C PRO A 85 7.672 1.134 9.707 1.00 10.41 C ATOM 800 O PRO A 85 6.732 1.143 8.908 1.00 50.14 O ATOM 801 CB PRO A 85 9.668 -0.419 9.790 1.00 41.14 C ATOM 802 CG PRO A 85 9.519 -1.183 8.516 1.00 74.21 C ATOM 803 CD PRO A 85 8.300 -2.055 8.686 1.00 64.43 C ATOM 0 HA PRO A 85 8.125 -0.086 11.344 1.00 63.52 H new ATOM 0 HB2 PRO A 85 10.188 0.526 9.629 1.00 41.14 H new ATOM 0 HB3 PRO A 85 10.246 -0.980 10.525 1.00 41.14 H new ATOM 0 HG2 PRO A 85 9.399 -0.507 7.669 1.00 74.21 H new ATOM 0 HG3 PRO A 85 10.405 -1.787 8.319 1.00 74.21 H new ATOM 0 HD2 PRO A 85 7.723 -2.121 7.763 1.00 64.43 H new ATOM 0 HD3 PRO A 85 8.572 -3.073 8.965 1.00 64.43 H new ATOM 811 N ARG A 86 8.272 2.251 10.122 1.00 32.14 N ATOM 812 CA ARG A 86 7.754 3.590 9.793 1.00 25.32 C ATOM 813 C ARG A 86 8.313 4.152 8.467 1.00 43.13 C ATOM 814 O ARG A 86 7.827 5.174 7.974 1.00 54.14 O ATOM 815 CB ARG A 86 8.058 4.575 10.939 1.00 24.12 C ATOM 816 CG ARG A 86 7.153 4.435 12.168 1.00 51.10 C ATOM 817 CD ARG A 86 7.244 3.056 12.819 1.00 54.11 C ATOM 818 NE ARG A 86 8.606 2.714 13.236 1.00 73.23 N ATOM 819 CZ ARG A 86 8.920 1.626 13.886 1.00 3.30 C ATOM 820 NH1 ARG A 86 8.008 0.774 14.229 1.00 10.30 N ATOM 821 NH2 ARG A 86 10.154 1.391 14.196 1.00 1.45 N ATOM 0 H ARG A 86 9.120 2.260 10.689 1.00 32.14 H new ATOM 0 HA ARG A 86 6.677 3.479 9.665 1.00 25.32 H new ATOM 0 HB2 ARG A 86 9.093 4.438 11.251 1.00 24.12 H new ATOM 0 HB3 ARG A 86 7.972 5.592 10.557 1.00 24.12 H new ATOM 0 HG2 ARG A 86 7.423 5.196 12.901 1.00 51.10 H new ATOM 0 HG3 ARG A 86 6.120 4.626 11.876 1.00 51.10 H new ATOM 0 HD2 ARG A 86 6.585 3.024 13.686 1.00 54.11 H new ATOM 0 HD3 ARG A 86 6.884 2.304 12.117 1.00 54.11 H new ATOM 0 HE ARG A 86 9.355 3.366 13.004 1.00 73.23 H new ATOM 0 HH11 ARG A 86 7.032 0.949 13.992 1.00 10.30 H new ATOM 0 HH12 ARG A 86 8.266 -0.072 14.737 1.00 10.30 H new ATOM 0 HH21 ARG A 86 10.881 2.056 13.933 1.00 1.45 H new ATOM 0 HH22 ARG A 86 10.399 0.541 14.704 1.00 1.45 H new ATOM 835 N SER A 87 9.342 3.517 7.902 1.00 51.53 N ATOM 836 CA SER A 87 9.920 3.972 6.620 1.00 14.11 C ATOM 837 C SER A 87 9.735 2.931 5.509 1.00 34.53 C ATOM 838 O SER A 87 9.932 1.733 5.725 1.00 12.42 O ATOM 839 CB SER A 87 11.416 4.288 6.766 1.00 23.21 C ATOM 840 OG SER A 87 11.992 4.646 5.515 1.00 74.33 O ATOM 0 H SER A 87 9.794 2.694 8.301 1.00 51.53 H new ATOM 0 HA SER A 87 9.383 4.879 6.343 1.00 14.11 H new ATOM 0 HB2 SER A 87 11.550 5.103 7.477 1.00 23.21 H new ATOM 0 HB3 SER A 87 11.935 3.421 7.173 1.00 23.21 H new ATOM 0 HG SER A 87 12.944 4.844 5.638 1.00 74.33 H new ATOM 846 N THR A 88 9.372 3.404 4.314 1.00 61.42 N ATOM 847 CA THR A 88 9.172 2.530 3.150 1.00 54.10 C ATOM 848 C THR A 88 10.433 1.705 2.842 1.00 74.44 C ATOM 849 O THR A 88 10.354 0.524 2.503 1.00 42.52 O ATOM 850 CB THR A 88 8.806 3.346 1.880 1.00 14.52 C ATOM 851 OG1 THR A 88 7.829 4.350 2.187 1.00 43.13 O ATOM 852 CG2 THR A 88 8.251 2.442 0.788 1.00 41.14 C ATOM 0 H THR A 88 9.209 4.393 4.124 1.00 61.42 H new ATOM 0 HA THR A 88 8.349 1.863 3.408 1.00 54.10 H new ATOM 0 HB THR A 88 9.721 3.819 1.525 1.00 14.52 H new ATOM 0 HG1 THR A 88 7.309 4.072 2.969 1.00 43.13 H new ATOM 0 HG21 THR A 88 8.004 3.040 -0.089 1.00 41.14 H new ATOM 0 HG22 THR A 88 8.998 1.696 0.519 1.00 41.14 H new ATOM 0 HG23 THR A 88 7.353 1.942 1.151 1.00 41.14 H new ATOM 860 N TYR A 89 11.598 2.335 2.976 1.00 53.31 N ATOM 861 CA TYR A 89 12.874 1.676 2.672 1.00 4.41 C ATOM 862 C TYR A 89 13.143 0.495 3.613 1.00 32.31 C ATOM 863 O TYR A 89 13.729 -0.509 3.207 1.00 1.42 O ATOM 864 CB TYR A 89 14.022 2.689 2.730 1.00 33.31 C ATOM 865 CG TYR A 89 13.966 3.714 1.612 1.00 71.43 C ATOM 866 CD1 TYR A 89 14.528 3.439 0.371 1.00 32.44 C ATOM 867 CD2 TYR A 89 13.338 4.943 1.790 1.00 65.42 C ATOM 868 CE1 TYR A 89 14.471 4.357 -0.657 1.00 24.24 C ATOM 869 CE2 TYR A 89 13.276 5.865 0.762 1.00 72.10 C ATOM 870 CZ TYR A 89 13.845 5.567 -0.457 1.00 62.55 C ATOM 871 OH TYR A 89 13.781 6.478 -1.484 1.00 74.44 O ATOM 0 H TYR A 89 11.689 3.300 3.293 1.00 53.31 H new ATOM 0 HA TYR A 89 12.809 1.275 1.660 1.00 4.41 H new ATOM 0 HB2 TYR A 89 13.996 3.205 3.690 1.00 33.31 H new ATOM 0 HB3 TYR A 89 14.972 2.157 2.680 1.00 33.31 H new ATOM 0 HD1 TYR A 89 15.018 2.490 0.209 1.00 32.44 H new ATOM 0 HD2 TYR A 89 12.893 5.180 2.745 1.00 65.42 H new ATOM 0 HE1 TYR A 89 14.915 4.128 -1.614 1.00 24.24 H new ATOM 0 HE2 TYR A 89 12.784 6.814 0.914 1.00 72.10 H new ATOM 0 HH TYR A 89 13.306 7.280 -1.181 1.00 74.44 H new ATOM 881 N GLU A 90 12.700 0.615 4.862 1.00 34.04 N ATOM 882 CA GLU A 90 12.815 -0.480 5.831 1.00 62.12 C ATOM 883 C GLU A 90 11.897 -1.650 5.438 1.00 34.24 C ATOM 884 O GLU A 90 12.253 -2.823 5.589 1.00 23.24 O ATOM 885 CB GLU A 90 12.437 0.007 7.233 1.00 4.43 C ATOM 886 CG GLU A 90 13.240 1.204 7.729 1.00 32.23 C ATOM 887 CD GLU A 90 12.759 1.695 9.085 1.00 31.43 C ATOM 888 OE1 GLU A 90 11.634 2.229 9.162 1.00 73.21 O ATOM 889 OE2 GLU A 90 13.502 1.555 10.082 1.00 44.20 O ATOM 0 H GLU A 90 12.258 1.457 5.230 1.00 34.04 H new ATOM 0 HA GLU A 90 13.850 -0.821 5.832 1.00 62.12 H new ATOM 0 HB2 GLU A 90 11.379 0.269 7.239 1.00 4.43 H new ATOM 0 HB3 GLU A 90 12.566 -0.816 7.936 1.00 4.43 H new ATOM 0 HG2 GLU A 90 14.293 0.931 7.796 1.00 32.23 H new ATOM 0 HG3 GLU A 90 13.167 2.014 7.004 1.00 32.23 H new ATOM 896 N GLN A 91 10.710 -1.310 4.937 1.00 32.22 N ATOM 897 CA GLN A 91 9.733 -2.304 4.481 1.00 22.13 C ATOM 898 C GLN A 91 10.268 -3.083 3.266 1.00 53.32 C ATOM 899 O GLN A 91 9.961 -4.259 3.080 1.00 2.33 O ATOM 900 CB GLN A 91 8.406 -1.609 4.122 1.00 45.11 C ATOM 901 CG GLN A 91 7.836 -0.751 5.254 1.00 2.45 C ATOM 902 CD GLN A 91 6.552 -0.022 4.876 1.00 25.22 C ATOM 903 OE1 GLN A 91 6.319 0.298 3.717 1.00 24.24 O ATOM 904 NE2 GLN A 91 5.718 0.269 5.860 1.00 42.01 N ATOM 0 H GLN A 91 10.398 -0.344 4.835 1.00 32.22 H new ATOM 0 HA GLN A 91 9.560 -3.013 5.291 1.00 22.13 H new ATOM 0 HB2 GLN A 91 8.560 -0.981 3.244 1.00 45.11 H new ATOM 0 HB3 GLN A 91 7.672 -2.366 3.847 1.00 45.11 H new ATOM 0 HG2 GLN A 91 7.643 -1.386 6.119 1.00 2.45 H new ATOM 0 HG3 GLN A 91 8.585 -0.019 5.557 1.00 2.45 H new ATOM 0 HE21 GLN A 91 5.939 -0.011 6.816 1.00 42.01 H new ATOM 0 HE22 GLN A 91 4.853 0.773 5.663 1.00 42.01 H new ATOM 913 N GLN A 92 11.097 -2.419 2.462 1.00 30.53 N ATOM 914 CA GLN A 92 11.701 -3.037 1.270 1.00 54.31 C ATOM 915 C GLN A 92 12.659 -4.191 1.621 1.00 42.31 C ATOM 916 O GLN A 92 13.139 -4.895 0.733 1.00 2.24 O ATOM 917 CB GLN A 92 12.471 -1.988 0.453 1.00 41.52 C ATOM 918 CG GLN A 92 11.612 -0.838 -0.063 1.00 4.32 C ATOM 919 CD GLN A 92 12.397 0.157 -0.908 1.00 3.11 C ATOM 920 OE1 GLN A 92 11.870 0.766 -1.831 1.00 72.40 O ATOM 921 NE2 GLN A 92 13.666 0.337 -0.597 1.00 45.05 N ATOM 0 H GLN A 92 11.370 -1.448 2.611 1.00 30.53 H new ATOM 0 HA GLN A 92 10.877 -3.445 0.685 1.00 54.31 H new ATOM 0 HB2 GLN A 92 13.271 -1.580 1.071 1.00 41.52 H new ATOM 0 HB3 GLN A 92 12.944 -2.482 -0.396 1.00 41.52 H new ATOM 0 HG2 GLN A 92 10.791 -1.242 -0.656 1.00 4.32 H new ATOM 0 HG3 GLN A 92 11.167 -0.316 0.784 1.00 4.32 H new ATOM 0 HE21 GLN A 92 14.080 -0.183 0.177 1.00 45.05 H new ATOM 0 HE22 GLN A 92 14.233 0.996 -1.130 1.00 45.05 H new ATOM 930 N GLU A 93 12.964 -4.372 2.905 1.00 54.22 N ATOM 931 CA GLU A 93 13.911 -5.414 3.331 1.00 43.15 C ATOM 932 C GLU A 93 13.203 -6.681 3.840 1.00 51.34 C ATOM 933 O GLU A 93 13.855 -7.665 4.194 1.00 23.14 O ATOM 934 CB GLU A 93 14.843 -4.857 4.414 1.00 22.44 C ATOM 935 CG GLU A 93 15.569 -3.586 3.987 1.00 5.21 C ATOM 936 CD GLU A 93 16.620 -3.140 4.986 1.00 11.33 C ATOM 937 OE1 GLU A 93 16.265 -2.864 6.151 1.00 22.13 O ATOM 938 OE2 GLU A 93 17.810 -3.063 4.610 1.00 14.31 O ATOM 0 H GLU A 93 12.575 -3.817 3.668 1.00 54.22 H new ATOM 0 HA GLU A 93 14.492 -5.704 2.456 1.00 43.15 H new ATOM 0 HB2 GLU A 93 14.262 -4.651 5.313 1.00 22.44 H new ATOM 0 HB3 GLU A 93 15.579 -5.617 4.677 1.00 22.44 H new ATOM 0 HG2 GLU A 93 16.043 -3.752 3.019 1.00 5.21 H new ATOM 0 HG3 GLU A 93 14.841 -2.786 3.852 1.00 5.21 H new ATOM 945 N MET A 94 11.871 -6.667 3.870 1.00 70.43 N ATOM 946 CA MET A 94 11.090 -7.845 4.284 1.00 15.34 C ATOM 947 C MET A 94 10.272 -8.400 3.108 1.00 64.54 C ATOM 948 O MET A 94 9.945 -7.675 2.168 1.00 43.24 O ATOM 949 CB MET A 94 10.176 -7.507 5.474 1.00 74.41 C ATOM 950 CG MET A 94 9.246 -6.330 5.236 1.00 1.23 C ATOM 951 SD MET A 94 8.224 -5.958 6.674 1.00 63.14 S ATOM 952 CE MET A 94 9.469 -5.604 7.914 1.00 14.32 C ATOM 0 H MET A 94 11.306 -5.857 3.614 1.00 70.43 H new ATOM 0 HA MET A 94 11.790 -8.617 4.604 1.00 15.34 H new ATOM 0 HB2 MET A 94 9.577 -8.385 5.717 1.00 74.41 H new ATOM 0 HB3 MET A 94 10.797 -7.294 6.344 1.00 74.41 H new ATOM 0 HG2 MET A 94 9.836 -5.451 4.976 1.00 1.23 H new ATOM 0 HG3 MET A 94 8.603 -6.546 4.383 1.00 1.23 H new ATOM 0 HE1 MET A 94 8.989 -5.204 8.807 1.00 14.32 H new ATOM 0 HE2 MET A 94 10.001 -6.521 8.167 1.00 14.32 H new ATOM 0 HE3 MET A 94 10.175 -4.871 7.522 1.00 14.32 H new ATOM 962 N GLY A 95 9.947 -9.689 3.165 1.00 72.34 N ATOM 963 CA GLY A 95 9.285 -10.343 2.040 1.00 2.21 C ATOM 964 C GLY A 95 10.220 -10.563 0.850 1.00 14.11 C ATOM 965 O GLY A 95 11.388 -10.161 0.884 1.00 55.13 O ATOM 0 H GLY A 95 10.128 -10.294 3.966 1.00 72.34 H new ATOM 0 HA2 GLY A 95 8.888 -11.304 2.367 1.00 2.21 H new ATOM 0 HA3 GLY A 95 8.436 -9.738 1.722 1.00 2.21 H new ATOM 969 N LYS A 96 9.718 -11.206 -0.204 1.00 23.32 N ATOM 970 CA LYS A 96 10.517 -11.453 -1.416 1.00 54.32 C ATOM 971 C LYS A 96 9.902 -10.771 -2.648 1.00 3.54 C ATOM 972 O LYS A 96 8.683 -10.610 -2.740 1.00 75.23 O ATOM 973 CB LYS A 96 10.679 -12.961 -1.665 1.00 4.43 C ATOM 974 CG LYS A 96 11.598 -13.658 -0.661 1.00 74.13 C ATOM 975 CD LYS A 96 12.991 -13.027 -0.648 1.00 53.22 C ATOM 976 CE LYS A 96 13.950 -13.767 0.276 1.00 13.50 C ATOM 977 NZ LYS A 96 14.200 -15.160 -0.176 1.00 14.25 N ATOM 0 H LYS A 96 8.765 -11.567 -0.249 1.00 23.32 H new ATOM 0 HA LYS A 96 11.503 -11.018 -1.250 1.00 54.32 H new ATOM 0 HB2 LYS A 96 9.697 -13.433 -1.632 1.00 4.43 H new ATOM 0 HB3 LYS A 96 11.072 -13.113 -2.670 1.00 4.43 H new ATOM 0 HG2 LYS A 96 11.161 -13.600 0.336 1.00 74.13 H new ATOM 0 HG3 LYS A 96 11.678 -14.716 -0.912 1.00 74.13 H new ATOM 0 HD2 LYS A 96 13.395 -13.023 -1.660 1.00 53.22 H new ATOM 0 HD3 LYS A 96 12.914 -11.987 -0.331 1.00 53.22 H new ATOM 0 HE2 LYS A 96 14.896 -13.227 0.324 1.00 13.50 H new ATOM 0 HE3 LYS A 96 13.540 -13.782 1.286 1.00 13.50 H new ATOM 0 HZ1 LYS A 96 15.002 -15.558 0.353 1.00 14.25 H new ATOM 0 HZ2 LYS A 96 13.352 -15.738 -0.006 1.00 14.25 H new ATOM 0 HZ3 LYS A 96 14.421 -15.161 -1.192 1.00 14.25 H new ATOM 991 N SER A 97 10.764 -10.385 -3.590 1.00 75.24 N ATOM 992 CA SER A 97 10.354 -9.600 -4.765 1.00 3.22 C ATOM 993 C SER A 97 9.645 -10.441 -5.839 1.00 30.55 C ATOM 994 O SER A 97 9.852 -11.652 -5.949 1.00 13.32 O ATOM 995 CB SER A 97 11.572 -8.899 -5.389 1.00 60.11 C ATOM 996 OG SER A 97 12.532 -9.838 -5.850 1.00 11.31 O ATOM 0 H SER A 97 11.760 -10.604 -3.565 1.00 75.24 H new ATOM 0 HA SER A 97 9.636 -8.864 -4.405 1.00 3.22 H new ATOM 0 HB2 SER A 97 11.247 -8.272 -6.219 1.00 60.11 H new ATOM 0 HB3 SER A 97 12.031 -8.240 -4.652 1.00 60.11 H new ATOM 0 HG SER A 97 13.293 -9.362 -6.243 1.00 11.31 H new ATOM 1002 N VAL A 98 8.810 -9.765 -6.632 1.00 10.14 N ATOM 1003 CA VAL A 98 8.057 -10.391 -7.725 1.00 53.12 C ATOM 1004 C VAL A 98 7.892 -9.435 -8.921 1.00 31.11 C ATOM 1005 O VAL A 98 7.853 -8.211 -8.757 1.00 70.44 O ATOM 1006 CB VAL A 98 6.654 -10.869 -7.254 1.00 51.12 C ATOM 1007 CG1 VAL A 98 6.748 -12.229 -6.569 1.00 55.12 C ATOM 1008 CG2 VAL A 98 6.012 -9.844 -6.317 1.00 73.02 C ATOM 0 H VAL A 98 8.636 -8.765 -6.535 1.00 10.14 H new ATOM 0 HA VAL A 98 8.638 -11.257 -8.042 1.00 53.12 H new ATOM 0 HB VAL A 98 6.021 -10.969 -8.136 1.00 51.12 H new ATOM 0 HG11 VAL A 98 5.755 -12.544 -6.248 1.00 55.12 H new ATOM 0 HG12 VAL A 98 7.152 -12.961 -7.268 1.00 55.12 H new ATOM 0 HG13 VAL A 98 7.404 -12.155 -5.701 1.00 55.12 H new ATOM 0 HG21 VAL A 98 5.032 -10.202 -6.002 1.00 73.02 H new ATOM 0 HG22 VAL A 98 6.646 -9.705 -5.441 1.00 73.02 H new ATOM 0 HG23 VAL A 98 5.900 -8.894 -6.839 1.00 73.02 H new ATOM 1018 N SER A 99 7.808 -10.001 -10.126 1.00 4.41 N ATOM 1019 CA SER A 99 7.625 -9.208 -11.353 1.00 21.52 C ATOM 1020 C SER A 99 6.143 -9.125 -11.757 1.00 13.50 C ATOM 1021 O SER A 99 5.276 -9.693 -11.096 1.00 5.45 O ATOM 1022 CB SER A 99 8.440 -9.813 -12.509 1.00 44.14 C ATOM 1023 OG SER A 99 8.229 -9.094 -13.717 1.00 21.11 O ATOM 0 H SER A 99 7.863 -11.007 -10.283 1.00 4.41 H new ATOM 0 HA SER A 99 7.981 -8.199 -11.145 1.00 21.52 H new ATOM 0 HB2 SER A 99 9.500 -9.801 -12.256 1.00 44.14 H new ATOM 0 HB3 SER A 99 8.158 -10.856 -12.650 1.00 44.14 H new ATOM 0 HG SER A 99 8.760 -9.498 -14.435 1.00 21.11 H new ATOM 1029 N ARG A 100 5.868 -8.434 -12.866 1.00 50.30 N ATOM 1030 CA ARG A 100 4.492 -8.214 -13.350 1.00 34.44 C ATOM 1031 C ARG A 100 3.692 -9.525 -13.453 1.00 11.25 C ATOM 1032 O ARG A 100 2.535 -9.595 -13.042 1.00 73.25 O ATOM 1033 CB ARG A 100 4.529 -7.527 -14.724 1.00 33.23 C ATOM 1034 CG ARG A 100 5.240 -6.177 -14.726 1.00 42.14 C ATOM 1035 CD ARG A 100 4.441 -5.097 -13.999 1.00 14.41 C ATOM 1036 NE ARG A 100 3.175 -4.794 -14.673 1.00 72.54 N ATOM 1037 CZ ARG A 100 3.034 -3.876 -15.599 1.00 3.55 C ATOM 1038 NH1 ARG A 100 4.059 -3.209 -16.033 1.00 62.43 N ATOM 1039 NH2 ARG A 100 1.867 -3.642 -16.112 1.00 63.11 N ATOM 0 H ARG A 100 6.585 -8.011 -13.455 1.00 50.30 H new ATOM 0 HA ARG A 100 3.989 -7.577 -12.622 1.00 34.44 H new ATOM 0 HB2 ARG A 100 5.024 -8.188 -15.435 1.00 33.23 H new ATOM 0 HB3 ARG A 100 3.507 -7.388 -15.076 1.00 33.23 H new ATOM 0 HG2 ARG A 100 6.216 -6.283 -14.253 1.00 42.14 H new ATOM 0 HG3 ARG A 100 5.416 -5.864 -15.755 1.00 42.14 H new ATOM 0 HD2 ARG A 100 4.238 -5.423 -12.979 1.00 14.41 H new ATOM 0 HD3 ARG A 100 5.040 -4.189 -13.930 1.00 14.41 H new ATOM 0 HE ARG A 100 2.351 -5.332 -14.405 1.00 72.54 H new ATOM 0 HH11 ARG A 100 4.987 -3.396 -15.654 1.00 62.43 H new ATOM 0 HH12 ARG A 100 3.937 -2.497 -16.754 1.00 62.43 H new ATOM 0 HH21 ARG A 100 1.055 -4.172 -15.796 1.00 63.11 H new ATOM 0 HH22 ARG A 100 1.760 -2.927 -16.832 1.00 63.11 H new ATOM 1053 N SER A 101 4.328 -10.562 -13.995 1.00 3.41 N ATOM 1054 CA SER A 101 3.667 -11.861 -14.221 1.00 13.43 C ATOM 1055 C SER A 101 3.672 -12.740 -12.957 1.00 61.21 C ATOM 1056 O SER A 101 3.333 -13.920 -13.007 1.00 14.44 O ATOM 1057 CB SER A 101 4.367 -12.604 -15.370 1.00 62.43 C ATOM 1058 OG SER A 101 3.689 -13.802 -15.711 1.00 34.41 O ATOM 0 H SER A 101 5.304 -10.535 -14.289 1.00 3.41 H new ATOM 0 HA SER A 101 2.627 -11.662 -14.481 1.00 13.43 H new ATOM 0 HB2 SER A 101 4.420 -11.955 -16.244 1.00 62.43 H new ATOM 0 HB3 SER A 101 5.392 -12.836 -15.082 1.00 62.43 H new ATOM 0 HG SER A 101 3.309 -14.204 -14.902 1.00 34.41 H new ATOM 1064 N ASN A 102 4.058 -12.162 -11.822 1.00 43.23 N ATOM 1065 CA ASN A 102 4.143 -12.911 -10.556 1.00 51.45 C ATOM 1066 C ASN A 102 3.227 -12.312 -9.474 1.00 53.02 C ATOM 1067 O ASN A 102 3.041 -12.903 -8.409 1.00 23.20 O ATOM 1068 CB ASN A 102 5.589 -12.899 -10.045 1.00 44.23 C ATOM 1069 CG ASN A 102 6.604 -13.317 -11.095 1.00 20.33 C ATOM 1070 OD1 ASN A 102 7.722 -12.813 -11.119 1.00 33.13 O ATOM 1071 ND2 ASN A 102 6.241 -14.244 -11.960 1.00 50.11 N ATOM 0 H ASN A 102 4.318 -11.179 -11.746 1.00 43.23 H new ATOM 0 HA ASN A 102 3.816 -13.932 -10.756 1.00 51.45 H new ATOM 0 HB2 ASN A 102 5.834 -11.897 -9.693 1.00 44.23 H new ATOM 0 HB3 ASN A 102 5.669 -13.567 -9.187 1.00 44.23 H new ATOM 0 HD21 ASN A 102 6.897 -14.560 -12.674 1.00 50.11 H new ATOM 0 HD22 ASN A 102 5.304 -14.645 -11.915 1.00 50.11 H new ATOM 1078 N LEU A 103 2.655 -11.148 -9.767 1.00 54.50 N ATOM 1079 CA LEU A 103 1.891 -10.368 -8.782 1.00 51.45 C ATOM 1080 C LEU A 103 0.604 -11.073 -8.321 1.00 44.34 C ATOM 1081 O LEU A 103 -0.071 -11.756 -9.101 1.00 1.24 O ATOM 1082 CB LEU A 103 1.556 -8.995 -9.375 1.00 62.43 C ATOM 1083 CG LEU A 103 2.775 -8.167 -9.819 1.00 13.41 C ATOM 1084 CD1 LEU A 103 2.343 -6.847 -10.448 1.00 34.50 C ATOM 1085 CD2 LEU A 103 3.717 -7.921 -8.647 1.00 3.23 C ATOM 0 H LEU A 103 2.704 -10.715 -10.689 1.00 54.50 H new ATOM 0 HA LEU A 103 2.518 -10.259 -7.897 1.00 51.45 H new ATOM 0 HB2 LEU A 103 0.899 -9.136 -10.233 1.00 62.43 H new ATOM 0 HB3 LEU A 103 0.996 -8.423 -8.635 1.00 62.43 H new ATOM 0 HG LEU A 103 3.311 -8.741 -10.575 1.00 13.41 H new ATOM 0 HD11 LEU A 103 3.225 -6.283 -10.752 1.00 34.50 H new ATOM 0 HD12 LEU A 103 1.721 -7.046 -11.321 1.00 34.50 H new ATOM 0 HD13 LEU A 103 1.774 -6.267 -9.722 1.00 34.50 H new ATOM 0 HD21 LEU A 103 4.571 -7.334 -8.984 1.00 3.23 H new ATOM 0 HD22 LEU A 103 3.189 -7.377 -7.864 1.00 3.23 H new ATOM 0 HD23 LEU A 103 4.065 -8.876 -8.254 1.00 3.23 H new ATOM 1097 N ARG A 104 0.273 -10.895 -7.040 1.00 42.53 N ATOM 1098 CA ARG A 104 -0.924 -11.492 -6.432 1.00 52.15 C ATOM 1099 C ARG A 104 -1.733 -10.425 -5.665 1.00 1.35 C ATOM 1100 O ARG A 104 -1.654 -9.234 -5.960 1.00 52.10 O ATOM 1101 CB ARG A 104 -0.511 -12.594 -5.443 1.00 41.32 C ATOM 1102 CG ARG A 104 0.503 -13.600 -5.977 1.00 24.24 C ATOM 1103 CD ARG A 104 0.849 -14.657 -4.926 1.00 44.45 C ATOM 1104 NE ARG A 104 -0.285 -15.538 -4.634 1.00 71.41 N ATOM 1105 CZ ARG A 104 -1.133 -15.372 -3.652 1.00 54.41 C ATOM 1106 NH1 ARG A 104 -1.030 -14.370 -2.835 1.00 14.01 N ATOM 1107 NH2 ARG A 104 -2.095 -16.220 -3.489 1.00 41.33 N ATOM 0 H ARG A 104 0.826 -10.333 -6.393 1.00 42.53 H new ATOM 0 HA ARG A 104 -1.538 -11.910 -7.230 1.00 52.15 H new ATOM 0 HB2 ARG A 104 -0.097 -12.123 -4.552 1.00 41.32 H new ATOM 0 HB3 ARG A 104 -1.405 -13.134 -5.132 1.00 41.32 H new ATOM 0 HG2 ARG A 104 0.101 -14.087 -6.866 1.00 24.24 H new ATOM 0 HG3 ARG A 104 1.410 -13.078 -6.282 1.00 24.24 H new ATOM 0 HD2 ARG A 104 1.690 -15.255 -5.277 1.00 44.45 H new ATOM 0 HD3 ARG A 104 1.169 -14.164 -4.008 1.00 44.45 H new ATOM 0 HE ARG A 104 -0.424 -16.344 -5.244 1.00 71.41 H new ATOM 0 HH11 ARG A 104 -0.277 -13.692 -2.952 1.00 14.01 H new ATOM 0 HH12 ARG A 104 -1.702 -14.260 -2.076 1.00 14.01 H new ATOM 0 HH21 ARG A 104 -2.189 -17.013 -4.124 1.00 41.33 H new ATOM 0 HH22 ARG A 104 -2.760 -16.097 -2.725 1.00 41.33 H new ATOM 1121 N THR A 105 -2.534 -10.868 -4.693 1.00 10.31 N ATOM 1122 CA THR A 105 -3.177 -9.953 -3.742 1.00 74.51 C ATOM 1123 C THR A 105 -2.418 -9.953 -2.404 1.00 20.44 C ATOM 1124 O THR A 105 -2.176 -11.010 -1.819 1.00 23.05 O ATOM 1125 CB THR A 105 -4.655 -10.336 -3.475 1.00 22.41 C ATOM 1126 OG1 THR A 105 -5.376 -10.422 -4.713 1.00 43.44 O ATOM 1127 CG2 THR A 105 -5.336 -9.313 -2.568 1.00 21.02 C ATOM 0 H THR A 105 -2.754 -11.853 -4.542 1.00 10.31 H new ATOM 0 HA THR A 105 -3.152 -8.960 -4.192 1.00 74.51 H new ATOM 0 HB THR A 105 -4.661 -11.305 -2.976 1.00 22.41 H new ATOM 0 HG1 THR A 105 -6.308 -10.666 -4.533 1.00 43.44 H new ATOM 0 HG21 THR A 105 -6.371 -9.609 -2.399 1.00 21.02 H new ATOM 0 HG22 THR A 105 -4.811 -9.267 -1.614 1.00 21.02 H new ATOM 0 HG23 THR A 105 -5.312 -8.332 -3.043 1.00 21.02 H new ATOM 1135 N GLY A 106 -2.037 -8.770 -1.929 1.00 31.20 N ATOM 1136 CA GLY A 106 -1.282 -8.665 -0.679 1.00 24.24 C ATOM 1137 C GLY A 106 0.174 -8.260 -0.886 1.00 65.14 C ATOM 1138 O GLY A 106 0.920 -8.072 0.079 1.00 44.24 O ATOM 0 H GLY A 106 -2.235 -7.878 -2.383 1.00 31.20 H new ATOM 0 HA2 GLY A 106 -1.766 -7.935 -0.030 1.00 24.24 H new ATOM 0 HA3 GLY A 106 -1.315 -9.623 -0.161 1.00 24.24 H new ATOM 1142 N ASP A 107 0.583 -8.141 -2.146 1.00 1.44 N ATOM 1143 CA ASP A 107 1.938 -7.704 -2.489 1.00 64.22 C ATOM 1144 C ASP A 107 2.098 -6.184 -2.292 1.00 62.54 C ATOM 1145 O ASP A 107 1.179 -5.407 -2.563 1.00 24.31 O ATOM 1146 CB ASP A 107 2.258 -8.071 -3.945 1.00 32.01 C ATOM 1147 CG ASP A 107 2.140 -9.563 -4.208 1.00 12.31 C ATOM 1148 OD1 ASP A 107 1.013 -10.090 -4.131 1.00 14.15 O ATOM 1149 OD2 ASP A 107 3.170 -10.215 -4.479 1.00 42.21 O ATOM 0 H ASP A 107 -0.007 -8.342 -2.953 1.00 1.44 H new ATOM 0 HA ASP A 107 2.634 -8.214 -1.823 1.00 64.22 H new ATOM 0 HB2 ASP A 107 1.581 -7.534 -4.609 1.00 32.01 H new ATOM 0 HB3 ASP A 107 3.269 -7.742 -4.186 1.00 32.01 H new ATOM 1154 N LEU A 108 3.262 -5.768 -1.808 1.00 14.12 N ATOM 1155 CA LEU A 108 3.568 -4.342 -1.660 1.00 52.14 C ATOM 1156 C LEU A 108 4.257 -3.811 -2.923 1.00 45.12 C ATOM 1157 O LEU A 108 5.380 -4.210 -3.241 1.00 21.12 O ATOM 1158 CB LEU A 108 4.461 -4.111 -0.430 1.00 15.15 C ATOM 1159 CG LEU A 108 3.889 -4.629 0.900 1.00 15.03 C ATOM 1160 CD1 LEU A 108 4.806 -4.266 2.068 1.00 32.43 C ATOM 1161 CD2 LEU A 108 2.479 -4.090 1.128 1.00 63.25 C ATOM 0 H LEU A 108 4.011 -6.393 -1.511 1.00 14.12 H new ATOM 0 HA LEU A 108 2.633 -3.800 -1.518 1.00 52.14 H new ATOM 0 HB2 LEU A 108 5.424 -4.591 -0.605 1.00 15.15 H new ATOM 0 HB3 LEU A 108 4.650 -3.042 -0.334 1.00 15.15 H new ATOM 0 HG LEU A 108 3.832 -5.716 0.843 1.00 15.03 H new ATOM 0 HD11 LEU A 108 4.379 -4.644 2.997 1.00 32.43 H new ATOM 0 HD12 LEU A 108 5.788 -4.713 1.912 1.00 32.43 H new ATOM 0 HD13 LEU A 108 4.906 -3.182 2.129 1.00 32.43 H new ATOM 0 HD21 LEU A 108 2.093 -4.469 2.074 1.00 63.25 H new ATOM 0 HD22 LEU A 108 2.506 -3.001 1.157 1.00 63.25 H new ATOM 0 HD23 LEU A 108 1.829 -4.415 0.315 1.00 63.25 H new ATOM 1173 N VAL A 109 3.584 -2.917 -3.645 1.00 51.03 N ATOM 1174 CA VAL A 109 4.127 -2.381 -4.899 1.00 53.31 C ATOM 1175 C VAL A 109 4.855 -1.048 -4.673 1.00 23.35 C ATOM 1176 O VAL A 109 4.310 -0.107 -4.089 1.00 4.55 O ATOM 1177 CB VAL A 109 3.029 -2.214 -5.986 1.00 4.25 C ATOM 1178 CG1 VAL A 109 2.550 -3.581 -6.472 1.00 3.42 C ATOM 1179 CG2 VAL A 109 1.853 -1.389 -5.463 1.00 65.23 C ATOM 0 H VAL A 109 2.668 -2.548 -3.389 1.00 51.03 H new ATOM 0 HA VAL A 109 4.849 -3.113 -5.261 1.00 53.31 H new ATOM 0 HB VAL A 109 3.466 -1.676 -6.827 1.00 4.25 H new ATOM 0 HG11 VAL A 109 1.781 -3.448 -7.233 1.00 3.42 H new ATOM 0 HG12 VAL A 109 3.390 -4.131 -6.897 1.00 3.42 H new ATOM 0 HG13 VAL A 109 2.137 -4.141 -5.633 1.00 3.42 H new ATOM 0 HG21 VAL A 109 1.101 -1.290 -6.246 1.00 65.23 H new ATOM 0 HG22 VAL A 109 1.414 -1.889 -4.600 1.00 65.23 H new ATOM 0 HG23 VAL A 109 2.204 -0.400 -5.170 1.00 65.23 H new ATOM 1189 N LEU A 110 6.103 -0.992 -5.132 1.00 13.32 N ATOM 1190 CA LEU A 110 6.985 0.151 -4.883 1.00 41.02 C ATOM 1191 C LEU A 110 7.160 1.022 -6.138 1.00 52.00 C ATOM 1192 O LEU A 110 7.722 0.580 -7.145 1.00 71.43 O ATOM 1193 CB LEU A 110 8.349 -0.362 -4.402 1.00 2.10 C ATOM 1194 CG LEU A 110 8.307 -1.217 -3.124 1.00 60.12 C ATOM 1195 CD1 LEU A 110 9.678 -1.809 -2.820 1.00 12.04 C ATOM 1196 CD2 LEU A 110 7.798 -0.396 -1.939 1.00 71.14 C ATOM 0 H LEU A 110 6.532 -1.734 -5.685 1.00 13.32 H new ATOM 0 HA LEU A 110 6.528 0.776 -4.116 1.00 41.02 H new ATOM 0 HB2 LEU A 110 8.801 -0.950 -5.200 1.00 2.10 H new ATOM 0 HB3 LEU A 110 9.001 0.494 -4.228 1.00 2.10 H new ATOM 0 HG LEU A 110 7.613 -2.040 -3.292 1.00 60.12 H new ATOM 0 HD11 LEU A 110 9.622 -2.409 -1.912 1.00 12.04 H new ATOM 0 HD12 LEU A 110 9.995 -2.438 -3.652 1.00 12.04 H new ATOM 0 HD13 LEU A 110 10.399 -1.004 -2.679 1.00 12.04 H new ATOM 0 HD21 LEU A 110 7.777 -1.021 -1.046 1.00 71.14 H new ATOM 0 HD22 LEU A 110 8.462 0.453 -1.772 1.00 71.14 H new ATOM 0 HD23 LEU A 110 6.792 -0.034 -2.153 1.00 71.14 H new ATOM 1208 N PHE A 111 6.678 2.261 -6.065 1.00 4.30 N ATOM 1209 CA PHE A 111 6.805 3.220 -7.169 1.00 71.40 C ATOM 1210 C PHE A 111 7.843 4.307 -6.846 1.00 31.05 C ATOM 1211 O PHE A 111 8.075 4.639 -5.681 1.00 14.20 O ATOM 1212 CB PHE A 111 5.449 3.879 -7.458 1.00 23.43 C ATOM 1213 CG PHE A 111 4.344 2.894 -7.747 1.00 72.20 C ATOM 1214 CD1 PHE A 111 4.225 2.309 -9.001 1.00 42.25 C ATOM 1215 CD2 PHE A 111 3.430 2.550 -6.762 1.00 22.32 C ATOM 1216 CE1 PHE A 111 3.213 1.404 -9.264 1.00 5.14 C ATOM 1217 CE2 PHE A 111 2.420 1.647 -7.023 1.00 23.40 C ATOM 1218 CZ PHE A 111 2.312 1.072 -8.273 1.00 41.23 C ATOM 0 H PHE A 111 6.192 2.630 -5.248 1.00 4.30 H new ATOM 0 HA PHE A 111 7.140 2.671 -8.049 1.00 71.40 H new ATOM 0 HB2 PHE A 111 5.163 4.491 -6.603 1.00 23.43 H new ATOM 0 HB3 PHE A 111 5.556 4.551 -8.309 1.00 23.43 H new ATOM 0 HD1 PHE A 111 4.930 2.563 -9.779 1.00 42.25 H new ATOM 0 HD2 PHE A 111 3.510 2.994 -5.781 1.00 22.32 H new ATOM 0 HE1 PHE A 111 3.128 0.958 -10.244 1.00 5.14 H new ATOM 0 HE2 PHE A 111 1.713 1.390 -6.248 1.00 23.40 H new ATOM 0 HZ PHE A 111 1.523 0.363 -8.475 1.00 41.23 H new ATOM 1228 N ARG A 112 8.472 4.853 -7.884 1.00 63.45 N ATOM 1229 CA ARG A 112 9.438 5.947 -7.718 1.00 14.14 C ATOM 1230 C ARG A 112 8.731 7.316 -7.735 1.00 13.22 C ATOM 1231 O ARG A 112 8.380 7.825 -8.795 1.00 32.24 O ATOM 1232 CB ARG A 112 10.494 5.897 -8.834 1.00 64.14 C ATOM 1233 CG ARG A 112 11.240 4.569 -8.936 1.00 41.42 C ATOM 1234 CD ARG A 112 12.212 4.564 -10.114 1.00 53.43 C ATOM 1235 NE ARG A 112 12.868 3.270 -10.289 1.00 51.31 N ATOM 1236 CZ ARG A 112 13.405 2.859 -11.408 1.00 35.11 C ATOM 1237 NH1 ARG A 112 13.405 3.613 -12.458 1.00 21.11 N ATOM 1238 NH2 ARG A 112 13.957 1.695 -11.469 1.00 64.43 N ATOM 0 H ARG A 112 8.333 4.559 -8.851 1.00 63.45 H new ATOM 0 HA ARG A 112 9.926 5.821 -6.752 1.00 14.14 H new ATOM 0 HB2 ARG A 112 10.007 6.101 -9.788 1.00 64.14 H new ATOM 0 HB3 ARG A 112 11.218 6.695 -8.669 1.00 64.14 H new ATOM 0 HG2 ARG A 112 11.786 4.385 -8.011 1.00 41.42 H new ATOM 0 HG3 ARG A 112 10.524 3.755 -9.050 1.00 41.42 H new ATOM 0 HD2 ARG A 112 11.674 4.822 -11.026 1.00 53.43 H new ATOM 0 HD3 ARG A 112 12.968 5.334 -9.961 1.00 53.43 H new ATOM 0 HE ARG A 112 12.910 2.645 -9.484 1.00 51.31 H new ATOM 0 HH11 ARG A 112 12.983 4.541 -12.420 1.00 21.11 H new ATOM 0 HH12 ARG A 112 13.827 3.280 -13.325 1.00 21.11 H new ATOM 0 HH21 ARG A 112 13.975 1.095 -10.644 1.00 64.43 H new ATOM 0 HH22 ARG A 112 14.376 1.374 -12.342 1.00 64.43 H new ATOM 1252 N ALA A 113 8.521 7.906 -6.563 1.00 55.42 N ATOM 1253 CA ALA A 113 7.823 9.195 -6.465 1.00 42.11 C ATOM 1254 C ALA A 113 8.811 10.372 -6.460 1.00 1.14 C ATOM 1255 O ALA A 113 9.958 10.230 -6.036 1.00 12.12 O ATOM 1256 CB ALA A 113 6.950 9.228 -5.218 1.00 72.43 C ATOM 0 H ALA A 113 8.820 7.519 -5.668 1.00 55.42 H new ATOM 0 HA ALA A 113 7.189 9.300 -7.345 1.00 42.11 H new ATOM 0 HB1 ALA A 113 6.438 10.189 -5.157 1.00 72.43 H new ATOM 0 HB2 ALA A 113 6.213 8.427 -5.269 1.00 72.43 H new ATOM 0 HB3 ALA A 113 7.573 9.092 -4.334 1.00 72.43 H new ATOM 1301 N ARG A 118 10.139 7.038 -2.584 1.00 72.41 N ATOM 1302 CA ARG A 118 9.466 5.750 -2.769 1.00 71.12 C ATOM 1303 C ARG A 118 8.015 5.808 -2.261 1.00 54.33 C ATOM 1304 O ARG A 118 7.757 6.225 -1.132 1.00 44.34 O ATOM 1305 CB ARG A 118 10.231 4.623 -2.049 1.00 65.34 C ATOM 1306 CG ARG A 118 9.699 3.227 -2.372 1.00 71.13 C ATOM 1307 CD ARG A 118 9.916 2.861 -3.843 1.00 64.43 C ATOM 1308 NE ARG A 118 11.273 2.382 -4.106 1.00 61.22 N ATOM 1309 CZ ARG A 118 12.195 3.055 -4.744 1.00 73.52 C ATOM 1310 NH1 ARG A 118 11.990 4.279 -5.120 1.00 54.23 N ATOM 1311 NH2 ARG A 118 13.335 2.502 -4.991 1.00 42.23 N ATOM 0 HA ARG A 118 9.451 5.536 -3.838 1.00 71.12 H new ATOM 0 HB2 ARG A 118 11.284 4.675 -2.324 1.00 65.34 H new ATOM 0 HB3 ARG A 118 10.175 4.785 -0.973 1.00 65.34 H new ATOM 0 HG2 ARG A 118 10.196 2.493 -1.738 1.00 71.13 H new ATOM 0 HG3 ARG A 118 8.635 3.181 -2.139 1.00 71.13 H new ATOM 0 HD2 ARG A 118 9.200 2.092 -4.132 1.00 64.43 H new ATOM 0 HD3 ARG A 118 9.715 3.733 -4.465 1.00 64.43 H new ATOM 0 HE ARG A 118 11.519 1.452 -3.766 1.00 61.22 H new ATOM 0 HH11 ARG A 118 11.098 4.732 -4.919 1.00 54.23 H new ATOM 0 HH12 ARG A 118 12.720 4.789 -5.617 1.00 54.23 H new ATOM 0 HH21 ARG A 118 13.513 1.544 -4.689 1.00 42.23 H new ATOM 0 HH22 ARG A 118 14.057 3.023 -5.488 1.00 42.23 H new ATOM 1325 N HIS A 119 7.074 5.395 -3.104 1.00 0.00 N ATOM 1326 CA HIS A 119 5.654 5.348 -2.732 1.00 13.01 C ATOM 1327 C HIS A 119 5.137 3.901 -2.797 1.00 24.01 C ATOM 1328 O HIS A 119 5.264 3.237 -3.824 1.00 2.11 O ATOM 1329 CB HIS A 119 4.841 6.256 -3.667 1.00 51.42 C ATOM 1330 CG HIS A 119 3.429 6.491 -3.218 1.00 4.33 C ATOM 1331 ND1 HIS A 119 3.118 7.533 -2.381 1.00 32.20 N ATOM 1332 CD2 HIS A 119 2.291 5.817 -3.523 1.00 14.00 C ATOM 1333 CE1 HIS A 119 1.814 7.477 -2.195 1.00 74.10 C ATOM 1334 NE2 HIS A 119 1.268 6.453 -2.867 1.00 64.01 N ATOM 0 H HIS A 119 7.266 5.085 -4.057 1.00 0.00 H new ATOM 0 HA HIS A 119 5.539 5.707 -1.709 1.00 13.01 H new ATOM 0 HB2 HIS A 119 5.348 7.217 -3.754 1.00 51.42 H new ATOM 0 HB3 HIS A 119 4.825 5.813 -4.663 1.00 51.42 H new ATOM 0 HD1 HIS A 119 3.765 8.214 -1.983 1.00 32.20 H new ATOM 0 HD2 HIS A 119 2.207 4.948 -4.159 1.00 14.00 H new ATOM 0 HE1 HIS A 119 1.257 8.168 -1.580 1.00 74.10 H new ATOM 1342 N VAL A 120 4.567 3.415 -1.697 1.00 34.20 N ATOM 1343 CA VAL A 120 4.124 2.016 -1.608 1.00 31.14 C ATOM 1344 C VAL A 120 2.589 1.889 -1.615 1.00 61.42 C ATOM 1345 O VAL A 120 1.884 2.674 -0.975 1.00 45.23 O ATOM 1346 CB VAL A 120 4.695 1.329 -0.338 1.00 72.23 C ATOM 1347 CG1 VAL A 120 4.240 2.052 0.927 1.00 35.33 C ATOM 1348 CG2 VAL A 120 4.307 -0.151 -0.296 1.00 64.22 C ATOM 0 H VAL A 120 4.399 3.964 -0.854 1.00 34.20 H new ATOM 0 HA VAL A 120 4.510 1.513 -2.495 1.00 31.14 H new ATOM 0 HB VAL A 120 5.782 1.389 -0.383 1.00 72.23 H new ATOM 0 HG11 VAL A 120 4.654 1.550 1.802 1.00 35.33 H new ATOM 0 HG12 VAL A 120 4.589 3.084 0.902 1.00 35.33 H new ATOM 0 HG13 VAL A 120 3.151 2.038 0.982 1.00 35.33 H new ATOM 0 HG21 VAL A 120 4.719 -0.610 0.603 1.00 64.22 H new ATOM 0 HG22 VAL A 120 3.221 -0.242 -0.285 1.00 64.22 H new ATOM 0 HG23 VAL A 120 4.705 -0.656 -1.176 1.00 64.22 H new ATOM 1358 N GLY A 121 2.083 0.897 -2.346 1.00 74.25 N ATOM 1359 CA GLY A 121 0.648 0.628 -2.381 1.00 3.43 C ATOM 1360 C GLY A 121 0.318 -0.831 -2.076 1.00 20.31 C ATOM 1361 O GLY A 121 1.092 -1.733 -2.405 1.00 2.43 O ATOM 0 H GLY A 121 2.644 0.268 -2.920 1.00 74.25 H new ATOM 0 HA2 GLY A 121 0.144 1.270 -1.658 1.00 3.43 H new ATOM 0 HA3 GLY A 121 0.257 0.887 -3.365 1.00 3.43 H new ATOM 1365 N ILE A 122 -0.831 -1.068 -1.444 1.00 0.35 N ATOM 1366 CA ILE A 122 -1.260 -2.432 -1.100 1.00 4.32 C ATOM 1367 C ILE A 122 -2.039 -3.071 -2.260 1.00 43.30 C ATOM 1368 O ILE A 122 -3.176 -2.686 -2.541 1.00 14.13 O ATOM 1369 CB ILE A 122 -2.149 -2.443 0.171 1.00 15.14 C ATOM 1370 CG1 ILE A 122 -1.473 -1.656 1.310 1.00 51.31 C ATOM 1371 CG2 ILE A 122 -2.430 -3.882 0.609 1.00 61.22 C ATOM 1372 CD1 ILE A 122 -2.334 -1.510 2.547 1.00 63.32 C ATOM 0 H ILE A 122 -1.483 -0.338 -1.158 1.00 0.35 H new ATOM 0 HA ILE A 122 -0.357 -3.010 -0.906 1.00 4.32 H new ATOM 0 HB ILE A 122 -3.097 -1.959 -0.065 1.00 15.14 H new ATOM 0 HG12 ILE A 122 -0.544 -2.156 1.583 1.00 51.31 H new ATOM 0 HG13 ILE A 122 -1.206 -0.664 0.945 1.00 51.31 H new ATOM 0 HG21 ILE A 122 -3.055 -3.875 1.502 1.00 61.22 H new ATOM 0 HG22 ILE A 122 -2.947 -4.412 -0.191 1.00 61.22 H new ATOM 0 HG23 ILE A 122 -1.489 -4.386 0.829 1.00 61.22 H new ATOM 0 HD11 ILE A 122 -1.790 -0.945 3.304 1.00 63.32 H new ATOM 0 HD12 ILE A 122 -3.253 -0.982 2.291 1.00 63.32 H new ATOM 0 HD13 ILE A 122 -2.580 -2.497 2.938 1.00 63.32 H new ATOM 1384 N TYR A 123 -1.422 -4.045 -2.927 1.00 2.25 N ATOM 1385 CA TYR A 123 -2.016 -4.684 -4.112 1.00 53.44 C ATOM 1386 C TYR A 123 -3.286 -5.485 -3.758 1.00 53.31 C ATOM 1387 O TYR A 123 -3.218 -6.528 -3.110 1.00 72.12 O ATOM 1388 CB TYR A 123 -0.967 -5.597 -4.780 1.00 32.32 C ATOM 1389 CG TYR A 123 -0.852 -5.430 -6.286 1.00 1.04 C ATOM 1390 CD1 TYR A 123 -0.908 -4.170 -6.876 1.00 1.02 C ATOM 1391 CD2 TYR A 123 -0.662 -6.530 -7.113 1.00 14.34 C ATOM 1392 CE1 TYR A 123 -0.782 -4.015 -8.243 1.00 72.12 C ATOM 1393 CE2 TYR A 123 -0.538 -6.380 -8.480 1.00 42.34 C ATOM 1394 CZ TYR A 123 -0.596 -5.123 -9.038 1.00 72.50 C ATOM 1395 OH TYR A 123 -0.461 -4.973 -10.401 1.00 71.53 O ATOM 0 H TYR A 123 -0.507 -4.414 -2.669 1.00 2.25 H new ATOM 0 HA TYR A 123 -2.317 -3.901 -4.808 1.00 53.44 H new ATOM 0 HB2 TYR A 123 0.006 -5.400 -4.330 1.00 32.32 H new ATOM 0 HB3 TYR A 123 -1.215 -6.635 -4.560 1.00 32.32 H new ATOM 0 HD1 TYR A 123 -1.052 -3.299 -6.254 1.00 1.02 H new ATOM 0 HD2 TYR A 123 -0.610 -7.518 -6.680 1.00 14.34 H new ATOM 0 HE1 TYR A 123 -0.829 -3.031 -8.685 1.00 72.12 H new ATOM 0 HE2 TYR A 123 -0.396 -7.246 -9.109 1.00 42.34 H new ATOM 0 HH TYR A 123 -0.946 -5.691 -10.859 1.00 71.53 H new ATOM 1405 N ILE A 124 -4.447 -4.985 -4.189 1.00 52.23 N ATOM 1406 CA ILE A 124 -5.733 -5.648 -3.918 1.00 11.21 C ATOM 1407 C ILE A 124 -6.283 -6.351 -5.171 1.00 25.25 C ATOM 1408 O ILE A 124 -7.440 -6.775 -5.205 1.00 22.25 O ATOM 1409 CB ILE A 124 -6.787 -4.640 -3.396 1.00 33.31 C ATOM 1410 CG1 ILE A 124 -7.067 -3.550 -4.445 1.00 15.53 C ATOM 1411 CG2 ILE A 124 -6.326 -4.022 -2.079 1.00 35.32 C ATOM 1412 CD1 ILE A 124 -8.114 -2.542 -4.021 1.00 54.24 C ATOM 0 H ILE A 124 -4.527 -4.123 -4.728 1.00 52.23 H new ATOM 0 HA ILE A 124 -5.542 -6.397 -3.149 1.00 11.21 H new ATOM 0 HB ILE A 124 -7.718 -5.178 -3.215 1.00 33.31 H new ATOM 0 HG12 ILE A 124 -6.138 -3.023 -4.664 1.00 15.53 H new ATOM 0 HG13 ILE A 124 -7.389 -4.026 -5.371 1.00 15.53 H new ATOM 0 HG21 ILE A 124 -7.078 -3.316 -1.726 1.00 35.32 H new ATOM 0 HG22 ILE A 124 -6.189 -4.808 -1.336 1.00 35.32 H new ATOM 0 HG23 ILE A 124 -5.382 -3.500 -2.233 1.00 35.32 H new ATOM 0 HD11 ILE A 124 -8.254 -1.807 -4.814 1.00 54.24 H new ATOM 0 HD12 ILE A 124 -9.057 -3.055 -3.831 1.00 54.24 H new ATOM 0 HD13 ILE A 124 -7.786 -2.037 -3.112 1.00 54.24 H new ATOM 1424 N GLY A 125 -5.447 -6.464 -6.197 1.00 64.51 N ATOM 1425 CA GLY A 125 -5.836 -7.143 -7.428 1.00 42.13 C ATOM 1426 C GLY A 125 -4.669 -7.324 -8.390 1.00 50.32 C ATOM 1427 O GLY A 125 -3.529 -7.032 -8.044 1.00 64.20 O ATOM 0 H GLY A 125 -4.496 -6.095 -6.201 1.00 64.51 H new ATOM 0 HA2 GLY A 125 -6.255 -8.119 -7.184 1.00 42.13 H new ATOM 0 HA3 GLY A 125 -6.623 -6.572 -7.921 1.00 42.13 H new ATOM 1431 N ASN A 126 -4.953 -7.793 -9.605 1.00 62.41 N ATOM 1432 CA ASN A 126 -3.906 -8.014 -10.618 1.00 51.20 C ATOM 1433 C ASN A 126 -3.278 -6.694 -11.107 1.00 5.10 C ATOM 1434 O ASN A 126 -2.216 -6.697 -11.730 1.00 63.23 O ATOM 1435 CB ASN A 126 -4.469 -8.809 -11.805 1.00 71.43 C ATOM 1436 CG ASN A 126 -4.733 -10.264 -11.455 1.00 10.13 C ATOM 1437 OD1 ASN A 126 -3.862 -11.118 -11.598 1.00 23.01 O ATOM 1438 ND2 ASN A 126 -5.927 -10.563 -10.990 1.00 12.44 N ATOM 0 H ASN A 126 -5.895 -8.029 -9.917 1.00 62.41 H new ATOM 0 HA ASN A 126 -3.114 -8.592 -10.142 1.00 51.20 H new ATOM 0 HB2 ASN A 126 -5.396 -8.345 -12.142 1.00 71.43 H new ATOM 0 HB3 ASN A 126 -3.767 -8.760 -12.637 1.00 71.43 H new ATOM 0 HD21 ASN A 126 -6.149 -11.526 -10.737 1.00 12.44 H new ATOM 0 HD22 ASN A 126 -6.630 -9.832 -10.882 1.00 12.44 H new ATOM 1445 N ASN A 127 -3.946 -5.573 -10.839 1.00 61.43 N ATOM 1446 CA ASN A 127 -3.397 -4.239 -11.151 1.00 13.43 C ATOM 1447 C ASN A 127 -3.909 -3.147 -10.192 1.00 13.11 C ATOM 1448 O ASN A 127 -3.368 -2.042 -10.171 1.00 34.44 O ATOM 1449 CB ASN A 127 -3.713 -3.847 -12.598 1.00 42.54 C ATOM 1450 CG ASN A 127 -5.199 -3.664 -12.849 1.00 1.04 C ATOM 1451 OD1 ASN A 127 -5.743 -2.583 -12.664 1.00 72.10 O ATOM 1452 ND2 ASN A 127 -5.862 -4.716 -13.279 1.00 53.21 N ATOM 0 H ASN A 127 -4.869 -5.554 -10.406 1.00 61.43 H new ATOM 0 HA ASN A 127 -2.317 -4.311 -11.020 1.00 13.43 H new ATOM 0 HB2 ASN A 127 -3.192 -2.921 -12.840 1.00 42.54 H new ATOM 0 HB3 ASN A 127 -3.328 -4.614 -13.269 1.00 42.54 H new ATOM 0 HD21 ASN A 127 -6.862 -4.646 -13.469 1.00 53.21 H new ATOM 0 HD22 ASN A 127 -5.376 -5.601 -13.422 1.00 53.21 H new ATOM 1459 N GLN A 128 -4.950 -3.447 -9.412 1.00 22.33 N ATOM 1460 CA GLN A 128 -5.509 -2.472 -8.470 1.00 41.53 C ATOM 1461 C GLN A 128 -4.826 -2.545 -7.101 1.00 54.03 C ATOM 1462 O GLN A 128 -4.478 -3.623 -6.615 1.00 42.44 O ATOM 1463 CB GLN A 128 -7.021 -2.681 -8.311 1.00 61.51 C ATOM 1464 CG GLN A 128 -7.791 -2.485 -9.607 1.00 33.22 C ATOM 1465 CD GLN A 128 -9.300 -2.605 -9.450 1.00 23.51 C ATOM 1466 OE1 GLN A 128 -9.752 -3.403 -8.504 1.00 21.55 O flip ATOM 1467 NE2 GLN A 128 -10.060 -1.990 -10.193 1.00 63.04 N flip ATOM 0 H GLN A 128 -5.421 -4.352 -9.413 1.00 22.33 H new ATOM 0 HA GLN A 128 -5.324 -1.481 -8.885 1.00 41.53 H new ATOM 0 HB2 GLN A 128 -7.205 -3.688 -7.935 1.00 61.51 H new ATOM 0 HB3 GLN A 128 -7.401 -1.987 -7.562 1.00 61.51 H new ATOM 0 HG2 GLN A 128 -7.555 -1.502 -10.014 1.00 33.22 H new ATOM 0 HG3 GLN A 128 -7.451 -3.221 -10.335 1.00 33.22 H new ATOM 0 HE21 GLN A 128 -9.682 -1.379 -10.917 1.00 63.04 H new ATOM 0 HE22 GLN A 128 -11.069 -2.090 -10.086 1.00 63.04 H new ATOM 1476 N PHE A 129 -4.657 -1.386 -6.482 1.00 20.32 N ATOM 1477 CA PHE A 129 -4.006 -1.285 -5.171 1.00 65.11 C ATOM 1478 C PHE A 129 -4.494 -0.057 -4.396 1.00 13.14 C ATOM 1479 O PHE A 129 -4.805 0.980 -4.985 1.00 44.32 O ATOM 1480 CB PHE A 129 -2.477 -1.235 -5.334 1.00 61.11 C ATOM 1481 CG PHE A 129 -2.001 -0.211 -6.336 1.00 51.31 C ATOM 1482 CD1 PHE A 129 -1.903 -0.539 -7.678 1.00 41.13 C ATOM 1483 CD2 PHE A 129 -1.655 1.076 -5.939 1.00 25.02 C ATOM 1484 CE1 PHE A 129 -1.474 0.386 -8.604 1.00 53.41 C ATOM 1485 CE2 PHE A 129 -1.224 2.009 -6.866 1.00 20.12 C ATOM 1486 CZ PHE A 129 -1.135 1.663 -8.201 1.00 14.21 C ATOM 0 H PHE A 129 -4.962 -0.491 -6.865 1.00 20.32 H new ATOM 0 HA PHE A 129 -4.275 -2.173 -4.598 1.00 65.11 H new ATOM 0 HB2 PHE A 129 -2.025 -1.019 -4.366 1.00 61.11 H new ATOM 0 HB3 PHE A 129 -2.122 -2.219 -5.639 1.00 61.11 H new ATOM 0 HD1 PHE A 129 -2.167 -1.535 -8.003 1.00 41.13 H new ATOM 0 HD2 PHE A 129 -1.723 1.350 -4.897 1.00 25.02 H new ATOM 0 HE1 PHE A 129 -1.403 0.113 -9.646 1.00 53.41 H new ATOM 0 HE2 PHE A 129 -0.958 3.006 -6.547 1.00 20.12 H new ATOM 0 HZ PHE A 129 -0.801 2.389 -8.927 1.00 14.21 H new ATOM 1496 N VAL A 130 -4.567 -0.181 -3.074 1.00 3.01 N ATOM 1497 CA VAL A 130 -4.984 0.934 -2.217 1.00 65.41 C ATOM 1498 C VAL A 130 -3.764 1.640 -1.594 1.00 64.14 C ATOM 1499 O VAL A 130 -2.815 0.993 -1.146 1.00 41.32 O ATOM 1500 CB VAL A 130 -5.953 0.462 -1.102 1.00 2.22 C ATOM 1501 CG1 VAL A 130 -5.288 -0.563 -0.188 1.00 3.21 C ATOM 1502 CG2 VAL A 130 -6.484 1.651 -0.302 1.00 4.51 C ATOM 0 H VAL A 130 -4.344 -1.039 -2.570 1.00 3.01 H new ATOM 0 HA VAL A 130 -5.514 1.646 -2.850 1.00 65.41 H new ATOM 0 HB VAL A 130 -6.801 -0.026 -1.582 1.00 2.22 H new ATOM 0 HG11 VAL A 130 -5.993 -0.874 0.583 1.00 3.21 H new ATOM 0 HG12 VAL A 130 -4.985 -1.431 -0.774 1.00 3.21 H new ATOM 0 HG13 VAL A 130 -4.411 -0.117 0.281 1.00 3.21 H new ATOM 0 HG21 VAL A 130 -7.161 1.294 0.474 1.00 4.51 H new ATOM 0 HG22 VAL A 130 -5.650 2.180 0.159 1.00 4.51 H new ATOM 0 HG23 VAL A 130 -7.019 2.328 -0.968 1.00 4.51 H new ATOM 1512 N HIS A 131 -3.794 2.966 -1.587 1.00 43.43 N ATOM 1513 CA HIS A 131 -2.684 3.773 -1.072 1.00 73.41 C ATOM 1514 C HIS A 131 -3.178 5.162 -0.634 1.00 43.42 C ATOM 1515 O HIS A 131 -4.383 5.387 -0.501 1.00 25.31 O ATOM 1516 CB HIS A 131 -1.595 3.912 -2.146 1.00 62.42 C ATOM 1517 CG HIS A 131 -2.040 4.674 -3.360 1.00 70.14 C ATOM 1518 ND1 HIS A 131 -1.500 5.898 -3.672 1.00 44.01 N ATOM 1519 CD2 HIS A 131 -2.967 4.351 -4.295 1.00 23.44 C ATOM 1520 CE1 HIS A 131 -2.104 6.291 -4.777 1.00 4.12 C ATOM 1521 NE2 HIS A 131 -3.001 5.388 -5.192 1.00 22.33 N ATOM 0 H HIS A 131 -4.581 3.514 -1.935 1.00 43.43 H new ATOM 0 HA HIS A 131 -2.264 3.269 -0.201 1.00 73.41 H new ATOM 0 HB2 HIS A 131 -0.730 4.412 -1.711 1.00 62.42 H new ATOM 0 HB3 HIS A 131 -1.269 2.918 -2.451 1.00 62.42 H new ATOM 0 HD1 HIS A 131 -0.779 6.401 -3.155 1.00 44.01 H new ATOM 0 HD2 HIS A 131 -3.563 3.451 -4.327 1.00 23.44 H new ATOM 0 HE1 HIS A 131 -1.901 7.223 -5.283 1.00 4.12 H new ATOM 1529 N ALA A 132 -2.251 6.088 -0.413 1.00 2.11 N ATOM 1530 CA ALA A 132 -2.601 7.448 0.006 1.00 63.40 C ATOM 1531 C ALA A 132 -1.840 8.507 -0.808 1.00 24.34 C ATOM 1532 O ALA A 132 -0.618 8.606 -0.722 1.00 52.03 O ATOM 1533 CB ALA A 132 -2.331 7.624 1.498 1.00 52.21 C ATOM 0 H ALA A 132 -1.249 5.925 -0.516 1.00 2.11 H new ATOM 0 HA ALA A 132 -3.665 7.593 -0.183 1.00 63.40 H new ATOM 0 HB1 ALA A 132 -2.595 8.638 1.798 1.00 52.21 H new ATOM 0 HB2 ALA A 132 -2.931 6.911 2.063 1.00 52.21 H new ATOM 0 HB3 ALA A 132 -1.274 7.449 1.700 1.00 52.21 H new ATOM 1539 N SER A 133 -2.569 9.296 -1.600 1.00 72.32 N ATOM 1540 CA SER A 133 -1.956 10.361 -2.413 1.00 33.01 C ATOM 1541 C SER A 133 -1.921 11.693 -1.651 1.00 53.53 C ATOM 1542 O SER A 133 -2.838 12.012 -0.896 1.00 24.31 O ATOM 1543 CB SER A 133 -2.713 10.537 -3.740 1.00 11.35 C ATOM 1544 OG SER A 133 -2.637 9.366 -4.540 1.00 21.13 O ATOM 0 H SER A 133 -3.581 9.222 -1.699 1.00 72.32 H new ATOM 0 HA SER A 133 -0.930 10.061 -2.628 1.00 33.01 H new ATOM 0 HB2 SER A 133 -3.757 10.773 -3.536 1.00 11.35 H new ATOM 0 HB3 SER A 133 -2.297 11.382 -4.289 1.00 11.35 H new ATOM 0 HG SER A 133 -3.129 9.508 -5.376 1.00 21.13 H new ATOM 1550 N THR A 134 -0.871 12.478 -1.892 1.00 3.35 N ATOM 1551 CA THR A 134 -0.608 13.721 -1.140 1.00 22.42 C ATOM 1552 C THR A 134 -1.823 14.662 -1.062 1.00 63.24 C ATOM 1553 O THR A 134 -2.169 15.147 0.014 1.00 54.41 O ATOM 1554 CB THR A 134 0.586 14.496 -1.750 1.00 2.24 C ATOM 1555 OG1 THR A 134 0.333 14.788 -3.135 1.00 23.15 O ATOM 1556 CG2 THR A 134 1.878 13.687 -1.625 1.00 22.51 C ATOM 0 H THR A 134 -0.176 12.277 -2.611 1.00 3.35 H new ATOM 0 HA THR A 134 -0.374 13.400 -0.125 1.00 22.42 H new ATOM 0 HB THR A 134 0.701 15.429 -1.199 1.00 2.24 H new ATOM 0 HG1 THR A 134 1.093 15.280 -3.510 1.00 23.15 H new ATOM 0 HG21 THR A 134 2.704 14.250 -2.060 1.00 22.51 H new ATOM 0 HG22 THR A 134 2.086 13.493 -0.573 1.00 22.51 H new ATOM 0 HG23 THR A 134 1.767 12.740 -2.153 1.00 22.51 H new ATOM 1564 N SER A 135 -2.462 14.928 -2.199 1.00 43.04 N ATOM 1565 CA SER A 135 -3.600 15.869 -2.252 1.00 60.31 C ATOM 1566 C SER A 135 -4.955 15.157 -2.435 1.00 54.12 C ATOM 1567 O SER A 135 -5.948 15.783 -2.821 1.00 51.45 O ATOM 1568 CB SER A 135 -3.382 16.874 -3.392 1.00 12.42 C ATOM 1569 OG SER A 135 -3.167 16.210 -4.629 1.00 14.44 O ATOM 0 H SER A 135 -2.219 14.512 -3.098 1.00 43.04 H new ATOM 0 HA SER A 135 -3.639 16.385 -1.293 1.00 60.31 H new ATOM 0 HB2 SER A 135 -4.250 17.529 -3.474 1.00 12.42 H new ATOM 0 HB3 SER A 135 -2.525 17.508 -3.163 1.00 12.42 H new ATOM 0 HG SER A 135 -3.033 16.874 -5.338 1.00 14.44 H new ATOM 1575 N SER A 136 -5.010 13.861 -2.126 1.00 60.22 N ATOM 1576 CA SER A 136 -6.255 13.080 -2.282 1.00 3.12 C ATOM 1577 C SER A 136 -6.565 12.224 -1.046 1.00 74.55 C ATOM 1578 O SER A 136 -7.719 11.862 -0.806 1.00 24.35 O ATOM 1579 CB SER A 136 -6.173 12.174 -3.520 1.00 0.51 C ATOM 1580 OG SER A 136 -6.055 12.936 -4.713 1.00 41.21 O ATOM 0 H SER A 136 -4.218 13.326 -1.769 1.00 60.22 H new ATOM 0 HA SER A 136 -7.063 13.801 -2.404 1.00 3.12 H new ATOM 0 HB2 SER A 136 -5.317 11.505 -3.427 1.00 0.51 H new ATOM 0 HB3 SER A 136 -7.063 11.547 -3.573 1.00 0.51 H new ATOM 0 HG SER A 136 -6.003 12.332 -5.483 1.00 41.21 H new ATOM 1586 N GLY A 137 -5.542 11.901 -0.261 1.00 44.33 N ATOM 1587 CA GLY A 137 -5.728 11.031 0.893 1.00 63.55 C ATOM 1588 C GLY A 137 -5.751 9.552 0.518 1.00 13.11 C ATOM 1589 O GLY A 137 -5.144 9.150 -0.475 1.00 64.23 O ATOM 0 H GLY A 137 -4.585 12.225 -0.401 1.00 44.33 H new ATOM 0 HA2 GLY A 137 -4.925 11.208 1.609 1.00 63.55 H new ATOM 0 HA3 GLY A 137 -6.662 11.290 1.391 1.00 63.55 H new ATOM 1593 N VAL A 138 -6.452 8.746 1.309 1.00 45.04 N ATOM 1594 CA VAL A 138 -6.530 7.296 1.076 1.00 33.53 C ATOM 1595 C VAL A 138 -7.469 6.949 -0.099 1.00 44.44 C ATOM 1596 O VAL A 138 -8.687 7.130 -0.013 1.00 44.53 O ATOM 1597 CB VAL A 138 -7.009 6.558 2.353 1.00 1.34 C ATOM 1598 CG1 VAL A 138 -7.016 5.047 2.140 1.00 20.43 C ATOM 1599 CG2 VAL A 138 -6.135 6.932 3.552 1.00 2.11 C ATOM 0 H VAL A 138 -6.978 9.068 2.121 1.00 45.04 H new ATOM 0 HA VAL A 138 -5.524 6.964 0.819 1.00 33.53 H new ATOM 0 HB VAL A 138 -8.031 6.873 2.563 1.00 1.34 H new ATOM 0 HG11 VAL A 138 -7.356 4.553 3.050 1.00 20.43 H new ATOM 0 HG12 VAL A 138 -7.689 4.798 1.319 1.00 20.43 H new ATOM 0 HG13 VAL A 138 -6.008 4.709 1.898 1.00 20.43 H new ATOM 0 HG21 VAL A 138 -6.487 6.404 4.438 1.00 2.11 H new ATOM 0 HG22 VAL A 138 -5.101 6.652 3.350 1.00 2.11 H new ATOM 0 HG23 VAL A 138 -6.193 8.007 3.723 1.00 2.11 H new ATOM 1609 N ILE A 139 -6.891 6.450 -1.198 1.00 52.30 N ATOM 1610 CA ILE A 139 -7.662 6.089 -2.406 1.00 14.02 C ATOM 1611 C ILE A 139 -7.137 4.786 -3.043 1.00 61.21 C ATOM 1612 O ILE A 139 -6.210 4.160 -2.531 1.00 2.02 O ATOM 1613 CB ILE A 139 -7.645 7.217 -3.489 1.00 63.54 C ATOM 1614 CG1 ILE A 139 -6.266 7.332 -4.180 1.00 62.15 C ATOM 1615 CG2 ILE A 139 -8.057 8.559 -2.889 1.00 11.33 C ATOM 1616 CD1 ILE A 139 -5.129 7.741 -3.267 1.00 60.05 C ATOM 0 H ILE A 139 -5.888 6.284 -1.281 1.00 52.30 H new ATOM 0 HA ILE A 139 -8.688 5.947 -2.067 1.00 14.02 H new ATOM 0 HB ILE A 139 -8.374 6.940 -4.251 1.00 63.54 H new ATOM 0 HG12 ILE A 139 -6.021 6.371 -4.633 1.00 62.15 H new ATOM 0 HG13 ILE A 139 -6.341 8.057 -4.990 1.00 62.15 H new ATOM 0 HG21 ILE A 139 -8.037 9.326 -3.664 1.00 11.33 H new ATOM 0 HG22 ILE A 139 -9.065 8.481 -2.482 1.00 11.33 H new ATOM 0 HG23 ILE A 139 -7.364 8.830 -2.092 1.00 11.33 H new ATOM 0 HD11 ILE A 139 -4.203 7.795 -3.840 1.00 60.05 H new ATOM 0 HD12 ILE A 139 -5.344 8.717 -2.833 1.00 60.05 H new ATOM 0 HD13 ILE A 139 -5.020 7.005 -2.470 1.00 60.05 H new ATOM 1628 N ILE A 140 -7.739 4.382 -4.165 1.00 41.42 N ATOM 1629 CA ILE A 140 -7.306 3.183 -4.901 1.00 64.53 C ATOM 1630 C ILE A 140 -6.863 3.549 -6.329 1.00 64.40 C ATOM 1631 O ILE A 140 -7.445 4.430 -6.962 1.00 3.41 O ATOM 1632 CB ILE A 140 -8.439 2.120 -4.960 1.00 44.11 C ATOM 1633 CG1 ILE A 140 -8.845 1.692 -3.534 1.00 72.34 C ATOM 1634 CG2 ILE A 140 -8.014 0.902 -5.789 1.00 42.05 C ATOM 1635 CD1 ILE A 140 -9.974 0.682 -3.489 1.00 30.40 C ATOM 0 H ILE A 140 -8.531 4.867 -4.588 1.00 41.42 H new ATOM 0 HA ILE A 140 -6.458 2.758 -4.364 1.00 64.53 H new ATOM 0 HB ILE A 140 -9.302 2.571 -5.450 1.00 44.11 H new ATOM 0 HG12 ILE A 140 -7.975 1.271 -3.031 1.00 72.34 H new ATOM 0 HG13 ILE A 140 -9.141 2.577 -2.971 1.00 72.34 H new ATOM 0 HG21 ILE A 140 -8.827 0.176 -5.812 1.00 42.05 H new ATOM 0 HG22 ILE A 140 -7.780 1.218 -6.806 1.00 42.05 H new ATOM 0 HG23 ILE A 140 -7.132 0.445 -5.339 1.00 42.05 H new ATOM 0 HD11 ILE A 140 -10.199 0.434 -2.452 1.00 30.40 H new ATOM 0 HD12 ILE A 140 -10.860 1.106 -3.961 1.00 30.40 H new ATOM 0 HD13 ILE A 140 -9.676 -0.221 -4.022 1.00 30.40 H new ATOM 1647 N SER A 141 -5.827 2.876 -6.829 1.00 24.24 N ATOM 1648 CA SER A 141 -5.295 3.144 -8.178 1.00 51.13 C ATOM 1649 C SER A 141 -4.945 1.844 -8.918 1.00 71.45 C ATOM 1650 O SER A 141 -5.096 0.747 -8.374 1.00 74.14 O ATOM 1651 CB SER A 141 -4.049 4.043 -8.093 1.00 61.14 C ATOM 1652 OG SER A 141 -3.519 4.325 -9.381 1.00 3.12 O ATOM 0 H SER A 141 -5.334 2.139 -6.325 1.00 24.24 H new ATOM 0 HA SER A 141 -6.075 3.656 -8.741 1.00 51.13 H new ATOM 0 HB2 SER A 141 -4.306 4.976 -7.592 1.00 61.14 H new ATOM 0 HB3 SER A 141 -3.288 3.554 -7.485 1.00 61.14 H new ATOM 0 HG SER A 141 -2.842 5.030 -9.309 1.00 3.12 H new ATOM 1658 N SER A 142 -4.465 1.978 -10.154 1.00 50.21 N ATOM 1659 CA SER A 142 -4.116 0.821 -10.998 1.00 31.51 C ATOM 1660 C SER A 142 -2.794 1.055 -11.745 1.00 10.21 C ATOM 1661 O SER A 142 -2.552 2.144 -12.257 1.00 70.04 O ATOM 1662 CB SER A 142 -5.230 0.537 -12.018 1.00 24.41 C ATOM 1663 OG SER A 142 -6.451 0.186 -11.382 1.00 13.32 O ATOM 0 H SER A 142 -4.306 2.881 -10.601 1.00 50.21 H new ATOM 0 HA SER A 142 -4.000 -0.039 -10.338 1.00 31.51 H new ATOM 0 HB2 SER A 142 -5.385 1.418 -12.641 1.00 24.41 H new ATOM 0 HB3 SER A 142 -4.919 -0.271 -12.680 1.00 24.41 H new ATOM 0 HG SER A 142 -7.136 0.014 -12.061 1.00 13.32 H new ATOM 1669 N MET A 143 -1.941 0.030 -11.827 1.00 11.13 N ATOM 1670 CA MET A 143 -0.646 0.170 -12.517 1.00 75.01 C ATOM 1671 C MET A 143 -0.805 0.308 -14.042 1.00 22.11 C ATOM 1672 O MET A 143 0.159 0.608 -14.743 1.00 60.50 O ATOM 1673 CB MET A 143 0.292 -1.002 -12.195 1.00 11.44 C ATOM 1674 CG MET A 143 0.683 -1.097 -10.725 1.00 5.10 C ATOM 1675 SD MET A 143 2.298 -1.864 -10.477 1.00 3.21 S ATOM 1676 CE MET A 143 2.092 -3.405 -11.362 1.00 52.00 C ATOM 0 H MET A 143 -2.115 -0.894 -11.432 1.00 11.13 H new ATOM 0 HA MET A 143 -0.201 1.092 -12.142 1.00 75.01 H new ATOM 0 HB2 MET A 143 -0.191 -1.933 -12.493 1.00 11.44 H new ATOM 0 HB3 MET A 143 1.197 -0.906 -12.796 1.00 11.44 H new ATOM 0 HG2 MET A 143 0.690 -0.097 -10.291 1.00 5.10 H new ATOM 0 HG3 MET A 143 -0.073 -1.672 -10.189 1.00 5.10 H new ATOM 0 HE1 MET A 143 2.302 -4.240 -10.693 1.00 52.00 H new ATOM 0 HE2 MET A 143 1.068 -3.481 -11.727 1.00 52.00 H new ATOM 0 HE3 MET A 143 2.781 -3.435 -12.206 1.00 52.00 H new ATOM 1686 N ASN A 144 -2.016 0.089 -14.558 1.00 3.15 N ATOM 1687 CA ASN A 144 -2.280 0.307 -15.986 1.00 42.13 C ATOM 1688 C ASN A 144 -2.465 1.800 -16.300 1.00 72.05 C ATOM 1689 O ASN A 144 -2.517 2.192 -17.464 1.00 30.14 O ATOM 1690 CB ASN A 144 -3.506 -0.487 -16.456 1.00 71.13 C ATOM 1691 CG ASN A 144 -3.295 -1.988 -16.354 1.00 52.14 C ATOM 1692 OD1 ASN A 144 -2.429 -2.556 -17.015 1.00 5.34 O ATOM 1693 ND2 ASN A 144 -4.095 -2.646 -15.542 1.00 3.32 N ATOM 0 H ASN A 144 -2.820 -0.234 -14.020 1.00 3.15 H new ATOM 0 HA ASN A 144 -1.407 -0.053 -16.531 1.00 42.13 H new ATOM 0 HB2 ASN A 144 -4.371 -0.203 -15.858 1.00 71.13 H new ATOM 0 HB3 ASN A 144 -3.732 -0.224 -17.489 1.00 71.13 H new ATOM 0 HD21 ASN A 144 -4.006 -3.658 -15.448 1.00 3.32 H new ATOM 0 HD22 ASN A 144 -4.804 -2.144 -15.007 1.00 3.32 H new ATOM 1700 N GLU A 145 -2.558 2.628 -15.259 1.00 60.10 N ATOM 1701 CA GLU A 145 -2.640 4.081 -15.440 1.00 73.40 C ATOM 1702 C GLU A 145 -1.278 4.637 -15.895 1.00 73.34 C ATOM 1703 O GLU A 145 -0.239 4.266 -15.345 1.00 61.21 O ATOM 1704 CB GLU A 145 -3.080 4.764 -14.136 1.00 60.14 C ATOM 1705 CG GLU A 145 -4.391 4.230 -13.559 1.00 5.32 C ATOM 1706 CD GLU A 145 -5.562 4.332 -14.527 1.00 51.23 C ATOM 1707 OE1 GLU A 145 -6.179 5.415 -14.611 1.00 62.13 O ATOM 1708 OE2 GLU A 145 -5.880 3.327 -15.195 1.00 73.34 O ATOM 0 H GLU A 145 -2.579 2.322 -14.286 1.00 60.10 H new ATOM 0 HA GLU A 145 -3.383 4.291 -16.209 1.00 73.40 H new ATOM 0 HB2 GLU A 145 -2.293 4.642 -13.392 1.00 60.14 H new ATOM 0 HB3 GLU A 145 -3.185 5.834 -14.317 1.00 60.14 H new ATOM 0 HG2 GLU A 145 -4.255 3.187 -13.272 1.00 5.32 H new ATOM 0 HG3 GLU A 145 -4.631 4.782 -12.650 1.00 5.32 H new ATOM 1715 N PRO A 146 -1.266 5.548 -16.889 1.00 2.24 N ATOM 1716 CA PRO A 146 -0.021 6.036 -17.520 1.00 62.33 C ATOM 1717 C PRO A 146 1.049 6.500 -16.522 1.00 72.53 C ATOM 1718 O PRO A 146 2.220 6.144 -16.658 1.00 72.23 O ATOM 1719 CB PRO A 146 -0.493 7.210 -18.404 1.00 13.42 C ATOM 1720 CG PRO A 146 -1.896 7.496 -17.971 1.00 51.24 C ATOM 1721 CD PRO A 146 -2.451 6.186 -17.485 1.00 61.24 C ATOM 0 HA PRO A 146 0.472 5.235 -18.071 1.00 62.33 H new ATOM 0 HB2 PRO A 146 0.145 8.084 -18.270 1.00 13.42 H new ATOM 0 HB3 PRO A 146 -0.454 6.946 -19.461 1.00 13.42 H new ATOM 0 HG2 PRO A 146 -1.916 8.246 -17.180 1.00 51.24 H new ATOM 0 HG3 PRO A 146 -2.488 7.889 -18.798 1.00 51.24 H new ATOM 0 HD2 PRO A 146 -3.248 6.327 -16.755 1.00 61.24 H new ATOM 0 HD3 PRO A 146 -2.867 5.593 -18.299 1.00 61.24 H new ATOM 1729 N TYR A 147 0.657 7.284 -15.521 1.00 52.53 N ATOM 1730 CA TYR A 147 1.618 7.812 -14.552 1.00 11.12 C ATOM 1731 C TYR A 147 2.258 6.692 -13.716 1.00 14.24 C ATOM 1732 O TYR A 147 3.469 6.669 -13.514 1.00 65.23 O ATOM 1733 CB TYR A 147 0.951 8.838 -13.625 1.00 61.21 C ATOM 1734 CG TYR A 147 1.945 9.599 -12.764 1.00 74.14 C ATOM 1735 CD1 TYR A 147 2.693 10.637 -13.309 1.00 33.31 C ATOM 1736 CD2 TYR A 147 2.147 9.280 -11.422 1.00 75.14 C ATOM 1737 CE1 TYR A 147 3.611 11.329 -12.548 1.00 52.13 C ATOM 1738 CE2 TYR A 147 3.065 9.976 -10.654 1.00 64.21 C ATOM 1739 CZ TYR A 147 3.794 11.000 -11.225 1.00 34.03 C ATOM 1740 OH TYR A 147 4.721 11.688 -10.476 1.00 1.14 O ATOM 0 H TYR A 147 -0.310 7.567 -15.359 1.00 52.53 H new ATOM 0 HA TYR A 147 2.407 8.305 -15.120 1.00 11.12 H new ATOM 0 HB2 TYR A 147 0.383 9.547 -14.227 1.00 61.21 H new ATOM 0 HB3 TYR A 147 0.238 8.326 -12.979 1.00 61.21 H new ATOM 0 HD1 TYR A 147 2.552 10.905 -14.346 1.00 33.31 H new ATOM 0 HD2 TYR A 147 1.579 8.478 -10.975 1.00 75.14 H new ATOM 0 HE1 TYR A 147 4.186 12.129 -12.990 1.00 52.13 H new ATOM 0 HE2 TYR A 147 3.210 9.720 -9.615 1.00 64.21 H new ATOM 0 HH TYR A 147 4.729 11.336 -9.561 1.00 1.14 H new ATOM 1750 N TRP A 148 1.441 5.752 -13.255 1.00 33.43 N ATOM 1751 CA TRP A 148 1.913 4.689 -12.358 1.00 41.21 C ATOM 1752 C TRP A 148 2.677 3.596 -13.120 1.00 55.20 C ATOM 1753 O TRP A 148 3.660 3.045 -12.616 1.00 22.44 O ATOM 1754 CB TRP A 148 0.727 4.086 -11.594 1.00 75.34 C ATOM 1755 CG TRP A 148 0.020 5.093 -10.738 1.00 74.42 C ATOM 1756 CD1 TRP A 148 -1.126 5.774 -11.041 1.00 53.43 C ATOM 1757 CD2 TRP A 148 0.429 5.551 -9.445 1.00 35.02 C ATOM 1758 NE1 TRP A 148 -1.454 6.623 -10.013 1.00 65.15 N ATOM 1759 CE2 TRP A 148 -0.514 6.506 -9.022 1.00 1.20 C ATOM 1760 CE3 TRP A 148 1.503 5.243 -8.603 1.00 22.14 C ATOM 1761 CZ2 TRP A 148 -0.414 7.156 -7.795 1.00 34.14 C ATOM 1762 CZ3 TRP A 148 1.601 5.890 -7.386 1.00 74.22 C ATOM 1763 CH2 TRP A 148 0.650 6.836 -6.991 1.00 72.32 C ATOM 0 H TRP A 148 0.448 5.699 -13.484 1.00 33.43 H new ATOM 0 HA TRP A 148 2.610 5.134 -11.647 1.00 41.21 H new ATOM 0 HB2 TRP A 148 0.020 3.660 -12.306 1.00 75.34 H new ATOM 0 HB3 TRP A 148 1.082 3.267 -10.968 1.00 75.34 H new ATOM 0 HD1 TRP A 148 -1.690 5.661 -11.955 1.00 53.43 H new ATOM 0 HE1 TRP A 148 -2.265 7.241 -9.990 1.00 65.15 H new ATOM 0 HE3 TRP A 148 2.242 4.513 -8.899 1.00 22.14 H new ATOM 0 HZ2 TRP A 148 -1.148 7.886 -7.487 1.00 34.14 H new ATOM 0 HZ3 TRP A 148 2.427 5.661 -6.728 1.00 74.22 H new ATOM 0 HH2 TRP A 148 0.755 7.324 -6.034 1.00 72.32 H new ATOM 1774 N LYS A 149 2.234 3.310 -14.343 1.00 41.13 N ATOM 1775 CA LYS A 149 2.879 2.312 -15.205 1.00 72.14 C ATOM 1776 C LYS A 149 4.382 2.595 -15.371 1.00 73.31 C ATOM 1777 O LYS A 149 5.207 1.679 -15.388 1.00 4.13 O ATOM 1778 CB LYS A 149 2.195 2.308 -16.582 1.00 22.35 C ATOM 1779 CG LYS A 149 2.686 1.208 -17.521 1.00 21.01 C ATOM 1780 CD LYS A 149 2.048 1.311 -18.906 1.00 3.22 C ATOM 1781 CE LYS A 149 0.524 1.261 -18.847 1.00 54.45 C ATOM 1782 NZ LYS A 149 -0.085 1.316 -20.202 1.00 12.13 N ATOM 0 H LYS A 149 1.422 3.759 -14.766 1.00 41.13 H new ATOM 0 HA LYS A 149 2.774 1.335 -14.733 1.00 72.14 H new ATOM 0 HB2 LYS A 149 1.120 2.197 -16.441 1.00 22.35 H new ATOM 0 HB3 LYS A 149 2.356 3.275 -17.058 1.00 22.35 H new ATOM 0 HG2 LYS A 149 3.770 1.269 -17.616 1.00 21.01 H new ATOM 0 HG3 LYS A 149 2.458 0.234 -17.088 1.00 21.01 H new ATOM 0 HD2 LYS A 149 2.361 2.242 -19.379 1.00 3.22 H new ATOM 0 HD3 LYS A 149 2.412 0.497 -19.533 1.00 3.22 H new ATOM 0 HE2 LYS A 149 0.210 0.346 -18.345 1.00 54.45 H new ATOM 0 HE3 LYS A 149 0.156 2.095 -18.249 1.00 54.45 H new ATOM 0 HZ1 LYS A 149 -1.121 1.280 -20.119 1.00 12.13 H new ATOM 0 HZ2 LYS A 149 0.194 2.201 -20.672 1.00 12.13 H new ATOM 0 HZ3 LYS A 149 0.246 0.506 -20.764 1.00 12.13 H new ATOM 1796 N LYS A 150 4.732 3.876 -15.490 1.00 24.21 N ATOM 1797 CA LYS A 150 6.128 4.291 -15.697 1.00 1.22 C ATOM 1798 C LYS A 150 6.856 4.600 -14.371 1.00 20.12 C ATOM 1799 O LYS A 150 8.036 4.965 -14.372 1.00 43.12 O ATOM 1800 CB LYS A 150 6.172 5.514 -16.630 1.00 15.15 C ATOM 1801 CG LYS A 150 5.352 6.702 -16.126 1.00 62.45 C ATOM 1802 CD LYS A 150 5.300 7.843 -17.142 1.00 20.24 C ATOM 1803 CE LYS A 150 4.583 7.431 -18.426 1.00 23.05 C ATOM 1804 NZ LYS A 150 4.412 8.572 -19.366 1.00 72.31 N ATOM 0 H LYS A 150 4.069 4.650 -15.447 1.00 24.21 H new ATOM 0 HA LYS A 150 6.654 3.455 -16.158 1.00 1.22 H new ATOM 0 HB2 LYS A 150 7.209 5.827 -16.756 1.00 15.15 H new ATOM 0 HB3 LYS A 150 5.805 5.222 -17.614 1.00 15.15 H new ATOM 0 HG2 LYS A 150 4.338 6.372 -15.902 1.00 62.45 H new ATOM 0 HG3 LYS A 150 5.782 7.068 -15.194 1.00 62.45 H new ATOM 0 HD2 LYS A 150 4.790 8.699 -16.700 1.00 20.24 H new ATOM 0 HD3 LYS A 150 6.314 8.164 -17.380 1.00 20.24 H new ATOM 0 HE2 LYS A 150 5.148 6.639 -18.918 1.00 23.05 H new ATOM 0 HE3 LYS A 150 3.605 7.018 -18.178 1.00 23.05 H new ATOM 0 HZ1 LYS A 150 3.921 8.245 -20.223 1.00 72.31 H new ATOM 0 HZ2 LYS A 150 3.850 9.318 -18.908 1.00 72.31 H new ATOM 0 HZ3 LYS A 150 5.345 8.951 -19.625 1.00 72.31 H new ATOM 1818 N ARG A 151 6.157 4.448 -13.245 1.00 63.15 N ATOM 1819 CA ARG A 151 6.753 4.680 -11.916 1.00 65.24 C ATOM 1820 C ARG A 151 7.143 3.364 -11.218 1.00 40.20 C ATOM 1821 O ARG A 151 7.926 3.370 -10.269 1.00 0.12 O ATOM 1822 CB ARG A 151 5.782 5.461 -11.017 1.00 4.04 C ATOM 1823 CG ARG A 151 5.569 6.917 -11.423 1.00 70.02 C ATOM 1824 CD ARG A 151 6.866 7.722 -11.388 1.00 13.44 C ATOM 1825 NE ARG A 151 6.614 9.162 -11.414 1.00 35.11 N ATOM 1826 CZ ARG A 151 7.535 10.067 -11.608 1.00 13.15 C ATOM 1827 NH1 ARG A 151 8.761 9.722 -11.825 1.00 31.43 N ATOM 1828 NH2 ARG A 151 7.222 11.321 -11.575 1.00 41.20 N ATOM 0 H ARG A 151 5.177 4.165 -13.220 1.00 63.15 H new ATOM 0 HA ARG A 151 7.660 5.263 -12.075 1.00 65.24 H new ATOM 0 HB2 ARG A 151 4.818 4.953 -11.019 1.00 4.04 H new ATOM 0 HB3 ARG A 151 6.155 5.434 -9.993 1.00 4.04 H new ATOM 0 HG2 ARG A 151 5.147 6.954 -12.428 1.00 70.02 H new ATOM 0 HG3 ARG A 151 4.841 7.376 -10.754 1.00 70.02 H new ATOM 0 HD2 ARG A 151 7.427 7.468 -10.489 1.00 13.44 H new ATOM 0 HD3 ARG A 151 7.487 7.447 -12.240 1.00 13.44 H new ATOM 0 HE ARG A 151 5.656 9.481 -11.271 1.00 35.11 H new ATOM 0 HH11 ARG A 151 9.017 8.735 -11.846 1.00 31.43 H new ATOM 0 HH12 ARG A 151 9.473 10.437 -11.975 1.00 31.43 H new ATOM 0 HH21 ARG A 151 6.257 11.601 -11.398 1.00 41.20 H new ATOM 0 HH22 ARG A 151 7.940 12.030 -11.726 1.00 41.20 H new ATOM 1842 N TYR A 152 6.584 2.247 -11.687 1.00 22.12 N ATOM 1843 CA TYR A 152 6.807 0.933 -11.062 1.00 21.35 C ATOM 1844 C TYR A 152 8.302 0.559 -10.999 1.00 72.50 C ATOM 1845 O TYR A 152 9.025 0.648 -11.997 1.00 64.55 O ATOM 1846 CB TYR A 152 6.023 -0.148 -11.822 1.00 44.33 C ATOM 1847 CG TYR A 152 6.099 -1.537 -11.202 1.00 74.43 C ATOM 1848 CD1 TYR A 152 5.519 -1.803 -9.965 1.00 65.31 C ATOM 1849 CD2 TYR A 152 6.737 -2.585 -11.862 1.00 23.01 C ATOM 1850 CE1 TYR A 152 5.572 -3.069 -9.406 1.00 5.12 C ATOM 1851 CE2 TYR A 152 6.797 -3.851 -11.308 1.00 52.25 C ATOM 1852 CZ TYR A 152 6.211 -4.087 -10.081 1.00 2.50 C ATOM 1853 OH TYR A 152 6.256 -5.351 -9.530 1.00 2.31 O ATOM 0 H TYR A 152 5.970 2.222 -12.501 1.00 22.12 H new ATOM 0 HA TYR A 152 6.447 0.995 -10.035 1.00 21.35 H new ATOM 0 HB2 TYR A 152 4.977 0.153 -11.880 1.00 44.33 H new ATOM 0 HB3 TYR A 152 6.398 -0.199 -12.844 1.00 44.33 H new ATOM 0 HD1 TYR A 152 5.019 -1.008 -9.432 1.00 65.31 H new ATOM 0 HD2 TYR A 152 7.193 -2.406 -12.824 1.00 23.01 H new ATOM 0 HE1 TYR A 152 5.115 -3.258 -8.446 1.00 5.12 H new ATOM 0 HE2 TYR A 152 7.300 -4.650 -11.833 1.00 52.25 H new ATOM 0 HH TYR A 152 6.742 -5.953 -10.132 1.00 2.31 H new ATOM 1863 N ASN A 153 8.754 0.151 -9.811 1.00 41.30 N ATOM 1864 CA ASN A 153 10.143 -0.281 -9.605 1.00 12.21 C ATOM 1865 C ASN A 153 10.214 -1.786 -9.285 1.00 63.12 C ATOM 1866 O ASN A 153 10.927 -2.541 -9.950 1.00 72.50 O ATOM 1867 CB ASN A 153 10.783 0.535 -8.471 1.00 4.31 C ATOM 1868 CG ASN A 153 12.264 0.238 -8.296 1.00 40.10 C ATOM 1869 OD1 ASN A 153 13.110 0.854 -8.934 1.00 2.32 O ATOM 1870 ND2 ASN A 153 12.591 -0.698 -7.427 1.00 23.11 N ATOM 0 H ASN A 153 8.176 0.110 -8.971 1.00 41.30 H new ATOM 0 HA ASN A 153 10.696 -0.107 -10.528 1.00 12.21 H new ATOM 0 HB2 ASN A 153 10.652 1.598 -8.675 1.00 4.31 H new ATOM 0 HB3 ASN A 153 10.262 0.323 -7.538 1.00 4.31 H new ATOM 0 HD21 ASN A 153 13.572 -0.928 -7.270 1.00 23.11 H new ATOM 0 HD22 ASN A 153 11.863 -1.192 -6.912 1.00 23.11 H new ATOM 1877 N GLU A 154 9.473 -2.211 -8.258 1.00 25.14 N ATOM 1878 CA GLU A 154 9.439 -3.627 -7.851 1.00 74.33 C ATOM 1879 C GLU A 154 8.266 -3.895 -6.895 1.00 53.11 C ATOM 1880 O GLU A 154 7.648 -2.963 -6.382 1.00 42.35 O ATOM 1881 CB GLU A 154 10.763 -4.025 -7.175 1.00 62.11 C ATOM 1882 CG GLU A 154 10.979 -3.367 -5.816 1.00 52.33 C ATOM 1883 CD GLU A 154 12.357 -3.640 -5.231 1.00 21.44 C ATOM 1884 OE1 GLU A 154 12.588 -4.759 -4.721 1.00 51.21 O ATOM 1885 OE2 GLU A 154 13.216 -2.737 -5.285 1.00 51.24 O ATOM 0 H GLU A 154 8.887 -1.598 -7.691 1.00 25.14 H new ATOM 0 HA GLU A 154 9.302 -4.230 -8.748 1.00 74.33 H new ATOM 0 HB2 GLU A 154 10.787 -5.108 -7.053 1.00 62.11 H new ATOM 0 HB3 GLU A 154 11.591 -3.760 -7.833 1.00 62.11 H new ATOM 0 HG2 GLU A 154 10.840 -2.290 -5.914 1.00 52.33 H new ATOM 0 HG3 GLU A 154 10.219 -3.725 -5.121 1.00 52.33 H new ATOM 1892 N ALA A 155 7.966 -5.169 -6.656 1.00 2.15 N ATOM 1893 CA ALA A 155 6.907 -5.560 -5.716 1.00 12.31 C ATOM 1894 C ALA A 155 7.388 -6.681 -4.787 1.00 23.35 C ATOM 1895 O ALA A 155 8.178 -7.528 -5.194 1.00 51.40 O ATOM 1896 CB ALA A 155 5.658 -6.000 -6.471 1.00 23.11 C ATOM 0 H ALA A 155 8.441 -5.955 -7.100 1.00 2.15 H new ATOM 0 HA ALA A 155 6.659 -4.691 -5.106 1.00 12.31 H new ATOM 0 HB1 ALA A 155 4.884 -6.286 -5.759 1.00 23.11 H new ATOM 0 HB2 ALA A 155 5.297 -5.177 -7.088 1.00 23.11 H new ATOM 0 HB3 ALA A 155 5.899 -6.852 -7.107 1.00 23.11 H new ATOM 1902 N ARG A 156 6.930 -6.673 -3.535 1.00 13.40 N ATOM 1903 CA ARG A 156 7.307 -7.715 -2.566 1.00 22.55 C ATOM 1904 C ARG A 156 6.120 -8.111 -1.679 1.00 44.45 C ATOM 1905 O ARG A 156 5.551 -7.274 -0.979 1.00 2.41 O ATOM 1906 CB ARG A 156 8.464 -7.236 -1.673 1.00 20.34 C ATOM 1907 CG ARG A 156 9.720 -6.828 -2.438 1.00 30.21 C ATOM 1908 CD ARG A 156 10.889 -6.532 -1.504 1.00 23.31 C ATOM 1909 NE ARG A 156 12.056 -6.047 -2.238 1.00 61.24 N ATOM 1910 CZ ARG A 156 13.289 -6.380 -1.975 1.00 1.04 C ATOM 1911 NH1 ARG A 156 13.562 -7.259 -1.063 1.00 10.42 N ATOM 1912 NH2 ARG A 156 14.252 -5.844 -2.649 1.00 51.13 N ATOM 0 H ARG A 156 6.300 -5.962 -3.164 1.00 13.40 H new ATOM 0 HA ARG A 156 7.625 -8.586 -3.139 1.00 22.55 H new ATOM 0 HB2 ARG A 156 8.122 -6.388 -1.080 1.00 20.34 H new ATOM 0 HB3 ARG A 156 8.721 -8.031 -0.974 1.00 20.34 H new ATOM 0 HG2 ARG A 156 10.000 -7.625 -3.127 1.00 30.21 H new ATOM 0 HG3 ARG A 156 9.506 -5.946 -3.041 1.00 30.21 H new ATOM 0 HD2 ARG A 156 10.587 -5.788 -0.767 1.00 23.31 H new ATOM 0 HD3 ARG A 156 11.154 -7.435 -0.954 1.00 23.31 H new ATOM 0 HE ARG A 156 11.894 -5.402 -3.011 1.00 61.24 H new ATOM 0 HH11 ARG A 156 12.807 -7.701 -0.539 1.00 10.42 H new ATOM 0 HH12 ARG A 156 14.532 -7.509 -0.869 1.00 10.42 H new ATOM 0 HH21 ARG A 156 14.045 -5.165 -3.382 1.00 51.13 H new ATOM 0 HH22 ARG A 156 15.219 -6.100 -2.449 1.00 51.13 H new ATOM 1926 N ARG A 157 5.745 -9.390 -1.704 1.00 30.34 N ATOM 1927 CA ARG A 157 4.683 -9.884 -0.817 1.00 43.14 C ATOM 1928 C ARG A 157 5.252 -10.261 0.562 1.00 2.12 C ATOM 1929 O ARG A 157 6.149 -11.100 0.680 1.00 30.23 O ATOM 1930 CB ARG A 157 3.914 -11.075 -1.430 1.00 21.14 C ATOM 1931 CG ARG A 157 4.727 -12.353 -1.640 1.00 10.14 C ATOM 1932 CD ARG A 157 5.447 -12.373 -2.984 1.00 72.42 C ATOM 1933 NE ARG A 157 6.092 -13.659 -3.226 1.00 11.33 N ATOM 1934 CZ ARG A 157 5.752 -14.489 -4.172 1.00 53.30 C ATOM 1935 NH1 ARG A 157 4.797 -14.199 -4.999 1.00 50.13 N ATOM 1936 NH2 ARG A 157 6.372 -15.611 -4.293 1.00 33.22 N ATOM 0 H ARG A 157 6.151 -10.096 -2.318 1.00 30.34 H new ATOM 0 HA ARG A 157 3.970 -9.069 -0.692 1.00 43.14 H new ATOM 0 HB2 ARG A 157 3.067 -11.307 -0.785 1.00 21.14 H new ATOM 0 HB3 ARG A 157 3.506 -10.764 -2.392 1.00 21.14 H new ATOM 0 HG2 ARG A 157 5.459 -12.450 -0.838 1.00 10.14 H new ATOM 0 HG3 ARG A 157 4.065 -13.216 -1.573 1.00 10.14 H new ATOM 0 HD2 ARG A 157 4.735 -12.166 -3.783 1.00 72.42 H new ATOM 0 HD3 ARG A 157 6.194 -11.580 -3.010 1.00 72.42 H new ATOM 0 HE ARG A 157 6.862 -13.927 -2.613 1.00 11.33 H new ATOM 0 HH11 ARG A 157 4.301 -13.312 -4.914 1.00 50.13 H new ATOM 0 HH12 ARG A 157 4.542 -14.858 -5.734 1.00 50.13 H new ATOM 0 HH21 ARG A 157 7.127 -15.848 -3.650 1.00 33.22 H new ATOM 0 HH22 ARG A 157 6.108 -16.262 -5.032 1.00 33.22 H new ATOM 1950 N VAL A 158 4.724 -9.628 1.603 1.00 65.14 N ATOM 1951 CA VAL A 158 5.210 -9.824 2.976 1.00 2.25 C ATOM 1952 C VAL A 158 4.386 -10.874 3.744 1.00 42.24 C ATOM 1953 O VAL A 158 4.608 -11.103 4.933 1.00 20.15 O ATOM 1954 CB VAL A 158 5.190 -8.486 3.753 1.00 24.33 C ATOM 1955 CG1 VAL A 158 6.261 -7.534 3.217 1.00 21.22 C ATOM 1956 CG2 VAL A 158 3.805 -7.842 3.666 1.00 33.43 C ATOM 0 H VAL A 158 3.951 -8.967 1.527 1.00 65.14 H new ATOM 0 HA VAL A 158 6.233 -10.192 2.898 1.00 2.25 H new ATOM 0 HB VAL A 158 5.412 -8.692 4.800 1.00 24.33 H new ATOM 0 HG11 VAL A 158 6.230 -6.599 3.777 1.00 21.22 H new ATOM 0 HG12 VAL A 158 7.244 -7.992 3.329 1.00 21.22 H new ATOM 0 HG13 VAL A 158 6.073 -7.332 2.163 1.00 21.22 H new ATOM 0 HG21 VAL A 158 3.806 -6.902 4.217 1.00 33.43 H new ATOM 0 HG22 VAL A 158 3.558 -7.650 2.622 1.00 33.43 H new ATOM 0 HG23 VAL A 158 3.063 -8.514 4.097 1.00 33.43 H new ATOM 1966 N LEU A 159 3.446 -11.516 3.059 1.00 1.32 N ATOM 1967 CA LEU A 159 2.597 -12.538 3.684 1.00 42.33 C ATOM 1968 C LEU A 159 3.203 -13.945 3.522 1.00 12.15 C ATOM 1969 O LEU A 159 3.259 -14.486 2.416 1.00 51.40 O ATOM 1970 CB LEU A 159 1.186 -12.492 3.076 1.00 3.11 C ATOM 1971 CG LEU A 159 0.448 -11.150 3.231 1.00 60.42 C ATOM 1972 CD1 LEU A 159 -0.936 -11.215 2.587 1.00 45.44 C ATOM 1973 CD2 LEU A 159 0.346 -10.753 4.704 1.00 55.24 C ATOM 0 H LEU A 159 3.249 -11.351 2.072 1.00 1.32 H new ATOM 0 HA LEU A 159 2.535 -12.322 4.751 1.00 42.33 H new ATOM 0 HB2 LEU A 159 1.258 -12.728 2.014 1.00 3.11 H new ATOM 0 HB3 LEU A 159 0.584 -13.275 3.537 1.00 3.11 H new ATOM 0 HG LEU A 159 1.025 -10.383 2.714 1.00 60.42 H new ATOM 0 HD11 LEU A 159 -1.439 -10.256 2.709 1.00 45.44 H new ATOM 0 HD12 LEU A 159 -0.833 -11.439 1.525 1.00 45.44 H new ATOM 0 HD13 LEU A 159 -1.524 -11.997 3.067 1.00 45.44 H new ATOM 0 HD21 LEU A 159 -0.179 -9.802 4.789 1.00 55.24 H new ATOM 0 HD22 LEU A 159 -0.202 -11.520 5.250 1.00 55.24 H new ATOM 0 HD23 LEU A 159 1.347 -10.654 5.124 1.00 55.24 H new