USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 642 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 112 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 113 HIS : no HE2:sc= 0.913 K(o=0.91,f=-4.5!) USER MOD Set 2.1: A 97 THR OG1 : rot 180:sc= -1.25 USER MOD Set 2.2: A 100 GLN : amide:sc= -0.219 X(o=-1.5,f=-1.3) USER MOD Set 3.1: A 82 GLN : amide:sc= -0.139 K(o=-0.46,f=-2.6) USER MOD Set 3.2: A 147 MET CE :methyl -113:sc= -0.319 (180deg=-0.505) USER MOD Single : A 77 THR OG1 : rot -67:sc= 0.153 USER MOD Single : A 79 LYS NZ :NH3+ 167:sc= -0.0214 (180deg=-0.184) USER MOD Single : A 80 LYS NZ :NH3+ -143:sc= -0.193 (180deg=-0.611) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 39:sc= 0.047 USER MOD Single : A 90 HIS : +bothHN:sc= 1.95 K(o=2,f=-9.2!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -128:sc= -0.0498 (180deg=-1.55!) USER MOD Single : A 103 GLN : amide:sc= -0.214 K(o=-0.21,f=-1.5!) USER MOD Single : A 104 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.9!) USER MOD Single : A 107 SER OG : rot 1:sc= 0.615 USER MOD Single : A 110 LYS NZ :NH3+ 160:sc= 1.2 (180deg=1.11) USER MOD Single : A 115 SER OG : rot 180:sc= 0.0556 USER MOD Single : A 118 LYS NZ :NH3+ 154:sc= -0.15 (180deg=-0.925) USER MOD Single : A 122 LYS NZ :NH3+ 164:sc= -0.0182 (180deg=-0.227) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 HIS : no HD1:sc= -0.0197 X(o=-0.02,f=0) USER MOD Single : A 129 ASN : amide:sc= -1.05 K(o=-1,f=-4.7!) USER MOD Single : A 133 SER OG : rot 180:sc= 0.0372 USER MOD Single : A 136 LYS NZ :NH3+ 170:sc=-0.00515 (180deg=-0.0617) USER MOD Single : A 138 THR OG1 : rot 180:sc= 0.0198 USER MOD Single : A 141 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 142 SER OG : rot -90:sc= 1.24 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD Single : A 149 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0862) USER MOD ----------------------------------------------------------------- ATOM 54 N LEU A 76 8.261 -3.005 -5.422 1.00 0.41 N ATOM 55 CA LEU A 76 7.529 -3.449 -4.250 1.00 0.29 C ATOM 56 C LEU A 76 6.357 -4.325 -4.664 1.00 0.23 C ATOM 57 O LEU A 76 5.433 -3.863 -5.335 1.00 0.28 O ATOM 58 CB LEU A 76 7.012 -2.257 -3.428 1.00 0.26 C ATOM 59 CG LEU A 76 8.078 -1.305 -2.870 1.00 0.35 C ATOM 60 CD1 LEU A 76 8.530 -0.308 -3.926 1.00 0.54 C ATOM 61 CD2 LEU A 76 7.550 -0.576 -1.644 1.00 0.27 C ATOM 0 HA LEU A 76 8.216 -4.024 -3.629 1.00 0.29 H new ATOM 0 HB2 LEU A 76 6.331 -1.680 -4.053 1.00 0.26 H new ATOM 0 HB3 LEU A 76 6.428 -2.644 -2.593 1.00 0.26 H new ATOM 0 HG LEU A 76 8.942 -1.902 -2.578 1.00 0.35 H new ATOM 0 HD11 LEU A 76 9.285 0.354 -3.502 1.00 0.54 H new ATOM 0 HD12 LEU A 76 8.953 -0.844 -4.775 1.00 0.54 H new ATOM 0 HD13 LEU A 76 7.676 0.282 -4.258 1.00 0.54 H new ATOM 0 HD21 LEU A 76 8.319 0.095 -1.261 1.00 0.27 H new ATOM 0 HD22 LEU A 76 6.667 0.002 -1.917 1.00 0.27 H new ATOM 0 HD23 LEU A 76 7.286 -1.302 -0.875 1.00 0.27 H new ATOM 73 N THR A 77 6.400 -5.590 -4.281 1.00 0.20 N ATOM 74 CA THR A 77 5.299 -6.489 -4.553 1.00 0.16 C ATOM 75 C THR A 77 4.318 -6.456 -3.390 1.00 0.16 C ATOM 76 O THR A 77 4.467 -7.190 -2.412 1.00 0.20 O ATOM 77 CB THR A 77 5.777 -7.935 -4.775 1.00 0.15 C ATOM 78 OG1 THR A 77 6.973 -7.948 -5.573 1.00 0.21 O ATOM 79 CG2 THR A 77 4.694 -8.743 -5.475 1.00 0.26 C ATOM 0 H THR A 77 7.183 -6.013 -3.783 1.00 0.20 H new ATOM 0 HA THR A 77 4.815 -6.152 -5.470 1.00 0.16 H new ATOM 0 HB THR A 77 5.990 -8.381 -3.803 1.00 0.15 H new ATOM 0 HG1 THR A 77 6.764 -7.644 -6.481 1.00 0.21 H new ATOM 0 HG21 THR A 77 5.043 -9.764 -5.627 1.00 0.26 H new ATOM 0 HG22 THR A 77 3.794 -8.755 -4.860 1.00 0.26 H new ATOM 0 HG23 THR A 77 4.468 -8.289 -6.440 1.00 0.26 H new ATOM 87 N LEU A 78 3.324 -5.594 -3.501 1.00 0.17 N ATOM 88 CA LEU A 78 2.344 -5.414 -2.447 1.00 0.20 C ATOM 89 C LEU A 78 1.296 -6.518 -2.523 1.00 0.18 C ATOM 90 O LEU A 78 0.432 -6.510 -3.403 1.00 0.20 O ATOM 91 CB LEU A 78 1.672 -4.040 -2.573 1.00 0.22 C ATOM 92 CG LEU A 78 2.611 -2.870 -2.887 1.00 0.30 C ATOM 93 CD1 LEU A 78 1.828 -1.572 -2.984 1.00 0.69 C ATOM 94 CD2 LEU A 78 3.702 -2.751 -1.837 1.00 0.72 C ATOM 0 H LEU A 78 3.174 -5.003 -4.319 1.00 0.17 H new ATOM 0 HA LEU A 78 2.849 -5.467 -1.483 1.00 0.20 H new ATOM 0 HB2 LEU A 78 0.916 -4.096 -3.356 1.00 0.22 H new ATOM 0 HB3 LEU A 78 1.150 -3.824 -1.641 1.00 0.22 H new ATOM 0 HG LEU A 78 3.085 -3.066 -3.849 1.00 0.30 H new ATOM 0 HD11 LEU A 78 2.510 -0.752 -3.207 1.00 0.69 H new ATOM 0 HD12 LEU A 78 1.086 -1.653 -3.778 1.00 0.69 H new ATOM 0 HD13 LEU A 78 1.326 -1.378 -2.036 1.00 0.69 H new ATOM 0 HD21 LEU A 78 4.354 -1.913 -2.083 1.00 0.72 H new ATOM 0 HD22 LEU A 78 3.250 -2.583 -0.860 1.00 0.72 H new ATOM 0 HD23 LEU A 78 4.286 -3.671 -1.813 1.00 0.72 H new ATOM 106 N LYS A 79 1.383 -7.477 -1.617 1.00 0.19 N ATOM 107 CA LYS A 79 0.454 -8.589 -1.620 1.00 0.19 C ATOM 108 C LYS A 79 -0.658 -8.356 -0.603 1.00 0.17 C ATOM 109 O LYS A 79 -0.414 -8.314 0.607 1.00 0.18 O ATOM 110 CB LYS A 79 1.183 -9.906 -1.341 1.00 0.29 C ATOM 111 CG LYS A 79 0.283 -11.129 -1.452 1.00 0.35 C ATOM 112 CD LYS A 79 1.079 -12.429 -1.499 1.00 0.88 C ATOM 113 CE LYS A 79 1.811 -12.714 -0.192 1.00 0.97 C ATOM 114 NZ LYS A 79 0.875 -12.878 0.951 1.00 1.39 N ATOM 0 H LYS A 79 2.083 -7.507 -0.876 1.00 0.19 H new ATOM 0 HA LYS A 79 0.003 -8.659 -2.610 1.00 0.19 H new ATOM 0 HB2 LYS A 79 2.012 -10.009 -2.041 1.00 0.29 H new ATOM 0 HB3 LYS A 79 1.613 -9.870 -0.340 1.00 0.29 H new ATOM 0 HG2 LYS A 79 -0.400 -11.154 -0.603 1.00 0.35 H new ATOM 0 HG3 LYS A 79 -0.329 -11.047 -2.350 1.00 0.35 H new ATOM 0 HD2 LYS A 79 0.405 -13.256 -1.722 1.00 0.88 H new ATOM 0 HD3 LYS A 79 1.802 -12.379 -2.313 1.00 0.88 H new ATOM 0 HE2 LYS A 79 2.409 -13.618 -0.302 1.00 0.97 H new ATOM 0 HE3 LYS A 79 2.502 -11.899 0.021 1.00 0.97 H new ATOM 0 HZ1 LYS A 79 1.385 -13.283 1.762 1.00 1.39 H new ATOM 0 HZ2 LYS A 79 0.484 -11.951 1.215 1.00 1.39 H new ATOM 0 HZ3 LYS A 79 0.100 -13.515 0.677 1.00 1.39 H new ATOM 128 N LYS A 80 -1.874 -8.196 -1.108 1.00 0.20 N ATOM 129 CA LYS A 80 -3.023 -7.872 -0.277 1.00 0.20 C ATOM 130 C LYS A 80 -3.827 -9.120 0.049 1.00 0.26 C ATOM 131 O LYS A 80 -4.563 -9.640 -0.788 1.00 0.30 O ATOM 132 CB LYS A 80 -3.910 -6.848 -0.989 1.00 0.18 C ATOM 133 CG LYS A 80 -5.147 -6.448 -0.204 1.00 0.21 C ATOM 134 CD LYS A 80 -5.894 -5.329 -0.907 1.00 0.26 C ATOM 135 CE LYS A 80 -7.238 -5.052 -0.262 1.00 0.30 C ATOM 136 NZ LYS A 80 -7.955 -3.926 -0.922 1.00 0.40 N ATOM 0 H LYS A 80 -2.090 -8.287 -2.101 1.00 0.20 H new ATOM 0 HA LYS A 80 -2.660 -7.446 0.658 1.00 0.20 H new ATOM 0 HB2 LYS A 80 -3.321 -5.955 -1.198 1.00 0.18 H new ATOM 0 HB3 LYS A 80 -4.220 -7.257 -1.951 1.00 0.18 H new ATOM 0 HG2 LYS A 80 -5.803 -7.311 -0.086 1.00 0.21 H new ATOM 0 HG3 LYS A 80 -4.860 -6.126 0.797 1.00 0.21 H new ATOM 0 HD2 LYS A 80 -5.289 -4.422 -0.889 1.00 0.26 H new ATOM 0 HD3 LYS A 80 -6.042 -5.593 -1.954 1.00 0.26 H new ATOM 0 HE2 LYS A 80 -7.854 -5.950 -0.308 1.00 0.30 H new ATOM 0 HE3 LYS A 80 -7.092 -4.820 0.793 1.00 0.30 H new ATOM 0 HZ1 LYS A 80 -8.462 -3.369 -0.205 1.00 0.40 H new ATOM 0 HZ2 LYS A 80 -7.269 -3.317 -1.412 1.00 0.40 H new ATOM 0 HZ3 LYS A 80 -8.636 -4.304 -1.611 1.00 0.40 H new ATOM 150 N ILE A 81 -3.699 -9.575 1.281 1.00 0.33 N ATOM 151 CA ILE A 81 -4.385 -10.779 1.730 1.00 0.42 C ATOM 152 C ILE A 81 -5.468 -10.436 2.743 1.00 0.42 C ATOM 153 O ILE A 81 -5.652 -11.131 3.740 1.00 0.46 O ATOM 154 CB ILE A 81 -3.403 -11.803 2.343 1.00 0.53 C ATOM 155 CG1 ILE A 81 -2.511 -11.142 3.403 1.00 0.51 C ATOM 156 CG2 ILE A 81 -2.557 -12.437 1.250 1.00 0.64 C ATOM 157 CD1 ILE A 81 -1.611 -12.113 4.130 1.00 0.63 C ATOM 0 H ILE A 81 -3.124 -9.128 1.995 1.00 0.33 H new ATOM 0 HA ILE A 81 -4.845 -11.232 0.852 1.00 0.42 H new ATOM 0 HB ILE A 81 -3.983 -12.584 2.834 1.00 0.53 H new ATOM 0 HG12 ILE A 81 -1.897 -10.380 2.924 1.00 0.51 H new ATOM 0 HG13 ILE A 81 -3.143 -10.632 4.130 1.00 0.51 H new ATOM 0 HG21 ILE A 81 -1.869 -13.157 1.694 1.00 0.64 H new ATOM 0 HG22 ILE A 81 -3.206 -12.947 0.538 1.00 0.64 H new ATOM 0 HG23 ILE A 81 -1.989 -11.663 0.734 1.00 0.64 H new ATOM 0 HD11 ILE A 81 -1.011 -11.574 4.863 1.00 0.63 H new ATOM 0 HD12 ILE A 81 -2.219 -12.861 4.639 1.00 0.63 H new ATOM 0 HD13 ILE A 81 -0.953 -12.605 3.414 1.00 0.63 H new ATOM 169 N GLN A 82 -6.183 -9.353 2.479 1.00 0.44 N ATOM 170 CA GLN A 82 -7.213 -8.888 3.391 1.00 0.47 C ATOM 171 C GLN A 82 -8.600 -8.939 2.750 1.00 0.49 C ATOM 172 O GLN A 82 -9.296 -9.943 2.868 1.00 0.54 O ATOM 173 CB GLN A 82 -6.874 -7.479 3.870 1.00 0.46 C ATOM 174 CG GLN A 82 -5.671 -7.445 4.801 1.00 0.47 C ATOM 175 CD GLN A 82 -5.944 -8.132 6.126 1.00 0.57 C ATOM 176 OE1 GLN A 82 -7.069 -8.116 6.622 1.00 1.22 O ATOM 177 NE2 GLN A 82 -4.926 -8.750 6.701 1.00 1.15 N ATOM 0 H GLN A 82 -6.068 -8.782 1.642 1.00 0.44 H new ATOM 0 HA GLN A 82 -7.241 -9.556 4.252 1.00 0.47 H new ATOM 0 HB2 GLN A 82 -6.677 -6.844 3.006 1.00 0.46 H new ATOM 0 HB3 GLN A 82 -7.738 -7.058 4.385 1.00 0.46 H new ATOM 0 HG2 GLN A 82 -4.824 -7.927 4.313 1.00 0.47 H new ATOM 0 HG3 GLN A 82 -5.386 -6.409 4.984 1.00 0.47 H new ATOM 0 HE21 GLN A 82 -4.007 -8.741 6.258 1.00 1.15 H new ATOM 0 HE22 GLN A 82 -5.059 -9.236 7.588 1.00 1.15 H new ATOM 186 N ALA A 83 -8.995 -7.869 2.061 1.00 0.46 N ATOM 187 CA ALA A 83 -10.286 -7.838 1.369 1.00 0.50 C ATOM 188 C ALA A 83 -10.361 -6.644 0.419 1.00 0.47 C ATOM 189 O ALA A 83 -9.965 -5.537 0.780 1.00 0.47 O ATOM 190 CB ALA A 83 -11.429 -7.786 2.373 1.00 0.60 C ATOM 0 H ALA A 83 -8.444 -7.016 1.966 1.00 0.46 H new ATOM 0 HA ALA A 83 -10.379 -8.752 0.782 1.00 0.50 H new ATOM 0 HB1 ALA A 83 -12.380 -7.763 1.841 1.00 0.60 H new ATOM 0 HB2 ALA A 83 -11.392 -8.668 3.013 1.00 0.60 H new ATOM 0 HB3 ALA A 83 -11.335 -6.889 2.986 1.00 0.60 H new ATOM 196 N PRO A 84 -10.824 -6.851 -0.829 1.00 0.48 N ATOM 197 CA PRO A 84 -11.224 -8.160 -1.353 1.00 0.48 C ATOM 198 C PRO A 84 -10.024 -8.984 -1.814 1.00 0.40 C ATOM 199 O PRO A 84 -10.181 -9.993 -2.503 1.00 0.39 O ATOM 200 CB PRO A 84 -12.123 -7.823 -2.556 1.00 0.53 C ATOM 201 CG PRO A 84 -12.191 -6.329 -2.622 1.00 0.77 C ATOM 202 CD PRO A 84 -11.023 -5.809 -1.836 1.00 0.54 C ATOM 0 HA PRO A 84 -11.722 -8.760 -0.592 1.00 0.48 H new ATOM 0 HB2 PRO A 84 -11.711 -8.235 -3.477 1.00 0.53 H new ATOM 0 HB3 PRO A 84 -13.117 -8.253 -2.431 1.00 0.53 H new ATOM 0 HG2 PRO A 84 -12.146 -5.985 -3.655 1.00 0.77 H new ATOM 0 HG3 PRO A 84 -13.130 -5.966 -2.205 1.00 0.77 H new ATOM 0 HD2 PRO A 84 -10.140 -5.677 -2.462 1.00 0.54 H new ATOM 0 HD3 PRO A 84 -11.239 -4.842 -1.381 1.00 0.54 H new ATOM 210 N LYS A 85 -8.829 -8.521 -1.429 1.00 0.35 N ATOM 211 CA LYS A 85 -7.565 -9.220 -1.700 1.00 0.30 C ATOM 212 C LYS A 85 -7.135 -9.087 -3.163 1.00 0.27 C ATOM 213 O LYS A 85 -7.970 -8.988 -4.065 1.00 0.31 O ATOM 214 CB LYS A 85 -7.657 -10.706 -1.320 1.00 0.34 C ATOM 215 CG LYS A 85 -8.077 -10.950 0.122 1.00 0.41 C ATOM 216 CD LYS A 85 -8.225 -12.434 0.430 1.00 0.50 C ATOM 217 CE LYS A 85 -6.912 -13.185 0.263 1.00 1.33 C ATOM 218 NZ LYS A 85 -7.068 -14.636 0.540 1.00 1.96 N ATOM 0 H LYS A 85 -8.710 -7.646 -0.918 1.00 0.35 H new ATOM 0 HA LYS A 85 -6.808 -8.741 -1.079 1.00 0.30 H new ATOM 0 HB2 LYS A 85 -8.369 -11.197 -1.983 1.00 0.34 H new ATOM 0 HB3 LYS A 85 -6.688 -11.175 -1.490 1.00 0.34 H new ATOM 0 HG2 LYS A 85 -7.338 -10.512 0.794 1.00 0.41 H new ATOM 0 HG3 LYS A 85 -9.023 -10.444 0.315 1.00 0.41 H new ATOM 0 HD2 LYS A 85 -8.586 -12.558 1.451 1.00 0.50 H new ATOM 0 HD3 LYS A 85 -8.977 -12.868 -0.229 1.00 0.50 H new ATOM 0 HE2 LYS A 85 -6.541 -13.047 -0.752 1.00 1.33 H new ATOM 0 HE3 LYS A 85 -6.165 -12.765 0.936 1.00 1.33 H new ATOM 0 HZ1 LYS A 85 -6.152 -15.114 0.416 1.00 1.96 H new ATOM 0 HZ2 LYS A 85 -7.398 -14.769 1.517 1.00 1.96 H new ATOM 0 HZ3 LYS A 85 -7.763 -15.042 -0.119 1.00 1.96 H new ATOM 232 N PHE A 86 -5.821 -9.067 -3.369 1.00 0.24 N ATOM 233 CA PHE A 86 -5.210 -9.047 -4.698 1.00 0.23 C ATOM 234 C PHE A 86 -3.692 -9.052 -4.554 1.00 0.22 C ATOM 235 O PHE A 86 -3.173 -8.951 -3.442 1.00 0.24 O ATOM 236 CB PHE A 86 -5.661 -7.829 -5.535 1.00 0.26 C ATOM 237 CG PHE A 86 -5.378 -6.475 -4.924 1.00 0.25 C ATOM 238 CD1 PHE A 86 -4.077 -6.050 -4.693 1.00 0.27 C ATOM 239 CD2 PHE A 86 -6.419 -5.621 -4.601 1.00 0.30 C ATOM 240 CE1 PHE A 86 -3.822 -4.808 -4.150 1.00 0.30 C ATOM 241 CE2 PHE A 86 -6.168 -4.375 -4.057 1.00 0.32 C ATOM 242 CZ PHE A 86 -4.868 -3.970 -3.831 1.00 0.28 C ATOM 0 H PHE A 86 -5.141 -9.064 -2.609 1.00 0.24 H new ATOM 0 HA PHE A 86 -5.541 -9.938 -5.231 1.00 0.23 H new ATOM 0 HB2 PHE A 86 -5.172 -7.878 -6.508 1.00 0.26 H new ATOM 0 HB3 PHE A 86 -6.733 -7.910 -5.713 1.00 0.26 H new ATOM 0 HD1 PHE A 86 -3.252 -6.701 -4.942 1.00 0.27 H new ATOM 0 HD2 PHE A 86 -7.438 -5.932 -4.776 1.00 0.30 H new ATOM 0 HE1 PHE A 86 -2.804 -4.493 -3.975 1.00 0.30 H new ATOM 0 HE2 PHE A 86 -6.989 -3.719 -3.809 1.00 0.32 H new ATOM 0 HZ PHE A 86 -4.671 -2.997 -3.405 1.00 0.28 H new ATOM 252 N SER A 87 -2.982 -9.160 -5.663 1.00 0.22 N ATOM 253 CA SER A 87 -1.530 -9.097 -5.641 1.00 0.24 C ATOM 254 C SER A 87 -1.024 -8.144 -6.718 1.00 0.23 C ATOM 255 O SER A 87 -1.318 -8.316 -7.903 1.00 0.31 O ATOM 256 CB SER A 87 -0.934 -10.496 -5.825 1.00 0.34 C ATOM 257 OG SER A 87 -1.524 -11.169 -6.926 1.00 1.32 O ATOM 0 H SER A 87 -3.386 -9.292 -6.590 1.00 0.22 H new ATOM 0 HA SER A 87 -1.210 -8.715 -4.672 1.00 0.24 H new ATOM 0 HB2 SER A 87 0.142 -10.417 -5.979 1.00 0.34 H new ATOM 0 HB3 SER A 87 -1.084 -11.080 -4.917 1.00 0.34 H new ATOM 0 HG SER A 87 -1.671 -10.533 -7.657 1.00 1.32 H new ATOM 263 N ILE A 88 -0.294 -7.122 -6.297 1.00 0.18 N ATOM 264 CA ILE A 88 0.237 -6.131 -7.221 1.00 0.19 C ATOM 265 C ILE A 88 1.733 -5.964 -7.031 1.00 0.21 C ATOM 266 O ILE A 88 2.276 -6.298 -5.982 1.00 0.38 O ATOM 267 CB ILE A 88 -0.420 -4.745 -7.031 1.00 0.20 C ATOM 268 CG1 ILE A 88 -0.296 -4.296 -5.571 1.00 0.18 C ATOM 269 CG2 ILE A 88 -1.871 -4.765 -7.473 1.00 0.20 C ATOM 270 CD1 ILE A 88 -0.884 -2.929 -5.291 1.00 0.21 C ATOM 0 H ILE A 88 -0.055 -6.957 -5.319 1.00 0.18 H new ATOM 0 HA ILE A 88 0.015 -6.500 -8.222 1.00 0.19 H new ATOM 0 HB ILE A 88 0.105 -4.025 -7.659 1.00 0.20 H new ATOM 0 HG12 ILE A 88 -0.790 -5.029 -4.934 1.00 0.18 H new ATOM 0 HG13 ILE A 88 0.758 -4.290 -5.292 1.00 0.18 H new ATOM 0 HG21 ILE A 88 -2.309 -3.777 -7.329 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -1.926 -5.036 -8.527 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -2.422 -5.496 -6.881 1.00 0.20 H new ATOM 0 HD11 ILE A 88 -0.755 -2.687 -4.236 1.00 0.21 H new ATOM 0 HD12 ILE A 88 -0.374 -2.182 -5.900 1.00 0.21 H new ATOM 0 HD13 ILE A 88 -1.946 -2.933 -5.535 1.00 0.21 H new ATOM 282 N GLU A 89 2.392 -5.457 -8.051 1.00 0.21 N ATOM 283 CA GLU A 89 3.767 -5.038 -7.926 1.00 0.25 C ATOM 284 C GLU A 89 3.904 -3.638 -8.493 1.00 0.24 C ATOM 285 O GLU A 89 3.390 -3.345 -9.572 1.00 0.33 O ATOM 286 CB GLU A 89 4.714 -6.000 -8.637 1.00 0.30 C ATOM 287 CG GLU A 89 6.171 -5.641 -8.427 1.00 1.02 C ATOM 288 CD GLU A 89 7.120 -6.606 -9.094 1.00 1.07 C ATOM 289 OE1 GLU A 89 7.179 -6.626 -10.338 1.00 1.45 O ATOM 290 OE2 GLU A 89 7.817 -7.345 -8.372 1.00 0.93 O ATOM 0 H GLU A 89 1.993 -5.326 -8.980 1.00 0.21 H new ATOM 0 HA GLU A 89 4.042 -5.040 -6.871 1.00 0.25 H new ATOM 0 HB2 GLU A 89 4.537 -7.013 -8.275 1.00 0.30 H new ATOM 0 HB3 GLU A 89 4.493 -6.000 -9.704 1.00 0.30 H new ATOM 0 HG2 GLU A 89 6.351 -4.638 -8.813 1.00 1.02 H new ATOM 0 HG3 GLU A 89 6.382 -5.614 -7.358 1.00 1.02 H new ATOM 297 N HIS A 90 4.551 -2.765 -7.746 1.00 0.24 N ATOM 298 CA HIS A 90 4.698 -1.380 -8.155 1.00 0.28 C ATOM 299 C HIS A 90 6.153 -0.940 -8.049 1.00 0.33 C ATOM 300 O HIS A 90 6.828 -1.230 -7.062 1.00 0.44 O ATOM 301 CB HIS A 90 3.801 -0.473 -7.306 1.00 0.36 C ATOM 302 CG HIS A 90 2.355 -0.464 -7.718 1.00 1.10 C ATOM 303 ND1 HIS A 90 1.842 -1.259 -8.722 1.00 1.86 N ATOM 304 CD2 HIS A 90 1.312 0.260 -7.250 1.00 1.51 C ATOM 305 CE1 HIS A 90 0.550 -1.022 -8.852 1.00 2.42 C ATOM 306 NE2 HIS A 90 0.202 -0.105 -7.970 1.00 2.20 N ATOM 0 H HIS A 90 4.985 -2.990 -6.851 1.00 0.24 H new ATOM 0 HA HIS A 90 4.389 -1.295 -9.197 1.00 0.28 H new ATOM 0 HB2 HIS A 90 3.867 -0.789 -6.265 1.00 0.36 H new ATOM 0 HB3 HIS A 90 4.186 0.546 -7.355 1.00 0.36 H new ATOM 0 HD1 HIS A 90 2.378 -1.926 -9.277 1.00 1.86 H new ATOM 0 HD2 HIS A 90 1.347 0.991 -6.456 1.00 1.51 H new ATOM 0 HE1 HIS A 90 -0.111 -1.499 -9.561 1.00 2.42 H new ATOM 0 HE2 HIS A 90 -0.738 0.271 -7.844 1.00 2.20 H new ATOM 315 N ASP A 91 6.626 -0.250 -9.074 1.00 0.39 N ATOM 316 CA ASP A 91 8.012 0.195 -9.133 1.00 0.47 C ATOM 317 C ASP A 91 8.139 1.635 -8.664 1.00 0.45 C ATOM 318 O ASP A 91 7.489 2.536 -9.203 1.00 0.54 O ATOM 319 CB ASP A 91 8.555 0.075 -10.558 1.00 0.65 C ATOM 320 CG ASP A 91 8.742 -1.360 -10.997 1.00 1.18 C ATOM 321 OD1 ASP A 91 7.768 -1.973 -11.478 1.00 1.83 O ATOM 322 OD2 ASP A 91 9.875 -1.877 -10.884 1.00 1.73 O ATOM 0 H ASP A 91 6.066 0.017 -9.884 1.00 0.39 H new ATOM 0 HA ASP A 91 8.595 -0.446 -8.471 1.00 0.47 H new ATOM 0 HB2 ASP A 91 7.872 0.574 -11.245 1.00 0.65 H new ATOM 0 HB3 ASP A 91 9.510 0.597 -10.623 1.00 0.65 H new ATOM 327 N PHE A 92 8.977 1.851 -7.664 1.00 0.40 N ATOM 328 CA PHE A 92 9.208 3.184 -7.135 1.00 0.43 C ATOM 329 C PHE A 92 10.696 3.422 -6.908 1.00 0.43 C ATOM 330 O PHE A 92 11.501 2.492 -6.950 1.00 0.45 O ATOM 331 CB PHE A 92 8.419 3.396 -5.840 1.00 0.44 C ATOM 332 CG PHE A 92 6.974 3.747 -6.071 1.00 0.55 C ATOM 333 CD1 PHE A 92 6.580 5.059 -6.292 1.00 0.83 C ATOM 334 CD2 PHE A 92 6.004 2.758 -6.061 1.00 0.53 C ATOM 335 CE1 PHE A 92 5.246 5.369 -6.502 1.00 0.97 C ATOM 336 CE2 PHE A 92 4.674 3.064 -6.270 1.00 0.68 C ATOM 337 CZ PHE A 92 4.310 4.423 -6.505 1.00 0.85 C ATOM 0 H PHE A 92 9.511 1.116 -7.200 1.00 0.40 H new ATOM 0 HA PHE A 92 8.856 3.909 -7.869 1.00 0.43 H new ATOM 0 HB2 PHE A 92 8.473 2.489 -5.238 1.00 0.44 H new ATOM 0 HB3 PHE A 92 8.890 4.191 -5.262 1.00 0.44 H new ATOM 0 HD1 PHE A 92 7.320 5.846 -6.300 1.00 0.83 H new ATOM 0 HD2 PHE A 92 6.293 1.732 -5.887 1.00 0.53 H new ATOM 0 HE1 PHE A 92 4.960 6.398 -6.666 1.00 0.97 H new ATOM 0 HE2 PHE A 92 3.923 2.288 -6.256 1.00 0.68 H new ATOM 0 HZ PHE A 92 3.277 4.684 -6.685 1.00 0.85 H new ATOM 347 N SER A 93 11.053 4.675 -6.684 1.00 0.48 N ATOM 348 CA SER A 93 12.446 5.062 -6.531 1.00 0.49 C ATOM 349 C SER A 93 12.846 5.056 -5.054 1.00 0.42 C ATOM 350 O SER A 93 12.031 5.352 -4.182 1.00 0.42 O ATOM 351 CB SER A 93 12.650 6.446 -7.141 1.00 0.63 C ATOM 352 OG SER A 93 12.107 6.507 -8.453 1.00 0.81 O ATOM 0 H SER A 93 10.392 5.448 -6.603 1.00 0.48 H new ATOM 0 HA SER A 93 13.081 4.344 -7.050 1.00 0.49 H new ATOM 0 HB2 SER A 93 12.176 7.199 -6.511 1.00 0.63 H new ATOM 0 HB3 SER A 93 13.714 6.681 -7.172 1.00 0.63 H new ATOM 0 HG SER A 93 12.247 7.403 -8.824 1.00 0.81 H new ATOM 358 N PRO A 94 14.117 4.723 -4.761 1.00 0.46 N ATOM 359 CA PRO A 94 14.603 4.528 -3.385 1.00 0.51 C ATOM 360 C PRO A 94 14.557 5.777 -2.507 1.00 0.52 C ATOM 361 O PRO A 94 14.791 5.690 -1.311 1.00 0.73 O ATOM 362 CB PRO A 94 16.054 4.077 -3.566 1.00 0.71 C ATOM 363 CG PRO A 94 16.438 4.529 -4.932 1.00 0.67 C ATOM 364 CD PRO A 94 15.181 4.487 -5.753 1.00 0.57 C ATOM 0 HA PRO A 94 13.963 3.815 -2.865 1.00 0.51 H new ATOM 0 HB2 PRO A 94 16.701 4.520 -2.809 1.00 0.71 H new ATOM 0 HB3 PRO A 94 16.145 2.995 -3.470 1.00 0.71 H new ATOM 0 HG2 PRO A 94 16.854 5.536 -4.907 1.00 0.67 H new ATOM 0 HG3 PRO A 94 17.203 3.879 -5.357 1.00 0.67 H new ATOM 0 HD2 PRO A 94 15.183 5.252 -6.530 1.00 0.57 H new ATOM 0 HD3 PRO A 94 15.059 3.526 -6.252 1.00 0.57 H new ATOM 372 N SER A 95 14.294 6.938 -3.080 1.00 0.47 N ATOM 373 CA SER A 95 14.148 8.144 -2.276 1.00 0.51 C ATOM 374 C SER A 95 12.724 8.673 -2.337 1.00 0.44 C ATOM 375 O SER A 95 12.438 9.780 -1.880 1.00 0.49 O ATOM 376 CB SER A 95 15.137 9.217 -2.718 1.00 0.62 C ATOM 377 OG SER A 95 16.472 8.752 -2.590 1.00 0.89 O ATOM 0 H SER A 95 14.178 7.074 -4.084 1.00 0.47 H new ATOM 0 HA SER A 95 14.368 7.881 -1.241 1.00 0.51 H new ATOM 0 HB2 SER A 95 14.941 9.495 -3.754 1.00 0.62 H new ATOM 0 HB3 SER A 95 15.000 10.115 -2.116 1.00 0.62 H new ATOM 0 HG SER A 95 17.092 9.453 -2.880 1.00 0.89 H new ATOM 383 N ASP A 96 11.832 7.875 -2.900 1.00 0.36 N ATOM 384 CA ASP A 96 10.428 8.242 -2.982 1.00 0.33 C ATOM 385 C ASP A 96 9.754 7.935 -1.658 1.00 0.26 C ATOM 386 O ASP A 96 10.340 7.278 -0.793 1.00 0.24 O ATOM 387 CB ASP A 96 9.751 7.481 -4.120 1.00 0.35 C ATOM 388 CG ASP A 96 8.673 8.298 -4.797 1.00 0.80 C ATOM 389 OD1 ASP A 96 8.732 9.539 -4.726 1.00 1.37 O ATOM 390 OD2 ASP A 96 7.740 7.700 -5.376 1.00 1.23 O ATOM 0 H ASP A 96 12.056 6.967 -3.308 1.00 0.36 H new ATOM 0 HA ASP A 96 10.340 9.309 -3.188 1.00 0.33 H new ATOM 0 HB2 ASP A 96 10.500 7.191 -4.857 1.00 0.35 H new ATOM 0 HB3 ASP A 96 9.315 6.561 -3.730 1.00 0.35 H new ATOM 395 N THR A 97 8.543 8.421 -1.485 1.00 0.28 N ATOM 396 CA THR A 97 7.831 8.225 -0.242 1.00 0.22 C ATOM 397 C THR A 97 6.685 7.245 -0.418 1.00 0.19 C ATOM 398 O THR A 97 6.081 7.157 -1.488 1.00 0.23 O ATOM 399 CB THR A 97 7.287 9.558 0.300 1.00 0.25 C ATOM 400 OG1 THR A 97 6.560 10.250 -0.724 1.00 0.32 O ATOM 401 CG2 THR A 97 8.421 10.436 0.805 1.00 0.31 C ATOM 0 H THR A 97 8.032 8.954 -2.189 1.00 0.28 H new ATOM 0 HA THR A 97 8.541 7.814 0.476 1.00 0.22 H new ATOM 0 HB THR A 97 6.617 9.339 1.131 1.00 0.25 H new ATOM 0 HG1 THR A 97 6.217 11.096 -0.367 1.00 0.32 H new ATOM 0 HG21 THR A 97 8.014 11.374 1.184 1.00 0.31 H new ATOM 0 HG22 THR A 97 8.951 9.921 1.606 1.00 0.31 H new ATOM 0 HG23 THR A 97 9.112 10.644 -0.012 1.00 0.31 H new ATOM 409 N ILE A 98 6.404 6.504 0.646 1.00 0.17 N ATOM 410 CA ILE A 98 5.278 5.583 0.682 1.00 0.18 C ATOM 411 C ILE A 98 3.977 6.315 0.363 1.00 0.18 C ATOM 412 O ILE A 98 3.046 5.726 -0.171 1.00 0.20 O ATOM 413 CB ILE A 98 5.175 4.883 2.064 1.00 0.18 C ATOM 414 CG1 ILE A 98 6.341 3.913 2.271 1.00 0.19 C ATOM 415 CG2 ILE A 98 3.854 4.146 2.219 1.00 0.24 C ATOM 416 CD1 ILE A 98 6.362 2.762 1.287 1.00 0.22 C ATOM 0 H ILE A 98 6.950 6.525 1.507 1.00 0.17 H new ATOM 0 HA ILE A 98 5.445 4.818 -0.077 1.00 0.18 H new ATOM 0 HB ILE A 98 5.222 5.661 2.826 1.00 0.18 H new ATOM 0 HG12 ILE A 98 7.278 4.464 2.191 1.00 0.19 H new ATOM 0 HG13 ILE A 98 6.292 3.512 3.283 1.00 0.19 H new ATOM 0 HG21 ILE A 98 3.817 3.668 3.198 1.00 0.24 H new ATOM 0 HG22 ILE A 98 3.030 4.854 2.129 1.00 0.24 H new ATOM 0 HG23 ILE A 98 3.767 3.387 1.441 1.00 0.24 H new ATOM 0 HD11 ILE A 98 7.216 2.119 1.498 1.00 0.22 H new ATOM 0 HD12 ILE A 98 5.442 2.186 1.382 1.00 0.22 H new ATOM 0 HD13 ILE A 98 6.443 3.152 0.272 1.00 0.22 H new ATOM 428 N LEU A 99 3.934 7.610 0.667 1.00 0.19 N ATOM 429 CA LEU A 99 2.764 8.435 0.381 1.00 0.21 C ATOM 430 C LEU A 99 2.453 8.418 -1.110 1.00 0.20 C ATOM 431 O LEU A 99 1.285 8.387 -1.501 1.00 0.21 O ATOM 432 CB LEU A 99 2.998 9.868 0.877 1.00 0.27 C ATOM 433 CG LEU A 99 1.757 10.768 0.941 1.00 0.36 C ATOM 434 CD1 LEU A 99 1.966 11.875 1.959 1.00 0.71 C ATOM 435 CD2 LEU A 99 1.443 11.372 -0.420 1.00 0.64 C ATOM 0 H LEU A 99 4.701 8.113 1.114 1.00 0.19 H new ATOM 0 HA LEU A 99 1.903 8.024 0.909 1.00 0.21 H new ATOM 0 HB2 LEU A 99 3.439 9.819 1.873 1.00 0.27 H new ATOM 0 HB3 LEU A 99 3.733 10.341 0.226 1.00 0.27 H new ATOM 0 HG LEU A 99 0.911 10.151 1.245 1.00 0.36 H new ATOM 0 HD11 LEU A 99 1.079 12.508 1.996 1.00 0.71 H new ATOM 0 HD12 LEU A 99 2.141 11.437 2.942 1.00 0.71 H new ATOM 0 HD13 LEU A 99 2.828 12.476 1.671 1.00 0.71 H new ATOM 0 HD21 LEU A 99 0.559 12.004 -0.342 1.00 0.64 H new ATOM 0 HD22 LEU A 99 2.289 11.971 -0.756 1.00 0.64 H new ATOM 0 HD23 LEU A 99 1.256 10.574 -1.138 1.00 0.64 H new ATOM 447 N GLN A 100 3.494 8.403 -1.940 1.00 0.20 N ATOM 448 CA GLN A 100 3.300 8.365 -3.381 1.00 0.21 C ATOM 449 C GLN A 100 2.611 7.062 -3.769 1.00 0.15 C ATOM 450 O GLN A 100 1.704 7.043 -4.604 1.00 0.13 O ATOM 451 CB GLN A 100 4.636 8.488 -4.115 1.00 0.29 C ATOM 452 CG GLN A 100 5.505 9.647 -3.641 1.00 0.39 C ATOM 453 CD GLN A 100 4.781 10.979 -3.647 1.00 0.45 C ATOM 454 OE1 GLN A 100 4.747 11.674 -4.662 1.00 0.70 O ATOM 455 NE2 GLN A 100 4.239 11.369 -2.501 1.00 0.53 N ATOM 0 H GLN A 100 4.469 8.416 -1.640 1.00 0.20 H new ATOM 0 HA GLN A 100 2.674 9.209 -3.670 1.00 0.21 H new ATOM 0 HB2 GLN A 100 5.192 7.558 -3.993 1.00 0.29 H new ATOM 0 HB3 GLN A 100 4.442 8.606 -5.181 1.00 0.29 H new ATOM 0 HG2 GLN A 100 5.859 9.438 -2.631 1.00 0.39 H new ATOM 0 HG3 GLN A 100 6.386 9.717 -4.279 1.00 0.39 H new ATOM 0 HE21 GLN A 100 4.288 10.764 -1.681 1.00 0.53 H new ATOM 0 HE22 GLN A 100 3.773 12.274 -2.439 1.00 0.53 H new ATOM 464 N ILE A 101 3.038 5.982 -3.124 1.00 0.13 N ATOM 465 CA ILE A 101 2.467 4.659 -3.348 1.00 0.12 C ATOM 466 C ILE A 101 1.032 4.609 -2.834 1.00 0.10 C ATOM 467 O ILE A 101 0.141 4.067 -3.487 1.00 0.11 O ATOM 468 CB ILE A 101 3.291 3.564 -2.635 1.00 0.15 C ATOM 469 CG1 ILE A 101 4.780 3.726 -2.951 1.00 0.17 C ATOM 470 CG2 ILE A 101 2.801 2.180 -3.044 1.00 0.20 C ATOM 471 CD1 ILE A 101 5.656 2.667 -2.319 1.00 0.21 C ATOM 0 H ILE A 101 3.788 5.999 -2.433 1.00 0.13 H new ATOM 0 HA ILE A 101 2.485 4.472 -4.422 1.00 0.12 H new ATOM 0 HB ILE A 101 3.156 3.671 -1.559 1.00 0.15 H new ATOM 0 HG12 ILE A 101 4.917 3.701 -4.032 1.00 0.17 H new ATOM 0 HG13 ILE A 101 5.110 4.708 -2.611 1.00 0.17 H new ATOM 0 HG21 ILE A 101 3.391 1.419 -2.533 1.00 0.20 H new ATOM 0 HG22 ILE A 101 1.752 2.070 -2.770 1.00 0.20 H new ATOM 0 HG23 ILE A 101 2.909 2.060 -4.122 1.00 0.20 H new ATOM 0 HD11 ILE A 101 6.697 2.848 -2.588 1.00 0.21 H new ATOM 0 HD12 ILE A 101 5.549 2.706 -1.235 1.00 0.21 H new ATOM 0 HD13 ILE A 101 5.354 1.683 -2.678 1.00 0.21 H new ATOM 483 N LYS A 102 0.827 5.188 -1.660 1.00 0.13 N ATOM 484 CA LYS A 102 -0.485 5.237 -1.033 1.00 0.17 C ATOM 485 C LYS A 102 -1.487 5.952 -1.928 1.00 0.15 C ATOM 486 O LYS A 102 -2.529 5.397 -2.277 1.00 0.17 O ATOM 487 CB LYS A 102 -0.400 5.955 0.314 1.00 0.28 C ATOM 488 CG LYS A 102 0.452 5.246 1.352 1.00 0.50 C ATOM 489 CD LYS A 102 -0.035 3.831 1.599 1.00 0.94 C ATOM 490 CE LYS A 102 0.597 3.230 2.841 1.00 0.81 C ATOM 491 NZ LYS A 102 0.169 3.939 4.074 1.00 0.83 N ATOM 0 H LYS A 102 1.564 5.636 -1.116 1.00 0.13 H new ATOM 0 HA LYS A 102 -0.823 4.213 -0.877 1.00 0.17 H new ATOM 0 HB2 LYS A 102 0.002 6.955 0.154 1.00 0.28 H new ATOM 0 HB3 LYS A 102 -1.408 6.077 0.711 1.00 0.28 H new ATOM 0 HG2 LYS A 102 1.489 5.222 1.018 1.00 0.50 H new ATOM 0 HG3 LYS A 102 0.431 5.807 2.286 1.00 0.50 H new ATOM 0 HD2 LYS A 102 -1.120 3.833 1.707 1.00 0.94 H new ATOM 0 HD3 LYS A 102 0.198 3.209 0.735 1.00 0.94 H new ATOM 0 HE2 LYS A 102 0.325 2.177 2.914 1.00 0.81 H new ATOM 0 HE3 LYS A 102 1.683 3.274 2.754 1.00 0.81 H new ATOM 0 HZ1 LYS A 102 1.007 4.216 4.624 1.00 0.83 H new ATOM 0 HZ2 LYS A 102 -0.372 4.789 3.816 1.00 0.83 H new ATOM 0 HZ3 LYS A 102 -0.428 3.309 4.647 1.00 0.83 H new ATOM 505 N GLN A 103 -1.155 7.178 -2.315 1.00 0.14 N ATOM 506 CA GLN A 103 -2.008 7.962 -3.199 1.00 0.14 C ATOM 507 C GLN A 103 -2.144 7.288 -4.552 1.00 0.13 C ATOM 508 O GLN A 103 -3.098 7.533 -5.289 1.00 0.16 O ATOM 509 CB GLN A 103 -1.443 9.364 -3.380 1.00 0.17 C ATOM 510 CG GLN A 103 -1.606 10.244 -2.154 1.00 0.23 C ATOM 511 CD GLN A 103 -3.017 10.781 -2.016 1.00 0.33 C ATOM 512 OE1 GLN A 103 -3.722 10.964 -3.009 1.00 0.83 O ATOM 513 NE2 GLN A 103 -3.437 11.048 -0.792 1.00 0.45 N ATOM 0 H GLN A 103 -0.298 7.652 -2.029 1.00 0.14 H new ATOM 0 HA GLN A 103 -2.994 8.032 -2.740 1.00 0.14 H new ATOM 0 HB2 GLN A 103 -0.384 9.291 -3.627 1.00 0.17 H new ATOM 0 HB3 GLN A 103 -1.937 9.840 -4.227 1.00 0.17 H new ATOM 0 HG2 GLN A 103 -1.348 9.673 -1.262 1.00 0.23 H new ATOM 0 HG3 GLN A 103 -0.906 11.078 -2.212 1.00 0.23 H new ATOM 0 HE21 GLN A 103 -2.823 10.883 0.005 1.00 0.45 H new ATOM 0 HE22 GLN A 103 -4.375 11.419 -0.645 1.00 0.45 H new ATOM 522 N HIS A 104 -1.194 6.426 -4.866 1.00 0.12 N ATOM 523 CA HIS A 104 -1.222 5.718 -6.137 1.00 0.12 C ATOM 524 C HIS A 104 -2.306 4.659 -6.083 1.00 0.12 C ATOM 525 O HIS A 104 -3.068 4.495 -7.026 1.00 0.18 O ATOM 526 CB HIS A 104 0.128 5.070 -6.456 1.00 0.14 C ATOM 527 CG HIS A 104 0.280 4.682 -7.899 1.00 0.22 C ATOM 528 ND1 HIS A 104 -0.391 3.626 -8.481 1.00 1.21 N ATOM 529 CD2 HIS A 104 1.028 5.232 -8.883 1.00 0.98 C ATOM 530 CE1 HIS A 104 -0.060 3.546 -9.756 1.00 0.95 C ATOM 531 NE2 HIS A 104 0.800 4.508 -10.026 1.00 0.54 N ATOM 0 H HIS A 104 -0.400 6.199 -4.267 1.00 0.12 H new ATOM 0 HA HIS A 104 -1.432 6.436 -6.929 1.00 0.12 H new ATOM 0 HB2 HIS A 104 0.927 5.762 -6.188 1.00 0.14 H new ATOM 0 HB3 HIS A 104 0.252 4.183 -5.834 1.00 0.14 H new ATOM 0 HD1 HIS A 104 -1.041 3.004 -8.001 1.00 1.21 H new ATOM 0 HD2 HIS A 104 1.684 6.084 -8.787 1.00 0.98 H new ATOM 0 HE1 HIS A 104 -0.431 2.816 -10.460 1.00 0.95 H new ATOM 540 N LEU A 105 -2.379 3.964 -4.955 1.00 0.11 N ATOM 541 CA LEU A 105 -3.388 2.937 -4.753 1.00 0.12 C ATOM 542 C LEU A 105 -4.773 3.563 -4.628 1.00 0.13 C ATOM 543 O LEU A 105 -5.768 2.984 -5.064 1.00 0.18 O ATOM 544 CB LEU A 105 -3.055 2.097 -3.519 1.00 0.13 C ATOM 545 CG LEU A 105 -1.711 1.362 -3.589 1.00 0.14 C ATOM 546 CD1 LEU A 105 -1.489 0.520 -2.345 1.00 0.17 C ATOM 547 CD2 LEU A 105 -1.639 0.494 -4.835 1.00 0.18 C ATOM 0 H LEU A 105 -1.748 4.095 -4.164 1.00 0.11 H new ATOM 0 HA LEU A 105 -3.392 2.279 -5.622 1.00 0.12 H new ATOM 0 HB2 LEU A 105 -3.054 2.746 -2.644 1.00 0.13 H new ATOM 0 HB3 LEU A 105 -3.848 1.364 -3.371 1.00 0.13 H new ATOM 0 HG LEU A 105 -0.920 2.110 -3.641 1.00 0.14 H new ATOM 0 HD11 LEU A 105 -0.529 0.009 -2.418 1.00 0.17 H new ATOM 0 HD12 LEU A 105 -1.491 1.163 -1.465 1.00 0.17 H new ATOM 0 HD13 LEU A 105 -2.287 -0.217 -2.257 1.00 0.17 H new ATOM 0 HD21 LEU A 105 -0.678 -0.019 -4.866 1.00 0.18 H new ATOM 0 HD22 LEU A 105 -2.443 -0.242 -4.813 1.00 0.18 H new ATOM 0 HD23 LEU A 105 -1.745 1.120 -5.721 1.00 0.18 H new ATOM 559 N ILE A 106 -4.832 4.753 -4.038 1.00 0.11 N ATOM 560 CA ILE A 106 -6.074 5.514 -3.985 1.00 0.13 C ATOM 561 C ILE A 106 -6.549 5.851 -5.393 1.00 0.14 C ATOM 562 O ILE A 106 -7.695 5.589 -5.762 1.00 0.17 O ATOM 563 CB ILE A 106 -5.909 6.837 -3.209 1.00 0.13 C ATOM 564 CG1 ILE A 106 -5.423 6.580 -1.786 1.00 0.14 C ATOM 565 CG2 ILE A 106 -7.223 7.607 -3.189 1.00 0.16 C ATOM 566 CD1 ILE A 106 -5.187 7.851 -1.001 1.00 0.15 C ATOM 0 H ILE A 106 -4.037 5.209 -3.591 1.00 0.11 H new ATOM 0 HA ILE A 106 -6.802 4.888 -3.470 1.00 0.13 H new ATOM 0 HB ILE A 106 -5.157 7.438 -3.720 1.00 0.13 H new ATOM 0 HG12 ILE A 106 -6.157 5.968 -1.263 1.00 0.14 H new ATOM 0 HG13 ILE A 106 -4.497 6.006 -1.823 1.00 0.14 H new ATOM 0 HG21 ILE A 106 -7.091 8.538 -2.638 1.00 0.16 H new ATOM 0 HG22 ILE A 106 -7.529 7.831 -4.211 1.00 0.16 H new ATOM 0 HG23 ILE A 106 -7.991 7.004 -2.704 1.00 0.16 H new ATOM 0 HD11 ILE A 106 -4.843 7.600 0.002 1.00 0.15 H new ATOM 0 HD12 ILE A 106 -4.431 8.454 -1.504 1.00 0.15 H new ATOM 0 HD13 ILE A 106 -6.117 8.416 -0.935 1.00 0.15 H new ATOM 578 N SER A 107 -5.646 6.417 -6.179 1.00 0.13 N ATOM 579 CA SER A 107 -5.978 6.914 -7.500 1.00 0.17 C ATOM 580 C SER A 107 -6.288 5.773 -8.479 1.00 0.18 C ATOM 581 O SER A 107 -7.008 5.972 -9.458 1.00 0.27 O ATOM 582 CB SER A 107 -4.838 7.804 -8.013 1.00 0.23 C ATOM 583 OG SER A 107 -3.600 7.113 -8.008 1.00 0.61 O ATOM 0 H SER A 107 -4.668 6.543 -5.918 1.00 0.13 H new ATOM 0 HA SER A 107 -6.887 7.511 -7.428 1.00 0.17 H new ATOM 0 HB2 SER A 107 -5.064 8.141 -9.025 1.00 0.23 H new ATOM 0 HB3 SER A 107 -4.762 8.695 -7.390 1.00 0.23 H new ATOM 0 HG SER A 107 -3.739 6.195 -7.694 1.00 0.61 H new ATOM 589 N GLU A 108 -5.765 4.578 -8.208 1.00 0.16 N ATOM 590 CA GLU A 108 -6.061 3.417 -9.049 1.00 0.17 C ATOM 591 C GLU A 108 -7.192 2.578 -8.454 1.00 0.17 C ATOM 592 O GLU A 108 -7.368 1.412 -8.812 1.00 0.21 O ATOM 593 CB GLU A 108 -4.810 2.554 -9.270 1.00 0.20 C ATOM 594 CG GLU A 108 -4.210 1.996 -7.996 1.00 0.22 C ATOM 595 CD GLU A 108 -3.034 1.076 -8.252 1.00 0.28 C ATOM 596 OE1 GLU A 108 -3.254 -0.080 -8.676 1.00 0.35 O ATOM 597 OE2 GLU A 108 -1.881 1.504 -8.035 1.00 0.42 O ATOM 0 H GLU A 108 -5.142 4.388 -7.423 1.00 0.16 H new ATOM 0 HA GLU A 108 -6.389 3.793 -10.018 1.00 0.17 H new ATOM 0 HB2 GLU A 108 -5.065 1.726 -9.932 1.00 0.20 H new ATOM 0 HB3 GLU A 108 -4.056 3.151 -9.783 1.00 0.20 H new ATOM 0 HG2 GLU A 108 -3.888 2.821 -7.360 1.00 0.22 H new ATOM 0 HG3 GLU A 108 -4.978 1.451 -7.447 1.00 0.22 H new ATOM 604 N GLU A 109 -7.945 3.186 -7.536 1.00 0.16 N ATOM 605 CA GLU A 109 -9.143 2.575 -6.949 1.00 0.19 C ATOM 606 C GLU A 109 -8.841 1.226 -6.297 1.00 0.20 C ATOM 607 O GLU A 109 -9.627 0.281 -6.396 1.00 0.30 O ATOM 608 CB GLU A 109 -10.237 2.412 -8.004 1.00 0.24 C ATOM 609 CG GLU A 109 -10.627 3.712 -8.683 1.00 0.31 C ATOM 610 CD GLU A 109 -11.780 3.531 -9.643 1.00 1.02 C ATOM 611 OE1 GLU A 109 -11.563 2.975 -10.742 1.00 1.86 O ATOM 612 OE2 GLU A 109 -12.907 3.947 -9.309 1.00 0.95 O ATOM 0 H GLU A 109 -7.742 4.119 -7.176 1.00 0.16 H new ATOM 0 HA GLU A 109 -9.494 3.249 -6.168 1.00 0.19 H new ATOM 0 HB2 GLU A 109 -9.898 1.705 -8.761 1.00 0.24 H new ATOM 0 HB3 GLU A 109 -11.120 1.978 -7.535 1.00 0.24 H new ATOM 0 HG2 GLU A 109 -10.899 4.448 -7.926 1.00 0.31 H new ATOM 0 HG3 GLU A 109 -9.767 4.111 -9.221 1.00 0.31 H new ATOM 619 N LYS A 110 -7.700 1.143 -5.637 1.00 0.15 N ATOM 620 CA LYS A 110 -7.325 -0.051 -4.896 1.00 0.17 C ATOM 621 C LYS A 110 -7.491 0.208 -3.404 1.00 0.19 C ATOM 622 O LYS A 110 -7.371 -0.698 -2.575 1.00 0.27 O ATOM 623 CB LYS A 110 -5.877 -0.433 -5.213 1.00 0.21 C ATOM 624 CG LYS A 110 -5.643 -0.782 -6.673 1.00 0.23 C ATOM 625 CD LYS A 110 -6.254 -2.115 -7.057 1.00 0.23 C ATOM 626 CE LYS A 110 -6.125 -2.361 -8.552 1.00 0.36 C ATOM 627 NZ LYS A 110 -4.703 -2.404 -8.992 1.00 1.22 N ATOM 0 H LYS A 110 -7.011 1.894 -5.598 1.00 0.15 H new ATOM 0 HA LYS A 110 -7.971 -0.878 -5.189 1.00 0.17 H new ATOM 0 HB2 LYS A 110 -5.224 0.395 -4.937 1.00 0.21 H new ATOM 0 HB3 LYS A 110 -5.591 -1.284 -4.595 1.00 0.21 H new ATOM 0 HG2 LYS A 110 -6.064 0.002 -7.302 1.00 0.23 H new ATOM 0 HG3 LYS A 110 -4.571 -0.807 -6.870 1.00 0.23 H new ATOM 0 HD2 LYS A 110 -5.760 -2.917 -6.509 1.00 0.23 H new ATOM 0 HD3 LYS A 110 -7.306 -2.133 -6.771 1.00 0.23 H new ATOM 0 HE2 LYS A 110 -6.612 -3.302 -8.807 1.00 0.36 H new ATOM 0 HE3 LYS A 110 -6.648 -1.574 -9.095 1.00 0.36 H new ATOM 0 HZ1 LYS A 110 -4.637 -2.895 -9.907 1.00 1.22 H new ATOM 0 HZ2 LYS A 110 -4.341 -1.434 -9.093 1.00 1.22 H new ATOM 0 HZ3 LYS A 110 -4.136 -2.913 -8.284 1.00 1.22 H new ATOM 641 N ALA A 111 -7.782 1.465 -3.083 1.00 0.16 N ATOM 642 CA ALA A 111 -7.963 1.899 -1.710 1.00 0.18 C ATOM 643 C ALA A 111 -8.711 3.225 -1.667 1.00 0.19 C ATOM 644 O ALA A 111 -9.042 3.798 -2.707 1.00 0.29 O ATOM 645 CB ALA A 111 -6.619 2.036 -1.021 1.00 0.20 C ATOM 0 H ALA A 111 -7.898 2.209 -3.771 1.00 0.16 H new ATOM 0 HA ALA A 111 -8.553 1.148 -1.184 1.00 0.18 H new ATOM 0 HB1 ALA A 111 -6.769 2.362 0.008 1.00 0.20 H new ATOM 0 HB2 ALA A 111 -6.108 1.073 -1.026 1.00 0.20 H new ATOM 0 HB3 ALA A 111 -6.012 2.771 -1.550 1.00 0.20 H new ATOM 651 N SER A 112 -8.961 3.714 -0.460 1.00 0.21 N ATOM 652 CA SER A 112 -9.703 4.949 -0.280 1.00 0.23 C ATOM 653 C SER A 112 -8.789 6.076 0.201 1.00 0.21 C ATOM 654 O SER A 112 -8.771 7.156 -0.382 1.00 0.26 O ATOM 655 CB SER A 112 -10.855 4.721 0.701 1.00 0.29 C ATOM 656 OG SER A 112 -11.561 5.920 0.966 1.00 1.23 O ATOM 0 H SER A 112 -8.659 3.272 0.408 1.00 0.21 H new ATOM 0 HA SER A 112 -10.115 5.253 -1.242 1.00 0.23 H new ATOM 0 HB2 SER A 112 -11.540 3.978 0.292 1.00 0.29 H new ATOM 0 HB3 SER A 112 -10.464 4.315 1.634 1.00 0.29 H new ATOM 0 HG SER A 112 -12.290 5.738 1.595 1.00 1.23 H new ATOM 662 N HIS A 113 -8.034 5.831 1.264 1.00 0.16 N ATOM 663 CA HIS A 113 -7.112 6.835 1.788 1.00 0.16 C ATOM 664 C HIS A 113 -5.725 6.232 1.924 1.00 0.14 C ATOM 665 O HIS A 113 -5.574 5.013 1.840 1.00 0.15 O ATOM 666 CB HIS A 113 -7.552 7.371 3.162 1.00 0.21 C ATOM 667 CG HIS A 113 -9.010 7.701 3.275 1.00 0.44 C ATOM 668 ND1 HIS A 113 -9.834 7.132 4.224 1.00 1.47 N ATOM 669 CD2 HIS A 113 -9.789 8.548 2.564 1.00 0.75 C ATOM 670 CE1 HIS A 113 -11.055 7.612 4.087 1.00 1.47 C ATOM 671 NE2 HIS A 113 -11.057 8.475 3.089 1.00 0.73 N ATOM 0 H HIS A 113 -8.040 4.951 1.779 1.00 0.16 H new ATOM 0 HA HIS A 113 -7.108 7.667 1.084 1.00 0.16 H new ATOM 0 HB2 HIS A 113 -7.303 6.630 3.921 1.00 0.21 H new ATOM 0 HB3 HIS A 113 -6.973 8.267 3.388 1.00 0.21 H new ATOM 0 HD1 HIS A 113 -9.544 6.447 4.922 1.00 1.47 H new ATOM 0 HD2 HIS A 113 -9.473 9.167 1.737 1.00 0.75 H new ATOM 0 HE1 HIS A 113 -11.910 7.344 4.690 1.00 1.47 H new ATOM 680 N ILE A 114 -4.724 7.070 2.150 1.00 0.15 N ATOM 681 CA ILE A 114 -3.358 6.594 2.345 1.00 0.17 C ATOM 682 C ILE A 114 -3.282 5.698 3.588 1.00 0.16 C ATOM 683 O ILE A 114 -2.510 4.739 3.643 1.00 0.26 O ATOM 684 CB ILE A 114 -2.363 7.771 2.505 1.00 0.18 C ATOM 685 CG1 ILE A 114 -2.720 8.624 3.729 1.00 0.18 C ATOM 686 CG2 ILE A 114 -2.342 8.627 1.247 1.00 0.22 C ATOM 687 CD1 ILE A 114 -1.786 9.792 3.953 1.00 0.23 C ATOM 0 H ILE A 114 -4.830 8.083 2.203 1.00 0.15 H new ATOM 0 HA ILE A 114 -3.080 6.024 1.459 1.00 0.17 H new ATOM 0 HB ILE A 114 -1.367 7.356 2.658 1.00 0.18 H new ATOM 0 HG12 ILE A 114 -3.736 9.001 3.614 1.00 0.18 H new ATOM 0 HG13 ILE A 114 -2.714 7.990 4.616 1.00 0.18 H new ATOM 0 HG21 ILE A 114 -1.638 9.449 1.378 1.00 0.22 H new ATOM 0 HG22 ILE A 114 -2.035 8.017 0.397 1.00 0.22 H new ATOM 0 HG23 ILE A 114 -3.338 9.029 1.064 1.00 0.22 H new ATOM 0 HD11 ILE A 114 -2.103 10.347 4.836 1.00 0.23 H new ATOM 0 HD12 ILE A 114 -0.771 9.423 4.101 1.00 0.23 H new ATOM 0 HD13 ILE A 114 -1.810 10.449 3.083 1.00 0.23 H new ATOM 699 N SER A 115 -4.106 6.027 4.576 1.00 0.14 N ATOM 700 CA SER A 115 -4.144 5.322 5.848 1.00 0.20 C ATOM 701 C SER A 115 -5.054 4.088 5.813 1.00 0.18 C ATOM 702 O SER A 115 -5.097 3.326 6.775 1.00 0.27 O ATOM 703 CB SER A 115 -4.599 6.291 6.935 1.00 0.29 C ATOM 704 OG SER A 115 -5.727 7.036 6.502 1.00 1.50 O ATOM 0 H SER A 115 -4.772 6.797 4.514 1.00 0.14 H new ATOM 0 HA SER A 115 -3.140 4.956 6.062 1.00 0.20 H new ATOM 0 HB2 SER A 115 -4.848 5.738 7.841 1.00 0.29 H new ATOM 0 HB3 SER A 115 -3.784 6.969 7.189 1.00 0.29 H new ATOM 0 HG SER A 115 -6.006 7.651 7.213 1.00 1.50 H new ATOM 710 N GLU A 116 -5.776 3.880 4.710 1.00 0.14 N ATOM 711 CA GLU A 116 -6.570 2.656 4.555 1.00 0.13 C ATOM 712 C GLU A 116 -5.660 1.539 4.074 1.00 0.11 C ATOM 713 O GLU A 116 -6.083 0.391 3.894 1.00 0.15 O ATOM 714 CB GLU A 116 -7.710 2.828 3.547 1.00 0.20 C ATOM 715 CG GLU A 116 -8.615 4.020 3.802 1.00 0.36 C ATOM 716 CD GLU A 116 -9.163 4.081 5.209 1.00 0.47 C ATOM 717 OE1 GLU A 116 -9.810 3.111 5.637 1.00 0.53 O ATOM 718 OE2 GLU A 116 -8.975 5.122 5.869 1.00 0.80 O ATOM 0 H GLU A 116 -5.829 4.528 3.924 1.00 0.14 H new ATOM 0 HA GLU A 116 -7.011 2.421 5.524 1.00 0.13 H new ATOM 0 HB2 GLU A 116 -7.282 2.922 2.549 1.00 0.20 H new ATOM 0 HB3 GLU A 116 -8.317 1.923 3.549 1.00 0.20 H new ATOM 0 HG2 GLU A 116 -8.060 4.936 3.598 1.00 0.36 H new ATOM 0 HG3 GLU A 116 -9.447 3.989 3.099 1.00 0.36 H new ATOM 725 N ILE A 117 -4.411 1.913 3.850 1.00 0.11 N ATOM 726 CA ILE A 117 -3.402 1.023 3.322 1.00 0.12 C ATOM 727 C ILE A 117 -2.296 0.826 4.343 1.00 0.16 C ATOM 728 O ILE A 117 -1.512 1.743 4.595 1.00 0.26 O ATOM 729 CB ILE A 117 -2.770 1.625 2.054 1.00 0.12 C ATOM 730 CG1 ILE A 117 -3.853 2.054 1.065 1.00 0.12 C ATOM 731 CG2 ILE A 117 -1.810 0.637 1.409 1.00 0.16 C ATOM 732 CD1 ILE A 117 -3.345 2.975 -0.022 1.00 0.14 C ATOM 0 H ILE A 117 -4.070 2.856 4.034 1.00 0.11 H new ATOM 0 HA ILE A 117 -3.880 0.072 3.090 1.00 0.12 H new ATOM 0 HB ILE A 117 -2.202 2.509 2.342 1.00 0.12 H new ATOM 0 HG12 ILE A 117 -4.286 1.166 0.605 1.00 0.12 H new ATOM 0 HG13 ILE A 117 -4.654 2.554 1.609 1.00 0.12 H new ATOM 0 HG21 ILE A 117 -1.375 1.083 0.515 1.00 0.16 H new ATOM 0 HG22 ILE A 117 -1.016 0.388 2.113 1.00 0.16 H new ATOM 0 HG23 ILE A 117 -2.350 -0.270 1.136 1.00 0.16 H new ATOM 0 HD11 ILE A 117 -4.166 3.240 -0.688 1.00 0.14 H new ATOM 0 HD12 ILE A 117 -2.938 3.880 0.429 1.00 0.14 H new ATOM 0 HD13 ILE A 117 -2.564 2.470 -0.591 1.00 0.14 H new ATOM 744 N LYS A 118 -2.227 -0.345 4.936 1.00 0.20 N ATOM 745 CA LYS A 118 -1.148 -0.636 5.851 1.00 0.26 C ATOM 746 C LYS A 118 -0.084 -1.445 5.127 1.00 0.17 C ATOM 747 O LYS A 118 -0.312 -2.588 4.757 1.00 0.19 O ATOM 748 CB LYS A 118 -1.669 -1.419 7.061 1.00 0.41 C ATOM 749 CG LYS A 118 -1.118 -0.965 8.413 1.00 0.53 C ATOM 750 CD LYS A 118 0.386 -1.185 8.551 1.00 0.35 C ATOM 751 CE LYS A 118 1.190 -0.001 8.037 1.00 0.71 C ATOM 752 NZ LYS A 118 0.842 1.263 8.738 1.00 1.01 N ATOM 0 H LYS A 118 -2.897 -1.103 4.803 1.00 0.20 H new ATOM 0 HA LYS A 118 -0.718 0.300 6.207 1.00 0.26 H new ATOM 0 HB2 LYS A 118 -2.756 -1.341 7.084 1.00 0.41 H new ATOM 0 HB3 LYS A 118 -1.428 -2.473 6.923 1.00 0.41 H new ATOM 0 HG2 LYS A 118 -1.339 0.093 8.552 1.00 0.53 H new ATOM 0 HG3 LYS A 118 -1.633 -1.505 9.208 1.00 0.53 H new ATOM 0 HD2 LYS A 118 0.631 -1.361 9.598 1.00 0.35 H new ATOM 0 HD3 LYS A 118 0.672 -2.082 8.002 1.00 0.35 H new ATOM 0 HE2 LYS A 118 2.253 -0.204 8.164 1.00 0.71 H new ATOM 0 HE3 LYS A 118 1.014 0.118 6.968 1.00 0.71 H new ATOM 0 HZ1 LYS A 118 1.652 1.914 8.703 1.00 1.01 H new ATOM 0 HZ2 LYS A 118 0.023 1.704 8.272 1.00 1.01 H new ATOM 0 HZ3 LYS A 118 0.606 1.056 9.730 1.00 1.01 H new ATOM 766 N LEU A 119 1.075 -0.849 4.928 1.00 0.20 N ATOM 767 CA LEU A 119 2.187 -1.554 4.321 1.00 0.19 C ATOM 768 C LEU A 119 3.129 -2.050 5.403 1.00 0.17 C ATOM 769 O LEU A 119 3.561 -1.280 6.259 1.00 0.19 O ATOM 770 CB LEU A 119 2.930 -0.647 3.331 1.00 0.27 C ATOM 771 CG LEU A 119 2.246 -0.454 1.972 1.00 0.26 C ATOM 772 CD1 LEU A 119 2.997 0.563 1.130 1.00 0.69 C ATOM 773 CD2 LEU A 119 2.163 -1.776 1.235 1.00 0.73 C ATOM 0 H LEU A 119 1.271 0.120 5.177 1.00 0.20 H new ATOM 0 HA LEU A 119 1.802 -2.410 3.767 1.00 0.19 H new ATOM 0 HB2 LEU A 119 3.065 0.331 3.792 1.00 0.27 H new ATOM 0 HB3 LEU A 119 3.924 -1.060 3.162 1.00 0.27 H new ATOM 0 HG LEU A 119 1.237 -0.080 2.148 1.00 0.26 H new ATOM 0 HD11 LEU A 119 2.494 0.684 0.171 1.00 0.69 H new ATOM 0 HD12 LEU A 119 3.020 1.520 1.651 1.00 0.69 H new ATOM 0 HD13 LEU A 119 4.017 0.216 0.964 1.00 0.69 H new ATOM 0 HD21 LEU A 119 1.675 -1.626 0.272 1.00 0.73 H new ATOM 0 HD22 LEU A 119 3.168 -2.168 1.076 1.00 0.73 H new ATOM 0 HD23 LEU A 119 1.586 -2.487 1.827 1.00 0.73 H new ATOM 785 N LEU A 120 3.403 -3.342 5.396 1.00 0.16 N ATOM 786 CA LEU A 120 4.329 -3.921 6.351 1.00 0.15 C ATOM 787 C LEU A 120 5.392 -4.722 5.620 1.00 0.18 C ATOM 788 O LEU A 120 5.089 -5.453 4.677 1.00 0.23 O ATOM 789 CB LEU A 120 3.612 -4.828 7.362 1.00 0.17 C ATOM 790 CG LEU A 120 2.414 -4.208 8.088 1.00 0.18 C ATOM 791 CD1 LEU A 120 1.130 -4.454 7.308 1.00 0.21 C ATOM 792 CD2 LEU A 120 2.300 -4.759 9.500 1.00 0.22 C ATOM 0 H LEU A 120 2.998 -4.009 4.740 1.00 0.16 H new ATOM 0 HA LEU A 120 4.791 -3.101 6.900 1.00 0.15 H new ATOM 0 HB2 LEU A 120 3.272 -5.723 6.840 1.00 0.17 H new ATOM 0 HB3 LEU A 120 4.337 -5.151 8.109 1.00 0.17 H new ATOM 0 HG LEU A 120 2.572 -3.132 8.154 1.00 0.18 H new ATOM 0 HD11 LEU A 120 0.290 -4.006 7.839 1.00 0.21 H new ATOM 0 HD12 LEU A 120 1.214 -4.005 6.318 1.00 0.21 H new ATOM 0 HD13 LEU A 120 0.965 -5.527 7.207 1.00 0.21 H new ATOM 0 HD21 LEU A 120 1.443 -4.306 9.999 1.00 0.22 H new ATOM 0 HD22 LEU A 120 2.167 -5.840 9.459 1.00 0.22 H new ATOM 0 HD23 LEU A 120 3.208 -4.526 10.056 1.00 0.22 H new ATOM 804 N LEU A 121 6.631 -4.576 6.048 1.00 0.19 N ATOM 805 CA LEU A 121 7.724 -5.331 5.467 1.00 0.25 C ATOM 806 C LEU A 121 8.308 -6.277 6.501 1.00 0.33 C ATOM 807 O LEU A 121 9.069 -5.861 7.377 1.00 0.37 O ATOM 808 CB LEU A 121 8.807 -4.387 4.931 1.00 0.29 C ATOM 809 CG LEU A 121 10.107 -5.065 4.479 1.00 0.53 C ATOM 810 CD1 LEU A 121 9.833 -6.114 3.410 1.00 1.36 C ATOM 811 CD2 LEU A 121 11.095 -4.028 3.967 1.00 1.18 C ATOM 0 H LEU A 121 6.906 -3.941 6.797 1.00 0.19 H new ATOM 0 HA LEU A 121 7.340 -5.916 4.632 1.00 0.25 H new ATOM 0 HB2 LEU A 121 8.396 -3.831 4.089 1.00 0.29 H new ATOM 0 HB3 LEU A 121 9.047 -3.660 5.707 1.00 0.29 H new ATOM 0 HG LEU A 121 10.545 -5.569 5.341 1.00 0.53 H new ATOM 0 HD11 LEU A 121 10.771 -6.579 3.108 1.00 1.36 H new ATOM 0 HD12 LEU A 121 9.163 -6.875 3.810 1.00 1.36 H new ATOM 0 HD13 LEU A 121 9.368 -5.640 2.546 1.00 1.36 H new ATOM 0 HD21 LEU A 121 12.012 -4.525 3.650 1.00 1.18 H new ATOM 0 HD22 LEU A 121 10.659 -3.497 3.121 1.00 1.18 H new ATOM 0 HD23 LEU A 121 11.323 -3.319 4.763 1.00 1.18 H new ATOM 823 N LYS A 122 7.922 -7.544 6.406 1.00 0.43 N ATOM 824 CA LYS A 122 8.458 -8.589 7.273 1.00 0.54 C ATOM 825 C LYS A 122 8.193 -8.252 8.747 1.00 0.44 C ATOM 826 O LYS A 122 9.033 -8.485 9.619 1.00 0.52 O ATOM 827 CB LYS A 122 9.959 -8.748 7.003 1.00 0.71 C ATOM 828 CG LYS A 122 10.541 -10.076 7.448 1.00 1.20 C ATOM 829 CD LYS A 122 12.038 -10.129 7.188 1.00 1.39 C ATOM 830 CE LYS A 122 12.610 -11.506 7.474 1.00 2.05 C ATOM 831 NZ LYS A 122 12.087 -12.529 6.531 1.00 2.47 N ATOM 0 H LYS A 122 7.233 -7.875 5.731 1.00 0.43 H new ATOM 0 HA LYS A 122 7.959 -9.534 7.057 1.00 0.54 H new ATOM 0 HB2 LYS A 122 10.138 -8.627 5.935 1.00 0.71 H new ATOM 0 HB3 LYS A 122 10.493 -7.944 7.509 1.00 0.71 H new ATOM 0 HG2 LYS A 122 10.347 -10.224 8.510 1.00 1.20 H new ATOM 0 HG3 LYS A 122 10.047 -10.890 6.917 1.00 1.20 H new ATOM 0 HD2 LYS A 122 12.237 -9.861 6.150 1.00 1.39 H new ATOM 0 HD3 LYS A 122 12.542 -9.389 7.810 1.00 1.39 H new ATOM 0 HE2 LYS A 122 13.697 -11.469 7.404 1.00 2.05 H new ATOM 0 HE3 LYS A 122 12.366 -11.796 8.496 1.00 2.05 H new ATOM 0 HZ1 LYS A 122 12.686 -13.378 6.573 1.00 2.47 H new ATOM 0 HZ2 LYS A 122 11.113 -12.779 6.795 1.00 2.47 H new ATOM 0 HZ3 LYS A 122 12.096 -12.147 5.564 1.00 2.47 H new ATOM 845 N GLY A 123 7.020 -7.686 9.010 1.00 0.36 N ATOM 846 CA GLY A 123 6.652 -7.319 10.365 1.00 0.39 C ATOM 847 C GLY A 123 6.855 -5.841 10.653 1.00 0.35 C ATOM 848 O GLY A 123 6.332 -5.319 11.638 1.00 0.47 O ATOM 0 H GLY A 123 6.314 -7.474 8.305 1.00 0.36 H new ATOM 0 HA2 GLY A 123 5.607 -7.577 10.535 1.00 0.39 H new ATOM 0 HA3 GLY A 123 7.243 -7.906 11.068 1.00 0.39 H new ATOM 852 N LYS A 124 7.610 -5.162 9.798 1.00 0.26 N ATOM 853 CA LYS A 124 7.903 -3.748 9.997 1.00 0.29 C ATOM 854 C LYS A 124 6.752 -2.878 9.500 1.00 0.23 C ATOM 855 O LYS A 124 6.382 -2.933 8.328 1.00 0.21 O ATOM 856 CB LYS A 124 9.202 -3.362 9.278 1.00 0.37 C ATOM 857 CG LYS A 124 9.618 -1.914 9.487 1.00 0.46 C ATOM 858 CD LYS A 124 9.823 -1.602 10.958 1.00 0.53 C ATOM 859 CE LYS A 124 10.195 -0.145 11.177 1.00 1.36 C ATOM 860 NZ LYS A 124 10.290 0.189 12.623 1.00 1.94 N ATOM 0 H LYS A 124 8.030 -5.567 8.961 1.00 0.26 H new ATOM 0 HA LYS A 124 8.028 -3.578 11.066 1.00 0.29 H new ATOM 0 HB2 LYS A 124 10.004 -4.013 9.624 1.00 0.37 H new ATOM 0 HB3 LYS A 124 9.082 -3.544 8.210 1.00 0.37 H new ATOM 0 HG2 LYS A 124 10.540 -1.716 8.940 1.00 0.46 H new ATOM 0 HG3 LYS A 124 8.856 -1.252 9.076 1.00 0.46 H new ATOM 0 HD2 LYS A 124 8.911 -1.832 11.509 1.00 0.53 H new ATOM 0 HD3 LYS A 124 10.608 -2.242 11.360 1.00 0.53 H new ATOM 0 HE2 LYS A 124 11.149 0.063 10.692 1.00 1.36 H new ATOM 0 HE3 LYS A 124 9.450 0.495 10.704 1.00 1.36 H new ATOM 0 HZ1 LYS A 124 10.546 1.191 12.732 1.00 1.94 H new ATOM 0 HZ2 LYS A 124 9.373 0.014 13.081 1.00 1.94 H new ATOM 0 HZ3 LYS A 124 11.018 -0.404 13.069 1.00 1.94 H new ATOM 874 N VAL A 125 6.192 -2.081 10.402 1.00 0.24 N ATOM 875 CA VAL A 125 5.100 -1.178 10.067 1.00 0.21 C ATOM 876 C VAL A 125 5.614 0.024 9.285 1.00 0.22 C ATOM 877 O VAL A 125 6.351 0.856 9.816 1.00 0.30 O ATOM 878 CB VAL A 125 4.374 -0.682 11.339 1.00 0.24 C ATOM 879 CG1 VAL A 125 3.310 0.355 11.000 1.00 0.26 C ATOM 880 CG2 VAL A 125 3.755 -1.853 12.084 1.00 0.27 C ATOM 0 H VAL A 125 6.480 -2.043 11.380 1.00 0.24 H new ATOM 0 HA VAL A 125 4.395 -1.737 9.452 1.00 0.21 H new ATOM 0 HB VAL A 125 5.113 -0.205 11.983 1.00 0.24 H new ATOM 0 HG11 VAL A 125 2.818 0.684 11.915 1.00 0.26 H new ATOM 0 HG12 VAL A 125 3.778 1.210 10.512 1.00 0.26 H new ATOM 0 HG13 VAL A 125 2.572 -0.086 10.330 1.00 0.26 H new ATOM 0 HG21 VAL A 125 3.247 -1.489 12.977 1.00 0.27 H new ATOM 0 HG22 VAL A 125 3.036 -2.356 11.438 1.00 0.27 H new ATOM 0 HG23 VAL A 125 4.537 -2.555 12.372 1.00 0.27 H new ATOM 890 N LEU A 126 5.235 0.107 8.021 1.00 0.20 N ATOM 891 CA LEU A 126 5.608 1.240 7.191 1.00 0.22 C ATOM 892 C LEU A 126 4.537 2.318 7.304 1.00 0.24 C ATOM 893 O LEU A 126 3.344 2.031 7.186 1.00 0.31 O ATOM 894 CB LEU A 126 5.776 0.805 5.729 1.00 0.22 C ATOM 895 CG LEU A 126 6.597 -0.472 5.516 1.00 0.22 C ATOM 896 CD1 LEU A 126 6.838 -0.712 4.033 1.00 0.30 C ATOM 897 CD2 LEU A 126 7.916 -0.398 6.269 1.00 0.23 C ATOM 0 H LEU A 126 4.669 -0.597 7.547 1.00 0.20 H new ATOM 0 HA LEU A 126 6.562 1.639 7.536 1.00 0.22 H new ATOM 0 HB2 LEU A 126 4.787 0.658 5.295 1.00 0.22 H new ATOM 0 HB3 LEU A 126 6.249 1.618 5.177 1.00 0.22 H new ATOM 0 HG LEU A 126 6.027 -1.313 5.912 1.00 0.22 H new ATOM 0 HD11 LEU A 126 7.422 -1.623 3.902 1.00 0.30 H new ATOM 0 HD12 LEU A 126 5.881 -0.818 3.521 1.00 0.30 H new ATOM 0 HD13 LEU A 126 7.383 0.133 3.612 1.00 0.30 H new ATOM 0 HD21 LEU A 126 8.482 -1.315 6.103 1.00 0.23 H new ATOM 0 HD22 LEU A 126 8.493 0.454 5.910 1.00 0.23 H new ATOM 0 HD23 LEU A 126 7.720 -0.280 7.335 1.00 0.23 H new ATOM 909 N HIS A 127 4.955 3.550 7.546 1.00 0.24 N ATOM 910 CA HIS A 127 4.006 4.630 7.788 1.00 0.25 C ATOM 911 C HIS A 127 3.537 5.258 6.486 1.00 0.22 C ATOM 912 O HIS A 127 4.081 4.968 5.420 1.00 0.28 O ATOM 913 CB HIS A 127 4.605 5.714 8.688 1.00 0.28 C ATOM 914 CG HIS A 127 4.914 5.255 10.083 1.00 0.74 C ATOM 915 ND1 HIS A 127 4.196 5.663 11.184 1.00 1.35 N ATOM 916 CD2 HIS A 127 5.883 4.435 10.554 1.00 1.31 C ATOM 917 CE1 HIS A 127 4.709 5.117 12.270 1.00 1.67 C ATOM 918 NE2 HIS A 127 5.735 4.366 11.917 1.00 1.62 N ATOM 0 H HIS A 127 5.936 3.828 7.580 1.00 0.24 H new ATOM 0 HA HIS A 127 3.150 4.186 8.296 1.00 0.25 H new ATOM 0 HB2 HIS A 127 5.521 6.086 8.229 1.00 0.28 H new ATOM 0 HB3 HIS A 127 3.910 6.553 8.739 1.00 0.28 H new ATOM 0 HD2 HIS A 127 6.634 3.929 9.966 1.00 1.31 H new ATOM 0 HE1 HIS A 127 4.350 5.261 13.278 1.00 1.67 H new ATOM 0 HE2 HIS A 127 6.321 3.824 12.552 1.00 1.62 H new ATOM 927 N ASP A 128 2.532 6.118 6.592 1.00 0.24 N ATOM 928 CA ASP A 128 1.936 6.788 5.436 1.00 0.25 C ATOM 929 C ASP A 128 2.987 7.420 4.518 1.00 0.20 C ATOM 930 O ASP A 128 2.980 7.177 3.316 1.00 0.22 O ATOM 931 CB ASP A 128 0.920 7.847 5.890 1.00 0.32 C ATOM 932 CG ASP A 128 1.433 8.730 7.010 1.00 0.35 C ATOM 933 OD1 ASP A 128 2.087 9.753 6.725 1.00 0.42 O ATOM 934 OD2 ASP A 128 1.180 8.401 8.189 1.00 0.45 O ATOM 0 H ASP A 128 2.104 6.373 7.482 1.00 0.24 H new ATOM 0 HA ASP A 128 1.422 6.021 4.857 1.00 0.25 H new ATOM 0 HB2 ASP A 128 0.652 8.472 5.038 1.00 0.32 H new ATOM 0 HB3 ASP A 128 0.008 7.348 6.219 1.00 0.32 H new ATOM 939 N ASN A 129 3.896 8.208 5.085 1.00 0.19 N ATOM 940 CA ASN A 129 4.872 8.952 4.286 1.00 0.19 C ATOM 941 C ASN A 129 6.308 8.476 4.548 1.00 0.17 C ATOM 942 O ASN A 129 7.257 9.259 4.489 1.00 0.22 O ATOM 943 CB ASN A 129 4.742 10.458 4.558 1.00 0.28 C ATOM 944 CG ASN A 129 5.489 11.315 3.550 1.00 1.11 C ATOM 945 OD1 ASN A 129 5.580 10.973 2.372 1.00 1.91 O ATOM 946 ND2 ASN A 129 6.030 12.433 4.004 1.00 1.48 N ATOM 0 H ASN A 129 3.979 8.349 6.092 1.00 0.19 H new ATOM 0 HA ASN A 129 4.655 8.761 3.235 1.00 0.19 H new ATOM 0 HB2 ASN A 129 3.687 10.733 4.548 1.00 0.28 H new ATOM 0 HB3 ASN A 129 5.118 10.674 5.558 1.00 0.28 H new ATOM 0 HD21 ASN A 129 6.544 13.045 3.370 1.00 1.48 H new ATOM 0 HD22 ASN A 129 5.933 12.683 4.988 1.00 1.48 H new ATOM 953 N LEU A 130 6.469 7.199 4.879 1.00 0.15 N ATOM 954 CA LEU A 130 7.800 6.639 5.123 1.00 0.19 C ATOM 955 C LEU A 130 8.629 6.681 3.834 1.00 0.15 C ATOM 956 O LEU A 130 8.149 6.313 2.767 1.00 0.14 O ATOM 957 CB LEU A 130 7.694 5.196 5.635 1.00 0.25 C ATOM 958 CG LEU A 130 8.696 4.796 6.733 1.00 0.33 C ATOM 959 CD1 LEU A 130 10.134 5.010 6.286 1.00 0.33 C ATOM 960 CD2 LEU A 130 8.425 5.566 8.014 1.00 0.39 C ATOM 0 H LEU A 130 5.703 6.534 4.985 1.00 0.15 H new ATOM 0 HA LEU A 130 8.295 7.240 5.886 1.00 0.19 H new ATOM 0 HB2 LEU A 130 6.685 5.040 6.017 1.00 0.25 H new ATOM 0 HB3 LEU A 130 7.823 4.521 4.789 1.00 0.25 H new ATOM 0 HG LEU A 130 8.560 3.732 6.925 1.00 0.33 H new ATOM 0 HD11 LEU A 130 10.812 4.716 7.088 1.00 0.33 H new ATOM 0 HD12 LEU A 130 10.334 4.405 5.402 1.00 0.33 H new ATOM 0 HD13 LEU A 130 10.288 6.062 6.048 1.00 0.33 H new ATOM 0 HD21 LEU A 130 9.144 5.268 8.777 1.00 0.39 H new ATOM 0 HD22 LEU A 130 8.520 6.635 7.823 1.00 0.39 H new ATOM 0 HD23 LEU A 130 7.415 5.348 8.363 1.00 0.39 H new ATOM 972 N PHE A 131 9.863 7.146 3.939 1.00 0.19 N ATOM 973 CA PHE A 131 10.754 7.238 2.787 1.00 0.19 C ATOM 974 C PHE A 131 11.352 5.875 2.462 1.00 0.19 C ATOM 975 O PHE A 131 11.766 5.137 3.357 1.00 0.21 O ATOM 976 CB PHE A 131 11.875 8.241 3.068 1.00 0.22 C ATOM 977 CG PHE A 131 11.407 9.666 3.168 1.00 0.28 C ATOM 978 CD1 PHE A 131 10.619 10.083 4.229 1.00 0.38 C ATOM 979 CD2 PHE A 131 11.761 10.591 2.200 1.00 0.35 C ATOM 980 CE1 PHE A 131 10.191 11.391 4.321 1.00 0.47 C ATOM 981 CE2 PHE A 131 11.337 11.901 2.288 1.00 0.44 C ATOM 982 CZ PHE A 131 10.551 12.302 3.350 1.00 0.47 C ATOM 0 H PHE A 131 10.275 7.468 4.815 1.00 0.19 H new ATOM 0 HA PHE A 131 10.173 7.579 1.930 1.00 0.19 H new ATOM 0 HB2 PHE A 131 12.371 7.966 3.999 1.00 0.22 H new ATOM 0 HB3 PHE A 131 12.621 8.169 2.276 1.00 0.22 H new ATOM 0 HD1 PHE A 131 10.336 9.375 4.994 1.00 0.38 H new ATOM 0 HD2 PHE A 131 12.376 10.284 1.367 1.00 0.35 H new ATOM 0 HE1 PHE A 131 9.575 11.701 5.152 1.00 0.47 H new ATOM 0 HE2 PHE A 131 11.620 12.613 1.526 1.00 0.44 H new ATOM 0 HZ PHE A 131 10.219 13.327 3.420 1.00 0.47 H new ATOM 992 N LEU A 132 11.412 5.550 1.173 1.00 0.19 N ATOM 993 CA LEU A 132 11.916 4.253 0.728 1.00 0.21 C ATOM 994 C LEU A 132 13.408 4.117 1.003 1.00 0.23 C ATOM 995 O LEU A 132 13.952 3.017 0.966 1.00 0.26 O ATOM 996 CB LEU A 132 11.624 4.028 -0.762 1.00 0.23 C ATOM 997 CG LEU A 132 10.243 3.438 -1.086 1.00 0.21 C ATOM 998 CD1 LEU A 132 9.123 4.362 -0.632 1.00 0.16 C ATOM 999 CD2 LEU A 132 10.124 3.160 -2.574 1.00 0.28 C ATOM 0 H LEU A 132 11.117 6.168 0.417 1.00 0.19 H new ATOM 0 HA LEU A 132 11.393 3.486 1.299 1.00 0.21 H new ATOM 0 HB2 LEU A 132 11.723 4.981 -1.281 1.00 0.23 H new ATOM 0 HB3 LEU A 132 12.387 3.364 -1.167 1.00 0.23 H new ATOM 0 HG LEU A 132 10.145 2.500 -0.540 1.00 0.21 H new ATOM 0 HD11 LEU A 132 8.160 3.914 -0.877 1.00 0.16 H new ATOM 0 HD12 LEU A 132 9.190 4.513 0.445 1.00 0.16 H new ATOM 0 HD13 LEU A 132 9.216 5.322 -1.139 1.00 0.16 H new ATOM 0 HD21 LEU A 132 9.140 2.742 -2.789 1.00 0.28 H new ATOM 0 HD22 LEU A 132 10.253 4.089 -3.129 1.00 0.28 H new ATOM 0 HD23 LEU A 132 10.894 2.449 -2.874 1.00 0.28 H new ATOM 1011 N SER A 133 14.062 5.237 1.278 1.00 0.24 N ATOM 1012 CA SER A 133 15.472 5.242 1.638 1.00 0.28 C ATOM 1013 C SER A 133 15.680 4.630 3.021 1.00 0.32 C ATOM 1014 O SER A 133 16.726 4.041 3.306 1.00 0.39 O ATOM 1015 CB SER A 133 16.005 6.676 1.592 1.00 0.33 C ATOM 1016 OG SER A 133 15.068 7.583 2.161 1.00 1.25 O ATOM 0 H SER A 133 13.633 6.162 1.258 1.00 0.24 H new ATOM 0 HA SER A 133 16.025 4.635 0.921 1.00 0.28 H new ATOM 0 HB2 SER A 133 16.949 6.735 2.133 1.00 0.33 H new ATOM 0 HB3 SER A 133 16.211 6.959 0.560 1.00 0.33 H new ATOM 0 HG SER A 133 15.429 8.493 2.123 1.00 1.25 H new ATOM 1022 N ASP A 134 14.670 4.762 3.872 1.00 0.32 N ATOM 1023 CA ASP A 134 14.712 4.182 5.207 1.00 0.38 C ATOM 1024 C ASP A 134 14.313 2.716 5.139 1.00 0.39 C ATOM 1025 O ASP A 134 14.742 1.895 5.952 1.00 0.49 O ATOM 1026 CB ASP A 134 13.767 4.941 6.145 1.00 0.40 C ATOM 1027 CG ASP A 134 13.841 4.455 7.581 1.00 1.12 C ATOM 1028 OD1 ASP A 134 13.155 3.472 7.922 1.00 1.93 O ATOM 1029 OD2 ASP A 134 14.586 5.063 8.379 1.00 1.33 O ATOM 0 H ASP A 134 13.810 5.267 3.660 1.00 0.32 H new ATOM 0 HA ASP A 134 15.727 4.261 5.598 1.00 0.38 H new ATOM 0 HB2 ASP A 134 14.009 6.003 6.114 1.00 0.40 H new ATOM 0 HB3 ASP A 134 12.744 4.836 5.784 1.00 0.40 H new ATOM 1034 N LEU A 135 13.502 2.396 4.142 1.00 0.34 N ATOM 1035 CA LEU A 135 13.006 1.042 3.950 1.00 0.36 C ATOM 1036 C LEU A 135 14.040 0.187 3.231 1.00 0.39 C ATOM 1037 O LEU A 135 14.449 -0.862 3.732 1.00 0.42 O ATOM 1038 CB LEU A 135 11.720 1.073 3.129 1.00 0.34 C ATOM 1039 CG LEU A 135 10.673 2.076 3.598 1.00 0.30 C ATOM 1040 CD1 LEU A 135 9.445 1.995 2.717 1.00 0.32 C ATOM 1041 CD2 LEU A 135 10.309 1.831 5.051 1.00 0.34 C ATOM 0 H LEU A 135 13.171 3.064 3.446 1.00 0.34 H new ATOM 0 HA LEU A 135 12.808 0.608 4.930 1.00 0.36 H new ATOM 0 HB2 LEU A 135 11.975 1.296 2.093 1.00 0.34 H new ATOM 0 HB3 LEU A 135 11.277 0.077 3.141 1.00 0.34 H new ATOM 0 HG LEU A 135 11.091 3.079 3.520 1.00 0.30 H new ATOM 0 HD11 LEU A 135 8.703 2.716 3.060 1.00 0.32 H new ATOM 0 HD12 LEU A 135 9.721 2.221 1.687 1.00 0.32 H new ATOM 0 HD13 LEU A 135 9.026 0.990 2.768 1.00 0.32 H new ATOM 0 HD21 LEU A 135 9.560 2.558 5.366 1.00 0.34 H new ATOM 0 HD22 LEU A 135 9.906 0.824 5.160 1.00 0.34 H new ATOM 0 HD23 LEU A 135 11.199 1.935 5.672 1.00 0.34 H new ATOM 1053 N LYS A 136 14.462 0.665 2.063 1.00 0.39 N ATOM 1054 CA LYS A 136 15.389 -0.050 1.198 1.00 0.42 C ATOM 1055 C LYS A 136 14.843 -1.432 0.858 1.00 0.41 C ATOM 1056 O LYS A 136 15.351 -2.456 1.325 1.00 0.47 O ATOM 1057 CB LYS A 136 16.772 -0.146 1.849 1.00 0.47 C ATOM 1058 CG LYS A 136 17.897 -0.436 0.867 1.00 1.24 C ATOM 1059 CD LYS A 136 17.977 0.629 -0.220 1.00 1.64 C ATOM 1060 CE LYS A 136 19.231 0.481 -1.067 1.00 2.49 C ATOM 1061 NZ LYS A 136 19.336 -0.867 -1.685 1.00 2.87 N ATOM 0 H LYS A 136 14.166 1.567 1.690 1.00 0.39 H new ATOM 0 HA LYS A 136 15.496 0.508 0.268 1.00 0.42 H new ATOM 0 HB2 LYS A 136 16.986 0.790 2.365 1.00 0.47 H new ATOM 0 HB3 LYS A 136 16.753 -0.930 2.606 1.00 0.47 H new ATOM 0 HG2 LYS A 136 18.845 -0.483 1.402 1.00 1.24 H new ATOM 0 HG3 LYS A 136 17.740 -1.413 0.410 1.00 1.24 H new ATOM 0 HD2 LYS A 136 17.097 0.562 -0.860 1.00 1.64 H new ATOM 0 HD3 LYS A 136 17.963 1.618 0.239 1.00 1.64 H new ATOM 0 HE2 LYS A 136 19.230 1.239 -1.850 1.00 2.49 H new ATOM 0 HE3 LYS A 136 20.109 0.664 -0.448 1.00 2.49 H new ATOM 0 HZ1 LYS A 136 20.107 -0.870 -2.383 1.00 2.87 H new ATOM 0 HZ2 LYS A 136 19.534 -1.573 -0.947 1.00 2.87 H new ATOM 0 HZ3 LYS A 136 18.440 -1.103 -2.158 1.00 2.87 H new ATOM 1075 N VAL A 137 13.786 -1.446 0.054 1.00 0.37 N ATOM 1076 CA VAL A 137 13.178 -2.690 -0.388 1.00 0.38 C ATOM 1077 C VAL A 137 14.063 -3.355 -1.433 1.00 0.43 C ATOM 1078 O VAL A 137 14.117 -2.929 -2.590 1.00 0.48 O ATOM 1079 CB VAL A 137 11.767 -2.463 -0.972 1.00 0.38 C ATOM 1080 CG1 VAL A 137 11.101 -3.785 -1.312 1.00 0.45 C ATOM 1081 CG2 VAL A 137 10.908 -1.663 -0.004 1.00 0.47 C ATOM 0 H VAL A 137 13.333 -0.605 -0.305 1.00 0.37 H new ATOM 0 HA VAL A 137 13.080 -3.338 0.483 1.00 0.38 H new ATOM 0 HB VAL A 137 11.871 -1.890 -1.893 1.00 0.38 H new ATOM 0 HG11 VAL A 137 10.108 -3.598 -1.722 1.00 0.45 H new ATOM 0 HG12 VAL A 137 11.703 -4.317 -2.049 1.00 0.45 H new ATOM 0 HG13 VAL A 137 11.013 -4.391 -0.410 1.00 0.45 H new ATOM 0 HG21 VAL A 137 9.918 -1.514 -0.434 1.00 0.47 H new ATOM 0 HG22 VAL A 137 10.817 -2.207 0.936 1.00 0.47 H new ATOM 0 HG23 VAL A 137 11.373 -0.695 0.180 1.00 0.47 H new ATOM 1091 N THR A 138 14.782 -4.370 -1.001 1.00 0.50 N ATOM 1092 CA THR A 138 15.666 -5.117 -1.872 1.00 0.60 C ATOM 1093 C THR A 138 14.901 -6.218 -2.604 1.00 0.55 C ATOM 1094 O THR A 138 13.796 -6.569 -2.196 1.00 0.51 O ATOM 1095 CB THR A 138 16.815 -5.737 -1.056 1.00 0.73 C ATOM 1096 OG1 THR A 138 16.280 -6.423 0.083 1.00 0.72 O ATOM 1097 CG2 THR A 138 17.794 -4.668 -0.593 1.00 0.88 C ATOM 0 H THR A 138 14.770 -4.701 -0.036 1.00 0.50 H new ATOM 0 HA THR A 138 16.079 -4.429 -2.610 1.00 0.60 H new ATOM 0 HB THR A 138 17.350 -6.440 -1.695 1.00 0.73 H new ATOM 0 HG1 THR A 138 17.012 -6.818 0.600 1.00 0.72 H new ATOM 0 HG21 THR A 138 18.596 -5.133 -0.019 1.00 0.88 H new ATOM 0 HG22 THR A 138 18.216 -4.161 -1.461 1.00 0.88 H new ATOM 0 HG23 THR A 138 17.273 -3.944 0.033 1.00 0.88 H new ATOM 1105 N PRO A 139 15.451 -6.758 -3.704 1.00 0.63 N ATOM 1106 CA PRO A 139 14.830 -7.864 -4.443 1.00 0.67 C ATOM 1107 C PRO A 139 14.354 -8.999 -3.533 1.00 0.63 C ATOM 1108 O PRO A 139 13.225 -9.477 -3.658 1.00 0.74 O ATOM 1109 CB PRO A 139 15.961 -8.346 -5.349 1.00 0.86 C ATOM 1110 CG PRO A 139 16.772 -7.126 -5.604 1.00 0.93 C ATOM 1111 CD PRO A 139 16.705 -6.310 -4.339 1.00 0.77 C ATOM 0 HA PRO A 139 13.933 -7.545 -4.974 1.00 0.67 H new ATOM 0 HB2 PRO A 139 16.553 -9.124 -4.867 1.00 0.86 H new ATOM 0 HB3 PRO A 139 15.575 -8.768 -6.277 1.00 0.86 H new ATOM 0 HG2 PRO A 139 17.802 -7.386 -5.846 1.00 0.93 H new ATOM 0 HG3 PRO A 139 16.377 -6.565 -6.451 1.00 0.93 H new ATOM 0 HD2 PRO A 139 17.567 -6.493 -3.698 1.00 0.77 H new ATOM 0 HD3 PRO A 139 16.687 -5.241 -4.552 1.00 0.77 H new ATOM 1119 N ALA A 140 15.208 -9.406 -2.599 1.00 0.64 N ATOM 1120 CA ALA A 140 14.886 -10.505 -1.693 1.00 0.72 C ATOM 1121 C ALA A 140 13.801 -10.112 -0.692 1.00 0.64 C ATOM 1122 O ALA A 140 13.125 -10.971 -0.124 1.00 0.77 O ATOM 1123 CB ALA A 140 16.136 -10.966 -0.960 1.00 0.89 C ATOM 0 H ALA A 140 16.128 -8.992 -2.449 1.00 0.64 H new ATOM 0 HA ALA A 140 14.499 -11.328 -2.295 1.00 0.72 H new ATOM 0 HB1 ALA A 140 15.882 -11.786 -0.288 1.00 0.89 H new ATOM 0 HB2 ALA A 140 16.877 -11.306 -1.683 1.00 0.89 H new ATOM 0 HB3 ALA A 140 16.546 -10.137 -0.383 1.00 0.89 H new ATOM 1129 N ASN A 141 13.624 -8.814 -0.493 1.00 0.54 N ATOM 1130 CA ASN A 141 12.649 -8.305 0.467 1.00 0.54 C ATOM 1131 C ASN A 141 11.560 -7.516 -0.247 1.00 0.42 C ATOM 1132 O ASN A 141 10.978 -6.590 0.314 1.00 0.42 O ATOM 1133 CB ASN A 141 13.337 -7.413 1.507 1.00 0.69 C ATOM 1134 CG ASN A 141 14.276 -8.186 2.415 1.00 0.82 C ATOM 1135 OD1 ASN A 141 14.040 -9.354 2.722 1.00 1.10 O ATOM 1136 ND2 ASN A 141 15.351 -7.543 2.848 1.00 1.02 N ATOM 0 H ASN A 141 14.145 -8.089 -0.986 1.00 0.54 H new ATOM 0 HA ASN A 141 12.194 -9.156 0.975 1.00 0.54 H new ATOM 0 HB2 ASN A 141 13.897 -6.630 0.995 1.00 0.69 H new ATOM 0 HB3 ASN A 141 12.578 -6.918 2.113 1.00 0.69 H new ATOM 0 HD21 ASN A 141 16.017 -8.017 3.458 1.00 1.02 H new ATOM 0 HD22 ASN A 141 15.512 -6.575 2.571 1.00 1.02 H new ATOM 1143 N SER A 142 11.281 -7.897 -1.487 1.00 0.36 N ATOM 1144 CA SER A 142 10.343 -7.163 -2.320 1.00 0.31 C ATOM 1145 C SER A 142 8.893 -7.500 -1.978 1.00 0.26 C ATOM 1146 O SER A 142 7.982 -6.753 -2.328 1.00 0.26 O ATOM 1147 CB SER A 142 10.619 -7.458 -3.795 1.00 0.37 C ATOM 1148 OG SER A 142 10.672 -8.858 -4.030 1.00 1.23 O ATOM 0 H SER A 142 11.694 -8.714 -1.938 1.00 0.36 H new ATOM 0 HA SER A 142 10.486 -6.100 -2.126 1.00 0.31 H new ATOM 0 HB2 SER A 142 9.839 -7.011 -4.412 1.00 0.37 H new ATOM 0 HB3 SER A 142 11.562 -6.999 -4.092 1.00 0.37 H new ATOM 0 HG SER A 142 11.592 -9.175 -3.914 1.00 1.23 H new ATOM 1154 N THR A 143 8.678 -8.624 -1.305 1.00 0.30 N ATOM 1155 CA THR A 143 7.333 -9.033 -0.935 1.00 0.31 C ATOM 1156 C THR A 143 6.837 -8.217 0.254 1.00 0.25 C ATOM 1157 O THR A 143 7.376 -8.313 1.360 1.00 0.34 O ATOM 1158 CB THR A 143 7.276 -10.534 -0.601 1.00 0.41 C ATOM 1159 OG1 THR A 143 7.870 -11.279 -1.670 1.00 0.48 O ATOM 1160 CG2 THR A 143 5.839 -10.996 -0.397 1.00 0.45 C ATOM 0 H THR A 143 9.414 -9.264 -1.007 1.00 0.30 H new ATOM 0 HA THR A 143 6.684 -8.850 -1.791 1.00 0.31 H new ATOM 0 HB THR A 143 7.825 -10.704 0.325 1.00 0.41 H new ATOM 0 HG1 THR A 143 7.837 -12.236 -1.460 1.00 0.48 H new ATOM 0 HG21 THR A 143 5.829 -12.060 -0.162 1.00 0.45 H new ATOM 0 HG22 THR A 143 5.391 -10.439 0.426 1.00 0.45 H new ATOM 0 HG23 THR A 143 5.267 -10.820 -1.308 1.00 0.45 H new ATOM 1168 N ILE A 144 5.821 -7.404 0.012 1.00 0.20 N ATOM 1169 CA ILE A 144 5.289 -6.513 1.029 1.00 0.18 C ATOM 1170 C ILE A 144 3.895 -6.961 1.453 1.00 0.18 C ATOM 1171 O ILE A 144 3.082 -7.359 0.617 1.00 0.24 O ATOM 1172 CB ILE A 144 5.205 -5.062 0.506 1.00 0.21 C ATOM 1173 CG1 ILE A 144 6.523 -4.638 -0.157 1.00 0.22 C ATOM 1174 CG2 ILE A 144 4.855 -4.106 1.637 1.00 0.27 C ATOM 1175 CD1 ILE A 144 7.714 -4.636 0.779 1.00 0.25 C ATOM 0 H ILE A 144 5.345 -7.343 -0.888 1.00 0.20 H new ATOM 0 HA ILE A 144 5.966 -6.549 1.883 1.00 0.18 H new ATOM 0 HB ILE A 144 4.416 -5.022 -0.245 1.00 0.21 H new ATOM 0 HG12 ILE A 144 6.731 -5.309 -0.990 1.00 0.22 H new ATOM 0 HG13 ILE A 144 6.402 -3.639 -0.575 1.00 0.22 H new ATOM 0 HG21 ILE A 144 4.800 -3.089 1.250 1.00 0.27 H new ATOM 0 HG22 ILE A 144 3.891 -4.384 2.063 1.00 0.27 H new ATOM 0 HG23 ILE A 144 5.622 -4.159 2.409 1.00 0.27 H new ATOM 0 HD11 ILE A 144 8.605 -4.325 0.233 1.00 0.25 H new ATOM 0 HD12 ILE A 144 7.531 -3.942 1.600 1.00 0.25 H new ATOM 0 HD13 ILE A 144 7.865 -5.639 1.178 1.00 0.25 H new ATOM 1187 N THR A 145 3.624 -6.898 2.744 1.00 0.14 N ATOM 1188 CA THR A 145 2.303 -7.195 3.258 1.00 0.14 C ATOM 1189 C THR A 145 1.448 -5.935 3.224 1.00 0.14 C ATOM 1190 O THR A 145 1.673 -5.010 4.002 1.00 0.19 O ATOM 1191 CB THR A 145 2.373 -7.718 4.705 1.00 0.17 C ATOM 1192 OG1 THR A 145 3.358 -8.758 4.803 1.00 0.21 O ATOM 1193 CG2 THR A 145 1.022 -8.254 5.155 1.00 0.19 C ATOM 0 H THR A 145 4.306 -6.642 3.458 1.00 0.14 H new ATOM 0 HA THR A 145 1.861 -7.969 2.630 1.00 0.14 H new ATOM 0 HB THR A 145 2.652 -6.887 5.353 1.00 0.17 H new ATOM 0 HG1 THR A 145 3.398 -9.085 5.726 1.00 0.21 H new ATOM 0 HG21 THR A 145 1.098 -8.617 6.180 1.00 0.19 H new ATOM 0 HG22 THR A 145 0.280 -7.457 5.106 1.00 0.19 H new ATOM 0 HG23 THR A 145 0.719 -9.072 4.501 1.00 0.19 H new ATOM 1201 N VAL A 146 0.490 -5.876 2.312 1.00 0.14 N ATOM 1202 CA VAL A 146 -0.360 -4.706 2.223 1.00 0.15 C ATOM 1203 C VAL A 146 -1.776 -5.015 2.716 1.00 0.15 C ATOM 1204 O VAL A 146 -2.521 -5.802 2.124 1.00 0.19 O ATOM 1205 CB VAL A 146 -0.380 -4.090 0.798 1.00 0.15 C ATOM 1206 CG1 VAL A 146 -1.005 -5.016 -0.228 1.00 0.16 C ATOM 1207 CG2 VAL A 146 -1.089 -2.750 0.811 1.00 0.20 C ATOM 0 H VAL A 146 0.286 -6.612 1.636 1.00 0.14 H new ATOM 0 HA VAL A 146 0.072 -3.952 2.881 1.00 0.15 H new ATOM 0 HB VAL A 146 0.658 -3.942 0.499 1.00 0.15 H new ATOM 0 HG11 VAL A 146 -0.993 -4.536 -1.206 1.00 0.16 H new ATOM 0 HG12 VAL A 146 -0.437 -5.945 -0.273 1.00 0.16 H new ATOM 0 HG13 VAL A 146 -2.034 -5.233 0.057 1.00 0.16 H new ATOM 0 HG21 VAL A 146 -1.094 -2.331 -0.195 1.00 0.20 H new ATOM 0 HG22 VAL A 146 -2.115 -2.885 1.154 1.00 0.20 H new ATOM 0 HG23 VAL A 146 -0.568 -2.069 1.484 1.00 0.20 H new ATOM 1217 N MET A 147 -2.120 -4.413 3.838 1.00 0.17 N ATOM 1218 CA MET A 147 -3.428 -4.580 4.437 1.00 0.18 C ATOM 1219 C MET A 147 -4.310 -3.394 4.075 1.00 0.15 C ATOM 1220 O MET A 147 -4.173 -2.310 4.640 1.00 0.19 O ATOM 1221 CB MET A 147 -3.302 -4.691 5.961 1.00 0.24 C ATOM 1222 CG MET A 147 -2.399 -5.823 6.425 1.00 0.26 C ATOM 1223 SD MET A 147 -2.203 -5.866 8.219 1.00 0.95 S ATOM 1224 CE MET A 147 -3.886 -6.189 8.742 1.00 1.62 C ATOM 0 H MET A 147 -1.499 -3.794 4.360 1.00 0.17 H new ATOM 0 HA MET A 147 -3.880 -5.496 4.056 1.00 0.18 H new ATOM 0 HB2 MET A 147 -2.918 -3.749 6.353 1.00 0.24 H new ATOM 0 HB3 MET A 147 -4.295 -4.833 6.388 1.00 0.24 H new ATOM 0 HG2 MET A 147 -2.811 -6.773 6.086 1.00 0.26 H new ATOM 0 HG3 MET A 147 -1.420 -5.715 5.959 1.00 0.26 H new ATOM 0 HE1 MET A 147 -4.275 -5.320 9.272 1.00 1.62 H new ATOM 0 HE2 MET A 147 -4.506 -6.389 7.868 1.00 1.62 H new ATOM 0 HE3 MET A 147 -3.901 -7.055 9.404 1.00 1.62 H new ATOM 1234 N ILE A 148 -5.204 -3.597 3.121 1.00 0.12 N ATOM 1235 CA ILE A 148 -6.101 -2.537 2.689 1.00 0.09 C ATOM 1236 C ILE A 148 -7.547 -2.926 2.908 1.00 0.10 C ATOM 1237 O ILE A 148 -7.935 -4.068 2.651 1.00 0.14 O ATOM 1238 CB ILE A 148 -5.936 -2.196 1.193 1.00 0.11 C ATOM 1239 CG1 ILE A 148 -4.503 -1.787 0.877 1.00 0.12 C ATOM 1240 CG2 ILE A 148 -6.904 -1.089 0.807 1.00 0.19 C ATOM 1241 CD1 ILE A 148 -4.248 -1.554 -0.597 1.00 0.14 C ATOM 0 H ILE A 148 -5.328 -4.483 2.632 1.00 0.12 H new ATOM 0 HA ILE A 148 -5.837 -1.666 3.289 1.00 0.09 H new ATOM 0 HB ILE A 148 -6.163 -3.088 0.609 1.00 0.11 H new ATOM 0 HG12 ILE A 148 -4.265 -0.876 1.426 1.00 0.12 H new ATOM 0 HG13 ILE A 148 -3.826 -2.562 1.236 1.00 0.12 H new ATOM 0 HG21 ILE A 148 -6.783 -0.852 -0.250 1.00 0.19 H new ATOM 0 HG22 ILE A 148 -7.926 -1.419 0.990 1.00 0.19 H new ATOM 0 HG23 ILE A 148 -6.697 -0.201 1.404 1.00 0.19 H new ATOM 0 HD11 ILE A 148 -3.207 -1.266 -0.745 1.00 0.14 H new ATOM 0 HD12 ILE A 148 -4.454 -2.470 -1.151 1.00 0.14 H new ATOM 0 HD13 ILE A 148 -4.899 -0.758 -0.958 1.00 0.14 H new ATOM 1253 N LYS A 149 -8.332 -1.971 3.368 1.00 0.12 N ATOM 1254 CA LYS A 149 -9.775 -2.121 3.431 1.00 0.16 C ATOM 1255 C LYS A 149 -10.410 -0.844 2.906 1.00 0.22 C ATOM 1256 O LYS A 149 -10.319 0.201 3.552 1.00 0.34 O ATOM 1257 CB LYS A 149 -10.238 -2.388 4.864 1.00 0.22 C ATOM 1258 CG LYS A 149 -9.662 -3.655 5.463 1.00 0.35 C ATOM 1259 CD LYS A 149 -10.247 -4.900 4.818 1.00 0.66 C ATOM 1260 CE LYS A 149 -9.790 -6.163 5.531 1.00 0.76 C ATOM 1261 NZ LYS A 149 -10.415 -6.307 6.874 1.00 1.18 N ATOM 0 H LYS A 149 -7.990 -1.072 3.708 1.00 0.12 H new ATOM 0 HA LYS A 149 -10.078 -2.974 2.823 1.00 0.16 H new ATOM 0 HB2 LYS A 149 -9.959 -1.541 5.491 1.00 0.22 H new ATOM 0 HB3 LYS A 149 -11.326 -2.451 4.879 1.00 0.22 H new ATOM 0 HG2 LYS A 149 -8.579 -3.656 5.339 1.00 0.35 H new ATOM 0 HG3 LYS A 149 -9.860 -3.673 6.535 1.00 0.35 H new ATOM 0 HD2 LYS A 149 -11.335 -4.844 4.837 1.00 0.66 H new ATOM 0 HD3 LYS A 149 -9.948 -4.943 3.771 1.00 0.66 H new ATOM 0 HE2 LYS A 149 -10.038 -7.032 4.922 1.00 0.76 H new ATOM 0 HE3 LYS A 149 -8.705 -6.146 5.637 1.00 0.76 H new ATOM 0 HZ1 LYS A 149 -10.241 -7.266 7.237 1.00 1.18 H new ATOM 0 HZ2 LYS A 149 -10.002 -5.610 7.526 1.00 1.18 H new ATOM 0 HZ3 LYS A 149 -11.440 -6.146 6.799 1.00 1.18 H new ATOM 1275 N PRO A 150 -11.011 -0.895 1.708 1.00 0.23 N ATOM 1276 CA PRO A 150 -11.622 0.281 1.082 1.00 0.30 C ATOM 1277 C PRO A 150 -12.715 0.890 1.956 1.00 0.45 C ATOM 1278 O PRO A 150 -13.839 0.384 1.999 1.00 0.78 O ATOM 1279 CB PRO A 150 -12.208 -0.265 -0.223 1.00 0.47 C ATOM 1280 CG PRO A 150 -11.467 -1.531 -0.481 1.00 0.44 C ATOM 1281 CD PRO A 150 -11.146 -2.097 0.870 1.00 0.29 C ATOM 0 HA PRO A 150 -10.901 1.084 0.926 1.00 0.30 H new ATOM 0 HB2 PRO A 150 -13.279 -0.447 -0.129 1.00 0.47 H new ATOM 0 HB3 PRO A 150 -12.076 0.443 -1.041 1.00 0.47 H new ATOM 0 HG2 PRO A 150 -12.071 -2.227 -1.063 1.00 0.44 H new ATOM 0 HG3 PRO A 150 -10.558 -1.343 -1.053 1.00 0.44 H new ATOM 0 HD2 PRO A 150 -11.937 -2.754 1.231 1.00 0.29 H new ATOM 0 HD3 PRO A 150 -10.227 -2.683 0.854 1.00 0.29 H new