USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1101 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: B 27 GLN : amide:sc= -0.191 K(o=0.85,f=-0.22) USER MOD Set 1.2: B 28 LYS NZ :NH3+ 177:sc= 1.04 (180deg=1.07) USER MOD Set 2.1: A 26 THR OG1 : rot 152:sc= 0.238 USER MOD Set 2.2: A 29 GLN : amide:sc= -1.23 K(o=-0.99,f=0.51) USER MOD Single : A 5 LYS NZ :NH3+ -133:sc= -0.206 (180deg=-0.343) USER MOD Single : A 7 LYS NZ :NH3+ 139:sc= -0.881 (180deg=-3.28!) USER MOD Single : A 14 GLN : amide:sc= -0.346 X(o=-0.35,f=0) USER MOD Single : A 20 ASN : amide:sc=-0.00284 X(o=-0.0028,f=0) USER MOD Single : A 22 THR OG1 : rot -14:sc= 0.638 USER MOD Single : A 27 GLN : amide:sc= 0.502 K(o=0.5,f=-4.1!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -114:sc= 0.249 (180deg=-0.865!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -76:sc= -0.0242 USER MOD Single : A 35 LYS NZ :NH3+ -174:sc=-0.000827 (180deg=-0.0421) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 165:sc= -1.61! (180deg=-2.41!) USER MOD Single : A 54 LYS NZ :NH3+ -173:sc= 0.401 (180deg=0.296) USER MOD Single : A 57 THR OG1 : rot 180:sc=-0.00432 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 139:sc= 0.558 (180deg=-1.04!) USER MOD Single : B 3 MET CE :methyl 162:sc= -0.0953 (180deg=-0.535) USER MOD Single : B 5 LYS NZ :NH3+ -138:sc= 0.477 (180deg=-0.0224) USER MOD Single : B 7 LYS NZ :NH3+ -150:sc= -0.208 (180deg=-1.26) USER MOD Single : B 14 GLN : amide:sc= -0.753 K(o=-0.75,f=-3.6!) USER MOD Single : B 20 ASN : amide:sc= -0.0255 X(o=-0.025,f=0) USER MOD Single : B 22 THR OG1 : rot -16:sc= 0.284 USER MOD Single : B 26 THR OG1 : rot 180:sc=-0.00775 USER MOD Single : B 29 GLN : amide:sc=-0.00664 X(o=-0.0066,f=-0.31) USER MOD Single : B 31 LYS NZ :NH3+ -116:sc= 0.00142 (180deg=-1.66!) USER MOD Single : B 32 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000936) USER MOD Single : B 34 THR OG1 : rot -76:sc= -1.02! USER MOD Single : B 35 LYS NZ :NH3+ -152:sc= -1.17 (180deg=-2.84!) USER MOD Single : B 37 LYS NZ :NH3+ 152:sc= 0.728 (180deg=0.38) USER MOD Single : B 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 LYS NZ :NH3+ -108:sc= 1.47 (180deg=0.0605) USER MOD Single : B 57 THR OG1 : rot 180:sc= -0.271 USER MOD Single : B 58 SER OG : rot 180:sc= -0.0478 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N LEU A 4 4.890 12.418 1.420 1.00 70.01 N ATOM 60 CA LEU A 4 4.065 11.293 1.932 1.00 24.24 C ATOM 61 C LEU A 4 4.832 9.934 1.868 1.00 74.54 C ATOM 62 O LEU A 4 4.435 8.961 2.527 1.00 5.11 O ATOM 63 CB LEU A 4 2.708 11.189 1.158 1.00 15.25 C ATOM 64 CG LEU A 4 1.662 12.354 1.357 1.00 65.32 C ATOM 65 CD1 LEU A 4 2.144 13.706 0.773 1.00 72.24 C ATOM 66 CD2 LEU A 4 0.280 11.963 0.773 1.00 4.45 C ATOM 0 HA LEU A 4 3.851 11.507 2.979 1.00 24.24 H new ATOM 0 HB2 LEU A 4 2.933 11.118 0.094 1.00 15.25 H new ATOM 0 HB3 LEU A 4 2.228 10.254 1.446 1.00 15.25 H new ATOM 0 HG LEU A 4 1.561 12.498 2.433 1.00 65.32 H new ATOM 0 HD11 LEU A 4 1.382 14.467 0.941 1.00 72.24 H new ATOM 0 HD12 LEU A 4 3.070 14.005 1.264 1.00 72.24 H new ATOM 0 HD13 LEU A 4 2.320 13.598 -0.297 1.00 72.24 H new ATOM 0 HD21 LEU A 4 -0.423 12.782 0.923 1.00 4.45 H new ATOM 0 HD22 LEU A 4 0.380 11.761 -0.293 1.00 4.45 H new ATOM 0 HD23 LEU A 4 -0.089 11.071 1.279 1.00 4.45 H new ATOM 78 N LYS A 5 5.930 9.899 1.073 1.00 10.24 N ATOM 79 CA LYS A 5 6.876 8.755 1.001 1.00 43.33 C ATOM 80 C LYS A 5 7.512 8.456 2.391 1.00 22.15 C ATOM 81 O LYS A 5 7.532 7.307 2.857 1.00 34.43 O ATOM 82 CB LYS A 5 7.996 9.094 -0.031 1.00 24.44 C ATOM 83 CG LYS A 5 9.074 8.001 -0.229 1.00 34.41 C ATOM 84 CD LYS A 5 8.516 6.702 -0.857 1.00 72.34 C ATOM 85 CE LYS A 5 9.590 5.610 -1.008 1.00 12.40 C ATOM 86 NZ LYS A 5 10.755 6.071 -1.805 1.00 70.53 N ATOM 0 H LYS A 5 6.187 10.671 0.458 1.00 10.24 H new ATOM 0 HA LYS A 5 6.328 7.866 0.689 1.00 43.33 H new ATOM 0 HB2 LYS A 5 7.528 9.297 -0.994 1.00 24.44 H new ATOM 0 HB3 LYS A 5 8.490 10.013 0.284 1.00 24.44 H new ATOM 0 HG2 LYS A 5 9.867 8.393 -0.866 1.00 34.41 H new ATOM 0 HG3 LYS A 5 9.526 7.766 0.735 1.00 34.41 H new ATOM 0 HD2 LYS A 5 7.703 6.324 -0.238 1.00 72.34 H new ATOM 0 HD3 LYS A 5 8.093 6.928 -1.836 1.00 72.34 H new ATOM 0 HE2 LYS A 5 9.929 5.298 -0.020 1.00 12.40 H new ATOM 0 HE3 LYS A 5 9.150 4.734 -1.485 1.00 12.40 H new ATOM 0 HZ1 LYS A 5 10.997 5.350 -2.514 1.00 70.53 H new ATOM 0 HZ2 LYS A 5 10.517 6.962 -2.285 1.00 70.53 H new ATOM 0 HZ3 LYS A 5 11.568 6.224 -1.175 1.00 70.53 H new ATOM 100 N GLU A 6 8.007 9.531 3.034 1.00 60.43 N ATOM 101 CA GLU A 6 8.695 9.473 4.347 1.00 13.23 C ATOM 102 C GLU A 6 7.701 9.030 5.464 1.00 23.23 C ATOM 103 O GLU A 6 8.070 8.322 6.411 1.00 70.14 O ATOM 104 CB GLU A 6 9.337 10.877 4.641 1.00 65.05 C ATOM 105 CG GLU A 6 10.526 10.904 5.646 1.00 51.53 C ATOM 106 CD GLU A 6 10.125 10.794 7.131 1.00 72.14 C ATOM 107 OE1 GLU A 6 9.609 11.790 7.689 1.00 11.13 O ATOM 108 OE2 GLU A 6 10.316 9.718 7.749 1.00 60.10 O ATOM 0 H GLU A 6 7.942 10.476 2.656 1.00 60.43 H new ATOM 0 HA GLU A 6 9.491 8.728 4.326 1.00 13.23 H new ATOM 0 HB2 GLU A 6 9.680 11.299 3.696 1.00 65.05 H new ATOM 0 HB3 GLU A 6 8.556 11.536 5.020 1.00 65.05 H new ATOM 0 HG2 GLU A 6 11.204 10.085 5.406 1.00 51.53 H new ATOM 0 HG3 GLU A 6 11.083 11.830 5.503 1.00 51.53 H new ATOM 115 N LYS A 7 6.425 9.431 5.305 1.00 62.42 N ATOM 116 CA LYS A 7 5.340 9.114 6.261 1.00 12.04 C ATOM 117 C LYS A 7 4.993 7.601 6.241 1.00 3.25 C ATOM 118 O LYS A 7 4.832 6.978 7.300 1.00 4.12 O ATOM 119 CB LYS A 7 4.095 10.003 5.946 1.00 23.32 C ATOM 120 CG LYS A 7 3.079 10.159 7.114 1.00 72.03 C ATOM 121 CD LYS A 7 2.024 9.032 7.215 1.00 73.30 C ATOM 122 CE LYS A 7 0.952 9.112 6.112 1.00 33.44 C ATOM 123 NZ LYS A 7 -0.192 8.218 6.397 1.00 53.21 N ATOM 0 H LYS A 7 6.114 9.986 4.508 1.00 62.42 H new ATOM 0 HA LYS A 7 5.678 9.339 7.272 1.00 12.04 H new ATOM 0 HB2 LYS A 7 4.441 10.994 5.652 1.00 23.32 H new ATOM 0 HB3 LYS A 7 3.574 9.580 5.087 1.00 23.32 H new ATOM 0 HG2 LYS A 7 3.631 10.205 8.053 1.00 72.03 H new ATOM 0 HG3 LYS A 7 2.562 11.112 7.001 1.00 72.03 H new ATOM 0 HD2 LYS A 7 2.525 8.066 7.157 1.00 73.30 H new ATOM 0 HD3 LYS A 7 1.539 9.082 8.190 1.00 73.30 H new ATOM 0 HE2 LYS A 7 0.598 10.139 6.022 1.00 33.44 H new ATOM 0 HE3 LYS A 7 1.395 8.842 5.153 1.00 33.44 H new ATOM 0 HZ1 LYS A 7 -1.080 8.703 6.156 1.00 53.21 H new ATOM 0 HZ2 LYS A 7 -0.105 7.351 5.829 1.00 53.21 H new ATOM 0 HZ3 LYS A 7 -0.196 7.970 7.407 1.00 53.21 H new ATOM 137 N ALA A 8 4.884 7.035 5.024 1.00 3.44 N ATOM 138 CA ALA A 8 4.614 5.588 4.807 1.00 74.05 C ATOM 139 C ALA A 8 5.699 4.681 5.452 1.00 53.01 C ATOM 140 O ALA A 8 5.393 3.591 5.957 1.00 12.03 O ATOM 141 CB ALA A 8 4.490 5.308 3.301 1.00 34.41 C ATOM 0 H ALA A 8 4.980 7.564 4.157 1.00 3.44 H new ATOM 0 HA ALA A 8 3.673 5.344 5.301 1.00 74.05 H new ATOM 0 HB1 ALA A 8 4.292 4.248 3.143 1.00 34.41 H new ATOM 0 HB2 ALA A 8 3.670 5.896 2.888 1.00 34.41 H new ATOM 0 HB3 ALA A 8 5.420 5.582 2.802 1.00 34.41 H new ATOM 147 N GLY A 9 6.962 5.167 5.438 1.00 22.54 N ATOM 148 CA GLY A 9 8.082 4.491 6.113 1.00 60.13 C ATOM 149 C GLY A 9 7.941 4.436 7.644 1.00 12.13 C ATOM 150 O GLY A 9 8.253 3.413 8.267 1.00 64.54 O ATOM 0 H GLY A 9 7.226 6.030 4.962 1.00 22.54 H new ATOM 0 HA2 GLY A 9 8.166 3.475 5.728 1.00 60.13 H new ATOM 0 HA3 GLY A 9 9.010 5.005 5.861 1.00 60.13 H new ATOM 154 N ALA A 10 7.448 5.539 8.246 1.00 21.44 N ATOM 155 CA ALA A 10 7.220 5.638 9.712 1.00 2.42 C ATOM 156 C ALA A 10 6.118 4.649 10.193 1.00 54.23 C ATOM 157 O ALA A 10 6.181 4.120 11.310 1.00 14.45 O ATOM 158 CB ALA A 10 6.852 7.082 10.097 1.00 3.01 C ATOM 0 H ALA A 10 7.196 6.386 7.736 1.00 21.44 H new ATOM 0 HA ALA A 10 8.149 5.361 10.211 1.00 2.42 H new ATOM 0 HB1 ALA A 10 6.688 7.141 11.173 1.00 3.01 H new ATOM 0 HB2 ALA A 10 7.665 7.752 9.817 1.00 3.01 H new ATOM 0 HB3 ALA A 10 5.942 7.377 9.574 1.00 3.01 H new ATOM 164 N LEU A 11 5.115 4.411 9.323 1.00 42.32 N ATOM 165 CA LEU A 11 4.024 3.436 9.569 1.00 41.21 C ATOM 166 C LEU A 11 4.558 1.986 9.578 1.00 61.05 C ATOM 167 O LEU A 11 4.169 1.173 10.428 1.00 61.03 O ATOM 168 CB LEU A 11 2.930 3.599 8.482 1.00 24.35 C ATOM 169 CG LEU A 11 2.246 5.000 8.431 1.00 32.53 C ATOM 170 CD1 LEU A 11 1.305 5.120 7.218 1.00 2.24 C ATOM 171 CD2 LEU A 11 1.510 5.306 9.759 1.00 42.33 C ATOM 0 H LEU A 11 5.036 4.890 8.426 1.00 42.32 H new ATOM 0 HA LEU A 11 3.596 3.637 10.551 1.00 41.21 H new ATOM 0 HB2 LEU A 11 3.375 3.394 7.508 1.00 24.35 H new ATOM 0 HB3 LEU A 11 2.162 2.843 8.647 1.00 24.35 H new ATOM 0 HG LEU A 11 3.027 5.750 8.308 1.00 32.53 H new ATOM 0 HD11 LEU A 11 0.844 6.108 7.211 1.00 2.24 H new ATOM 0 HD12 LEU A 11 1.875 4.979 6.300 1.00 2.24 H new ATOM 0 HD13 LEU A 11 0.529 4.358 7.283 1.00 2.24 H new ATOM 0 HD21 LEU A 11 1.042 6.288 9.697 1.00 42.33 H new ATOM 0 HD22 LEU A 11 0.745 4.550 9.934 1.00 42.33 H new ATOM 0 HD23 LEU A 11 2.225 5.296 10.582 1.00 42.33 H new ATOM 183 N ALA A 12 5.461 1.694 8.621 1.00 74.04 N ATOM 184 CA ALA A 12 6.113 0.370 8.474 1.00 64.11 C ATOM 185 C ALA A 12 6.874 -0.065 9.741 1.00 25.33 C ATOM 186 O ALA A 12 6.806 -1.232 10.146 1.00 70.45 O ATOM 187 CB ALA A 12 7.067 0.390 7.280 1.00 24.24 C ATOM 0 H ALA A 12 5.763 2.372 7.922 1.00 74.04 H new ATOM 0 HA ALA A 12 5.320 -0.359 8.310 1.00 64.11 H new ATOM 0 HB1 ALA A 12 7.542 -0.585 7.178 1.00 24.24 H new ATOM 0 HB2 ALA A 12 6.509 0.619 6.372 1.00 24.24 H new ATOM 0 HB3 ALA A 12 7.831 1.151 7.437 1.00 24.24 H new ATOM 193 N GLY A 13 7.591 0.897 10.352 1.00 64.13 N ATOM 194 CA GLY A 13 8.324 0.662 11.602 1.00 11.24 C ATOM 195 C GLY A 13 7.436 0.165 12.753 1.00 32.20 C ATOM 196 O GLY A 13 7.848 -0.698 13.530 1.00 41.33 O ATOM 0 H GLY A 13 7.676 1.848 9.994 1.00 64.13 H new ATOM 0 HA2 GLY A 13 9.111 -0.070 11.420 1.00 11.24 H new ATOM 0 HA3 GLY A 13 8.813 1.587 11.906 1.00 11.24 H new ATOM 200 N GLN A 14 6.202 0.704 12.835 1.00 40.53 N ATOM 201 CA GLN A 14 5.222 0.342 13.891 1.00 45.22 C ATOM 202 C GLN A 14 4.631 -1.071 13.657 1.00 3.40 C ATOM 203 O GLN A 14 4.545 -1.880 14.583 1.00 65.40 O ATOM 204 CB GLN A 14 4.070 1.379 13.948 1.00 63.45 C ATOM 205 CG GLN A 14 4.528 2.845 14.073 1.00 44.23 C ATOM 206 CD GLN A 14 3.373 3.806 14.356 1.00 45.34 C ATOM 207 OE1 GLN A 14 3.055 4.090 15.504 1.00 31.05 O ATOM 208 NE2 GLN A 14 2.714 4.279 13.321 1.00 41.43 N ATOM 0 H GLN A 14 5.854 1.400 12.176 1.00 40.53 H new ATOM 0 HA GLN A 14 5.757 0.342 14.841 1.00 45.22 H new ATOM 0 HB2 GLN A 14 3.464 1.278 13.048 1.00 63.45 H new ATOM 0 HB3 GLN A 14 3.426 1.140 14.795 1.00 63.45 H new ATOM 0 HG2 GLN A 14 5.264 2.924 14.873 1.00 44.23 H new ATOM 0 HG3 GLN A 14 5.026 3.145 13.151 1.00 44.23 H new ATOM 0 HE21 GLN A 14 3.000 4.026 12.375 1.00 41.43 H new ATOM 0 HE22 GLN A 14 1.917 4.899 13.464 1.00 41.43 H new ATOM 217 N ILE A 15 4.229 -1.343 12.399 1.00 22.24 N ATOM 218 CA ILE A 15 3.564 -2.612 12.002 1.00 11.31 C ATOM 219 C ILE A 15 4.519 -3.829 12.124 1.00 23.32 C ATOM 220 O ILE A 15 4.119 -4.894 12.612 1.00 54.52 O ATOM 221 CB ILE A 15 2.977 -2.491 10.541 1.00 42.11 C ATOM 222 CG1 ILE A 15 1.914 -1.340 10.497 1.00 44.32 C ATOM 223 CG2 ILE A 15 2.377 -3.832 10.027 1.00 62.51 C ATOM 224 CD1 ILE A 15 1.286 -1.095 9.139 1.00 72.02 C ATOM 0 H ILE A 15 4.354 -0.691 11.624 1.00 22.24 H new ATOM 0 HA ILE A 15 2.740 -2.786 12.693 1.00 11.31 H new ATOM 0 HB ILE A 15 3.799 -2.249 9.868 1.00 42.11 H new ATOM 0 HG12 ILE A 15 1.122 -1.571 11.210 1.00 44.32 H new ATOM 0 HG13 ILE A 15 2.387 -0.417 10.833 1.00 44.32 H new ATOM 0 HG21 ILE A 15 1.987 -3.693 9.018 1.00 62.51 H new ATOM 0 HG22 ILE A 15 3.154 -4.597 10.014 1.00 62.51 H new ATOM 0 HG23 ILE A 15 1.569 -4.146 10.688 1.00 62.51 H new ATOM 0 HD11 ILE A 15 0.565 -0.281 9.213 1.00 72.02 H new ATOM 0 HD12 ILE A 15 2.062 -0.828 8.422 1.00 72.02 H new ATOM 0 HD13 ILE A 15 0.778 -2.000 8.804 1.00 72.02 H new ATOM 236 N TRP A 16 5.787 -3.645 11.697 1.00 30.43 N ATOM 237 CA TRP A 16 6.852 -4.661 11.865 1.00 65.41 C ATOM 238 C TRP A 16 7.093 -4.961 13.364 1.00 54.00 C ATOM 239 O TRP A 16 7.244 -6.116 13.761 1.00 12.51 O ATOM 240 CB TRP A 16 8.183 -4.182 11.217 1.00 32.42 C ATOM 241 CG TRP A 16 9.277 -5.236 11.240 1.00 52.13 C ATOM 242 CD1 TRP A 16 9.464 -6.241 10.336 1.00 64.32 C ATOM 243 CD2 TRP A 16 10.306 -5.401 12.236 1.00 11.11 C ATOM 244 NE1 TRP A 16 10.544 -7.009 10.695 1.00 14.21 N ATOM 245 CE2 TRP A 16 11.074 -6.514 11.859 1.00 44.23 C ATOM 246 CE3 TRP A 16 10.649 -4.710 13.406 1.00 73.32 C ATOM 247 CZ2 TRP A 16 12.162 -6.959 12.609 1.00 31.31 C ATOM 248 CZ3 TRP A 16 11.728 -5.149 14.151 1.00 52.33 C ATOM 249 CH2 TRP A 16 12.474 -6.264 13.748 1.00 5.01 C ATOM 0 H TRP A 16 6.101 -2.795 11.229 1.00 30.43 H new ATOM 0 HA TRP A 16 6.519 -5.571 11.366 1.00 65.41 H new ATOM 0 HB2 TRP A 16 7.992 -3.890 10.185 1.00 32.42 H new ATOM 0 HB3 TRP A 16 8.534 -3.293 11.740 1.00 32.42 H new ATOM 0 HD1 TRP A 16 8.850 -6.408 9.463 1.00 64.32 H new ATOM 0 HE1 TRP A 16 10.895 -7.816 10.180 1.00 14.21 H new ATOM 0 HE3 TRP A 16 10.079 -3.848 13.721 1.00 73.32 H new ATOM 0 HZ2 TRP A 16 12.738 -7.820 12.303 1.00 31.31 H new ATOM 0 HZ3 TRP A 16 11.999 -4.625 15.056 1.00 52.33 H new ATOM 0 HH2 TRP A 16 13.313 -6.583 14.348 1.00 5.01 H new ATOM 260 N GLU A 17 7.130 -3.887 14.175 1.00 32.03 N ATOM 261 CA GLU A 17 7.406 -3.967 15.624 1.00 14.43 C ATOM 262 C GLU A 17 6.239 -4.649 16.388 1.00 22.51 C ATOM 263 O GLU A 17 6.457 -5.325 17.401 1.00 75.52 O ATOM 264 CB GLU A 17 7.672 -2.545 16.173 1.00 24.00 C ATOM 265 CG GLU A 17 8.226 -2.498 17.603 1.00 64.33 C ATOM 266 CD GLU A 17 8.519 -1.066 18.076 1.00 3.43 C ATOM 267 OE1 GLU A 17 7.585 -0.379 18.535 1.00 12.23 O ATOM 268 OE2 GLU A 17 9.681 -0.606 17.960 1.00 14.33 O ATOM 0 H GLU A 17 6.969 -2.936 13.844 1.00 32.03 H new ATOM 0 HA GLU A 17 8.291 -4.584 15.779 1.00 14.43 H new ATOM 0 HB2 GLU A 17 8.375 -2.041 15.510 1.00 24.00 H new ATOM 0 HB3 GLU A 17 6.741 -1.979 16.141 1.00 24.00 H new ATOM 0 HG2 GLU A 17 7.510 -2.961 18.282 1.00 64.33 H new ATOM 0 HG3 GLU A 17 9.141 -3.088 17.654 1.00 64.33 H new ATOM 275 N ALA A 18 5.008 -4.474 15.870 1.00 1.42 N ATOM 276 CA ALA A 18 3.799 -5.166 16.380 1.00 62.34 C ATOM 277 C ALA A 18 3.835 -6.681 16.047 1.00 45.22 C ATOM 278 O ALA A 18 3.287 -7.505 16.784 1.00 61.01 O ATOM 279 CB ALA A 18 2.534 -4.511 15.798 1.00 44.54 C ATOM 0 H ALA A 18 4.819 -3.850 15.086 1.00 1.42 H new ATOM 0 HA ALA A 18 3.780 -5.068 17.465 1.00 62.34 H new ATOM 0 HB1 ALA A 18 1.651 -5.025 16.177 1.00 44.54 H new ATOM 0 HB2 ALA A 18 2.498 -3.462 16.093 1.00 44.54 H new ATOM 0 HB3 ALA A 18 2.555 -4.581 14.710 1.00 44.54 H new ATOM 285 N LEU A 19 4.474 -7.029 14.911 1.00 50.32 N ATOM 286 CA LEU A 19 4.752 -8.433 14.518 1.00 3.31 C ATOM 287 C LEU A 19 6.013 -8.995 15.233 1.00 53.14 C ATOM 288 O LEU A 19 6.184 -10.214 15.332 1.00 5.43 O ATOM 289 CB LEU A 19 4.930 -8.517 12.977 1.00 35.14 C ATOM 290 CG LEU A 19 3.651 -8.254 12.122 1.00 52.10 C ATOM 291 CD1 LEU A 19 3.983 -8.179 10.612 1.00 24.43 C ATOM 292 CD2 LEU A 19 2.575 -9.326 12.412 1.00 45.14 C ATOM 0 H LEU A 19 4.814 -6.344 14.236 1.00 50.32 H new ATOM 0 HA LEU A 19 3.903 -9.043 14.825 1.00 3.31 H new ATOM 0 HB2 LEU A 19 5.694 -7.799 12.680 1.00 35.14 H new ATOM 0 HB3 LEU A 19 5.310 -9.508 12.729 1.00 35.14 H new ATOM 0 HG LEU A 19 3.247 -7.283 12.409 1.00 52.10 H new ATOM 0 HD11 LEU A 19 3.069 -7.995 10.047 1.00 24.43 H new ATOM 0 HD12 LEU A 19 4.689 -7.368 10.435 1.00 24.43 H new ATOM 0 HD13 LEU A 19 4.425 -9.122 10.289 1.00 24.43 H new ATOM 0 HD21 LEU A 19 1.690 -9.127 11.807 1.00 45.14 H new ATOM 0 HD22 LEU A 19 2.968 -10.312 12.166 1.00 45.14 H new ATOM 0 HD23 LEU A 19 2.307 -9.296 13.468 1.00 45.14 H new ATOM 304 N ASN A 20 6.883 -8.095 15.731 1.00 42.43 N ATOM 305 CA ASN A 20 8.140 -8.469 16.415 1.00 14.51 C ATOM 306 C ASN A 20 7.824 -8.881 17.874 1.00 4.13 C ATOM 307 O ASN A 20 7.287 -8.082 18.646 1.00 71.33 O ATOM 308 CB ASN A 20 9.146 -7.283 16.354 1.00 35.43 C ATOM 309 CG ASN A 20 10.508 -7.609 16.965 1.00 32.30 C ATOM 310 OD1 ASN A 20 10.761 -7.355 18.136 1.00 44.04 O ATOM 311 ND2 ASN A 20 11.388 -8.192 16.178 1.00 21.44 N ATOM 0 H ASN A 20 6.736 -7.087 15.671 1.00 42.43 H new ATOM 0 HA ASN A 20 8.603 -9.320 15.915 1.00 14.51 H new ATOM 0 HB2 ASN A 20 9.284 -6.987 15.314 1.00 35.43 H new ATOM 0 HB3 ASN A 20 8.718 -6.426 16.875 1.00 35.43 H new ATOM 0 HD21 ASN A 20 12.308 -8.444 16.540 1.00 21.44 H new ATOM 0 HD22 ASN A 20 11.150 -8.392 15.206 1.00 21.44 H new ATOM 318 N GLY A 21 8.161 -10.130 18.236 1.00 43.31 N ATOM 319 CA GLY A 21 7.726 -10.741 19.509 1.00 73.11 C ATOM 320 C GLY A 21 6.651 -11.825 19.313 1.00 74.42 C ATOM 321 O GLY A 21 6.300 -12.539 20.260 1.00 0.51 O ATOM 0 H GLY A 21 8.739 -10.743 17.661 1.00 43.31 H new ATOM 0 HA2 GLY A 21 8.589 -11.178 20.011 1.00 73.11 H new ATOM 0 HA3 GLY A 21 7.336 -9.963 20.166 1.00 73.11 H new ATOM 325 N THR A 22 6.129 -11.940 18.073 1.00 10.10 N ATOM 326 CA THR A 22 5.147 -12.984 17.664 1.00 62.23 C ATOM 327 C THR A 22 5.636 -13.687 16.374 1.00 75.34 C ATOM 328 O THR A 22 6.582 -13.218 15.723 1.00 12.15 O ATOM 329 CB THR A 22 3.714 -12.385 17.402 1.00 1.25 C ATOM 330 OG1 THR A 22 3.760 -11.406 16.349 1.00 61.34 O ATOM 331 CG2 THR A 22 3.102 -11.751 18.665 1.00 5.12 C ATOM 0 H THR A 22 6.377 -11.306 17.314 1.00 10.10 H new ATOM 0 HA THR A 22 5.073 -13.695 18.487 1.00 62.23 H new ATOM 0 HB THR A 22 3.077 -13.218 17.104 1.00 1.25 H new ATOM 0 HG1 THR A 22 4.692 -11.163 16.169 1.00 61.34 H new ATOM 0 HG21 THR A 22 2.115 -11.353 18.431 1.00 5.12 H new ATOM 0 HG22 THR A 22 3.013 -12.507 19.445 1.00 5.12 H new ATOM 0 HG23 THR A 22 3.745 -10.943 19.015 1.00 5.12 H new ATOM 339 N GLU A 23 4.990 -14.810 15.996 1.00 3.22 N ATOM 340 CA GLU A 23 5.345 -15.555 14.756 1.00 60.53 C ATOM 341 C GLU A 23 4.523 -15.070 13.536 1.00 12.42 C ATOM 342 O GLU A 23 4.758 -15.519 12.406 1.00 71.51 O ATOM 343 CB GLU A 23 5.166 -17.087 14.956 1.00 64.24 C ATOM 344 CG GLU A 23 3.709 -17.570 15.081 1.00 4.52 C ATOM 345 CD GLU A 23 3.582 -19.102 15.119 1.00 71.35 C ATOM 346 OE1 GLU A 23 3.854 -19.749 14.081 1.00 52.04 O ATOM 347 OE2 GLU A 23 3.237 -19.664 16.180 1.00 14.11 O ATOM 0 H GLU A 23 4.222 -15.224 16.525 1.00 3.22 H new ATOM 0 HA GLU A 23 6.396 -15.351 14.550 1.00 60.53 H new ATOM 0 HB2 GLU A 23 5.631 -17.603 14.116 1.00 64.24 H new ATOM 0 HB3 GLU A 23 5.708 -17.385 15.853 1.00 64.24 H new ATOM 0 HG2 GLU A 23 3.271 -17.153 15.988 1.00 4.52 H new ATOM 0 HG3 GLU A 23 3.131 -17.184 14.241 1.00 4.52 H new ATOM 354 N GLY A 24 3.576 -14.138 13.776 1.00 62.15 N ATOM 355 CA GLY A 24 2.661 -13.655 12.740 1.00 53.15 C ATOM 356 C GLY A 24 1.255 -13.377 13.266 1.00 41.24 C ATOM 357 O GLY A 24 0.667 -14.226 13.945 1.00 44.21 O ATOM 0 H GLY A 24 3.431 -13.707 14.689 1.00 62.15 H new ATOM 0 HA2 GLY A 24 3.066 -12.742 12.303 1.00 53.15 H new ATOM 0 HA3 GLY A 24 2.604 -14.394 11.941 1.00 53.15 H new ATOM 361 N LEU A 25 0.705 -12.196 12.929 1.00 24.10 N ATOM 362 CA LEU A 25 -0.636 -11.752 13.375 1.00 14.43 C ATOM 363 C LEU A 25 -1.519 -11.367 12.169 1.00 31.42 C ATOM 364 O LEU A 25 -1.014 -11.066 11.083 1.00 52.51 O ATOM 365 CB LEU A 25 -0.516 -10.538 14.347 1.00 72.14 C ATOM 366 CG LEU A 25 0.255 -10.787 15.689 1.00 42.12 C ATOM 367 CD1 LEU A 25 0.361 -9.487 16.524 1.00 43.34 C ATOM 368 CD2 LEU A 25 -0.393 -11.933 16.508 1.00 12.53 C ATOM 0 H LEU A 25 1.179 -11.515 12.335 1.00 24.10 H new ATOM 0 HA LEU A 25 -1.105 -12.584 13.900 1.00 14.43 H new ATOM 0 HB2 LEU A 25 -0.022 -9.724 13.816 1.00 72.14 H new ATOM 0 HB3 LEU A 25 -1.522 -10.196 14.590 1.00 72.14 H new ATOM 0 HG LEU A 25 1.268 -11.099 15.435 1.00 42.12 H new ATOM 0 HD11 LEU A 25 0.901 -9.691 17.449 1.00 43.34 H new ATOM 0 HD12 LEU A 25 0.896 -8.729 15.951 1.00 43.34 H new ATOM 0 HD13 LEU A 25 -0.639 -9.124 16.760 1.00 43.34 H new ATOM 0 HD21 LEU A 25 0.165 -12.080 17.432 1.00 12.53 H new ATOM 0 HD22 LEU A 25 -1.425 -11.673 16.745 1.00 12.53 H new ATOM 0 HD23 LEU A 25 -0.376 -12.853 15.923 1.00 12.53 H new ATOM 380 N THR A 26 -2.847 -11.366 12.383 1.00 50.40 N ATOM 381 CA THR A 26 -3.822 -10.883 11.376 1.00 42.21 C ATOM 382 C THR A 26 -3.934 -9.347 11.464 1.00 44.30 C ATOM 383 O THR A 26 -3.473 -8.747 12.449 1.00 41.32 O ATOM 384 CB THR A 26 -5.247 -11.517 11.574 1.00 33.52 C ATOM 385 OG1 THR A 26 -5.840 -11.060 12.805 1.00 1.23 O ATOM 386 CG2 THR A 26 -5.201 -13.057 11.579 1.00 33.44 C ATOM 0 H THR A 26 -3.276 -11.695 13.248 1.00 50.40 H new ATOM 0 HA THR A 26 -3.456 -11.186 10.395 1.00 42.21 H new ATOM 0 HB THR A 26 -5.854 -11.194 10.728 1.00 33.52 H new ATOM 0 HG1 THR A 26 -6.816 -11.070 12.721 1.00 1.23 H new ATOM 0 HG21 THR A 26 -6.208 -13.451 11.719 1.00 33.44 H new ATOM 0 HG22 THR A 26 -4.801 -13.412 10.629 1.00 33.44 H new ATOM 0 HG23 THR A 26 -4.562 -13.399 12.393 1.00 33.44 H new ATOM 394 N GLN A 27 -4.571 -8.727 10.446 1.00 23.12 N ATOM 395 CA GLN A 27 -4.709 -7.254 10.346 1.00 50.04 C ATOM 396 C GLN A 27 -5.278 -6.620 11.651 1.00 51.22 C ATOM 397 O GLN A 27 -4.758 -5.619 12.133 1.00 32.11 O ATOM 398 CB GLN A 27 -5.585 -6.876 9.111 1.00 33.15 C ATOM 399 CG GLN A 27 -7.056 -7.346 9.170 1.00 62.04 C ATOM 400 CD GLN A 27 -7.860 -7.013 7.912 1.00 50.43 C ATOM 401 OE1 GLN A 27 -7.987 -7.823 7.005 1.00 22.41 O ATOM 402 NE2 GLN A 27 -8.363 -5.801 7.824 1.00 0.52 N ATOM 0 H GLN A 27 -5.003 -9.231 9.672 1.00 23.12 H new ATOM 0 HA GLN A 27 -3.709 -6.841 10.210 1.00 50.04 H new ATOM 0 HB2 GLN A 27 -5.572 -5.792 8.997 1.00 33.15 H new ATOM 0 HB3 GLN A 27 -5.123 -7.296 8.218 1.00 33.15 H new ATOM 0 HG2 GLN A 27 -7.077 -8.424 9.329 1.00 62.04 H new ATOM 0 HG3 GLN A 27 -7.540 -6.887 10.032 1.00 62.04 H new ATOM 0 HE21 GLN A 27 -8.244 -5.142 8.594 1.00 0.52 H new ATOM 0 HE22 GLN A 27 -8.872 -5.520 6.986 1.00 0.52 H new ATOM 411 N LYS A 28 -6.305 -7.275 12.235 1.00 34.53 N ATOM 412 CA LYS A 28 -6.985 -6.833 13.481 1.00 71.25 C ATOM 413 C LYS A 28 -6.018 -6.691 14.682 1.00 55.22 C ATOM 414 O LYS A 28 -6.000 -5.660 15.363 1.00 4.52 O ATOM 415 CB LYS A 28 -8.108 -7.847 13.842 1.00 63.04 C ATOM 416 CG LYS A 28 -9.238 -7.958 12.793 1.00 31.42 C ATOM 417 CD LYS A 28 -10.022 -6.634 12.607 1.00 51.45 C ATOM 418 CE LYS A 28 -10.744 -6.170 13.889 1.00 61.42 C ATOM 419 NZ LYS A 28 -11.443 -4.878 13.696 1.00 42.43 N ATOM 0 H LYS A 28 -6.693 -8.137 11.852 1.00 34.53 H new ATOM 0 HA LYS A 28 -7.400 -5.844 13.285 1.00 71.25 H new ATOM 0 HB2 LYS A 28 -7.660 -8.831 13.979 1.00 63.04 H new ATOM 0 HB3 LYS A 28 -8.545 -7.559 14.798 1.00 63.04 H new ATOM 0 HG2 LYS A 28 -8.810 -8.258 11.836 1.00 31.42 H new ATOM 0 HG3 LYS A 28 -9.930 -8.745 13.094 1.00 31.42 H new ATOM 0 HD2 LYS A 28 -9.333 -5.854 12.283 1.00 51.45 H new ATOM 0 HD3 LYS A 28 -10.755 -6.762 11.811 1.00 51.45 H new ATOM 0 HE2 LYS A 28 -11.464 -6.929 14.195 1.00 61.42 H new ATOM 0 HE3 LYS A 28 -10.020 -6.073 14.698 1.00 61.42 H new ATOM 0 HZ1 LYS A 28 -11.915 -4.603 14.581 1.00 42.43 H new ATOM 0 HZ2 LYS A 28 -10.753 -4.147 13.429 1.00 42.43 H new ATOM 0 HZ3 LYS A 28 -12.152 -4.976 12.942 1.00 42.43 H new ATOM 433 N GLN A 29 -5.212 -7.742 14.903 1.00 51.51 N ATOM 434 CA GLN A 29 -4.303 -7.851 16.071 1.00 4.12 C ATOM 435 C GLN A 29 -3.164 -6.806 16.014 1.00 63.22 C ATOM 436 O GLN A 29 -2.714 -6.298 17.048 1.00 10.02 O ATOM 437 CB GLN A 29 -3.737 -9.292 16.142 1.00 4.14 C ATOM 438 CG GLN A 29 -4.822 -10.381 16.285 1.00 22.33 C ATOM 439 CD GLN A 29 -4.265 -11.805 16.260 1.00 12.34 C ATOM 440 OE1 GLN A 29 -3.902 -12.363 17.288 1.00 65.21 O ATOM 441 NE2 GLN A 29 -4.208 -12.407 15.090 1.00 74.44 N ATOM 0 H GLN A 29 -5.167 -8.547 14.278 1.00 51.51 H new ATOM 0 HA GLN A 29 -4.872 -7.641 16.976 1.00 4.12 H new ATOM 0 HB2 GLN A 29 -3.155 -9.488 15.242 1.00 4.14 H new ATOM 0 HB3 GLN A 29 -3.052 -9.362 16.987 1.00 4.14 H new ATOM 0 HG2 GLN A 29 -5.360 -10.226 17.220 1.00 22.33 H new ATOM 0 HG3 GLN A 29 -5.547 -10.269 15.479 1.00 22.33 H new ATOM 0 HE21 GLN A 29 -4.517 -11.919 14.250 1.00 74.44 H new ATOM 0 HE22 GLN A 29 -3.855 -13.362 15.024 1.00 74.44 H new ATOM 450 N ILE A 30 -2.728 -6.483 14.789 1.00 31.35 N ATOM 451 CA ILE A 30 -1.687 -5.464 14.538 1.00 54.13 C ATOM 452 C ILE A 30 -2.238 -4.039 14.760 1.00 14.32 C ATOM 453 O ILE A 30 -1.584 -3.213 15.396 1.00 25.11 O ATOM 454 CB ILE A 30 -1.140 -5.585 13.076 1.00 44.25 C ATOM 455 CG1 ILE A 30 -0.661 -7.044 12.801 1.00 60.11 C ATOM 456 CG2 ILE A 30 -0.007 -4.559 12.806 1.00 45.30 C ATOM 457 CD1 ILE A 30 -0.352 -7.335 11.352 1.00 3.13 C ATOM 0 H ILE A 30 -3.085 -6.919 13.939 1.00 31.35 H new ATOM 0 HA ILE A 30 -0.876 -5.642 15.244 1.00 54.13 H new ATOM 0 HB ILE A 30 -1.952 -5.352 12.387 1.00 44.25 H new ATOM 0 HG12 ILE A 30 0.231 -7.239 13.397 1.00 60.11 H new ATOM 0 HG13 ILE A 30 -1.430 -7.737 13.142 1.00 60.11 H new ATOM 0 HG21 ILE A 30 0.349 -4.671 11.782 1.00 45.30 H new ATOM 0 HG22 ILE A 30 -0.390 -3.548 12.948 1.00 45.30 H new ATOM 0 HG23 ILE A 30 0.816 -4.736 13.498 1.00 45.30 H new ATOM 0 HD11 ILE A 30 -0.026 -8.370 11.250 1.00 3.13 H new ATOM 0 HD12 ILE A 30 -1.246 -7.175 10.750 1.00 3.13 H new ATOM 0 HD13 ILE A 30 0.440 -6.670 11.008 1.00 3.13 H new ATOM 469 N LYS A 31 -3.447 -3.772 14.220 1.00 20.02 N ATOM 470 CA LYS A 31 -4.137 -2.463 14.364 1.00 0.23 C ATOM 471 C LYS A 31 -4.397 -2.110 15.852 1.00 15.21 C ATOM 472 O LYS A 31 -4.357 -0.941 16.234 1.00 41.33 O ATOM 473 CB LYS A 31 -5.474 -2.462 13.574 1.00 43.34 C ATOM 474 CG LYS A 31 -5.323 -2.575 12.035 1.00 0.53 C ATOM 475 CD LYS A 31 -6.684 -2.551 11.300 1.00 32.34 C ATOM 476 CE LYS A 31 -7.427 -1.207 11.463 1.00 34.45 C ATOM 477 NZ LYS A 31 -8.822 -1.265 10.966 1.00 23.12 N ATOM 0 H LYS A 31 -3.974 -4.453 13.673 1.00 20.02 H new ATOM 0 HA LYS A 31 -3.477 -1.700 13.950 1.00 0.23 H new ATOM 0 HB2 LYS A 31 -6.088 -3.291 13.926 1.00 43.34 H new ATOM 0 HB3 LYS A 31 -6.015 -1.544 13.805 1.00 43.34 H new ATOM 0 HG2 LYS A 31 -4.704 -1.754 11.673 1.00 0.53 H new ATOM 0 HG3 LYS A 31 -4.799 -3.500 11.792 1.00 0.53 H new ATOM 0 HD2 LYS A 31 -6.523 -2.746 10.240 1.00 32.34 H new ATOM 0 HD3 LYS A 31 -7.312 -3.357 11.680 1.00 32.34 H new ATOM 0 HE2 LYS A 31 -7.431 -0.923 12.515 1.00 34.45 H new ATOM 0 HE3 LYS A 31 -6.885 -0.429 10.925 1.00 34.45 H new ATOM 0 HZ1 LYS A 31 -8.922 -0.644 10.138 1.00 23.12 H new ATOM 0 HZ2 LYS A 31 -9.054 -2.242 10.696 1.00 23.12 H new ATOM 0 HZ3 LYS A 31 -9.471 -0.950 11.715 1.00 23.12 H new ATOM 491 N LYS A 32 -4.662 -3.146 16.670 1.00 31.34 N ATOM 492 CA LYS A 32 -4.833 -3.007 18.132 1.00 13.04 C ATOM 493 C LYS A 32 -3.472 -2.667 18.806 1.00 60.53 C ATOM 494 O LYS A 32 -3.386 -1.734 19.616 1.00 21.30 O ATOM 495 CB LYS A 32 -5.467 -4.320 18.716 1.00 4.24 C ATOM 496 CG LYS A 32 -6.104 -4.200 20.134 1.00 51.42 C ATOM 497 CD LYS A 32 -5.081 -4.166 21.303 1.00 34.21 C ATOM 498 CE LYS A 32 -5.741 -3.877 22.661 1.00 11.43 C ATOM 499 NZ LYS A 32 -4.742 -3.853 23.760 1.00 42.00 N ATOM 0 H LYS A 32 -4.764 -4.105 16.337 1.00 31.34 H new ATOM 0 HA LYS A 32 -5.513 -2.182 18.345 1.00 13.04 H new ATOM 0 HB2 LYS A 32 -6.233 -4.669 18.024 1.00 4.24 H new ATOM 0 HB3 LYS A 32 -4.695 -5.088 18.750 1.00 4.24 H new ATOM 0 HG2 LYS A 32 -6.708 -3.293 20.171 1.00 51.42 H new ATOM 0 HG3 LYS A 32 -6.781 -5.040 20.286 1.00 51.42 H new ATOM 0 HD2 LYS A 32 -4.561 -5.122 21.353 1.00 34.21 H new ATOM 0 HD3 LYS A 32 -4.329 -3.404 21.100 1.00 34.21 H new ATOM 0 HE2 LYS A 32 -6.259 -2.919 22.618 1.00 11.43 H new ATOM 0 HE3 LYS A 32 -6.494 -4.637 22.869 1.00 11.43 H new ATOM 0 HZ1 LYS A 32 -5.222 -3.655 24.661 1.00 42.00 H new ATOM 0 HZ2 LYS A 32 -4.266 -4.776 23.816 1.00 42.00 H new ATOM 0 HZ3 LYS A 32 -4.038 -3.111 23.573 1.00 42.00 H new ATOM 513 N ALA A 33 -2.418 -3.431 18.446 1.00 14.32 N ATOM 514 CA ALA A 33 -1.059 -3.287 19.035 1.00 3.12 C ATOM 515 C ALA A 33 -0.405 -1.918 18.701 1.00 0.33 C ATOM 516 O ALA A 33 0.332 -1.349 19.514 1.00 2.24 O ATOM 517 CB ALA A 33 -0.165 -4.444 18.559 1.00 70.23 C ATOM 0 H ALA A 33 -2.480 -4.165 17.741 1.00 14.32 H new ATOM 0 HA ALA A 33 -1.164 -3.325 20.119 1.00 3.12 H new ATOM 0 HB1 ALA A 33 0.830 -4.337 18.991 1.00 70.23 H new ATOM 0 HB2 ALA A 33 -0.598 -5.393 18.876 1.00 70.23 H new ATOM 0 HB3 ALA A 33 -0.092 -4.424 17.472 1.00 70.23 H new ATOM 523 N THR A 34 -0.696 -1.402 17.498 1.00 11.15 N ATOM 524 CA THR A 34 -0.225 -0.071 17.031 1.00 13.40 C ATOM 525 C THR A 34 -1.204 1.054 17.446 1.00 21.30 C ATOM 526 O THR A 34 -0.837 2.236 17.428 1.00 73.25 O ATOM 527 CB THR A 34 -0.063 -0.059 15.476 1.00 72.12 C ATOM 528 OG1 THR A 34 -1.318 -0.400 14.865 1.00 61.01 O ATOM 529 CG2 THR A 34 1.026 -1.042 14.997 1.00 54.33 C ATOM 0 H THR A 34 -1.268 -1.892 16.810 1.00 11.15 H new ATOM 0 HA THR A 34 0.741 0.112 17.502 1.00 13.40 H new ATOM 0 HB THR A 34 0.246 0.944 15.181 1.00 72.12 H new ATOM 0 HG1 THR A 34 -1.466 -1.366 14.939 1.00 61.01 H new ATOM 0 HG21 THR A 34 1.103 -0.999 13.911 1.00 54.33 H new ATOM 0 HG22 THR A 34 1.984 -0.768 15.439 1.00 54.33 H new ATOM 0 HG23 THR A 34 0.762 -2.055 15.302 1.00 54.33 H new ATOM 537 N LYS A 35 -2.448 0.655 17.813 1.00 62.20 N ATOM 538 CA LYS A 35 -3.559 1.561 18.224 1.00 3.03 C ATOM 539 C LYS A 35 -4.051 2.472 17.058 1.00 52.11 C ATOM 540 O LYS A 35 -4.537 3.589 17.287 1.00 65.41 O ATOM 541 CB LYS A 35 -3.185 2.387 19.493 1.00 45.11 C ATOM 542 CG LYS A 35 -2.874 1.529 20.743 1.00 63.31 C ATOM 543 CD LYS A 35 -2.614 2.376 22.014 1.00 0.33 C ATOM 544 CE LYS A 35 -1.396 3.313 21.881 1.00 64.24 C ATOM 545 NZ LYS A 35 -0.140 2.566 21.622 1.00 25.04 N ATOM 0 H LYS A 35 -2.716 -0.329 17.833 1.00 62.20 H new ATOM 0 HA LYS A 35 -4.402 0.923 18.488 1.00 3.03 H new ATOM 0 HB2 LYS A 35 -2.317 3.006 19.266 1.00 45.11 H new ATOM 0 HB3 LYS A 35 -4.007 3.064 19.727 1.00 45.11 H new ATOM 0 HG2 LYS A 35 -3.709 0.853 20.929 1.00 63.31 H new ATOM 0 HG3 LYS A 35 -2.000 0.909 20.542 1.00 63.31 H new ATOM 0 HD2 LYS A 35 -3.500 2.972 22.233 1.00 0.33 H new ATOM 0 HD3 LYS A 35 -2.460 1.709 22.862 1.00 0.33 H new ATOM 0 HE2 LYS A 35 -1.570 4.020 21.070 1.00 64.24 H new ATOM 0 HE3 LYS A 35 -1.288 3.897 22.795 1.00 64.24 H new ATOM 0 HZ1 LYS A 35 0.665 3.224 21.641 1.00 25.04 H new ATOM 0 HZ2 LYS A 35 -0.011 1.839 22.355 1.00 25.04 H new ATOM 0 HZ3 LYS A 35 -0.193 2.111 20.688 1.00 25.04 H new ATOM 559 N LEU A 36 -3.965 1.960 15.809 1.00 32.01 N ATOM 560 CA LEU A 36 -4.508 2.660 14.619 1.00 15.44 C ATOM 561 C LEU A 36 -5.860 2.033 14.194 1.00 21.15 C ATOM 562 O LEU A 36 -6.035 0.810 14.221 1.00 50.01 O ATOM 563 CB LEU A 36 -3.462 2.736 13.449 1.00 74.32 C ATOM 564 CG LEU A 36 -2.927 1.404 12.798 1.00 64.50 C ATOM 565 CD1 LEU A 36 -3.886 0.813 11.742 1.00 72.30 C ATOM 566 CD2 LEU A 36 -1.515 1.608 12.193 1.00 75.31 C ATOM 0 H LEU A 36 -3.525 1.064 15.598 1.00 32.01 H new ATOM 0 HA LEU A 36 -4.707 3.697 14.890 1.00 15.44 H new ATOM 0 HB2 LEU A 36 -3.906 3.333 12.653 1.00 74.32 H new ATOM 0 HB3 LEU A 36 -2.598 3.289 13.819 1.00 74.32 H new ATOM 0 HG LEU A 36 -2.867 0.677 13.608 1.00 64.50 H new ATOM 0 HD11 LEU A 36 -3.458 -0.102 11.333 1.00 72.30 H new ATOM 0 HD12 LEU A 36 -4.846 0.588 12.207 1.00 72.30 H new ATOM 0 HD13 LEU A 36 -4.032 1.535 10.939 1.00 72.30 H new ATOM 0 HD21 LEU A 36 -1.170 0.673 11.751 1.00 75.31 H new ATOM 0 HD22 LEU A 36 -1.557 2.380 11.424 1.00 75.31 H new ATOM 0 HD23 LEU A 36 -0.824 1.915 12.978 1.00 75.31 H new ATOM 578 N LYS A 37 -6.835 2.891 13.851 1.00 51.42 N ATOM 579 CA LYS A 37 -8.192 2.465 13.432 1.00 1.10 C ATOM 580 C LYS A 37 -8.312 2.310 11.891 1.00 51.41 C ATOM 581 O LYS A 37 -9.272 1.706 11.391 1.00 23.20 O ATOM 582 CB LYS A 37 -9.256 3.462 14.010 1.00 12.31 C ATOM 583 CG LYS A 37 -9.010 4.984 13.754 1.00 5.42 C ATOM 584 CD LYS A 37 -9.324 5.444 12.307 1.00 71.00 C ATOM 585 CE LYS A 37 -9.062 6.940 12.077 1.00 61.44 C ATOM 586 NZ LYS A 37 -9.419 7.353 10.695 1.00 33.24 N ATOM 0 H LYS A 37 -6.710 3.903 13.855 1.00 51.42 H new ATOM 0 HA LYS A 37 -8.384 1.474 13.843 1.00 1.10 H new ATOM 0 HB2 LYS A 37 -10.228 3.200 13.592 1.00 12.31 H new ATOM 0 HB3 LYS A 37 -9.319 3.305 15.087 1.00 12.31 H new ATOM 0 HG2 LYS A 37 -9.622 5.561 14.448 1.00 5.42 H new ATOM 0 HG3 LYS A 37 -7.969 5.215 13.979 1.00 5.42 H new ATOM 0 HD2 LYS A 37 -8.720 4.864 11.609 1.00 71.00 H new ATOM 0 HD3 LYS A 37 -10.368 5.226 12.082 1.00 71.00 H new ATOM 0 HE2 LYS A 37 -9.640 7.525 12.793 1.00 61.44 H new ATOM 0 HE3 LYS A 37 -8.010 7.158 12.262 1.00 61.44 H new ATOM 0 HZ1 LYS A 37 -9.229 8.369 10.576 1.00 33.24 H new ATOM 0 HZ2 LYS A 37 -8.850 6.812 10.013 1.00 33.24 H new ATOM 0 HZ3 LYS A 37 -10.429 7.168 10.527 1.00 33.24 H new ATOM 600 N ALA A 38 -7.310 2.821 11.152 1.00 62.23 N ATOM 601 CA ALA A 38 -7.360 2.934 9.680 1.00 75.34 C ATOM 602 C ALA A 38 -6.624 1.775 8.976 1.00 71.20 C ATOM 603 O ALA A 38 -5.397 1.654 9.077 1.00 5.04 O ATOM 604 CB ALA A 38 -6.772 4.288 9.234 1.00 70.32 C ATOM 0 H ALA A 38 -6.441 3.168 11.558 1.00 62.23 H new ATOM 0 HA ALA A 38 -8.408 2.875 9.385 1.00 75.34 H new ATOM 0 HB1 ALA A 38 -6.813 4.362 8.147 1.00 70.32 H new ATOM 0 HB2 ALA A 38 -7.351 5.099 9.675 1.00 70.32 H new ATOM 0 HB3 ALA A 38 -5.736 4.361 9.564 1.00 70.32 H new ATOM 610 N ASP A 39 -7.390 0.932 8.250 1.00 41.11 N ATOM 611 CA ASP A 39 -6.827 -0.071 7.312 1.00 22.30 C ATOM 612 C ASP A 39 -5.989 0.624 6.212 1.00 2.23 C ATOM 613 O ASP A 39 -5.051 0.041 5.679 1.00 51.44 O ATOM 614 CB ASP A 39 -7.960 -0.890 6.658 1.00 53.33 C ATOM 615 CG ASP A 39 -8.817 -1.626 7.695 1.00 23.40 C ATOM 616 OD1 ASP A 39 -9.775 -1.018 8.232 1.00 70.30 O ATOM 617 OD2 ASP A 39 -8.515 -2.795 8.018 1.00 62.32 O ATOM 0 H ASP A 39 -8.409 0.925 8.295 1.00 41.11 H new ATOM 0 HA ASP A 39 -6.181 -0.742 7.879 1.00 22.30 H new ATOM 0 HB2 ASP A 39 -8.594 -0.225 6.071 1.00 53.33 H new ATOM 0 HB3 ASP A 39 -7.530 -1.614 5.966 1.00 53.33 H new ATOM 622 N LYS A 40 -6.354 1.888 5.924 1.00 51.51 N ATOM 623 CA LYS A 40 -5.651 2.793 4.984 1.00 55.33 C ATOM 624 C LYS A 40 -4.130 2.875 5.260 1.00 41.24 C ATOM 625 O LYS A 40 -3.310 2.560 4.391 1.00 3.11 O ATOM 626 CB LYS A 40 -6.280 4.206 5.137 1.00 33.35 C ATOM 627 CG LYS A 40 -7.722 4.341 4.583 1.00 62.11 C ATOM 628 CD LYS A 40 -7.766 4.623 3.055 1.00 2.14 C ATOM 629 CE LYS A 40 -7.464 6.100 2.696 1.00 43.22 C ATOM 630 NZ LYS A 40 -6.100 6.561 3.080 1.00 31.13 N ATOM 0 H LYS A 40 -7.171 2.325 6.351 1.00 51.51 H new ATOM 0 HA LYS A 40 -5.766 2.403 3.973 1.00 55.33 H new ATOM 0 HB2 LYS A 40 -6.286 4.473 6.194 1.00 33.35 H new ATOM 0 HB3 LYS A 40 -5.642 4.929 4.629 1.00 33.35 H new ATOM 0 HG2 LYS A 40 -8.272 3.424 4.793 1.00 62.11 H new ATOM 0 HG3 LYS A 40 -8.233 5.147 5.110 1.00 62.11 H new ATOM 0 HD2 LYS A 40 -7.044 3.979 2.553 1.00 2.14 H new ATOM 0 HD3 LYS A 40 -8.751 4.357 2.672 1.00 2.14 H new ATOM 0 HE2 LYS A 40 -7.590 6.233 1.621 1.00 43.22 H new ATOM 0 HE3 LYS A 40 -8.201 6.738 3.185 1.00 43.22 H new ATOM 0 HZ1 LYS A 40 -5.885 7.453 2.591 1.00 31.13 H new ATOM 0 HZ2 LYS A 40 -6.061 6.711 4.108 1.00 31.13 H new ATOM 0 HZ3 LYS A 40 -5.401 5.841 2.809 1.00 31.13 H new ATOM 644 N ASP A 41 -3.773 3.280 6.490 1.00 24.41 N ATOM 645 CA ASP A 41 -2.365 3.474 6.896 1.00 50.40 C ATOM 646 C ASP A 41 -1.668 2.129 7.175 1.00 4.01 C ATOM 647 O ASP A 41 -0.432 2.034 7.121 1.00 62.34 O ATOM 648 CB ASP A 41 -2.305 4.421 8.112 1.00 44.12 C ATOM 649 CG ASP A 41 -2.888 5.799 7.765 1.00 41.11 C ATOM 650 OD1 ASP A 41 -2.292 6.502 6.917 1.00 11.50 O ATOM 651 OD2 ASP A 41 -3.963 6.162 8.281 1.00 63.01 O ATOM 0 H ASP A 41 -4.446 3.482 7.230 1.00 24.41 H new ATOM 0 HA ASP A 41 -1.819 3.936 6.074 1.00 50.40 H new ATOM 0 HB2 ASP A 41 -2.859 3.986 8.944 1.00 44.12 H new ATOM 0 HB3 ASP A 41 -1.272 4.532 8.441 1.00 44.12 H new ATOM 656 N PHE A 42 -2.484 1.093 7.455 1.00 13.44 N ATOM 657 CA PHE A 42 -2.012 -0.296 7.555 1.00 1.22 C ATOM 658 C PHE A 42 -1.444 -0.789 6.192 1.00 35.40 C ATOM 659 O PHE A 42 -0.427 -1.470 6.166 1.00 12.42 O ATOM 660 CB PHE A 42 -3.160 -1.222 8.048 1.00 51.04 C ATOM 661 CG PHE A 42 -2.783 -2.703 8.150 1.00 63.24 C ATOM 662 CD1 PHE A 42 -1.951 -3.157 9.175 1.00 73.03 C ATOM 663 CD2 PHE A 42 -3.246 -3.641 7.215 1.00 74.11 C ATOM 664 CE1 PHE A 42 -1.597 -4.489 9.264 1.00 1.25 C ATOM 665 CE2 PHE A 42 -2.890 -4.975 7.311 1.00 62.55 C ATOM 666 CZ PHE A 42 -2.064 -5.397 8.334 1.00 62.24 C ATOM 0 H PHE A 42 -3.485 1.199 7.617 1.00 13.44 H new ATOM 0 HA PHE A 42 -1.203 -0.334 8.285 1.00 1.22 H new ATOM 0 HB2 PHE A 42 -3.493 -0.877 9.027 1.00 51.04 H new ATOM 0 HB3 PHE A 42 -4.007 -1.122 7.369 1.00 51.04 H new ATOM 0 HD1 PHE A 42 -1.579 -2.457 9.908 1.00 73.03 H new ATOM 0 HD2 PHE A 42 -3.889 -3.318 6.410 1.00 74.11 H new ATOM 0 HE1 PHE A 42 -0.952 -4.822 10.064 1.00 1.25 H new ATOM 0 HE2 PHE A 42 -3.258 -5.686 6.586 1.00 62.55 H new ATOM 0 HZ PHE A 42 -1.783 -6.437 8.407 1.00 62.24 H new ATOM 676 N PHE A 43 -2.114 -0.426 5.071 1.00 4.51 N ATOM 677 CA PHE A 43 -1.674 -0.816 3.694 1.00 24.12 C ATOM 678 C PHE A 43 -0.316 -0.176 3.310 1.00 13.44 C ATOM 679 O PHE A 43 0.526 -0.827 2.681 1.00 41.41 O ATOM 680 CB PHE A 43 -2.743 -0.433 2.630 1.00 12.11 C ATOM 681 CG PHE A 43 -4.131 -1.036 2.862 1.00 14.31 C ATOM 682 CD1 PHE A 43 -4.284 -2.321 3.402 1.00 31.04 C ATOM 683 CD2 PHE A 43 -5.286 -0.315 2.545 1.00 74.10 C ATOM 684 CE1 PHE A 43 -5.539 -2.852 3.624 1.00 40.24 C ATOM 685 CE2 PHE A 43 -6.540 -0.849 2.771 1.00 63.10 C ATOM 686 CZ PHE A 43 -6.665 -2.120 3.305 1.00 3.34 C ATOM 0 H PHE A 43 -2.964 0.138 5.086 1.00 4.51 H new ATOM 0 HA PHE A 43 -1.551 -1.899 3.708 1.00 24.12 H new ATOM 0 HB2 PHE A 43 -2.835 0.653 2.603 1.00 12.11 H new ATOM 0 HB3 PHE A 43 -2.386 -0.747 1.649 1.00 12.11 H new ATOM 0 HD1 PHE A 43 -3.408 -2.903 3.648 1.00 31.04 H new ATOM 0 HD2 PHE A 43 -5.197 0.673 2.118 1.00 74.10 H new ATOM 0 HE1 PHE A 43 -5.640 -3.840 4.047 1.00 40.24 H new ATOM 0 HE2 PHE A 43 -7.423 -0.275 2.531 1.00 63.10 H new ATOM 0 HZ PHE A 43 -7.646 -2.540 3.472 1.00 3.34 H new ATOM 696 N LEU A 44 -0.123 1.103 3.698 1.00 3.12 N ATOM 697 CA LEU A 44 1.135 1.858 3.439 1.00 1.14 C ATOM 698 C LEU A 44 2.343 1.203 4.157 1.00 33.41 C ATOM 699 O LEU A 44 3.408 1.015 3.552 1.00 24.13 O ATOM 700 CB LEU A 44 0.982 3.354 3.874 1.00 21.23 C ATOM 701 CG LEU A 44 0.295 4.325 2.847 1.00 34.10 C ATOM 702 CD1 LEU A 44 -1.116 3.852 2.429 1.00 0.41 C ATOM 703 CD2 LEU A 44 0.265 5.776 3.397 1.00 0.53 C ATOM 0 H LEU A 44 -0.828 1.645 4.198 1.00 3.12 H new ATOM 0 HA LEU A 44 1.326 1.827 2.366 1.00 1.14 H new ATOM 0 HB2 LEU A 44 0.410 3.381 4.802 1.00 21.23 H new ATOM 0 HB3 LEU A 44 1.974 3.745 4.100 1.00 21.23 H new ATOM 0 HG LEU A 44 0.902 4.311 1.942 1.00 34.10 H new ATOM 0 HD11 LEU A 44 -1.542 4.561 1.719 1.00 0.41 H new ATOM 0 HD12 LEU A 44 -1.047 2.869 1.963 1.00 0.41 H new ATOM 0 HD13 LEU A 44 -1.755 3.792 3.310 1.00 0.41 H new ATOM 0 HD21 LEU A 44 -0.215 6.431 2.670 1.00 0.53 H new ATOM 0 HD22 LEU A 44 -0.295 5.799 4.332 1.00 0.53 H new ATOM 0 HD23 LEU A 44 1.284 6.118 3.576 1.00 0.53 H new ATOM 715 N GLY A 45 2.148 0.852 5.443 1.00 44.21 N ATOM 716 CA GLY A 45 3.183 0.175 6.233 1.00 13.42 C ATOM 717 C GLY A 45 3.456 -1.265 5.771 1.00 62.13 C ATOM 718 O GLY A 45 4.599 -1.625 5.508 1.00 3.23 O ATOM 0 H GLY A 45 1.282 1.028 5.952 1.00 44.21 H new ATOM 0 HA2 GLY A 45 4.108 0.749 6.175 1.00 13.42 H new ATOM 0 HA3 GLY A 45 2.881 0.162 7.280 1.00 13.42 H new ATOM 722 N LEU A 46 2.378 -2.061 5.634 1.00 1.04 N ATOM 723 CA LEU A 46 2.435 -3.487 5.192 1.00 74.01 C ATOM 724 C LEU A 46 3.131 -3.645 3.810 1.00 13.15 C ATOM 725 O LEU A 46 3.905 -4.581 3.588 1.00 45.02 O ATOM 726 CB LEU A 46 0.992 -4.060 5.118 1.00 21.24 C ATOM 727 CG LEU A 46 0.847 -5.540 4.637 1.00 34.34 C ATOM 728 CD1 LEU A 46 1.597 -6.506 5.575 1.00 74.33 C ATOM 729 CD2 LEU A 46 -0.640 -5.935 4.474 1.00 31.22 C ATOM 0 H LEU A 46 1.430 -1.739 5.826 1.00 1.04 H new ATOM 0 HA LEU A 46 3.027 -4.039 5.922 1.00 74.01 H new ATOM 0 HB2 LEU A 46 0.543 -3.979 6.108 1.00 21.24 H new ATOM 0 HB3 LEU A 46 0.408 -3.427 4.450 1.00 21.24 H new ATOM 0 HG LEU A 46 1.310 -5.619 3.653 1.00 34.34 H new ATOM 0 HD11 LEU A 46 1.478 -7.528 5.215 1.00 74.33 H new ATOM 0 HD12 LEU A 46 2.656 -6.248 5.592 1.00 74.33 H new ATOM 0 HD13 LEU A 46 1.188 -6.426 6.582 1.00 74.33 H new ATOM 0 HD21 LEU A 46 -0.707 -6.970 4.138 1.00 31.22 H new ATOM 0 HD22 LEU A 46 -1.151 -5.830 5.431 1.00 31.22 H new ATOM 0 HD23 LEU A 46 -1.111 -5.284 3.738 1.00 31.22 H new ATOM 741 N GLY A 47 2.859 -2.680 2.920 1.00 22.13 N ATOM 742 CA GLY A 47 3.424 -2.658 1.557 1.00 63.42 C ATOM 743 C GLY A 47 4.930 -2.386 1.556 1.00 63.41 C ATOM 744 O GLY A 47 5.674 -2.877 0.697 1.00 72.34 O ATOM 0 H GLY A 47 2.243 -1.893 3.121 1.00 22.13 H new ATOM 0 HA2 GLY A 47 3.229 -3.614 1.070 1.00 63.42 H new ATOM 0 HA3 GLY A 47 2.918 -1.892 0.969 1.00 63.42 H new ATOM 748 N TRP A 48 5.366 -1.599 2.554 1.00 33.12 N ATOM 749 CA TRP A 48 6.787 -1.292 2.799 1.00 12.13 C ATOM 750 C TRP A 48 7.520 -2.526 3.421 1.00 4.41 C ATOM 751 O TRP A 48 8.715 -2.738 3.207 1.00 22.34 O ATOM 752 CB TRP A 48 6.874 -0.053 3.729 1.00 41.22 C ATOM 753 CG TRP A 48 8.241 0.582 3.797 1.00 22.43 C ATOM 754 CD1 TRP A 48 9.359 0.083 4.404 1.00 60.21 C ATOM 755 CD2 TRP A 48 8.620 1.848 3.251 1.00 10.40 C ATOM 756 NE1 TRP A 48 10.407 0.927 4.220 1.00 12.12 N ATOM 757 CE2 TRP A 48 9.980 2.019 3.525 1.00 53.21 C ATOM 758 CE3 TRP A 48 7.942 2.838 2.535 1.00 14.44 C ATOM 759 CZ2 TRP A 48 10.680 3.135 3.124 1.00 13.30 C ATOM 760 CZ3 TRP A 48 8.641 3.962 2.140 1.00 14.41 C ATOM 761 CH2 TRP A 48 10.006 4.098 2.426 1.00 21.42 C ATOM 0 H TRP A 48 4.736 -1.153 3.221 1.00 33.12 H new ATOM 0 HA TRP A 48 7.285 -1.067 1.856 1.00 12.13 H new ATOM 0 HB2 TRP A 48 6.157 0.693 3.387 1.00 41.22 H new ATOM 0 HB3 TRP A 48 6.573 -0.347 4.735 1.00 41.22 H new ATOM 0 HD1 TRP A 48 9.403 -0.847 4.951 1.00 60.21 H new ATOM 0 HE1 TRP A 48 11.360 0.769 4.549 1.00 12.12 H new ATOM 0 HE3 TRP A 48 6.895 2.727 2.296 1.00 14.44 H new ATOM 0 HZ2 TRP A 48 11.729 3.246 3.354 1.00 13.30 H new ATOM 0 HZ3 TRP A 48 8.128 4.747 1.603 1.00 14.41 H new ATOM 0 HH2 TRP A 48 10.534 4.978 2.090 1.00 21.42 H new ATOM 772 N LEU A 49 6.796 -3.328 4.211 1.00 3.31 N ATOM 773 CA LEU A 49 7.315 -4.617 4.737 1.00 25.20 C ATOM 774 C LEU A 49 7.537 -5.634 3.580 1.00 41.33 C ATOM 775 O LEU A 49 8.491 -6.428 3.597 1.00 21.02 O ATOM 776 CB LEU A 49 6.340 -5.186 5.813 1.00 21.40 C ATOM 777 CG LEU A 49 6.495 -4.658 7.281 1.00 45.54 C ATOM 778 CD1 LEU A 49 6.622 -3.141 7.341 1.00 23.32 C ATOM 779 CD2 LEU A 49 5.319 -5.148 8.161 1.00 24.10 C ATOM 0 H LEU A 49 5.844 -3.114 4.507 1.00 3.31 H new ATOM 0 HA LEU A 49 8.281 -4.442 5.210 1.00 25.20 H new ATOM 0 HB2 LEU A 49 5.321 -4.979 5.487 1.00 21.40 H new ATOM 0 HB3 LEU A 49 6.455 -6.270 5.831 1.00 21.40 H new ATOM 0 HG LEU A 49 7.425 -5.069 7.675 1.00 45.54 H new ATOM 0 HD11 LEU A 49 6.727 -2.825 8.379 1.00 23.32 H new ATOM 0 HD12 LEU A 49 7.499 -2.827 6.776 1.00 23.32 H new ATOM 0 HD13 LEU A 49 5.731 -2.684 6.911 1.00 23.32 H new ATOM 0 HD21 LEU A 49 5.443 -4.772 9.177 1.00 24.10 H new ATOM 0 HD22 LEU A 49 4.379 -4.780 7.750 1.00 24.10 H new ATOM 0 HD23 LEU A 49 5.306 -6.238 8.177 1.00 24.10 H new ATOM 791 N LEU A 50 6.632 -5.585 2.585 1.00 60.15 N ATOM 792 CA LEU A 50 6.713 -6.401 1.354 1.00 51.23 C ATOM 793 C LEU A 50 7.847 -5.933 0.400 1.00 55.43 C ATOM 794 O LEU A 50 8.438 -6.773 -0.293 1.00 21.14 O ATOM 795 CB LEU A 50 5.345 -6.393 0.613 1.00 50.00 C ATOM 796 CG LEU A 50 4.157 -7.077 1.372 1.00 32.52 C ATOM 797 CD1 LEU A 50 2.816 -6.892 0.620 1.00 51.41 C ATOM 798 CD2 LEU A 50 4.456 -8.573 1.642 1.00 70.25 C ATOM 0 H LEU A 50 5.816 -4.973 2.611 1.00 60.15 H new ATOM 0 HA LEU A 50 6.955 -7.419 1.660 1.00 51.23 H new ATOM 0 HB2 LEU A 50 5.071 -5.359 0.405 1.00 50.00 H new ATOM 0 HB3 LEU A 50 5.471 -6.889 -0.349 1.00 50.00 H new ATOM 0 HG LEU A 50 4.054 -6.580 2.337 1.00 32.52 H new ATOM 0 HD11 LEU A 50 2.016 -7.380 1.177 1.00 51.41 H new ATOM 0 HD12 LEU A 50 2.596 -5.829 0.525 1.00 51.41 H new ATOM 0 HD13 LEU A 50 2.891 -7.337 -0.372 1.00 51.41 H new ATOM 0 HD21 LEU A 50 3.615 -9.023 2.170 1.00 70.25 H new ATOM 0 HD22 LEU A 50 4.608 -9.090 0.695 1.00 70.25 H new ATOM 0 HD23 LEU A 50 5.355 -8.660 2.252 1.00 70.25 H new ATOM 810 N ARG A 51 8.128 -4.598 0.343 1.00 55.40 N ATOM 811 CA ARG A 51 9.176 -4.037 -0.564 1.00 21.43 C ATOM 812 C ARG A 51 10.589 -4.605 -0.247 1.00 42.25 C ATOM 813 O ARG A 51 11.389 -4.852 -1.158 1.00 62.41 O ATOM 814 CB ARG A 51 9.217 -2.464 -0.556 1.00 62.11 C ATOM 815 CG ARG A 51 9.980 -1.788 0.619 1.00 4.41 C ATOM 816 CD ARG A 51 10.409 -0.341 0.359 1.00 52.12 C ATOM 817 NE ARG A 51 11.376 0.085 1.387 1.00 62.35 N ATOM 818 CZ ARG A 51 12.477 0.766 1.183 1.00 1.24 C ATOM 819 NH1 ARG A 51 12.790 1.208 0.008 1.00 30.44 N ATOM 820 NH2 ARG A 51 13.258 1.002 2.176 1.00 72.43 N ATOM 0 H ARG A 51 7.649 -3.897 0.908 1.00 55.40 H new ATOM 0 HA ARG A 51 8.889 -4.356 -1.566 1.00 21.43 H new ATOM 0 HB2 ARG A 51 9.669 -2.131 -1.490 1.00 62.11 H new ATOM 0 HB3 ARG A 51 8.190 -2.097 -0.550 1.00 62.11 H new ATOM 0 HG2 ARG A 51 9.346 -1.810 1.506 1.00 4.41 H new ATOM 0 HG3 ARG A 51 10.867 -2.380 0.846 1.00 4.41 H new ATOM 0 HD2 ARG A 51 10.856 -0.257 -0.631 1.00 52.12 H new ATOM 0 HD3 ARG A 51 9.538 0.314 0.372 1.00 52.12 H new ATOM 0 HE ARG A 51 11.168 -0.176 2.351 1.00 62.35 H new ATOM 0 HH11 ARG A 51 12.174 1.029 -0.785 1.00 30.44 H new ATOM 0 HH12 ARG A 51 13.653 1.736 -0.125 1.00 30.44 H new ATOM 0 HH21 ARG A 51 13.017 0.661 3.107 1.00 72.43 H new ATOM 0 HH22 ARG A 51 14.119 1.531 2.034 1.00 72.43 H new ATOM 834 N GLU A 52 10.873 -4.805 1.054 1.00 64.51 N ATOM 835 CA GLU A 52 12.174 -5.318 1.545 1.00 3.20 C ATOM 836 C GLU A 52 12.113 -6.824 1.882 1.00 21.11 C ATOM 837 O GLU A 52 13.148 -7.421 2.209 1.00 32.31 O ATOM 838 CB GLU A 52 12.617 -4.500 2.785 1.00 65.22 C ATOM 839 CG GLU A 52 12.956 -3.021 2.489 1.00 32.55 C ATOM 840 CD GLU A 52 13.188 -2.186 3.759 1.00 31.23 C ATOM 841 OE1 GLU A 52 14.170 -2.448 4.477 1.00 24.02 O ATOM 842 OE2 GLU A 52 12.373 -1.288 4.064 1.00 44.24 O ATOM 0 H GLU A 52 10.205 -4.615 1.801 1.00 64.51 H new ATOM 0 HA GLU A 52 12.907 -5.200 0.747 1.00 3.20 H new ATOM 0 HB2 GLU A 52 11.823 -4.535 3.531 1.00 65.22 H new ATOM 0 HB3 GLU A 52 13.491 -4.979 3.227 1.00 65.22 H new ATOM 0 HG2 GLU A 52 13.849 -2.978 1.865 1.00 32.55 H new ATOM 0 HG3 GLU A 52 12.144 -2.577 1.914 1.00 32.55 H new ATOM 849 N ASP A 53 10.894 -7.413 1.822 1.00 23.11 N ATOM 850 CA ASP A 53 10.658 -8.870 2.007 1.00 52.22 C ATOM 851 C ASP A 53 11.041 -9.354 3.431 1.00 44.33 C ATOM 852 O ASP A 53 11.527 -10.477 3.619 1.00 14.04 O ATOM 853 CB ASP A 53 11.395 -9.685 0.906 1.00 41.31 C ATOM 854 CG ASP A 53 10.871 -9.381 -0.505 1.00 24.31 C ATOM 855 OD1 ASP A 53 11.233 -8.326 -1.084 1.00 33.13 O ATOM 856 OD2 ASP A 53 10.089 -10.183 -1.039 1.00 0.34 O ATOM 0 H ASP A 53 10.038 -6.888 1.642 1.00 23.11 H new ATOM 0 HA ASP A 53 9.587 -9.045 1.903 1.00 52.22 H new ATOM 0 HB2 ASP A 53 12.462 -9.464 0.949 1.00 41.31 H new ATOM 0 HB3 ASP A 53 11.281 -10.750 1.110 1.00 41.31 H new ATOM 861 N LYS A 54 10.789 -8.493 4.438 1.00 12.33 N ATOM 862 CA LYS A 54 10.997 -8.831 5.868 1.00 13.51 C ATOM 863 C LYS A 54 9.764 -9.556 6.451 1.00 53.52 C ATOM 864 O LYS A 54 9.784 -10.029 7.594 1.00 31.41 O ATOM 865 CB LYS A 54 11.336 -7.543 6.668 1.00 43.12 C ATOM 866 CG LYS A 54 10.279 -6.408 6.575 1.00 63.11 C ATOM 867 CD LYS A 54 10.797 -5.056 7.136 1.00 74.51 C ATOM 868 CE LYS A 54 12.050 -4.555 6.391 1.00 24.14 C ATOM 869 NZ LYS A 54 12.539 -3.254 6.892 1.00 4.54 N ATOM 0 H LYS A 54 10.437 -7.547 4.288 1.00 12.33 H new ATOM 0 HA LYS A 54 11.839 -9.518 5.951 1.00 13.51 H new ATOM 0 HB2 LYS A 54 11.467 -7.810 7.717 1.00 43.12 H new ATOM 0 HB3 LYS A 54 12.292 -7.157 6.315 1.00 43.12 H new ATOM 0 HG2 LYS A 54 9.986 -6.275 5.534 1.00 63.11 H new ATOM 0 HG3 LYS A 54 9.385 -6.705 7.123 1.00 63.11 H new ATOM 0 HD2 LYS A 54 10.008 -4.308 7.060 1.00 74.51 H new ATOM 0 HD3 LYS A 54 11.028 -5.169 8.195 1.00 74.51 H new ATOM 0 HE2 LYS A 54 12.843 -5.296 6.487 1.00 24.14 H new ATOM 0 HE3 LYS A 54 11.823 -4.467 5.329 1.00 24.14 H new ATOM 0 HZ1 LYS A 54 13.307 -2.912 6.279 1.00 4.54 H new ATOM 0 HZ2 LYS A 54 11.760 -2.565 6.887 1.00 4.54 H new ATOM 0 HZ3 LYS A 54 12.895 -3.367 7.863 1.00 4.54 H new ATOM 883 N VAL A 55 8.691 -9.647 5.634 1.00 34.42 N ATOM 884 CA VAL A 55 7.463 -10.403 5.949 1.00 23.34 C ATOM 885 C VAL A 55 6.988 -11.206 4.712 1.00 74.22 C ATOM 886 O VAL A 55 7.468 -10.997 3.588 1.00 41.51 O ATOM 887 CB VAL A 55 6.271 -9.476 6.418 1.00 30.42 C ATOM 888 CG1 VAL A 55 6.639 -8.640 7.666 1.00 35.43 C ATOM 889 CG2 VAL A 55 5.758 -8.584 5.253 1.00 51.41 C ATOM 0 H VAL A 55 8.656 -9.189 4.723 1.00 34.42 H new ATOM 0 HA VAL A 55 7.725 -11.069 6.771 1.00 23.34 H new ATOM 0 HB VAL A 55 5.451 -10.130 6.714 1.00 30.42 H new ATOM 0 HG11 VAL A 55 5.790 -8.019 7.951 1.00 35.43 H new ATOM 0 HG12 VAL A 55 6.893 -9.308 8.489 1.00 35.43 H new ATOM 0 HG13 VAL A 55 7.494 -8.003 7.438 1.00 35.43 H new ATOM 0 HG21 VAL A 55 4.939 -7.958 5.607 1.00 51.41 H new ATOM 0 HG22 VAL A 55 6.570 -7.951 4.895 1.00 51.41 H new ATOM 0 HG23 VAL A 55 5.405 -9.217 4.438 1.00 51.41 H new ATOM 899 N VAL A 56 6.026 -12.109 4.951 1.00 73.51 N ATOM 900 CA VAL A 56 5.254 -12.811 3.909 1.00 11.35 C ATOM 901 C VAL A 56 3.753 -12.817 4.290 1.00 14.04 C ATOM 902 O VAL A 56 3.394 -12.993 5.463 1.00 21.42 O ATOM 903 CB VAL A 56 5.780 -14.285 3.631 1.00 64.13 C ATOM 904 CG1 VAL A 56 7.147 -14.272 2.891 1.00 50.33 C ATOM 905 CG2 VAL A 56 5.871 -15.112 4.942 1.00 4.22 C ATOM 0 H VAL A 56 5.755 -12.380 5.896 1.00 73.51 H new ATOM 0 HA VAL A 56 5.392 -12.265 2.976 1.00 11.35 H new ATOM 0 HB VAL A 56 5.052 -14.768 2.980 1.00 64.13 H new ATOM 0 HG11 VAL A 56 7.476 -15.296 2.717 1.00 50.33 H new ATOM 0 HG12 VAL A 56 7.039 -13.759 1.936 1.00 50.33 H new ATOM 0 HG13 VAL A 56 7.886 -13.752 3.501 1.00 50.33 H new ATOM 0 HG21 VAL A 56 6.234 -16.114 4.715 1.00 4.22 H new ATOM 0 HG22 VAL A 56 6.559 -14.625 5.633 1.00 4.22 H new ATOM 0 HG23 VAL A 56 4.884 -15.178 5.400 1.00 4.22 H new ATOM 915 N THR A 57 2.880 -12.606 3.287 1.00 44.13 N ATOM 916 CA THR A 57 1.419 -12.442 3.490 1.00 1.11 C ATOM 917 C THR A 57 0.639 -13.690 3.022 1.00 61.00 C ATOM 918 O THR A 57 1.041 -14.389 2.081 1.00 41.20 O ATOM 919 CB THR A 57 0.867 -11.174 2.739 1.00 54.35 C ATOM 920 OG1 THR A 57 1.241 -11.217 1.347 1.00 73.34 O ATOM 921 CG2 THR A 57 1.368 -9.859 3.374 1.00 42.45 C ATOM 0 H THR A 57 3.164 -12.544 2.309 1.00 44.13 H new ATOM 0 HA THR A 57 1.269 -12.310 4.562 1.00 1.11 H new ATOM 0 HB THR A 57 -0.219 -11.193 2.828 1.00 54.35 H new ATOM 0 HG1 THR A 57 0.891 -10.424 0.890 1.00 73.34 H new ATOM 0 HG21 THR A 57 0.962 -9.011 2.823 1.00 42.45 H new ATOM 0 HG22 THR A 57 1.040 -9.808 4.412 1.00 42.45 H new ATOM 0 HG23 THR A 57 2.457 -9.828 3.336 1.00 42.45 H new ATOM 929 N SER A 58 -0.482 -13.955 3.710 1.00 44.32 N ATOM 930 CA SER A 58 -1.429 -15.043 3.393 1.00 40.51 C ATOM 931 C SER A 58 -2.878 -14.532 3.533 1.00 33.50 C ATOM 932 O SER A 58 -3.147 -13.590 4.281 1.00 44.51 O ATOM 933 CB SER A 58 -1.194 -16.261 4.327 1.00 22.41 C ATOM 934 OG SER A 58 0.124 -16.783 4.182 1.00 44.32 O ATOM 0 H SER A 58 -0.765 -13.407 4.523 1.00 44.32 H new ATOM 0 HA SER A 58 -1.263 -15.364 2.365 1.00 40.51 H new ATOM 0 HB2 SER A 58 -1.357 -15.963 5.363 1.00 22.41 H new ATOM 0 HB3 SER A 58 -1.922 -17.040 4.101 1.00 22.41 H new ATOM 0 HG SER A 58 0.241 -17.547 4.784 1.00 44.32 H new ATOM 940 N GLU A 59 -3.804 -15.165 2.807 1.00 71.40 N ATOM 941 CA GLU A 59 -5.239 -14.810 2.829 1.00 63.25 C ATOM 942 C GLU A 59 -6.033 -15.932 3.530 1.00 11.53 C ATOM 943 O GLU A 59 -6.200 -17.024 2.977 1.00 5.13 O ATOM 944 CB GLU A 59 -5.751 -14.580 1.384 1.00 61.22 C ATOM 945 CG GLU A 59 -7.212 -14.097 1.295 1.00 34.13 C ATOM 946 CD GLU A 59 -7.676 -13.877 -0.153 1.00 41.12 C ATOM 947 OE1 GLU A 59 -7.460 -12.770 -0.695 1.00 31.50 O ATOM 948 OE2 GLU A 59 -8.234 -14.818 -0.767 1.00 15.41 O ATOM 0 H GLU A 59 -3.586 -15.942 2.183 1.00 71.40 H new ATOM 0 HA GLU A 59 -5.381 -13.884 3.386 1.00 63.25 H new ATOM 0 HB2 GLU A 59 -5.109 -13.847 0.896 1.00 61.22 H new ATOM 0 HB3 GLU A 59 -5.654 -15.511 0.825 1.00 61.22 H new ATOM 0 HG2 GLU A 59 -7.862 -14.829 1.773 1.00 34.13 H new ATOM 0 HG3 GLU A 59 -7.317 -13.166 1.851 1.00 34.13 H new ATOM 955 N VAL A 60 -6.518 -15.652 4.754 1.00 74.45 N ATOM 956 CA VAL A 60 -7.187 -16.656 5.619 1.00 12.42 C ATOM 957 C VAL A 60 -8.619 -16.198 5.964 1.00 43.10 C ATOM 958 O VAL A 60 -8.810 -15.252 6.738 1.00 61.43 O ATOM 959 CB VAL A 60 -6.369 -16.930 6.945 1.00 1.12 C ATOM 960 CG1 VAL A 60 -7.146 -17.847 7.936 1.00 25.05 C ATOM 961 CG2 VAL A 60 -4.985 -17.538 6.617 1.00 0.31 C ATOM 0 H VAL A 60 -6.460 -14.725 5.176 1.00 74.45 H new ATOM 0 HA VAL A 60 -7.233 -17.590 5.059 1.00 12.42 H new ATOM 0 HB VAL A 60 -6.225 -15.968 7.438 1.00 1.12 H new ATOM 0 HG11 VAL A 60 -6.545 -18.007 8.831 1.00 25.05 H new ATOM 0 HG12 VAL A 60 -8.087 -17.371 8.211 1.00 25.05 H new ATOM 0 HG13 VAL A 60 -7.350 -18.806 7.460 1.00 25.05 H new ATOM 0 HG21 VAL A 60 -4.438 -17.719 7.543 1.00 0.31 H new ATOM 0 HG22 VAL A 60 -5.118 -18.480 6.084 1.00 0.31 H new ATOM 0 HG23 VAL A 60 -4.422 -16.845 5.993 1.00 0.31 H new ATOM 971 N GLU A 61 -9.604 -16.906 5.373 1.00 74.35 N ATOM 972 CA GLU A 61 -11.056 -16.750 5.648 1.00 64.31 C ATOM 973 C GLU A 61 -11.565 -15.279 5.550 1.00 3.44 C ATOM 974 O GLU A 61 -12.525 -14.898 6.226 1.00 74.34 O ATOM 975 CB GLU A 61 -11.364 -17.392 7.037 1.00 2.04 C ATOM 976 CG GLU A 61 -10.859 -18.851 7.172 1.00 32.20 C ATOM 977 CD GLU A 61 -11.555 -19.832 6.205 1.00 32.34 C ATOM 978 OE1 GLU A 61 -12.692 -20.262 6.485 1.00 5.43 O ATOM 979 OE2 GLU A 61 -10.974 -20.162 5.141 1.00 13.21 O ATOM 0 H GLU A 61 -9.411 -17.622 4.672 1.00 74.35 H new ATOM 0 HA GLU A 61 -11.609 -17.270 4.866 1.00 64.31 H new ATOM 0 HB2 GLU A 61 -10.907 -16.784 7.818 1.00 2.04 H new ATOM 0 HB3 GLU A 61 -12.441 -17.372 7.207 1.00 2.04 H new ATOM 0 HG2 GLU A 61 -9.785 -18.874 6.990 1.00 32.20 H new ATOM 0 HG3 GLU A 61 -11.016 -19.189 8.196 1.00 32.20 H new ATOM 986 N GLY A 62 -10.951 -14.487 4.648 1.00 22.00 N ATOM 987 CA GLY A 62 -11.296 -13.061 4.464 1.00 31.14 C ATOM 988 C GLY A 62 -10.353 -12.076 5.176 1.00 52.42 C ATOM 989 O GLY A 62 -10.288 -10.899 4.797 1.00 54.21 O ATOM 0 H GLY A 62 -10.208 -14.814 4.031 1.00 22.00 H new ATOM 0 HA2 GLY A 62 -11.297 -12.836 3.398 1.00 31.14 H new ATOM 0 HA3 GLY A 62 -12.311 -12.897 4.825 1.00 31.14 H new ATOM 993 N GLU A 63 -9.622 -12.540 6.211 1.00 12.31 N ATOM 994 CA GLU A 63 -8.624 -11.701 6.925 1.00 31.01 C ATOM 995 C GLU A 63 -7.291 -11.616 6.149 1.00 61.21 C ATOM 996 O GLU A 63 -6.793 -12.626 5.630 1.00 74.30 O ATOM 997 CB GLU A 63 -8.331 -12.243 8.354 1.00 1.12 C ATOM 998 CG GLU A 63 -9.538 -12.253 9.306 1.00 12.35 C ATOM 999 CD GLU A 63 -9.124 -12.480 10.767 1.00 3.30 C ATOM 1000 OE1 GLU A 63 -8.687 -11.505 11.428 1.00 33.30 O ATOM 1001 OE2 GLU A 63 -9.208 -13.625 11.254 1.00 24.41 O ATOM 0 H GLU A 63 -9.701 -13.490 6.574 1.00 12.31 H new ATOM 0 HA GLU A 63 -9.064 -10.707 7.000 1.00 31.01 H new ATOM 0 HB2 GLU A 63 -7.946 -13.259 8.269 1.00 1.12 H new ATOM 0 HB3 GLU A 63 -7.541 -11.639 8.800 1.00 1.12 H new ATOM 0 HG2 GLU A 63 -10.071 -11.305 9.224 1.00 12.35 H new ATOM 0 HG3 GLU A 63 -10.232 -13.036 9.001 1.00 12.35 H new ATOM 1008 N ILE A 64 -6.731 -10.396 6.077 1.00 4.52 N ATOM 1009 CA ILE A 64 -5.352 -10.171 5.617 1.00 42.43 C ATOM 1010 C ILE A 64 -4.369 -10.599 6.735 1.00 75.13 C ATOM 1011 O ILE A 64 -4.189 -9.883 7.731 1.00 13.41 O ATOM 1012 CB ILE A 64 -5.108 -8.660 5.227 1.00 43.23 C ATOM 1013 CG1 ILE A 64 -6.135 -8.197 4.139 1.00 64.43 C ATOM 1014 CG2 ILE A 64 -3.643 -8.422 4.758 1.00 73.12 C ATOM 1015 CD1 ILE A 64 -6.059 -6.717 3.767 1.00 12.02 C ATOM 0 H ILE A 64 -7.222 -9.540 6.336 1.00 4.52 H new ATOM 0 HA ILE A 64 -5.183 -10.770 4.722 1.00 42.43 H new ATOM 0 HB ILE A 64 -5.264 -8.054 6.120 1.00 43.23 H new ATOM 0 HG12 ILE A 64 -5.980 -8.791 3.238 1.00 64.43 H new ATOM 0 HG13 ILE A 64 -7.142 -8.415 4.495 1.00 64.43 H new ATOM 0 HG21 ILE A 64 -3.510 -7.372 4.498 1.00 73.12 H new ATOM 0 HG22 ILE A 64 -2.956 -8.686 5.562 1.00 73.12 H new ATOM 0 HG23 ILE A 64 -3.435 -9.041 3.885 1.00 73.12 H new ATOM 0 HD11 ILE A 64 -6.808 -6.494 3.007 1.00 12.02 H new ATOM 0 HD12 ILE A 64 -6.247 -6.109 4.652 1.00 12.02 H new ATOM 0 HD13 ILE A 64 -5.067 -6.491 3.376 1.00 12.02 H new ATOM 1027 N PHE A 65 -3.792 -11.797 6.584 1.00 40.32 N ATOM 1028 CA PHE A 65 -2.772 -12.328 7.508 1.00 31.22 C ATOM 1029 C PHE A 65 -1.362 -11.959 7.004 1.00 1.41 C ATOM 1030 O PHE A 65 -1.101 -11.974 5.799 1.00 21.55 O ATOM 1031 CB PHE A 65 -2.909 -13.874 7.647 1.00 24.04 C ATOM 1032 CG PHE A 65 -1.884 -14.500 8.600 1.00 34.42 C ATOM 1033 CD1 PHE A 65 -2.033 -14.375 9.981 1.00 62.02 C ATOM 1034 CD2 PHE A 65 -0.758 -15.180 8.120 1.00 53.12 C ATOM 1035 CE1 PHE A 65 -1.100 -14.911 10.847 1.00 2.32 C ATOM 1036 CE2 PHE A 65 0.174 -15.710 8.992 1.00 44.05 C ATOM 1037 CZ PHE A 65 0.002 -15.577 10.353 1.00 42.32 C ATOM 0 H PHE A 65 -4.017 -12.430 5.817 1.00 40.32 H new ATOM 0 HA PHE A 65 -2.925 -11.881 8.490 1.00 31.22 H new ATOM 0 HB2 PHE A 65 -3.913 -14.111 8.000 1.00 24.04 H new ATOM 0 HB3 PHE A 65 -2.802 -14.329 6.662 1.00 24.04 H new ATOM 0 HD1 PHE A 65 -2.890 -13.852 10.379 1.00 62.02 H new ATOM 0 HD2 PHE A 65 -0.616 -15.292 7.055 1.00 53.12 H new ATOM 0 HE1 PHE A 65 -1.234 -14.808 11.914 1.00 2.32 H new ATOM 0 HE2 PHE A 65 1.039 -16.229 8.606 1.00 44.05 H new ATOM 0 HZ PHE A 65 0.730 -15.994 11.033 1.00 42.32 H new ATOM 1047 N VAL A 66 -0.471 -11.601 7.933 1.00 63.42 N ATOM 1048 CA VAL A 66 0.956 -11.370 7.638 1.00 35.12 C ATOM 1049 C VAL A 66 1.849 -11.930 8.775 1.00 40.11 C ATOM 1050 O VAL A 66 1.455 -11.933 9.945 1.00 11.21 O ATOM 1051 CB VAL A 66 1.237 -9.844 7.376 1.00 51.15 C ATOM 1052 CG1 VAL A 66 0.753 -8.971 8.552 1.00 32.44 C ATOM 1053 CG2 VAL A 66 2.729 -9.586 7.056 1.00 4.31 C ATOM 0 H VAL A 66 -0.714 -11.462 8.914 1.00 63.42 H new ATOM 0 HA VAL A 66 1.209 -11.908 6.725 1.00 35.12 H new ATOM 0 HB VAL A 66 0.662 -9.555 6.496 1.00 51.15 H new ATOM 0 HG11 VAL A 66 0.963 -7.923 8.338 1.00 32.44 H new ATOM 0 HG12 VAL A 66 -0.320 -9.106 8.688 1.00 32.44 H new ATOM 0 HG13 VAL A 66 1.274 -9.266 9.463 1.00 32.44 H new ATOM 0 HG21 VAL A 66 2.885 -8.521 6.881 1.00 4.31 H new ATOM 0 HG22 VAL A 66 3.343 -9.909 7.897 1.00 4.31 H new ATOM 0 HG23 VAL A 66 3.012 -10.146 6.164 1.00 4.31 H new ATOM 1063 N LYS A 67 3.052 -12.413 8.417 1.00 42.24 N ATOM 1064 CA LYS A 67 4.011 -12.986 9.383 1.00 31.43 C ATOM 1065 C LYS A 67 5.451 -12.610 9.006 1.00 4.33 C ATOM 1066 O LYS A 67 5.759 -12.476 7.824 1.00 20.32 O ATOM 1067 CB LYS A 67 3.829 -14.531 9.430 1.00 24.21 C ATOM 1068 CG LYS A 67 4.080 -15.258 8.090 1.00 44.12 C ATOM 1069 CD LYS A 67 3.718 -16.771 8.101 1.00 32.14 C ATOM 1070 CE LYS A 67 4.534 -17.625 9.103 1.00 44.10 C ATOM 1071 NZ LYS A 67 4.045 -17.506 10.502 1.00 40.11 N ATOM 0 H LYS A 67 3.388 -12.418 7.454 1.00 42.24 H new ATOM 0 HA LYS A 67 3.815 -12.576 10.374 1.00 31.43 H new ATOM 0 HB2 LYS A 67 4.506 -14.939 10.180 1.00 24.21 H new ATOM 0 HB3 LYS A 67 2.815 -14.753 9.762 1.00 24.21 H new ATOM 0 HG2 LYS A 67 3.502 -14.764 7.309 1.00 44.12 H new ATOM 0 HG3 LYS A 67 5.132 -15.151 7.824 1.00 44.12 H new ATOM 0 HD2 LYS A 67 2.658 -16.875 8.334 1.00 32.14 H new ATOM 0 HD3 LYS A 67 3.865 -17.173 7.098 1.00 32.14 H new ATOM 0 HE2 LYS A 67 4.494 -18.671 8.798 1.00 44.10 H new ATOM 0 HE3 LYS A 67 5.580 -17.321 9.063 1.00 44.10 H new ATOM 0 HZ1 LYS A 67 4.059 -18.442 10.955 1.00 40.11 H new ATOM 0 HZ2 LYS A 67 4.661 -16.856 11.031 1.00 40.11 H new ATOM 0 HZ3 LYS A 67 3.073 -17.137 10.500 1.00 40.11 H new ATOM 1085 N LEU A 68 6.330 -12.435 10.013 1.00 13.23 N ATOM 1086 CA LEU A 68 7.775 -12.195 9.772 1.00 64.33 C ATOM 1087 C LEU A 68 8.419 -13.427 9.092 1.00 13.14 C ATOM 1088 O LEU A 68 7.991 -14.569 9.339 1.00 41.33 O ATOM 1089 CB LEU A 68 8.526 -11.887 11.100 1.00 44.35 C ATOM 1090 CG LEU A 68 8.036 -10.642 11.915 1.00 35.02 C ATOM 1091 CD1 LEU A 68 8.926 -10.396 13.156 1.00 71.43 C ATOM 1092 CD2 LEU A 68 7.961 -9.380 11.030 1.00 42.44 C ATOM 0 H LEU A 68 6.070 -12.454 10.999 1.00 13.23 H new ATOM 0 HA LEU A 68 7.860 -11.329 9.115 1.00 64.33 H new ATOM 0 HB2 LEU A 68 8.453 -12.764 11.743 1.00 44.35 H new ATOM 0 HB3 LEU A 68 9.582 -11.748 10.869 1.00 44.35 H new ATOM 0 HG LEU A 68 7.027 -10.861 12.265 1.00 35.02 H new ATOM 0 HD11 LEU A 68 8.559 -9.525 13.700 1.00 71.43 H new ATOM 0 HD12 LEU A 68 8.893 -11.270 13.806 1.00 71.43 H new ATOM 0 HD13 LEU A 68 9.953 -10.219 12.838 1.00 71.43 H new ATOM 0 HD21 LEU A 68 7.618 -8.536 11.628 1.00 42.44 H new ATOM 0 HD22 LEU A 68 8.949 -9.160 10.626 1.00 42.44 H new ATOM 0 HD23 LEU A 68 7.263 -9.551 10.210 1.00 42.44 H new ATOM 1104 N VAL A 69 9.428 -13.194 8.230 1.00 34.24 N ATOM 1105 CA VAL A 69 10.198 -14.290 7.598 1.00 42.35 C ATOM 1106 C VAL A 69 11.091 -14.990 8.659 1.00 74.45 C ATOM 1107 O VAL A 69 12.237 -14.593 8.904 1.00 61.55 O ATOM 1108 CB VAL A 69 11.060 -13.794 6.368 1.00 61.11 C ATOM 1109 CG1 VAL A 69 11.879 -14.957 5.729 1.00 32.34 C ATOM 1110 CG2 VAL A 69 10.163 -13.103 5.306 1.00 34.05 C ATOM 0 H VAL A 69 9.730 -12.260 7.954 1.00 34.24 H new ATOM 0 HA VAL A 69 9.482 -15.010 7.202 1.00 42.35 H new ATOM 0 HB VAL A 69 11.773 -13.061 6.745 1.00 61.11 H new ATOM 0 HG11 VAL A 69 12.457 -14.575 4.888 1.00 32.34 H new ATOM 0 HG12 VAL A 69 12.555 -15.378 6.473 1.00 32.34 H new ATOM 0 HG13 VAL A 69 11.198 -15.732 5.379 1.00 32.34 H new ATOM 0 HG21 VAL A 69 10.779 -12.771 4.470 1.00 34.05 H new ATOM 0 HG22 VAL A 69 9.414 -13.809 4.947 1.00 34.05 H new ATOM 0 HG23 VAL A 69 9.665 -12.243 5.754 1.00 34.05 H new ATOM 1302 N MET B 3 1.792 -15.965 -5.273 1.00 62.31 N ATOM 1303 CA MET B 3 2.092 -14.978 -4.201 1.00 32.00 C ATOM 1304 C MET B 3 1.167 -13.734 -4.298 1.00 21.02 C ATOM 1305 O MET B 3 0.897 -13.237 -5.396 1.00 2.13 O ATOM 1306 CB MET B 3 3.581 -14.532 -4.274 1.00 3.13 C ATOM 1307 CG MET B 3 4.602 -15.670 -4.098 1.00 4.34 C ATOM 1308 SD MET B 3 6.316 -15.092 -4.136 1.00 32.43 S ATOM 1309 CE MET B 3 6.373 -13.999 -2.711 1.00 12.42 C ATOM 0 HA MET B 3 1.908 -15.467 -3.244 1.00 32.00 H new ATOM 0 HB2 MET B 3 3.755 -14.051 -5.237 1.00 3.13 H new ATOM 0 HB3 MET B 3 3.759 -13.780 -3.505 1.00 3.13 H new ATOM 0 HG2 MET B 3 4.415 -16.175 -3.150 1.00 4.34 H new ATOM 0 HG3 MET B 3 4.455 -16.408 -4.887 1.00 4.34 H new ATOM 0 HE1 MET B 3 7.411 -13.829 -2.424 1.00 12.42 H new ATOM 0 HE2 MET B 3 5.906 -13.047 -2.964 1.00 12.42 H new ATOM 0 HE3 MET B 3 5.837 -14.457 -1.880 1.00 12.42 H new ATOM 1319 N LEU B 4 0.705 -13.235 -3.128 1.00 21.34 N ATOM 1320 CA LEU B 4 -0.114 -11.990 -3.028 1.00 72.42 C ATOM 1321 C LEU B 4 0.692 -10.716 -3.424 1.00 31.43 C ATOM 1322 O LEU B 4 0.114 -9.658 -3.671 1.00 34.03 O ATOM 1323 CB LEU B 4 -0.689 -11.837 -1.591 1.00 71.22 C ATOM 1324 CG LEU B 4 -1.546 -13.035 -1.050 1.00 31.45 C ATOM 1325 CD1 LEU B 4 -2.101 -12.734 0.362 1.00 0.14 C ATOM 1326 CD2 LEU B 4 -2.681 -13.413 -2.032 1.00 63.44 C ATOM 0 H LEU B 4 0.885 -13.677 -2.227 1.00 21.34 H new ATOM 0 HA LEU B 4 -0.934 -12.087 -3.739 1.00 72.42 H new ATOM 0 HB2 LEU B 4 0.143 -11.676 -0.906 1.00 71.22 H new ATOM 0 HB3 LEU B 4 -1.304 -10.937 -1.563 1.00 71.22 H new ATOM 0 HG LEU B 4 -0.886 -13.898 -0.970 1.00 31.45 H new ATOM 0 HD11 LEU B 4 -2.690 -13.582 0.710 1.00 0.14 H new ATOM 0 HD12 LEU B 4 -1.273 -12.561 1.049 1.00 0.14 H new ATOM 0 HD13 LEU B 4 -2.732 -11.846 0.323 1.00 0.14 H new ATOM 0 HD21 LEU B 4 -3.253 -14.246 -1.624 1.00 63.44 H new ATOM 0 HD22 LEU B 4 -3.339 -12.556 -2.174 1.00 63.44 H new ATOM 0 HD23 LEU B 4 -2.251 -13.703 -2.991 1.00 63.44 H new ATOM 1338 N LYS B 5 2.029 -10.836 -3.447 1.00 4.23 N ATOM 1339 CA LYS B 5 2.949 -9.787 -3.951 1.00 1.51 C ATOM 1340 C LYS B 5 2.703 -9.457 -5.452 1.00 50.14 C ATOM 1341 O LYS B 5 2.818 -8.297 -5.874 1.00 0.42 O ATOM 1342 CB LYS B 5 4.409 -10.276 -3.760 1.00 40.32 C ATOM 1343 CG LYS B 5 5.501 -9.315 -4.299 1.00 24.21 C ATOM 1344 CD LYS B 5 6.917 -9.928 -4.251 1.00 12.50 C ATOM 1345 CE LYS B 5 7.402 -10.201 -2.819 1.00 53.21 C ATOM 1346 NZ LYS B 5 7.636 -8.945 -2.050 1.00 12.45 N ATOM 0 H LYS B 5 2.513 -11.670 -3.114 1.00 4.23 H new ATOM 0 HA LYS B 5 2.765 -8.873 -3.385 1.00 1.51 H new ATOM 0 HB2 LYS B 5 4.584 -10.440 -2.697 1.00 40.32 H new ATOM 0 HB3 LYS B 5 4.520 -11.241 -4.254 1.00 40.32 H new ATOM 0 HG2 LYS B 5 5.263 -9.043 -5.327 1.00 24.21 H new ATOM 0 HG3 LYS B 5 5.489 -8.395 -3.715 1.00 24.21 H new ATOM 0 HD2 LYS B 5 6.923 -10.861 -4.815 1.00 12.50 H new ATOM 0 HD3 LYS B 5 7.617 -9.253 -4.744 1.00 12.50 H new ATOM 0 HE2 LYS B 5 6.664 -10.811 -2.298 1.00 53.21 H new ATOM 0 HE3 LYS B 5 8.325 -10.779 -2.855 1.00 53.21 H new ATOM 0 HZ1 LYS B 5 8.514 -9.033 -1.500 1.00 12.45 H new ATOM 0 HZ2 LYS B 5 7.719 -8.145 -2.709 1.00 12.45 H new ATOM 0 HZ3 LYS B 5 6.838 -8.780 -1.404 1.00 12.45 H new ATOM 1360 N GLU B 6 2.346 -10.495 -6.232 1.00 42.13 N ATOM 1361 CA GLU B 6 2.260 -10.421 -7.707 1.00 0.43 C ATOM 1362 C GLU B 6 1.180 -9.415 -8.187 1.00 11.04 C ATOM 1363 O GLU B 6 1.378 -8.709 -9.189 1.00 1.41 O ATOM 1364 CB GLU B 6 1.990 -11.838 -8.290 1.00 72.05 C ATOM 1365 CG GLU B 6 2.291 -11.988 -9.796 1.00 71.54 C ATOM 1366 CD GLU B 6 3.771 -11.715 -10.138 1.00 5.35 C ATOM 1367 OE1 GLU B 6 4.643 -12.501 -9.703 1.00 40.35 O ATOM 1368 OE2 GLU B 6 4.072 -10.708 -10.821 1.00 2.44 O ATOM 0 H GLU B 6 2.108 -11.413 -5.857 1.00 42.13 H new ATOM 0 HA GLU B 6 3.217 -10.052 -8.076 1.00 0.43 H new ATOM 0 HB2 GLU B 6 2.591 -12.562 -7.740 1.00 72.05 H new ATOM 0 HB3 GLU B 6 0.945 -12.094 -8.116 1.00 72.05 H new ATOM 0 HG2 GLU B 6 2.029 -12.996 -10.116 1.00 71.54 H new ATOM 0 HG3 GLU B 6 1.660 -11.300 -10.359 1.00 71.54 H new ATOM 1375 N LYS B 7 0.046 -9.346 -7.448 1.00 61.43 N ATOM 1376 CA LYS B 7 -1.055 -8.409 -7.770 1.00 3.32 C ATOM 1377 C LYS B 7 -0.678 -6.938 -7.481 1.00 2.24 C ATOM 1378 O LYS B 7 -1.171 -6.039 -8.156 1.00 55.23 O ATOM 1379 CB LYS B 7 -2.357 -8.759 -7.007 1.00 54.32 C ATOM 1380 CG LYS B 7 -2.268 -8.682 -5.456 1.00 73.14 C ATOM 1381 CD LYS B 7 -3.620 -8.368 -4.752 1.00 73.43 C ATOM 1382 CE LYS B 7 -4.711 -9.460 -4.919 1.00 13.33 C ATOM 1383 NZ LYS B 7 -5.295 -9.513 -6.289 1.00 13.43 N ATOM 0 H LYS B 7 -0.129 -9.927 -6.628 1.00 61.43 H new ATOM 0 HA LYS B 7 -1.230 -8.520 -8.840 1.00 3.32 H new ATOM 0 HB2 LYS B 7 -3.145 -8.085 -7.342 1.00 54.32 H new ATOM 0 HB3 LYS B 7 -2.660 -9.768 -7.286 1.00 54.32 H new ATOM 0 HG2 LYS B 7 -1.887 -9.631 -5.078 1.00 73.14 H new ATOM 0 HG3 LYS B 7 -1.543 -7.915 -5.183 1.00 73.14 H new ATOM 0 HD2 LYS B 7 -3.434 -8.220 -3.688 1.00 73.43 H new ATOM 0 HD3 LYS B 7 -4.006 -7.426 -5.142 1.00 73.43 H new ATOM 0 HE2 LYS B 7 -4.281 -10.432 -4.678 1.00 13.33 H new ATOM 0 HE3 LYS B 7 -5.509 -9.278 -4.199 1.00 13.33 H new ATOM 0 HZ1 LYS B 7 -6.281 -9.841 -6.234 1.00 13.43 H new ATOM 0 HZ2 LYS B 7 -5.269 -8.564 -6.715 1.00 13.43 H new ATOM 0 HZ3 LYS B 7 -4.744 -10.171 -6.876 1.00 13.43 H new ATOM 1397 N ALA B 8 0.175 -6.706 -6.459 1.00 75.44 N ATOM 1398 CA ALA B 8 0.683 -5.348 -6.124 1.00 52.03 C ATOM 1399 C ALA B 8 1.536 -4.786 -7.283 1.00 0.05 C ATOM 1400 O ALA B 8 1.484 -3.592 -7.590 1.00 55.03 O ATOM 1401 CB ALA B 8 1.489 -5.388 -4.812 1.00 3.41 C ATOM 0 H ALA B 8 0.530 -7.441 -5.847 1.00 75.44 H new ATOM 0 HA ALA B 8 -0.168 -4.682 -5.981 1.00 52.03 H new ATOM 0 HB1 ALA B 8 1.855 -4.388 -4.579 1.00 3.41 H new ATOM 0 HB2 ALA B 8 0.849 -5.738 -4.002 1.00 3.41 H new ATOM 0 HB3 ALA B 8 2.335 -6.066 -4.925 1.00 3.41 H new ATOM 1407 N GLY B 9 2.299 -5.691 -7.931 1.00 53.50 N ATOM 1408 CA GLY B 9 3.085 -5.360 -9.127 1.00 73.51 C ATOM 1409 C GLY B 9 2.228 -5.166 -10.391 1.00 24.11 C ATOM 1410 O GLY B 9 2.554 -4.335 -11.246 1.00 61.41 O ATOM 0 H GLY B 9 2.384 -6.664 -7.638 1.00 53.50 H new ATOM 0 HA2 GLY B 9 3.652 -4.448 -8.939 1.00 73.51 H new ATOM 0 HA3 GLY B 9 3.809 -6.154 -9.307 1.00 73.51 H new ATOM 1414 N ALA B 10 1.128 -5.945 -10.506 1.00 24.13 N ATOM 1415 CA ALA B 10 0.181 -5.855 -11.653 1.00 54.53 C ATOM 1416 C ALA B 10 -0.600 -4.518 -11.631 1.00 50.30 C ATOM 1417 O ALA B 10 -0.624 -3.779 -12.629 1.00 65.11 O ATOM 1418 CB ALA B 10 -0.791 -7.047 -11.640 1.00 41.34 C ATOM 0 H ALA B 10 0.869 -6.649 -9.815 1.00 24.13 H new ATOM 0 HA ALA B 10 0.763 -5.888 -12.574 1.00 54.53 H new ATOM 0 HB1 ALA B 10 -1.476 -6.967 -12.484 1.00 41.34 H new ATOM 0 HB2 ALA B 10 -0.227 -7.977 -11.717 1.00 41.34 H new ATOM 0 HB3 ALA B 10 -1.359 -7.043 -10.710 1.00 41.34 H new ATOM 1424 N LEU B 11 -1.217 -4.224 -10.462 1.00 62.55 N ATOM 1425 CA LEU B 11 -1.916 -2.945 -10.184 1.00 33.30 C ATOM 1426 C LEU B 11 -0.973 -1.741 -10.357 1.00 74.13 C ATOM 1427 O LEU B 11 -1.391 -0.698 -10.856 1.00 11.23 O ATOM 1428 CB LEU B 11 -2.511 -2.956 -8.746 1.00 21.00 C ATOM 1429 CG LEU B 11 -3.704 -3.937 -8.516 1.00 30.02 C ATOM 1430 CD1 LEU B 11 -4.047 -4.074 -7.014 1.00 11.04 C ATOM 1431 CD2 LEU B 11 -4.942 -3.501 -9.339 1.00 13.23 C ATOM 0 H LEU B 11 -1.244 -4.874 -9.677 1.00 62.55 H new ATOM 0 HA LEU B 11 -2.727 -2.845 -10.906 1.00 33.30 H new ATOM 0 HB2 LEU B 11 -1.716 -3.209 -8.045 1.00 21.00 H new ATOM 0 HB3 LEU B 11 -2.842 -1.947 -8.501 1.00 21.00 H new ATOM 0 HG LEU B 11 -3.396 -4.922 -8.867 1.00 30.02 H new ATOM 0 HD11 LEU B 11 -4.882 -4.764 -6.893 1.00 11.04 H new ATOM 0 HD12 LEU B 11 -3.179 -4.456 -6.476 1.00 11.04 H new ATOM 0 HD13 LEU B 11 -4.322 -3.098 -6.613 1.00 11.04 H new ATOM 0 HD21 LEU B 11 -5.760 -4.199 -9.163 1.00 13.23 H new ATOM 0 HD22 LEU B 11 -5.247 -2.500 -9.034 1.00 13.23 H new ATOM 0 HD23 LEU B 11 -4.691 -3.497 -10.400 1.00 13.23 H new ATOM 1443 N ALA B 12 0.303 -1.916 -9.951 1.00 50.11 N ATOM 1444 CA ALA B 12 1.354 -0.891 -10.136 1.00 0.25 C ATOM 1445 C ALA B 12 1.519 -0.492 -11.617 1.00 64.23 C ATOM 1446 O ALA B 12 1.591 0.695 -11.937 1.00 12.20 O ATOM 1447 CB ALA B 12 2.699 -1.366 -9.572 1.00 44.12 C ATOM 0 H ALA B 12 0.632 -2.764 -9.490 1.00 50.11 H new ATOM 0 HA ALA B 12 1.030 -0.010 -9.582 1.00 0.25 H new ATOM 0 HB1 ALA B 12 3.451 -0.591 -9.723 1.00 44.12 H new ATOM 0 HB2 ALA B 12 2.595 -1.568 -8.506 1.00 44.12 H new ATOM 0 HB3 ALA B 12 3.008 -2.276 -10.086 1.00 44.12 H new ATOM 1453 N GLY B 13 1.562 -1.511 -12.497 1.00 13.52 N ATOM 1454 CA GLY B 13 1.627 -1.295 -13.947 1.00 15.53 C ATOM 1455 C GLY B 13 0.417 -0.535 -14.499 1.00 40.53 C ATOM 1456 O GLY B 13 0.579 0.454 -15.204 1.00 73.21 O ATOM 0 H GLY B 13 1.553 -2.493 -12.223 1.00 13.52 H new ATOM 0 HA2 GLY B 13 2.535 -0.741 -14.185 1.00 15.53 H new ATOM 0 HA3 GLY B 13 1.702 -2.260 -14.449 1.00 15.53 H new ATOM 1460 N GLN B 14 -0.797 -0.985 -14.115 1.00 33.11 N ATOM 1461 CA GLN B 14 -2.085 -0.408 -14.597 1.00 74.10 C ATOM 1462 C GLN B 14 -2.214 1.097 -14.234 1.00 0.14 C ATOM 1463 O GLN B 14 -2.518 1.936 -15.093 1.00 64.24 O ATOM 1464 CB GLN B 14 -3.272 -1.224 -14.002 1.00 24.14 C ATOM 1465 CG GLN B 14 -3.228 -2.729 -14.344 1.00 75.23 C ATOM 1466 CD GLN B 14 -4.315 -3.559 -13.653 1.00 11.51 C ATOM 1467 OE1 GLN B 14 -4.124 -4.055 -12.551 1.00 35.33 O ATOM 1468 NE2 GLN B 14 -5.451 -3.733 -14.297 1.00 54.40 N ATOM 0 H GLN B 14 -0.919 -1.759 -13.462 1.00 33.11 H new ATOM 0 HA GLN B 14 -2.107 -0.476 -15.685 1.00 74.10 H new ATOM 0 HB2 GLN B 14 -3.274 -1.107 -12.918 1.00 24.14 H new ATOM 0 HB3 GLN B 14 -4.209 -0.805 -14.369 1.00 24.14 H new ATOM 0 HG2 GLN B 14 -3.325 -2.849 -15.423 1.00 75.23 H new ATOM 0 HG3 GLN B 14 -2.251 -3.125 -14.066 1.00 75.23 H new ATOM 0 HE21 GLN B 14 -5.587 -3.309 -15.215 1.00 54.40 H new ATOM 0 HE22 GLN B 14 -6.195 -4.291 -13.878 1.00 54.40 H new ATOM 1477 N ILE B 15 -1.944 1.415 -12.954 1.00 14.44 N ATOM 1478 CA ILE B 15 -1.962 2.802 -12.419 1.00 32.22 C ATOM 1479 C ILE B 15 -0.889 3.692 -13.102 1.00 11.10 C ATOM 1480 O ILE B 15 -1.172 4.831 -13.500 1.00 52.43 O ATOM 1481 CB ILE B 15 -1.737 2.784 -10.853 1.00 21.40 C ATOM 1482 CG1 ILE B 15 -2.899 2.011 -10.145 1.00 11.04 C ATOM 1483 CG2 ILE B 15 -1.572 4.213 -10.259 1.00 21.14 C ATOM 1484 CD1 ILE B 15 -2.680 1.753 -8.661 1.00 14.12 C ATOM 0 H ILE B 15 -1.705 0.716 -12.251 1.00 14.44 H new ATOM 0 HA ILE B 15 -2.940 3.231 -12.639 1.00 32.22 H new ATOM 0 HB ILE B 15 -0.800 2.260 -10.666 1.00 21.40 H new ATOM 0 HG12 ILE B 15 -3.822 2.577 -10.269 1.00 11.04 H new ATOM 0 HG13 ILE B 15 -3.041 1.055 -10.649 1.00 11.04 H new ATOM 0 HG21 ILE B 15 -1.420 4.144 -9.182 1.00 21.14 H new ATOM 0 HG22 ILE B 15 -0.711 4.700 -10.716 1.00 21.14 H new ATOM 0 HG23 ILE B 15 -2.469 4.797 -10.462 1.00 21.14 H new ATOM 0 HD11 ILE B 15 -3.535 1.213 -8.255 1.00 14.12 H new ATOM 0 HD12 ILE B 15 -1.777 1.158 -8.525 1.00 14.12 H new ATOM 0 HD13 ILE B 15 -2.570 2.703 -8.139 1.00 14.12 H new ATOM 1496 N TRP B 16 0.331 3.140 -13.247 1.00 20.24 N ATOM 1497 CA TRP B 16 1.483 3.852 -13.840 1.00 55.13 C ATOM 1498 C TRP B 16 1.232 4.213 -15.326 1.00 25.44 C ATOM 1499 O TRP B 16 1.622 5.283 -15.776 1.00 20.12 O ATOM 1500 CB TRP B 16 2.770 2.995 -13.713 1.00 53.45 C ATOM 1501 CG TRP B 16 4.020 3.715 -14.157 1.00 1.20 C ATOM 1502 CD1 TRP B 16 4.781 4.551 -13.401 1.00 44.33 C ATOM 1503 CD2 TRP B 16 4.626 3.687 -15.458 1.00 4.11 C ATOM 1504 NE1 TRP B 16 5.844 5.015 -14.134 1.00 3.11 N ATOM 1505 CE2 TRP B 16 5.758 4.517 -15.406 1.00 20.05 C ATOM 1506 CE3 TRP B 16 4.317 3.040 -16.658 1.00 44.22 C ATOM 1507 CZ2 TRP B 16 6.588 4.714 -16.506 1.00 53.11 C ATOM 1508 CZ3 TRP B 16 5.133 3.240 -17.752 1.00 2.42 C ATOM 1509 CH2 TRP B 16 6.257 4.074 -17.671 1.00 53.40 C ATOM 0 H TRP B 16 0.547 2.187 -12.956 1.00 20.24 H new ATOM 0 HA TRP B 16 1.613 4.782 -13.287 1.00 55.13 H new ATOM 0 HB2 TRP B 16 2.889 2.684 -12.675 1.00 53.45 H new ATOM 0 HB3 TRP B 16 2.653 2.088 -14.306 1.00 53.45 H new ATOM 0 HD1 TRP B 16 4.578 4.812 -12.373 1.00 44.33 H new ATOM 0 HE1 TRP B 16 6.579 5.631 -13.787 1.00 3.11 H new ATOM 0 HE3 TRP B 16 3.454 2.394 -16.727 1.00 44.22 H new ATOM 0 HZ2 TRP B 16 7.460 5.348 -16.443 1.00 53.11 H new ATOM 0 HZ3 TRP B 16 4.903 2.747 -18.685 1.00 2.42 H new ATOM 0 HH2 TRP B 16 6.875 4.215 -18.546 1.00 53.40 H new ATOM 1520 N GLU B 17 0.598 3.287 -16.072 1.00 10.50 N ATOM 1521 CA GLU B 17 0.275 3.469 -17.510 1.00 31.23 C ATOM 1522 C GLU B 17 -0.818 4.547 -17.730 1.00 5.42 C ATOM 1523 O GLU B 17 -0.869 5.174 -18.795 1.00 52.10 O ATOM 1524 CB GLU B 17 -0.124 2.111 -18.149 1.00 34.34 C ATOM 1525 CG GLU B 17 1.044 1.100 -18.236 1.00 42.52 C ATOM 1526 CD GLU B 17 0.623 -0.277 -18.785 1.00 34.34 C ATOM 1527 OE1 GLU B 17 0.621 -0.457 -20.022 1.00 43.23 O ATOM 1528 OE2 GLU B 17 0.276 -1.178 -17.984 1.00 1.14 O ATOM 0 H GLU B 17 0.293 2.388 -15.698 1.00 10.50 H new ATOM 0 HA GLU B 17 1.172 3.833 -18.010 1.00 31.23 H new ATOM 0 HB2 GLU B 17 -0.933 1.669 -17.567 1.00 34.34 H new ATOM 0 HB3 GLU B 17 -0.513 2.291 -19.151 1.00 34.34 H new ATOM 0 HG2 GLU B 17 1.826 1.513 -18.873 1.00 42.52 H new ATOM 0 HG3 GLU B 17 1.477 0.970 -17.244 1.00 42.52 H new ATOM 1535 N ALA B 18 -1.682 4.755 -16.713 1.00 65.45 N ATOM 1536 CA ALA B 18 -2.645 5.889 -16.686 1.00 44.42 C ATOM 1537 C ALA B 18 -1.915 7.244 -16.441 1.00 1.14 C ATOM 1538 O ALA B 18 -2.372 8.304 -16.890 1.00 23.33 O ATOM 1539 CB ALA B 18 -3.719 5.648 -15.609 1.00 64.50 C ATOM 0 H ALA B 18 -1.736 4.151 -15.893 1.00 65.45 H new ATOM 0 HA ALA B 18 -3.131 5.946 -17.660 1.00 44.42 H new ATOM 0 HB1 ALA B 18 -4.418 6.484 -15.599 1.00 64.50 H new ATOM 0 HB2 ALA B 18 -4.258 4.727 -15.832 1.00 64.50 H new ATOM 0 HB3 ALA B 18 -3.242 5.562 -14.633 1.00 64.50 H new ATOM 1545 N LEU B 19 -0.782 7.190 -15.708 1.00 32.23 N ATOM 1546 CA LEU B 19 0.085 8.367 -15.439 1.00 60.20 C ATOM 1547 C LEU B 19 1.128 8.587 -16.571 1.00 15.22 C ATOM 1548 O LEU B 19 1.673 9.689 -16.720 1.00 31.11 O ATOM 1549 CB LEU B 19 0.808 8.177 -14.079 1.00 21.43 C ATOM 1550 CG LEU B 19 -0.112 8.003 -12.832 1.00 41.34 C ATOM 1551 CD1 LEU B 19 0.720 7.793 -11.543 1.00 72.22 C ATOM 1552 CD2 LEU B 19 -1.088 9.193 -12.699 1.00 41.24 C ATOM 0 H LEU B 19 -0.438 6.329 -15.283 1.00 32.23 H new ATOM 0 HA LEU B 19 -0.549 9.253 -15.402 1.00 60.20 H new ATOM 0 HB2 LEU B 19 1.454 7.303 -14.153 1.00 21.43 H new ATOM 0 HB3 LEU B 19 1.455 9.038 -13.911 1.00 21.43 H new ATOM 0 HG LEU B 19 -0.710 7.103 -12.975 1.00 41.34 H new ATOM 0 HD11 LEU B 19 0.049 7.675 -10.692 1.00 72.22 H new ATOM 0 HD12 LEU B 19 1.334 6.898 -11.648 1.00 72.22 H new ATOM 0 HD13 LEU B 19 1.364 8.658 -11.380 1.00 72.22 H new ATOM 0 HD21 LEU B 19 -1.719 9.049 -11.822 1.00 41.24 H new ATOM 0 HD22 LEU B 19 -0.521 10.118 -12.591 1.00 41.24 H new ATOM 0 HD23 LEU B 19 -1.713 9.253 -13.590 1.00 41.24 H new ATOM 1564 N ASN B 20 1.406 7.518 -17.343 1.00 61.11 N ATOM 1565 CA ASN B 20 2.380 7.539 -18.454 1.00 64.14 C ATOM 1566 C ASN B 20 1.852 8.384 -19.634 1.00 41.24 C ATOM 1567 O ASN B 20 0.781 8.100 -20.183 1.00 65.11 O ATOM 1568 CB ASN B 20 2.718 6.085 -18.889 1.00 54.52 C ATOM 1569 CG ASN B 20 3.690 6.012 -20.067 1.00 41.20 C ATOM 1570 OD1 ASN B 20 3.291 5.867 -21.216 1.00 13.33 O ATOM 1571 ND2 ASN B 20 4.972 6.146 -19.792 1.00 40.55 N ATOM 0 H ASN B 20 0.959 6.610 -17.213 1.00 61.11 H new ATOM 0 HA ASN B 20 3.300 8.011 -18.111 1.00 64.14 H new ATOM 0 HB2 ASN B 20 3.146 5.551 -18.041 1.00 54.52 H new ATOM 0 HB3 ASN B 20 1.795 5.570 -19.157 1.00 54.52 H new ATOM 0 HD21 ASN B 20 5.660 6.130 -20.545 1.00 40.55 H new ATOM 0 HD22 ASN B 20 5.277 6.265 -18.826 1.00 40.55 H new ATOM 1578 N GLY B 21 2.614 9.435 -19.989 1.00 3.43 N ATOM 1579 CA GLY B 21 2.213 10.404 -21.018 1.00 41.34 C ATOM 1580 C GLY B 21 1.572 11.669 -20.434 1.00 21.13 C ATOM 1581 O GLY B 21 1.727 12.763 -20.990 1.00 23.02 O ATOM 0 H GLY B 21 3.522 9.633 -19.570 1.00 3.43 H new ATOM 0 HA2 GLY B 21 3.087 10.685 -21.605 1.00 41.34 H new ATOM 0 HA3 GLY B 21 1.509 9.929 -21.701 1.00 41.34 H new ATOM 1585 N THR B 22 0.839 11.508 -19.315 1.00 63.43 N ATOM 1586 CA THR B 22 0.168 12.628 -18.609 1.00 32.55 C ATOM 1587 C THR B 22 1.096 13.276 -17.550 1.00 0.11 C ATOM 1588 O THR B 22 2.200 12.783 -17.274 1.00 74.45 O ATOM 1589 CB THR B 22 -1.156 12.154 -17.901 1.00 45.13 C ATOM 1590 OG1 THR B 22 -0.855 11.291 -16.786 1.00 53.53 O ATOM 1591 CG2 THR B 22 -2.097 11.419 -18.874 1.00 4.22 C ATOM 0 H THR B 22 0.693 10.601 -18.872 1.00 63.43 H new ATOM 0 HA THR B 22 -0.075 13.368 -19.372 1.00 32.55 H new ATOM 0 HB THR B 22 -1.664 13.050 -17.545 1.00 45.13 H new ATOM 0 HG1 THR B 22 0.069 10.974 -16.858 1.00 53.53 H new ATOM 0 HG21 THR B 22 -2.998 11.109 -18.345 1.00 4.22 H new ATOM 0 HG22 THR B 22 -2.368 12.086 -19.692 1.00 4.22 H new ATOM 0 HG23 THR B 22 -1.592 10.540 -19.275 1.00 4.22 H new ATOM 1599 N GLU B 23 0.624 14.383 -16.952 1.00 31.33 N ATOM 1600 CA GLU B 23 1.342 15.111 -15.874 1.00 14.42 C ATOM 1601 C GLU B 23 0.970 14.574 -14.466 1.00 71.40 C ATOM 1602 O GLU B 23 1.357 15.165 -13.451 1.00 4.14 O ATOM 1603 CB GLU B 23 0.993 16.619 -15.970 1.00 60.31 C ATOM 1604 CG GLU B 23 1.356 17.277 -17.317 1.00 73.32 C ATOM 1605 CD GLU B 23 0.784 18.695 -17.453 1.00 22.33 C ATOM 1606 OE1 GLU B 23 -0.386 18.832 -17.871 1.00 74.44 O ATOM 1607 OE2 GLU B 23 1.488 19.675 -17.115 1.00 75.01 O ATOM 0 H GLU B 23 -0.271 14.806 -17.199 1.00 31.33 H new ATOM 0 HA GLU B 23 2.413 14.957 -16.009 1.00 14.42 H new ATOM 0 HB2 GLU B 23 -0.076 16.743 -15.796 1.00 60.31 H new ATOM 0 HB3 GLU B 23 1.510 17.150 -15.170 1.00 60.31 H new ATOM 0 HG2 GLU B 23 2.441 17.315 -17.418 1.00 73.32 H new ATOM 0 HG3 GLU B 23 0.981 16.658 -18.132 1.00 73.32 H new ATOM 1614 N GLY B 24 0.222 13.448 -14.422 1.00 24.41 N ATOM 1615 CA GLY B 24 -0.260 12.860 -13.164 1.00 50.21 C ATOM 1616 C GLY B 24 -1.649 13.355 -12.753 1.00 63.23 C ATOM 1617 O GLY B 24 -1.976 14.532 -12.941 1.00 3.41 O ATOM 0 H GLY B 24 -0.059 12.929 -15.254 1.00 24.41 H new ATOM 0 HA2 GLY B 24 -0.285 11.775 -13.265 1.00 50.21 H new ATOM 0 HA3 GLY B 24 0.449 13.090 -12.369 1.00 50.21 H new ATOM 1621 N LEU B 25 -2.475 12.448 -12.208 1.00 61.13 N ATOM 1622 CA LEU B 25 -3.870 12.743 -11.789 1.00 0.24 C ATOM 1623 C LEU B 25 -4.052 12.482 -10.270 1.00 2.53 C ATOM 1624 O LEU B 25 -3.121 12.034 -9.588 1.00 54.11 O ATOM 1625 CB LEU B 25 -4.899 11.880 -12.603 1.00 35.34 C ATOM 1626 CG LEU B 25 -4.945 12.063 -14.171 1.00 75.33 C ATOM 1627 CD1 LEU B 25 -3.755 11.374 -14.887 1.00 40.15 C ATOM 1628 CD2 LEU B 25 -6.297 11.572 -14.754 1.00 13.21 C ATOM 0 H LEU B 25 -2.199 11.480 -12.041 1.00 61.13 H new ATOM 0 HA LEU B 25 -4.061 13.796 -11.994 1.00 0.24 H new ATOM 0 HB2 LEU B 25 -4.692 10.830 -12.395 1.00 35.34 H new ATOM 0 HB3 LEU B 25 -5.895 12.092 -12.213 1.00 35.34 H new ATOM 0 HG LEU B 25 -4.854 13.133 -14.361 1.00 75.33 H new ATOM 0 HD11 LEU B 25 -3.837 11.532 -15.962 1.00 40.15 H new ATOM 0 HD12 LEU B 25 -2.818 11.800 -14.528 1.00 40.15 H new ATOM 0 HD13 LEU B 25 -3.772 10.305 -14.675 1.00 40.15 H new ATOM 0 HD21 LEU B 25 -6.299 11.711 -15.835 1.00 13.21 H new ATOM 0 HD22 LEU B 25 -6.430 10.515 -14.524 1.00 13.21 H new ATOM 0 HD23 LEU B 25 -7.113 12.145 -14.313 1.00 13.21 H new ATOM 1640 N THR B 26 -5.257 12.780 -9.744 1.00 11.52 N ATOM 1641 CA THR B 26 -5.629 12.441 -8.347 1.00 43.21 C ATOM 1642 C THR B 26 -6.208 11.011 -8.278 1.00 13.34 C ATOM 1643 O THR B 26 -6.573 10.435 -9.311 1.00 73.10 O ATOM 1644 CB THR B 26 -6.673 13.445 -7.749 1.00 60.44 C ATOM 1645 OG1 THR B 26 -7.889 13.402 -8.516 1.00 22.04 O ATOM 1646 CG2 THR B 26 -6.128 14.889 -7.710 1.00 45.41 C ATOM 0 H THR B 26 -5.994 13.256 -10.264 1.00 11.52 H new ATOM 0 HA THR B 26 -4.717 12.507 -7.754 1.00 43.21 H new ATOM 0 HB THR B 26 -6.874 13.139 -6.722 1.00 60.44 H new ATOM 0 HG1 THR B 26 -8.538 14.030 -8.136 1.00 22.04 H new ATOM 0 HG21 THR B 26 -6.884 15.552 -7.289 1.00 45.41 H new ATOM 0 HG22 THR B 26 -5.231 14.923 -7.092 1.00 45.41 H new ATOM 0 HG23 THR B 26 -5.884 15.213 -8.722 1.00 45.41 H new ATOM 1654 N GLN B 27 -6.319 10.476 -7.046 1.00 55.12 N ATOM 1655 CA GLN B 27 -6.734 9.074 -6.774 1.00 11.43 C ATOM 1656 C GLN B 27 -8.064 8.722 -7.502 1.00 10.15 C ATOM 1657 O GLN B 27 -8.120 7.746 -8.248 1.00 23.43 O ATOM 1658 CB GLN B 27 -6.874 8.886 -5.227 1.00 24.25 C ATOM 1659 CG GLN B 27 -6.828 7.436 -4.678 1.00 5.30 C ATOM 1660 CD GLN B 27 -7.987 6.527 -5.105 1.00 0.03 C ATOM 1661 OE1 GLN B 27 -7.918 5.818 -6.100 1.00 73.40 O ATOM 1662 NE2 GLN B 27 -9.062 6.555 -4.366 1.00 25.24 N ATOM 0 H GLN B 27 -6.122 11.007 -6.198 1.00 55.12 H new ATOM 0 HA GLN B 27 -5.975 8.393 -7.160 1.00 11.43 H new ATOM 0 HB2 GLN B 27 -6.078 9.454 -4.745 1.00 24.25 H new ATOM 0 HB3 GLN B 27 -7.818 9.334 -4.917 1.00 24.25 H new ATOM 0 HG2 GLN B 27 -5.893 6.976 -4.997 1.00 5.30 H new ATOM 0 HG3 GLN B 27 -6.807 7.480 -3.589 1.00 5.30 H new ATOM 0 HE21 GLN B 27 -9.098 7.153 -3.541 1.00 25.24 H new ATOM 0 HE22 GLN B 27 -9.866 5.979 -4.614 1.00 25.24 H new ATOM 1671 N LYS B 28 -9.098 9.577 -7.321 1.00 20.51 N ATOM 1672 CA LYS B 28 -10.455 9.365 -7.907 1.00 11.33 C ATOM 1673 C LYS B 28 -10.451 9.337 -9.458 1.00 4.42 C ATOM 1674 O LYS B 28 -11.250 8.621 -10.076 1.00 14.02 O ATOM 1675 CB LYS B 28 -11.430 10.459 -7.389 1.00 41.35 C ATOM 1676 CG LYS B 28 -11.758 10.356 -5.882 1.00 42.32 C ATOM 1677 CD LYS B 28 -12.574 9.083 -5.537 1.00 3.04 C ATOM 1678 CE LYS B 28 -12.810 8.913 -4.026 1.00 61.05 C ATOM 1679 NZ LYS B 28 -11.544 8.622 -3.300 1.00 45.23 N ATOM 0 H LYS B 28 -9.022 10.431 -6.768 1.00 20.51 H new ATOM 0 HA LYS B 28 -10.793 8.381 -7.581 1.00 11.33 H new ATOM 0 HB2 LYS B 28 -10.997 11.439 -7.589 1.00 41.35 H new ATOM 0 HB3 LYS B 28 -12.359 10.399 -7.956 1.00 41.35 H new ATOM 0 HG2 LYS B 28 -10.830 10.354 -5.311 1.00 42.32 H new ATOM 0 HG3 LYS B 28 -12.320 11.238 -5.575 1.00 42.32 H new ATOM 0 HD2 LYS B 28 -13.536 9.125 -6.047 1.00 3.04 H new ATOM 0 HD3 LYS B 28 -12.049 8.207 -5.918 1.00 3.04 H new ATOM 0 HE2 LYS B 28 -13.260 9.821 -3.624 1.00 61.05 H new ATOM 0 HE3 LYS B 28 -13.520 8.104 -3.858 1.00 61.05 H new ATOM 0 HZ1 LYS B 28 -11.735 8.564 -2.279 1.00 45.23 H new ATOM 0 HZ2 LYS B 28 -11.154 7.717 -3.631 1.00 45.23 H new ATOM 0 HZ3 LYS B 28 -10.857 9.382 -3.481 1.00 45.23 H new ATOM 1693 N GLN B 29 -9.543 10.110 -10.067 1.00 72.20 N ATOM 1694 CA GLN B 29 -9.392 10.176 -11.538 1.00 21.50 C ATOM 1695 C GLN B 29 -8.695 8.911 -12.100 1.00 14.15 C ATOM 1696 O GLN B 29 -9.091 8.386 -13.147 1.00 73.15 O ATOM 1697 CB GLN B 29 -8.598 11.450 -11.926 1.00 51.04 C ATOM 1698 CG GLN B 29 -9.267 12.778 -11.519 1.00 30.30 C ATOM 1699 CD GLN B 29 -10.605 13.042 -12.226 1.00 61.51 C ATOM 1700 OE1 GLN B 29 -10.827 12.634 -13.363 1.00 3.42 O ATOM 1701 NE2 GLN B 29 -11.503 13.740 -11.564 1.00 22.15 N ATOM 0 H GLN B 29 -8.890 10.709 -9.561 1.00 72.20 H new ATOM 0 HA GLN B 29 -10.388 10.221 -11.979 1.00 21.50 H new ATOM 0 HB2 GLN B 29 -7.611 11.400 -11.465 1.00 51.04 H new ATOM 0 HB3 GLN B 29 -8.446 11.452 -13.005 1.00 51.04 H new ATOM 0 HG2 GLN B 29 -9.431 12.776 -10.441 1.00 30.30 H new ATOM 0 HG3 GLN B 29 -8.584 13.599 -11.736 1.00 30.30 H new ATOM 0 HE21 GLN B 29 -11.299 14.070 -10.621 1.00 22.15 H new ATOM 0 HE22 GLN B 29 -12.403 13.951 -11.994 1.00 22.15 H new ATOM 1710 N ILE B 30 -7.661 8.434 -11.386 1.00 71.31 N ATOM 1711 CA ILE B 30 -6.850 7.270 -11.812 1.00 3.52 C ATOM 1712 C ILE B 30 -7.640 5.949 -11.675 1.00 60.24 C ATOM 1713 O ILE B 30 -7.645 5.135 -12.601 1.00 33.25 O ATOM 1714 CB ILE B 30 -5.519 7.173 -10.988 1.00 40.41 C ATOM 1715 CG1 ILE B 30 -4.728 8.516 -11.072 1.00 13.42 C ATOM 1716 CG2 ILE B 30 -4.642 5.983 -11.473 1.00 11.43 C ATOM 1717 CD1 ILE B 30 -3.589 8.646 -10.083 1.00 1.20 C ATOM 0 H ILE B 30 -7.361 8.840 -10.500 1.00 71.31 H new ATOM 0 HA ILE B 30 -6.605 7.423 -12.863 1.00 3.52 H new ATOM 0 HB ILE B 30 -5.779 6.989 -9.945 1.00 40.41 H new ATOM 0 HG12 ILE B 30 -4.329 8.624 -12.081 1.00 13.42 H new ATOM 0 HG13 ILE B 30 -5.423 9.341 -10.915 1.00 13.42 H new ATOM 0 HG21 ILE B 30 -3.726 5.942 -10.883 1.00 11.43 H new ATOM 0 HG22 ILE B 30 -5.194 5.051 -11.352 1.00 11.43 H new ATOM 0 HG23 ILE B 30 -4.390 6.121 -12.524 1.00 11.43 H new ATOM 0 HD11 ILE B 30 -3.099 9.611 -10.217 1.00 1.20 H new ATOM 0 HD12 ILE B 30 -3.979 8.575 -9.068 1.00 1.20 H new ATOM 0 HD13 ILE B 30 -2.868 7.846 -10.252 1.00 1.20 H new ATOM 1729 N LYS B 31 -8.304 5.743 -10.513 1.00 13.10 N ATOM 1730 CA LYS B 31 -9.130 4.530 -10.268 1.00 63.10 C ATOM 1731 C LYS B 31 -10.312 4.428 -11.270 1.00 4.23 C ATOM 1732 O LYS B 31 -10.768 3.332 -11.586 1.00 24.34 O ATOM 1733 CB LYS B 31 -9.669 4.481 -8.808 1.00 1.50 C ATOM 1734 CG LYS B 31 -10.620 5.643 -8.435 1.00 63.21 C ATOM 1735 CD LYS B 31 -11.370 5.433 -7.098 1.00 54.41 C ATOM 1736 CE LYS B 31 -12.349 4.240 -7.145 1.00 70.43 C ATOM 1737 NZ LYS B 31 -13.243 4.213 -5.971 1.00 32.21 N ATOM 0 H LYS B 31 -8.286 6.397 -9.731 1.00 13.10 H new ATOM 0 HA LYS B 31 -8.472 3.674 -10.420 1.00 63.10 H new ATOM 0 HB2 LYS B 31 -10.194 3.537 -8.659 1.00 1.50 H new ATOM 0 HB3 LYS B 31 -8.822 4.487 -8.121 1.00 1.50 H new ATOM 0 HG2 LYS B 31 -10.044 6.567 -8.376 1.00 63.21 H new ATOM 0 HG3 LYS B 31 -11.350 5.773 -9.234 1.00 63.21 H new ATOM 0 HD2 LYS B 31 -10.645 5.271 -6.301 1.00 54.41 H new ATOM 0 HD3 LYS B 31 -11.921 6.340 -6.849 1.00 54.41 H new ATOM 0 HE2 LYS B 31 -12.947 4.297 -8.055 1.00 70.43 H new ATOM 0 HE3 LYS B 31 -11.784 3.309 -7.192 1.00 70.43 H new ATOM 0 HZ1 LYS B 31 -13.058 3.355 -5.413 1.00 32.21 H new ATOM 0 HZ2 LYS B 31 -13.069 5.053 -5.383 1.00 32.21 H new ATOM 0 HZ3 LYS B 31 -14.233 4.212 -6.289 1.00 32.21 H new ATOM 1751 N LYS B 32 -10.809 5.593 -11.748 1.00 43.24 N ATOM 1752 CA LYS B 32 -11.851 5.658 -12.799 1.00 43.24 C ATOM 1753 C LYS B 32 -11.247 5.220 -14.162 1.00 5.15 C ATOM 1754 O LYS B 32 -11.811 4.364 -14.856 1.00 32.10 O ATOM 1755 CB LYS B 32 -12.459 7.106 -12.865 1.00 42.12 C ATOM 1756 CG LYS B 32 -13.823 7.244 -13.615 1.00 14.53 C ATOM 1757 CD LYS B 32 -13.714 7.159 -15.166 1.00 31.12 C ATOM 1758 CE LYS B 32 -15.081 7.162 -15.868 1.00 20.41 C ATOM 1759 NZ LYS B 32 -15.835 8.410 -15.612 1.00 1.42 N ATOM 0 H LYS B 32 -10.501 6.508 -11.419 1.00 43.24 H new ATOM 0 HA LYS B 32 -12.663 4.972 -12.558 1.00 43.24 H new ATOM 0 HB2 LYS B 32 -12.589 7.471 -11.846 1.00 42.12 H new ATOM 0 HB3 LYS B 32 -11.734 7.761 -13.348 1.00 42.12 H new ATOM 0 HG2 LYS B 32 -14.497 6.461 -13.267 1.00 14.53 H new ATOM 0 HG3 LYS B 32 -14.277 8.198 -13.346 1.00 14.53 H new ATOM 0 HD2 LYS B 32 -13.124 8.000 -15.529 1.00 31.12 H new ATOM 0 HD3 LYS B 32 -13.175 6.251 -15.437 1.00 31.12 H new ATOM 0 HE2 LYS B 32 -14.937 7.039 -16.941 1.00 20.41 H new ATOM 0 HE3 LYS B 32 -15.666 6.309 -15.525 1.00 20.41 H new ATOM 0 HZ1 LYS B 32 -16.743 8.377 -16.118 1.00 1.42 H new ATOM 0 HZ2 LYS B 32 -16.010 8.507 -14.591 1.00 1.42 H new ATOM 0 HZ3 LYS B 32 -15.282 9.225 -15.947 1.00 1.42 H new ATOM 1773 N ALA B 33 -10.087 5.821 -14.513 1.00 24.24 N ATOM 1774 CA ALA B 33 -9.381 5.572 -15.799 1.00 73.13 C ATOM 1775 C ALA B 33 -8.999 4.079 -15.984 1.00 73.13 C ATOM 1776 O ALA B 33 -9.210 3.495 -17.049 1.00 73.04 O ATOM 1777 CB ALA B 33 -8.124 6.461 -15.883 1.00 33.45 C ATOM 0 H ALA B 33 -9.610 6.494 -13.914 1.00 24.24 H new ATOM 0 HA ALA B 33 -10.067 5.827 -16.607 1.00 73.13 H new ATOM 0 HB1 ALA B 33 -7.610 6.276 -16.826 1.00 33.45 H new ATOM 0 HB2 ALA B 33 -8.416 7.510 -15.829 1.00 33.45 H new ATOM 0 HB3 ALA B 33 -7.457 6.227 -15.054 1.00 33.45 H new ATOM 1783 N THR B 34 -8.464 3.479 -14.911 1.00 65.24 N ATOM 1784 CA THR B 34 -8.028 2.060 -14.880 1.00 50.22 C ATOM 1785 C THR B 34 -9.196 1.104 -14.519 1.00 64.14 C ATOM 1786 O THR B 34 -9.046 -0.126 -14.598 1.00 52.13 O ATOM 1787 CB THR B 34 -6.868 1.879 -13.849 1.00 4.41 C ATOM 1788 OG1 THR B 34 -7.311 2.308 -12.555 1.00 25.01 O ATOM 1789 CG2 THR B 34 -5.617 2.686 -14.241 1.00 32.42 C ATOM 0 H THR B 34 -8.317 3.964 -14.026 1.00 65.24 H new ATOM 0 HA THR B 34 -7.679 1.803 -15.880 1.00 50.22 H new ATOM 0 HB THR B 34 -6.599 0.823 -13.836 1.00 4.41 H new ATOM 0 HG1 THR B 34 -7.322 3.287 -12.521 1.00 25.01 H new ATOM 0 HG21 THR B 34 -4.836 2.531 -13.497 1.00 32.42 H new ATOM 0 HG22 THR B 34 -5.260 2.354 -15.216 1.00 32.42 H new ATOM 0 HG23 THR B 34 -5.868 3.746 -14.288 1.00 32.42 H new ATOM 1797 N LYS B 35 -10.352 1.700 -14.129 1.00 51.45 N ATOM 1798 CA LYS B 35 -11.610 0.984 -13.791 1.00 62.14 C ATOM 1799 C LYS B 35 -11.446 0.042 -12.560 1.00 1.04 C ATOM 1800 O LYS B 35 -12.025 -1.051 -12.510 1.00 40.21 O ATOM 1801 CB LYS B 35 -12.182 0.241 -15.039 1.00 22.53 C ATOM 1802 CG LYS B 35 -12.495 1.167 -16.242 1.00 65.24 C ATOM 1803 CD LYS B 35 -13.173 0.436 -17.436 1.00 60.11 C ATOM 1804 CE LYS B 35 -14.675 0.112 -17.207 1.00 15.22 C ATOM 1805 NZ LYS B 35 -14.914 -0.894 -16.134 1.00 55.54 N ATOM 0 H LYS B 35 -10.438 2.712 -14.039 1.00 51.45 H new ATOM 0 HA LYS B 35 -12.343 1.734 -13.494 1.00 62.14 H new ATOM 0 HB2 LYS B 35 -11.466 -0.518 -15.356 1.00 22.53 H new ATOM 0 HB3 LYS B 35 -13.094 -0.282 -14.750 1.00 22.53 H new ATOM 0 HG2 LYS B 35 -13.144 1.976 -15.907 1.00 65.24 H new ATOM 0 HG3 LYS B 35 -11.568 1.625 -16.587 1.00 65.24 H new ATOM 0 HD2 LYS B 35 -13.077 1.054 -18.329 1.00 60.11 H new ATOM 0 HD3 LYS B 35 -12.637 -0.493 -17.632 1.00 60.11 H new ATOM 0 HE2 LYS B 35 -15.202 1.032 -16.954 1.00 15.22 H new ATOM 0 HE3 LYS B 35 -15.105 -0.255 -18.139 1.00 15.22 H new ATOM 0 HZ1 LYS B 35 -15.797 -1.407 -16.330 1.00 55.54 H new ATOM 0 HZ2 LYS B 35 -14.122 -1.567 -16.106 1.00 55.54 H new ATOM 0 HZ3 LYS B 35 -14.990 -0.411 -15.216 1.00 55.54 H new ATOM 1819 N LEU B 36 -10.659 0.507 -11.563 1.00 24.01 N ATOM 1820 CA LEU B 36 -10.490 -0.186 -10.264 1.00 31.24 C ATOM 1821 C LEU B 36 -11.832 -0.221 -9.491 1.00 44.10 C ATOM 1822 O LEU B 36 -12.466 0.825 -9.293 1.00 74.43 O ATOM 1823 CB LEU B 36 -9.392 0.513 -9.412 1.00 61.21 C ATOM 1824 CG LEU B 36 -7.967 0.580 -10.052 1.00 23.31 C ATOM 1825 CD1 LEU B 36 -6.966 1.326 -9.141 1.00 12.33 C ATOM 1826 CD2 LEU B 36 -7.445 -0.827 -10.446 1.00 31.54 C ATOM 0 H LEU B 36 -10.124 1.372 -11.636 1.00 24.01 H new ATOM 0 HA LEU B 36 -10.175 -1.211 -10.459 1.00 31.24 H new ATOM 0 HB2 LEU B 36 -9.720 1.530 -9.196 1.00 61.21 H new ATOM 0 HB3 LEU B 36 -9.316 -0.007 -8.457 1.00 61.21 H new ATOM 0 HG LEU B 36 -8.057 1.157 -10.972 1.00 23.31 H new ATOM 0 HD11 LEU B 36 -5.987 1.352 -9.620 1.00 12.33 H new ATOM 0 HD12 LEU B 36 -7.315 2.345 -8.974 1.00 12.33 H new ATOM 0 HD13 LEU B 36 -6.888 0.808 -8.185 1.00 12.33 H new ATOM 0 HD21 LEU B 36 -6.452 -0.736 -10.887 1.00 31.54 H new ATOM 0 HD22 LEU B 36 -7.392 -1.457 -9.558 1.00 31.54 H new ATOM 0 HD23 LEU B 36 -8.124 -1.277 -11.170 1.00 31.54 H new ATOM 1838 N LYS B 37 -12.247 -1.431 -9.053 1.00 35.53 N ATOM 1839 CA LYS B 37 -13.578 -1.664 -8.438 1.00 61.11 C ATOM 1840 C LYS B 37 -13.730 -0.962 -7.058 1.00 4.41 C ATOM 1841 O LYS B 37 -14.849 -0.687 -6.609 1.00 24.03 O ATOM 1842 CB LYS B 37 -13.854 -3.202 -8.360 1.00 53.31 C ATOM 1843 CG LYS B 37 -12.830 -4.064 -7.550 1.00 11.11 C ATOM 1844 CD LYS B 37 -13.180 -4.200 -6.042 1.00 42.41 C ATOM 1845 CE LYS B 37 -12.235 -5.151 -5.288 1.00 73.51 C ATOM 1846 NZ LYS B 37 -10.840 -4.658 -5.257 1.00 53.42 N ATOM 0 H LYS B 37 -11.673 -2.272 -9.114 1.00 35.53 H new ATOM 0 HA LYS B 37 -14.336 -1.207 -9.074 1.00 61.11 H new ATOM 0 HB2 LYS B 37 -14.842 -3.348 -7.922 1.00 53.31 H new ATOM 0 HB3 LYS B 37 -13.896 -3.591 -9.377 1.00 53.31 H new ATOM 0 HG2 LYS B 37 -12.777 -5.059 -7.992 1.00 11.11 H new ATOM 0 HG3 LYS B 37 -11.839 -3.619 -7.645 1.00 11.11 H new ATOM 0 HD2 LYS B 37 -13.143 -3.215 -5.576 1.00 42.41 H new ATOM 0 HD3 LYS B 37 -14.204 -4.561 -5.944 1.00 42.41 H new ATOM 0 HE2 LYS B 37 -12.594 -5.280 -4.267 1.00 73.51 H new ATOM 0 HE3 LYS B 37 -12.259 -6.133 -5.761 1.00 73.51 H new ATOM 0 HZ1 LYS B 37 -10.364 -5.018 -4.405 1.00 53.42 H new ATOM 0 HZ2 LYS B 37 -10.335 -4.991 -6.103 1.00 53.42 H new ATOM 0 HZ3 LYS B 37 -10.840 -3.618 -5.241 1.00 53.42 H new ATOM 1860 N ALA B 38 -12.593 -0.681 -6.404 1.00 32.21 N ATOM 1861 CA ALA B 38 -12.530 0.089 -5.141 1.00 20.44 C ATOM 1862 C ALA B 38 -11.327 1.051 -5.144 1.00 25.54 C ATOM 1863 O ALA B 38 -10.485 1.031 -6.051 1.00 24.42 O ATOM 1864 CB ALA B 38 -12.455 -0.865 -3.926 1.00 23.04 C ATOM 0 H ALA B 38 -11.677 -0.983 -6.737 1.00 32.21 H new ATOM 0 HA ALA B 38 -13.441 0.682 -5.061 1.00 20.44 H new ATOM 0 HB1 ALA B 38 -12.409 -0.281 -3.007 1.00 23.04 H new ATOM 0 HB2 ALA B 38 -13.340 -1.501 -3.908 1.00 23.04 H new ATOM 0 HB3 ALA B 38 -11.563 -1.486 -4.006 1.00 23.04 H new ATOM 1870 N ASP B 39 -11.268 1.901 -4.111 1.00 1.52 N ATOM 1871 CA ASP B 39 -10.096 2.754 -3.813 1.00 14.04 C ATOM 1872 C ASP B 39 -8.913 1.885 -3.320 1.00 31.22 C ATOM 1873 O ASP B 39 -7.745 2.228 -3.516 1.00 13.15 O ATOM 1874 CB ASP B 39 -10.481 3.797 -2.731 1.00 52.43 C ATOM 1875 CG ASP B 39 -11.749 4.587 -3.090 1.00 21.35 C ATOM 1876 OD1 ASP B 39 -12.864 4.053 -2.905 1.00 65.24 O ATOM 1877 OD2 ASP B 39 -11.648 5.717 -3.598 1.00 42.42 O ATOM 0 H ASP B 39 -12.035 2.022 -3.450 1.00 1.52 H new ATOM 0 HA ASP B 39 -9.788 3.273 -4.721 1.00 14.04 H new ATOM 0 HB2 ASP B 39 -10.633 3.287 -1.780 1.00 52.43 H new ATOM 0 HB3 ASP B 39 -9.653 4.492 -2.592 1.00 52.43 H new ATOM 1882 N LYS B 40 -9.260 0.748 -2.688 1.00 70.42 N ATOM 1883 CA LYS B 40 -8.302 -0.180 -2.046 1.00 64.44 C ATOM 1884 C LYS B 40 -7.320 -0.830 -3.056 1.00 35.12 C ATOM 1885 O LYS B 40 -6.176 -1.133 -2.698 1.00 65.32 O ATOM 1886 CB LYS B 40 -9.085 -1.257 -1.247 1.00 4.15 C ATOM 1887 CG LYS B 40 -10.110 -0.655 -0.247 1.00 64.12 C ATOM 1888 CD LYS B 40 -10.777 -1.701 0.674 1.00 55.21 C ATOM 1889 CE LYS B 40 -9.765 -2.430 1.582 1.00 22.21 C ATOM 1890 NZ LYS B 40 -10.421 -3.324 2.569 1.00 21.43 N ATOM 0 H LYS B 40 -10.229 0.441 -2.606 1.00 70.42 H new ATOM 0 HA LYS B 40 -7.682 0.401 -1.364 1.00 64.44 H new ATOM 0 HB2 LYS B 40 -9.609 -1.908 -1.946 1.00 4.15 H new ATOM 0 HB3 LYS B 40 -8.377 -1.880 -0.700 1.00 4.15 H new ATOM 0 HG2 LYS B 40 -9.606 0.089 0.370 1.00 64.12 H new ATOM 0 HG3 LYS B 40 -10.885 -0.132 -0.807 1.00 64.12 H new ATOM 0 HD2 LYS B 40 -11.525 -1.208 1.294 1.00 55.21 H new ATOM 0 HD3 LYS B 40 -11.303 -2.434 0.062 1.00 55.21 H new ATOM 0 HE2 LYS B 40 -9.084 -3.015 0.964 1.00 22.21 H new ATOM 0 HE3 LYS B 40 -9.161 -1.693 2.111 1.00 22.21 H new ATOM 0 HZ1 LYS B 40 -9.696 -3.788 3.153 1.00 21.43 H new ATOM 0 HZ2 LYS B 40 -11.051 -2.765 3.179 1.00 21.43 H new ATOM 0 HZ3 LYS B 40 -10.977 -4.046 2.068 1.00 21.43 H new ATOM 1904 N ASP B 41 -7.776 -1.011 -4.316 1.00 34.54 N ATOM 1905 CA ASP B 41 -6.926 -1.499 -5.435 1.00 40.21 C ATOM 1906 C ASP B 41 -5.739 -0.536 -5.678 1.00 4.23 C ATOM 1907 O ASP B 41 -4.595 -0.963 -5.899 1.00 45.43 O ATOM 1908 CB ASP B 41 -7.753 -1.597 -6.742 1.00 55.22 C ATOM 1909 CG ASP B 41 -8.998 -2.485 -6.629 1.00 23.40 C ATOM 1910 OD1 ASP B 41 -9.980 -2.063 -5.985 1.00 53.11 O ATOM 1911 OD2 ASP B 41 -9.015 -3.604 -7.188 1.00 12.32 O ATOM 0 H ASP B 41 -8.741 -0.824 -4.589 1.00 34.54 H new ATOM 0 HA ASP B 41 -6.550 -2.484 -5.159 1.00 40.21 H new ATOM 0 HB2 ASP B 41 -8.060 -0.595 -7.041 1.00 55.22 H new ATOM 0 HB3 ASP B 41 -7.114 -1.984 -7.536 1.00 55.22 H new ATOM 1916 N PHE B 42 -6.048 0.773 -5.605 1.00 45.52 N ATOM 1917 CA PHE B 42 -5.078 1.853 -5.841 1.00 14.24 C ATOM 1918 C PHE B 42 -3.962 1.860 -4.780 1.00 1.24 C ATOM 1919 O PHE B 42 -2.803 2.026 -5.121 1.00 44.32 O ATOM 1920 CB PHE B 42 -5.795 3.227 -5.866 1.00 3.14 C ATOM 1921 CG PHE B 42 -4.882 4.417 -6.183 1.00 5.34 C ATOM 1922 CD1 PHE B 42 -4.664 4.816 -7.500 1.00 50.31 C ATOM 1923 CD2 PHE B 42 -4.224 5.125 -5.167 1.00 4.14 C ATOM 1924 CE1 PHE B 42 -3.847 5.888 -7.784 1.00 21.50 C ATOM 1925 CE2 PHE B 42 -3.412 6.201 -5.462 1.00 71.44 C ATOM 1926 CZ PHE B 42 -3.213 6.573 -6.769 1.00 60.10 C ATOM 0 H PHE B 42 -6.984 1.110 -5.379 1.00 45.52 H new ATOM 0 HA PHE B 42 -4.615 1.671 -6.811 1.00 14.24 H new ATOM 0 HB2 PHE B 42 -6.594 3.192 -6.606 1.00 3.14 H new ATOM 0 HB3 PHE B 42 -6.265 3.395 -4.897 1.00 3.14 H new ATOM 0 HD1 PHE B 42 -5.141 4.279 -8.307 1.00 50.31 H new ATOM 0 HD2 PHE B 42 -4.355 4.824 -4.138 1.00 4.14 H new ATOM 0 HE1 PHE B 42 -3.702 6.194 -8.809 1.00 21.50 H new ATOM 0 HE2 PHE B 42 -2.933 6.751 -4.665 1.00 71.44 H new ATOM 0 HZ PHE B 42 -2.560 7.401 -7.002 1.00 60.10 H new ATOM 1936 N PHE B 43 -4.331 1.689 -3.497 1.00 25.41 N ATOM 1937 CA PHE B 43 -3.381 1.818 -2.356 1.00 53.35 C ATOM 1938 C PHE B 43 -2.298 0.705 -2.362 1.00 72.42 C ATOM 1939 O PHE B 43 -1.151 0.947 -1.967 1.00 74.41 O ATOM 1940 CB PHE B 43 -4.161 1.836 -1.011 1.00 53.01 C ATOM 1941 CG PHE B 43 -5.223 2.942 -0.931 1.00 15.23 C ATOM 1942 CD1 PHE B 43 -4.890 4.276 -1.188 1.00 61.31 C ATOM 1943 CD2 PHE B 43 -6.548 2.651 -0.613 1.00 44.20 C ATOM 1944 CE1 PHE B 43 -5.850 5.272 -1.127 1.00 12.44 C ATOM 1945 CE2 PHE B 43 -7.503 3.646 -0.551 1.00 73.31 C ATOM 1946 CZ PHE B 43 -7.155 4.956 -0.813 1.00 71.24 C ATOM 0 H PHE B 43 -5.284 1.460 -3.215 1.00 25.41 H new ATOM 0 HA PHE B 43 -2.853 2.765 -2.470 1.00 53.35 H new ATOM 0 HB2 PHE B 43 -4.644 0.869 -0.868 1.00 53.01 H new ATOM 0 HB3 PHE B 43 -3.453 1.963 -0.192 1.00 53.01 H new ATOM 0 HD1 PHE B 43 -3.871 4.532 -1.437 1.00 61.31 H new ATOM 0 HD2 PHE B 43 -6.833 1.629 -0.411 1.00 44.20 H new ATOM 0 HE1 PHE B 43 -5.576 6.298 -1.326 1.00 12.44 H new ATOM 0 HE2 PHE B 43 -8.523 3.399 -0.297 1.00 73.31 H new ATOM 0 HZ PHE B 43 -7.904 5.733 -0.772 1.00 71.24 H new ATOM 1956 N LEU B 44 -2.680 -0.502 -2.828 1.00 74.23 N ATOM 1957 CA LEU B 44 -1.745 -1.645 -2.995 1.00 75.41 C ATOM 1958 C LEU B 44 -0.775 -1.412 -4.188 1.00 13.13 C ATOM 1959 O LEU B 44 0.432 -1.671 -4.074 1.00 33.33 O ATOM 1960 CB LEU B 44 -2.541 -2.980 -3.173 1.00 15.23 C ATOM 1961 CG LEU B 44 -3.055 -3.672 -1.855 1.00 2.32 C ATOM 1962 CD1 LEU B 44 -3.951 -2.743 -0.996 1.00 3.12 C ATOM 1963 CD2 LEU B 44 -3.771 -5.010 -2.174 1.00 14.14 C ATOM 0 H LEU B 44 -3.640 -0.716 -3.099 1.00 74.23 H new ATOM 0 HA LEU B 44 -1.140 -1.722 -2.091 1.00 75.41 H new ATOM 0 HB2 LEU B 44 -3.401 -2.782 -3.812 1.00 15.23 H new ATOM 0 HB3 LEU B 44 -1.905 -3.688 -3.705 1.00 15.23 H new ATOM 0 HG LEU B 44 -2.174 -3.889 -1.251 1.00 2.32 H new ATOM 0 HD11 LEU B 44 -4.275 -3.275 -0.101 1.00 3.12 H new ATOM 0 HD12 LEU B 44 -3.385 -1.857 -0.707 1.00 3.12 H new ATOM 0 HD13 LEU B 44 -4.824 -2.442 -1.575 1.00 3.12 H new ATOM 0 HD21 LEU B 44 -4.116 -5.468 -1.247 1.00 14.14 H new ATOM 0 HD22 LEU B 44 -4.624 -4.820 -2.825 1.00 14.14 H new ATOM 0 HD23 LEU B 44 -3.076 -5.684 -2.675 1.00 14.14 H new ATOM 1975 N GLY B 45 -1.322 -0.912 -5.317 1.00 53.32 N ATOM 1976 CA GLY B 45 -0.509 -0.575 -6.502 1.00 45.22 C ATOM 1977 C GLY B 45 0.453 0.600 -6.262 1.00 61.12 C ATOM 1978 O GLY B 45 1.621 0.538 -6.638 1.00 74.35 O ATOM 0 H GLY B 45 -2.320 -0.734 -5.431 1.00 53.32 H new ATOM 0 HA2 GLY B 45 0.066 -1.451 -6.801 1.00 45.22 H new ATOM 0 HA3 GLY B 45 -1.172 -0.330 -7.332 1.00 45.22 H new ATOM 1982 N LEU B 46 -0.051 1.645 -5.574 1.00 0.20 N ATOM 1983 CA LEU B 46 0.708 2.886 -5.260 1.00 32.13 C ATOM 1984 C LEU B 46 1.903 2.591 -4.324 1.00 54.52 C ATOM 1985 O LEU B 46 2.953 3.226 -4.420 1.00 31.54 O ATOM 1986 CB LEU B 46 -0.219 3.942 -4.590 1.00 43.21 C ATOM 1987 CG LEU B 46 0.452 5.316 -4.236 1.00 74.11 C ATOM 1988 CD1 LEU B 46 0.887 6.074 -5.510 1.00 23.34 C ATOM 1989 CD2 LEU B 46 -0.458 6.182 -3.329 1.00 1.21 C ATOM 0 H LEU B 46 -1.005 1.657 -5.215 1.00 0.20 H new ATOM 0 HA LEU B 46 1.088 3.282 -6.202 1.00 32.13 H new ATOM 0 HB2 LEU B 46 -1.062 4.132 -5.255 1.00 43.21 H new ATOM 0 HB3 LEU B 46 -0.626 3.512 -3.675 1.00 43.21 H new ATOM 0 HG LEU B 46 1.355 5.102 -3.664 1.00 74.11 H new ATOM 0 HD11 LEU B 46 1.348 7.021 -5.230 1.00 23.34 H new ATOM 0 HD12 LEU B 46 1.605 5.471 -6.065 1.00 23.34 H new ATOM 0 HD13 LEU B 46 0.015 6.266 -6.135 1.00 23.34 H new ATOM 0 HD21 LEU B 46 0.042 7.125 -3.106 1.00 1.21 H new ATOM 0 HD22 LEU B 46 -1.399 6.382 -3.842 1.00 1.21 H new ATOM 0 HD23 LEU B 46 -0.658 5.649 -2.400 1.00 1.21 H new ATOM 2001 N GLY B 47 1.715 1.606 -3.432 1.00 0.33 N ATOM 2002 CA GLY B 47 2.773 1.154 -2.514 1.00 44.04 C ATOM 2003 C GLY B 47 3.981 0.579 -3.256 1.00 41.01 C ATOM 2004 O GLY B 47 5.136 0.738 -2.828 1.00 51.40 O ATOM 0 H GLY B 47 0.833 1.104 -3.327 1.00 0.33 H new ATOM 0 HA2 GLY B 47 3.095 1.991 -1.894 1.00 44.04 H new ATOM 0 HA3 GLY B 47 2.369 0.397 -1.842 1.00 44.04 H new ATOM 2008 N TRP B 48 3.703 -0.081 -4.401 1.00 30.43 N ATOM 2009 CA TRP B 48 4.745 -0.621 -5.289 1.00 54.23 C ATOM 2010 C TRP B 48 5.397 0.515 -6.135 1.00 14.52 C ATOM 2011 O TRP B 48 6.593 0.479 -6.425 1.00 4.55 O ATOM 2012 CB TRP B 48 4.167 -1.738 -6.200 1.00 24.33 C ATOM 2013 CG TRP B 48 5.243 -2.635 -6.759 1.00 71.33 C ATOM 2014 CD1 TRP B 48 5.971 -2.459 -7.901 1.00 52.42 C ATOM 2015 CD2 TRP B 48 5.732 -3.837 -6.157 1.00 13.24 C ATOM 2016 NE1 TRP B 48 6.893 -3.463 -8.028 1.00 34.33 N ATOM 2017 CE2 TRP B 48 6.758 -4.326 -6.977 1.00 53.33 C ATOM 2018 CE3 TRP B 48 5.401 -4.542 -4.995 1.00 31.45 C ATOM 2019 CZ2 TRP B 48 7.457 -5.487 -6.682 1.00 42.33 C ATOM 2020 CZ3 TRP B 48 6.093 -5.699 -4.701 1.00 64.11 C ATOM 2021 CH2 TRP B 48 7.114 -6.160 -5.541 1.00 13.44 C ATOM 0 H TRP B 48 2.753 -0.252 -4.731 1.00 30.43 H new ATOM 0 HA TRP B 48 5.525 -1.064 -4.670 1.00 54.23 H new ATOM 0 HB2 TRP B 48 3.457 -2.338 -5.630 1.00 24.33 H new ATOM 0 HB3 TRP B 48 3.613 -1.283 -7.021 1.00 24.33 H new ATOM 0 HD1 TRP B 48 5.839 -1.647 -8.601 1.00 52.42 H new ATOM 0 HE1 TRP B 48 7.571 -3.552 -8.785 1.00 34.33 H new ATOM 0 HE3 TRP B 48 4.619 -4.187 -4.340 1.00 31.45 H new ATOM 0 HZ2 TRP B 48 8.243 -5.847 -7.329 1.00 42.33 H new ATOM 0 HZ3 TRP B 48 5.844 -6.257 -3.810 1.00 64.11 H new ATOM 0 HH2 TRP B 48 7.642 -7.066 -5.283 1.00 13.44 H new ATOM 2032 N LEU B 49 4.588 1.521 -6.518 1.00 74.04 N ATOM 2033 CA LEU B 49 5.078 2.763 -7.184 1.00 51.52 C ATOM 2034 C LEU B 49 6.154 3.488 -6.331 1.00 14.21 C ATOM 2035 O LEU B 49 7.149 4.000 -6.864 1.00 52.32 O ATOM 2036 CB LEU B 49 3.876 3.725 -7.475 1.00 73.03 C ATOM 2037 CG LEU B 49 3.156 3.573 -8.852 1.00 54.33 C ATOM 2038 CD1 LEU B 49 2.746 2.136 -9.107 1.00 1.14 C ATOM 2039 CD2 LEU B 49 1.933 4.515 -8.952 1.00 1.53 C ATOM 0 H LEU B 49 3.578 1.505 -6.379 1.00 74.04 H new ATOM 0 HA LEU B 49 5.546 2.474 -8.125 1.00 51.52 H new ATOM 0 HB2 LEU B 49 3.134 3.585 -6.689 1.00 73.03 H new ATOM 0 HB3 LEU B 49 4.237 4.750 -7.394 1.00 73.03 H new ATOM 0 HG LEU B 49 3.870 3.860 -9.624 1.00 54.33 H new ATOM 0 HD11 LEU B 49 2.248 2.066 -10.074 1.00 1.14 H new ATOM 0 HD12 LEU B 49 3.631 1.500 -9.108 1.00 1.14 H new ATOM 0 HD13 LEU B 49 2.064 1.808 -8.323 1.00 1.14 H new ATOM 0 HD21 LEU B 49 1.453 4.386 -9.922 1.00 1.53 H new ATOM 0 HD22 LEU B 49 1.223 4.275 -8.161 1.00 1.53 H new ATOM 0 HD23 LEU B 49 2.260 5.549 -8.844 1.00 1.53 H new ATOM 2051 N LEU B 50 5.915 3.520 -5.006 1.00 15.12 N ATOM 2052 CA LEU B 50 6.823 4.143 -4.023 1.00 24.25 C ATOM 2053 C LEU B 50 8.163 3.380 -3.889 1.00 60.34 C ATOM 2054 O LEU B 50 9.224 4.008 -3.819 1.00 72.43 O ATOM 2055 CB LEU B 50 6.118 4.257 -2.642 1.00 31.43 C ATOM 2056 CG LEU B 50 4.866 5.194 -2.594 1.00 72.11 C ATOM 2057 CD1 LEU B 50 4.224 5.209 -1.186 1.00 3.32 C ATOM 2058 CD2 LEU B 50 5.217 6.624 -3.083 1.00 2.32 C ATOM 0 H LEU B 50 5.081 3.112 -4.584 1.00 15.12 H new ATOM 0 HA LEU B 50 7.064 5.141 -4.389 1.00 24.25 H new ATOM 0 HB2 LEU B 50 5.814 3.259 -2.327 1.00 31.43 H new ATOM 0 HB3 LEU B 50 6.845 4.615 -1.912 1.00 31.43 H new ATOM 0 HG LEU B 50 4.122 4.790 -3.280 1.00 72.11 H new ATOM 0 HD11 LEU B 50 3.357 5.870 -1.188 1.00 3.32 H new ATOM 0 HD12 LEU B 50 3.910 4.200 -0.918 1.00 3.32 H new ATOM 0 HD13 LEU B 50 4.952 5.568 -0.458 1.00 3.32 H new ATOM 0 HD21 LEU B 50 4.327 7.252 -3.038 1.00 2.32 H new ATOM 0 HD22 LEU B 50 5.992 7.047 -2.444 1.00 2.32 H new ATOM 0 HD23 LEU B 50 5.578 6.579 -4.110 1.00 2.32 H new ATOM 2070 N ARG B 51 8.111 2.025 -3.856 1.00 43.35 N ATOM 2071 CA ARG B 51 9.338 1.191 -3.727 1.00 53.15 C ATOM 2072 C ARG B 51 10.161 1.156 -5.037 1.00 23.33 C ATOM 2073 O ARG B 51 11.336 0.782 -5.032 1.00 32.34 O ATOM 2074 CB ARG B 51 8.987 -0.249 -3.220 1.00 23.01 C ATOM 2075 CG ARG B 51 8.159 -1.182 -4.165 1.00 32.31 C ATOM 2076 CD ARG B 51 9.004 -1.988 -5.180 1.00 63.25 C ATOM 2077 NE ARG B 51 9.890 -2.974 -4.530 1.00 72.25 N ATOM 2078 CZ ARG B 51 11.214 -2.950 -4.540 1.00 52.11 C ATOM 2079 NH1 ARG B 51 11.873 -2.051 -5.206 1.00 13.11 N ATOM 2080 NH2 ARG B 51 11.870 -3.848 -3.892 1.00 45.41 N ATOM 0 H ARG B 51 7.245 1.489 -3.916 1.00 43.35 H new ATOM 0 HA ARG B 51 9.974 1.661 -2.977 1.00 53.15 H new ATOM 0 HB2 ARG B 51 9.922 -0.757 -2.986 1.00 23.01 H new ATOM 0 HB3 ARG B 51 8.436 -0.148 -2.285 1.00 23.01 H new ATOM 0 HG2 ARG B 51 7.587 -1.880 -3.554 1.00 32.31 H new ATOM 0 HG3 ARG B 51 7.439 -0.574 -4.713 1.00 32.31 H new ATOM 0 HD2 ARG B 51 8.338 -2.505 -5.871 1.00 63.25 H new ATOM 0 HD3 ARG B 51 9.607 -1.299 -5.772 1.00 63.25 H new ATOM 0 HE ARG B 51 9.443 -3.742 -4.029 1.00 72.25 H new ATOM 0 HH11 ARG B 51 11.371 -1.341 -5.738 1.00 13.11 H new ATOM 0 HH12 ARG B 51 12.893 -2.055 -5.197 1.00 13.11 H new ATOM 0 HH21 ARG B 51 11.370 -4.572 -3.376 1.00 45.41 H new ATOM 0 HH22 ARG B 51 12.890 -3.836 -3.895 1.00 45.41 H new ATOM 2094 N GLU B 52 9.525 1.507 -6.165 1.00 33.02 N ATOM 2095 CA GLU B 52 10.217 1.640 -7.461 1.00 34.42 C ATOM 2096 C GLU B 52 10.705 3.081 -7.699 1.00 42.31 C ATOM 2097 O GLU B 52 11.511 3.311 -8.612 1.00 63.22 O ATOM 2098 CB GLU B 52 9.283 1.192 -8.608 1.00 45.34 C ATOM 2099 CG GLU B 52 8.905 -0.306 -8.595 1.00 13.51 C ATOM 2100 CD GLU B 52 10.101 -1.239 -8.857 1.00 55.41 C ATOM 2101 OE1 GLU B 52 10.821 -1.600 -7.898 1.00 3.23 O ATOM 2102 OE2 GLU B 52 10.342 -1.601 -10.025 1.00 21.05 O ATOM 0 H GLU B 52 8.525 1.706 -6.208 1.00 33.02 H new ATOM 0 HA GLU B 52 11.095 0.995 -7.440 1.00 34.42 H new ATOM 0 HB2 GLU B 52 8.368 1.783 -8.563 1.00 45.34 H new ATOM 0 HB3 GLU B 52 9.764 1.422 -9.559 1.00 45.34 H new ATOM 0 HG2 GLU B 52 8.465 -0.554 -7.629 1.00 13.51 H new ATOM 0 HG3 GLU B 52 8.140 -0.487 -9.350 1.00 13.51 H new ATOM 2109 N ASP B 53 10.173 4.047 -6.903 1.00 63.40 N ATOM 2110 CA ASP B 53 10.525 5.494 -6.991 1.00 64.11 C ATOM 2111 C ASP B 53 10.283 6.054 -8.416 1.00 64.35 C ATOM 2112 O ASP B 53 10.931 7.010 -8.860 1.00 21.14 O ATOM 2113 CB ASP B 53 11.984 5.717 -6.511 1.00 51.31 C ATOM 2114 CG ASP B 53 12.174 5.329 -5.036 1.00 13.03 C ATOM 2115 OD1 ASP B 53 12.278 4.117 -4.736 1.00 23.45 O ATOM 2116 OD2 ASP B 53 12.201 6.223 -4.166 1.00 54.31 O ATOM 0 H ASP B 53 9.484 3.845 -6.178 1.00 63.40 H new ATOM 0 HA ASP B 53 9.865 6.054 -6.328 1.00 64.11 H new ATOM 0 HB2 ASP B 53 12.662 5.130 -7.130 1.00 51.31 H new ATOM 0 HB3 ASP B 53 12.254 6.764 -6.647 1.00 51.31 H new ATOM 2121 N LYS B 54 9.296 5.446 -9.097 1.00 41.12 N ATOM 2122 CA LYS B 54 8.927 5.772 -10.485 1.00 51.41 C ATOM 2123 C LYS B 54 7.914 6.944 -10.526 1.00 31.44 C ATOM 2124 O LYS B 54 7.580 7.462 -11.600 1.00 73.25 O ATOM 2125 CB LYS B 54 8.347 4.484 -11.146 1.00 11.53 C ATOM 2126 CG LYS B 54 6.927 4.054 -10.656 1.00 3.41 C ATOM 2127 CD LYS B 54 6.672 2.513 -10.649 1.00 23.21 C ATOM 2128 CE LYS B 54 7.298 1.744 -11.834 1.00 2.23 C ATOM 2129 NZ LYS B 54 6.737 2.141 -13.147 1.00 35.11 N ATOM 0 H LYS B 54 8.725 4.704 -8.693 1.00 41.12 H new ATOM 0 HA LYS B 54 9.804 6.101 -11.042 1.00 51.41 H new ATOM 0 HB2 LYS B 54 8.309 4.637 -12.225 1.00 11.53 H new ATOM 0 HB3 LYS B 54 9.039 3.661 -10.965 1.00 11.53 H new ATOM 0 HG2 LYS B 54 6.775 4.437 -9.647 1.00 3.41 H new ATOM 0 HG3 LYS B 54 6.180 4.528 -11.293 1.00 3.41 H new ATOM 0 HD2 LYS B 54 7.063 2.099 -9.719 1.00 23.21 H new ATOM 0 HD3 LYS B 54 5.596 2.338 -10.649 1.00 23.21 H new ATOM 0 HE2 LYS B 54 8.375 1.912 -11.840 1.00 2.23 H new ATOM 0 HE3 LYS B 54 7.143 0.675 -11.688 1.00 2.23 H new ATOM 0 HZ1 LYS B 54 6.133 1.377 -13.512 1.00 35.11 H new ATOM 0 HZ2 LYS B 54 6.171 3.007 -13.035 1.00 35.11 H new ATOM 0 HZ3 LYS B 54 7.513 2.318 -13.817 1.00 35.11 H new ATOM 2143 N VAL B 55 7.433 7.341 -9.323 1.00 42.20 N ATOM 2144 CA VAL B 55 6.453 8.434 -9.126 1.00 63.45 C ATOM 2145 C VAL B 55 6.827 9.319 -7.901 1.00 33.23 C ATOM 2146 O VAL B 55 7.815 9.060 -7.203 1.00 14.01 O ATOM 2147 CB VAL B 55 4.996 7.871 -8.896 1.00 21.00 C ATOM 2148 CG1 VAL B 55 4.470 7.055 -10.109 1.00 51.24 C ATOM 2149 CG2 VAL B 55 4.933 7.058 -7.575 1.00 44.24 C ATOM 0 H VAL B 55 7.721 6.902 -8.448 1.00 42.20 H new ATOM 0 HA VAL B 55 6.477 9.033 -10.036 1.00 63.45 H new ATOM 0 HB VAL B 55 4.325 8.725 -8.803 1.00 21.00 H new ATOM 0 HG11 VAL B 55 3.465 6.693 -9.895 1.00 51.24 H new ATOM 0 HG12 VAL B 55 4.446 7.692 -10.993 1.00 51.24 H new ATOM 0 HG13 VAL B 55 5.130 6.207 -10.291 1.00 51.24 H new ATOM 0 HG21 VAL B 55 3.922 6.676 -7.430 1.00 44.24 H new ATOM 0 HG22 VAL B 55 5.632 6.223 -7.628 1.00 44.24 H new ATOM 0 HG23 VAL B 55 5.201 7.703 -6.738 1.00 44.24 H new ATOM 2159 N VAL B 56 6.002 10.356 -7.657 1.00 12.53 N ATOM 2160 CA VAL B 56 6.039 11.180 -6.434 1.00 31.34 C ATOM 2161 C VAL B 56 4.596 11.559 -5.988 1.00 72.02 C ATOM 2162 O VAL B 56 3.730 11.852 -6.825 1.00 62.33 O ATOM 2163 CB VAL B 56 6.952 12.457 -6.626 1.00 63.45 C ATOM 2164 CG1 VAL B 56 6.514 13.297 -7.853 1.00 2.03 C ATOM 2165 CG2 VAL B 56 7.014 13.317 -5.334 1.00 0.04 C ATOM 0 H VAL B 56 5.280 10.649 -8.315 1.00 12.53 H new ATOM 0 HA VAL B 56 6.489 10.589 -5.636 1.00 31.34 H new ATOM 0 HB VAL B 56 7.963 12.102 -6.825 1.00 63.45 H new ATOM 0 HG11 VAL B 56 7.166 14.165 -7.951 1.00 2.03 H new ATOM 0 HG12 VAL B 56 6.583 12.688 -8.754 1.00 2.03 H new ATOM 0 HG13 VAL B 56 5.485 13.629 -7.718 1.00 2.03 H new ATOM 0 HG21 VAL B 56 7.650 14.185 -5.505 1.00 0.04 H new ATOM 0 HG22 VAL B 56 6.010 13.649 -5.070 1.00 0.04 H new ATOM 0 HG23 VAL B 56 7.425 12.721 -4.519 1.00 0.04 H new ATOM 2175 N THR B 57 4.353 11.532 -4.657 1.00 2.34 N ATOM 2176 CA THR B 57 3.011 11.715 -4.050 1.00 62.53 C ATOM 2177 C THR B 57 2.891 13.065 -3.293 1.00 53.21 C ATOM 2178 O THR B 57 3.770 13.434 -2.502 1.00 52.14 O ATOM 2179 CB THR B 57 2.674 10.546 -3.060 1.00 50.04 C ATOM 2180 OG1 THR B 57 3.713 10.433 -2.063 1.00 61.33 O ATOM 2181 CG2 THR B 57 2.507 9.199 -3.791 1.00 25.45 C ATOM 0 H THR B 57 5.089 11.381 -3.967 1.00 2.34 H new ATOM 0 HA THR B 57 2.299 11.714 -4.876 1.00 62.53 H new ATOM 0 HB THR B 57 1.724 10.784 -2.582 1.00 50.04 H new ATOM 0 HG1 THR B 57 3.497 9.703 -1.446 1.00 61.33 H new ATOM 0 HG21 THR B 57 2.275 8.418 -3.067 1.00 25.45 H new ATOM 0 HG22 THR B 57 1.696 9.276 -4.515 1.00 25.45 H new ATOM 0 HG23 THR B 57 3.433 8.949 -4.309 1.00 25.45 H new ATOM 2189 N SER B 58 1.770 13.758 -3.534 1.00 43.11 N ATOM 2190 CA SER B 58 1.411 15.055 -2.912 1.00 72.12 C ATOM 2191 C SER B 58 -0.075 15.032 -2.469 1.00 51.34 C ATOM 2192 O SER B 58 -0.813 14.098 -2.802 1.00 51.12 O ATOM 2193 CB SER B 58 1.669 16.206 -3.919 1.00 22.41 C ATOM 2194 OG SER B 58 1.381 17.476 -3.355 1.00 33.40 O ATOM 0 H SER B 58 1.060 13.427 -4.187 1.00 43.11 H new ATOM 0 HA SER B 58 2.030 15.221 -2.030 1.00 72.12 H new ATOM 0 HB2 SER B 58 2.710 16.180 -4.242 1.00 22.41 H new ATOM 0 HB3 SER B 58 1.056 16.056 -4.807 1.00 22.41 H new ATOM 0 HG SER B 58 1.557 18.176 -4.018 1.00 33.40 H new ATOM 2200 N GLU B 59 -0.514 16.055 -1.712 1.00 52.13 N ATOM 2201 CA GLU B 59 -1.912 16.149 -1.221 1.00 44.04 C ATOM 2202 C GLU B 59 -2.649 17.333 -1.898 1.00 64.45 C ATOM 2203 O GLU B 59 -2.362 18.499 -1.610 1.00 63.32 O ATOM 2204 CB GLU B 59 -1.933 16.304 0.324 1.00 3.43 C ATOM 2205 CG GLU B 59 -3.341 16.196 0.948 1.00 3.11 C ATOM 2206 CD GLU B 59 -3.349 16.439 2.465 1.00 35.14 C ATOM 2207 OE1 GLU B 59 -2.769 15.622 3.206 1.00 24.13 O ATOM 2208 OE2 GLU B 59 -3.910 17.460 2.921 1.00 54.33 O ATOM 0 H GLU B 59 0.078 16.834 -1.423 1.00 52.13 H new ATOM 0 HA GLU B 59 -2.433 15.228 -1.483 1.00 44.04 H new ATOM 0 HB2 GLU B 59 -1.292 15.540 0.764 1.00 3.43 H new ATOM 0 HB3 GLU B 59 -1.503 17.270 0.588 1.00 3.43 H new ATOM 0 HG2 GLU B 59 -4.001 16.918 0.467 1.00 3.11 H new ATOM 0 HG3 GLU B 59 -3.748 15.206 0.743 1.00 3.11 H new ATOM 2215 N VAL B 60 -3.578 17.021 -2.817 1.00 32.22 N ATOM 2216 CA VAL B 60 -4.406 18.024 -3.536 1.00 73.10 C ATOM 2217 C VAL B 60 -5.898 17.889 -3.135 1.00 31.35 C ATOM 2218 O VAL B 60 -6.516 16.845 -3.375 1.00 23.11 O ATOM 2219 CB VAL B 60 -4.236 17.879 -5.107 1.00 44.00 C ATOM 2220 CG1 VAL B 60 -5.318 18.659 -5.911 1.00 12.52 C ATOM 2221 CG2 VAL B 60 -2.819 18.328 -5.544 1.00 71.40 C ATOM 0 H VAL B 60 -3.783 16.060 -3.089 1.00 32.22 H new ATOM 0 HA VAL B 60 -4.060 19.017 -3.248 1.00 73.10 H new ATOM 0 HB VAL B 60 -4.371 16.822 -5.337 1.00 44.00 H new ATOM 0 HG11 VAL B 60 -5.148 18.521 -6.979 1.00 12.52 H new ATOM 0 HG12 VAL B 60 -6.307 18.283 -5.649 1.00 12.52 H new ATOM 0 HG13 VAL B 60 -5.257 19.720 -5.668 1.00 12.52 H new ATOM 0 HG21 VAL B 60 -2.721 18.222 -6.624 1.00 71.40 H new ATOM 0 HG22 VAL B 60 -2.666 19.371 -5.267 1.00 71.40 H new ATOM 0 HG23 VAL B 60 -2.072 17.708 -5.049 1.00 71.40 H new ATOM 2231 N GLU B 61 -6.444 18.970 -2.522 1.00 43.33 N ATOM 2232 CA GLU B 61 -7.892 19.129 -2.201 1.00 42.43 C ATOM 2233 C GLU B 61 -8.435 18.003 -1.275 1.00 62.32 C ATOM 2234 O GLU B 61 -9.579 17.546 -1.421 1.00 24.24 O ATOM 2235 CB GLU B 61 -8.713 19.243 -3.526 1.00 61.12 C ATOM 2236 CG GLU B 61 -8.232 20.366 -4.477 1.00 65.32 C ATOM 2237 CD GLU B 61 -8.339 21.770 -3.866 1.00 41.22 C ATOM 2238 OE1 GLU B 61 -9.469 22.294 -3.745 1.00 50.54 O ATOM 2239 OE2 GLU B 61 -7.294 22.349 -3.484 1.00 12.13 O ATOM 0 H GLU B 61 -5.884 19.771 -2.231 1.00 43.33 H new ATOM 0 HA GLU B 61 -8.009 20.051 -1.632 1.00 42.43 H new ATOM 0 HB2 GLU B 61 -8.664 18.290 -4.053 1.00 61.12 H new ATOM 0 HB3 GLU B 61 -9.760 19.417 -3.278 1.00 61.12 H new ATOM 0 HG2 GLU B 61 -7.195 20.177 -4.755 1.00 65.32 H new ATOM 0 HG3 GLU B 61 -8.820 20.331 -5.394 1.00 65.32 H new ATOM 2246 N GLY B 62 -7.594 17.580 -0.306 1.00 24.55 N ATOM 2247 CA GLY B 62 -7.944 16.500 0.636 1.00 31.13 C ATOM 2248 C GLY B 62 -7.842 15.091 0.031 1.00 54.52 C ATOM 2249 O GLY B 62 -8.313 14.117 0.630 1.00 2.50 O ATOM 0 H GLY B 62 -6.665 17.974 -0.157 1.00 24.55 H new ATOM 0 HA2 GLY B 62 -7.287 16.561 1.504 1.00 31.13 H new ATOM 0 HA3 GLY B 62 -8.961 16.659 0.994 1.00 31.13 H new ATOM 2253 N GLU B 63 -7.216 14.978 -1.158 1.00 11.15 N ATOM 2254 CA GLU B 63 -7.064 13.700 -1.889 1.00 22.22 C ATOM 2255 C GLU B 63 -5.581 13.442 -2.260 1.00 62.13 C ATOM 2256 O GLU B 63 -4.783 14.378 -2.365 1.00 73.52 O ATOM 2257 CB GLU B 63 -7.968 13.723 -3.164 1.00 61.50 C ATOM 2258 CG GLU B 63 -8.035 12.399 -3.963 1.00 14.01 C ATOM 2259 CD GLU B 63 -8.587 11.211 -3.141 1.00 22.42 C ATOM 2260 OE1 GLU B 63 -7.798 10.520 -2.451 1.00 50.43 O ATOM 2261 OE2 GLU B 63 -9.806 10.968 -3.168 1.00 1.45 O ATOM 0 H GLU B 63 -6.799 15.773 -1.642 1.00 11.15 H new ATOM 0 HA GLU B 63 -7.381 12.881 -1.243 1.00 22.22 H new ATOM 0 HB2 GLU B 63 -8.980 13.997 -2.865 1.00 61.50 H new ATOM 0 HB3 GLU B 63 -7.608 14.509 -3.828 1.00 61.50 H new ATOM 0 HG2 GLU B 63 -8.663 12.545 -4.842 1.00 14.01 H new ATOM 0 HG3 GLU B 63 -7.037 12.150 -4.322 1.00 14.01 H new ATOM 2268 N ILE B 64 -5.231 12.151 -2.454 1.00 44.22 N ATOM 2269 CA ILE B 64 -3.883 11.730 -2.877 1.00 22.31 C ATOM 2270 C ILE B 64 -3.675 12.037 -4.381 1.00 74.14 C ATOM 2271 O ILE B 64 -4.323 11.437 -5.242 1.00 53.14 O ATOM 2272 CB ILE B 64 -3.648 10.189 -2.622 1.00 12.31 C ATOM 2273 CG1 ILE B 64 -3.848 9.838 -1.109 1.00 43.15 C ATOM 2274 CG2 ILE B 64 -2.244 9.737 -3.123 1.00 70.31 C ATOM 2275 CD1 ILE B 64 -3.721 8.355 -0.771 1.00 4.04 C ATOM 0 H ILE B 64 -5.878 11.374 -2.321 1.00 44.22 H new ATOM 0 HA ILE B 64 -3.163 12.291 -2.281 1.00 22.31 H new ATOM 0 HB ILE B 64 -4.393 9.639 -3.198 1.00 12.31 H new ATOM 0 HG12 ILE B 64 -3.116 10.393 -0.522 1.00 43.15 H new ATOM 0 HG13 ILE B 64 -4.834 10.183 -0.798 1.00 43.15 H new ATOM 0 HG21 ILE B 64 -2.115 8.672 -2.932 1.00 70.31 H new ATOM 0 HG22 ILE B 64 -2.161 9.927 -4.193 1.00 70.31 H new ATOM 0 HG23 ILE B 64 -1.472 10.296 -2.595 1.00 70.31 H new ATOM 0 HD11 ILE B 64 -3.875 8.211 0.298 1.00 4.04 H new ATOM 0 HD12 ILE B 64 -4.471 7.790 -1.325 1.00 4.04 H new ATOM 0 HD13 ILE B 64 -2.726 8.003 -1.045 1.00 4.04 H new ATOM 2287 N PHE B 65 -2.791 12.993 -4.669 1.00 74.21 N ATOM 2288 CA PHE B 65 -2.298 13.265 -6.030 1.00 5.03 C ATOM 2289 C PHE B 65 -0.979 12.501 -6.239 1.00 4.15 C ATOM 2290 O PHE B 65 -0.125 12.494 -5.355 1.00 5.14 O ATOM 2291 CB PHE B 65 -2.075 14.791 -6.216 1.00 22.24 C ATOM 2292 CG PHE B 65 -1.589 15.202 -7.610 1.00 32.20 C ATOM 2293 CD1 PHE B 65 -2.490 15.373 -8.656 1.00 32.25 C ATOM 2294 CD2 PHE B 65 -0.228 15.403 -7.878 1.00 33.22 C ATOM 2295 CE1 PHE B 65 -2.059 15.733 -9.917 1.00 13.33 C ATOM 2296 CE2 PHE B 65 0.200 15.760 -9.142 1.00 73.11 C ATOM 2297 CZ PHE B 65 -0.715 15.923 -10.162 1.00 22.43 C ATOM 0 H PHE B 65 -2.390 13.609 -3.961 1.00 74.21 H new ATOM 0 HA PHE B 65 -3.031 12.934 -6.766 1.00 5.03 H new ATOM 0 HB2 PHE B 65 -3.010 15.309 -6.005 1.00 22.24 H new ATOM 0 HB3 PHE B 65 -1.348 15.131 -5.478 1.00 22.24 H new ATOM 0 HD1 PHE B 65 -3.544 15.222 -8.478 1.00 32.25 H new ATOM 0 HD2 PHE B 65 0.495 15.277 -7.086 1.00 33.22 H new ATOM 0 HE1 PHE B 65 -2.776 15.866 -10.714 1.00 13.33 H new ATOM 0 HE2 PHE B 65 1.252 15.912 -9.332 1.00 73.11 H new ATOM 0 HZ PHE B 65 -0.379 16.199 -11.151 1.00 22.43 H new ATOM 2307 N VAL B 66 -0.818 11.846 -7.391 1.00 62.01 N ATOM 2308 CA VAL B 66 0.452 11.178 -7.748 1.00 1.51 C ATOM 2309 C VAL B 66 0.793 11.396 -9.242 1.00 73.41 C ATOM 2310 O VAL B 66 -0.100 11.430 -10.098 1.00 62.50 O ATOM 2311 CB VAL B 66 0.425 9.648 -7.368 1.00 62.02 C ATOM 2312 CG1 VAL B 66 -0.706 8.897 -8.100 1.00 60.24 C ATOM 2313 CG2 VAL B 66 1.799 8.985 -7.611 1.00 32.21 C ATOM 0 H VAL B 66 -1.548 11.760 -8.098 1.00 62.01 H new ATOM 0 HA VAL B 66 1.248 11.637 -7.162 1.00 1.51 H new ATOM 0 HB VAL B 66 0.213 9.582 -6.301 1.00 62.02 H new ATOM 0 HG11 VAL B 66 -0.691 7.846 -7.811 1.00 60.24 H new ATOM 0 HG12 VAL B 66 -1.667 9.334 -7.830 1.00 60.24 H new ATOM 0 HG13 VAL B 66 -0.560 8.980 -9.177 1.00 60.24 H new ATOM 0 HG21 VAL B 66 1.747 7.931 -7.339 1.00 32.21 H new ATOM 0 HG22 VAL B 66 2.066 9.076 -8.664 1.00 32.21 H new ATOM 0 HG23 VAL B 66 2.555 9.480 -7.001 1.00 32.21 H new ATOM 2323 N LYS B 67 2.095 11.553 -9.538 1.00 31.04 N ATOM 2324 CA LYS B 67 2.596 11.823 -10.906 1.00 2.42 C ATOM 2325 C LYS B 67 3.959 11.158 -11.118 1.00 61.15 C ATOM 2326 O LYS B 67 4.631 10.824 -10.150 1.00 61.44 O ATOM 2327 CB LYS B 67 2.721 13.353 -11.122 1.00 54.13 C ATOM 2328 CG LYS B 67 3.685 14.052 -10.143 1.00 33.02 C ATOM 2329 CD LYS B 67 3.820 15.563 -10.409 1.00 55.05 C ATOM 2330 CE LYS B 67 4.828 16.231 -9.458 1.00 0.22 C ATOM 2331 NZ LYS B 67 4.946 17.677 -9.724 1.00 5.21 N ATOM 0 H LYS B 67 2.834 11.497 -8.838 1.00 31.04 H new ATOM 0 HA LYS B 67 1.890 11.410 -11.626 1.00 2.42 H new ATOM 0 HB2 LYS B 67 3.059 13.538 -12.142 1.00 54.13 H new ATOM 0 HB3 LYS B 67 1.733 13.804 -11.026 1.00 54.13 H new ATOM 0 HG2 LYS B 67 3.333 13.898 -9.123 1.00 33.02 H new ATOM 0 HG3 LYS B 67 4.668 13.587 -10.215 1.00 33.02 H new ATOM 0 HD2 LYS B 67 4.135 15.722 -11.440 1.00 55.05 H new ATOM 0 HD3 LYS B 67 2.846 16.039 -10.296 1.00 55.05 H new ATOM 0 HE2 LYS B 67 4.515 16.074 -8.426 1.00 0.22 H new ATOM 0 HE3 LYS B 67 5.804 15.759 -9.570 1.00 0.22 H new ATOM 0 HZ1 LYS B 67 5.633 18.096 -9.066 1.00 5.21 H new ATOM 0 HZ2 LYS B 67 5.268 17.825 -10.702 1.00 5.21 H new ATOM 0 HZ3 LYS B 67 4.020 18.131 -9.593 1.00 5.21 H new ATOM 2345 N LEU B 68 4.380 10.999 -12.385 1.00 63.03 N ATOM 2346 CA LEU B 68 5.720 10.452 -12.704 1.00 11.15 C ATOM 2347 C LEU B 68 6.828 11.465 -12.339 1.00 74.34 C ATOM 2348 O LEU B 68 6.582 12.676 -12.301 1.00 72.11 O ATOM 2349 CB LEU B 68 5.832 10.062 -14.207 1.00 35.21 C ATOM 2350 CG LEU B 68 4.741 9.085 -14.762 1.00 55.43 C ATOM 2351 CD1 LEU B 68 5.137 8.524 -16.145 1.00 34.54 C ATOM 2352 CD2 LEU B 68 4.426 7.951 -13.765 1.00 70.01 C ATOM 0 H LEU B 68 3.820 11.238 -13.203 1.00 63.03 H new ATOM 0 HA LEU B 68 5.854 9.551 -12.106 1.00 11.15 H new ATOM 0 HB2 LEU B 68 5.803 10.977 -14.799 1.00 35.21 H new ATOM 0 HB3 LEU B 68 6.810 9.608 -14.369 1.00 35.21 H new ATOM 0 HG LEU B 68 3.827 9.665 -14.890 1.00 55.43 H new ATOM 0 HD11 LEU B 68 4.358 7.850 -16.501 1.00 34.54 H new ATOM 0 HD12 LEU B 68 5.255 9.346 -16.851 1.00 34.54 H new ATOM 0 HD13 LEU B 68 6.078 7.980 -16.061 1.00 34.54 H new ATOM 0 HD21 LEU B 68 3.665 7.296 -14.188 1.00 70.01 H new ATOM 0 HD22 LEU B 68 5.331 7.377 -13.569 1.00 70.01 H new ATOM 0 HD23 LEU B 68 4.059 8.378 -12.832 1.00 70.01 H new ATOM 2364 N VAL B 69 8.042 10.956 -12.063 1.00 12.45 N ATOM 2365 CA VAL B 69 9.219 11.808 -11.775 1.00 42.54 C ATOM 2366 C VAL B 69 9.665 12.560 -13.064 1.00 4.25 C ATOM 2367 O VAL B 69 10.100 11.932 -14.036 1.00 12.33 O ATOM 2368 CB VAL B 69 10.415 10.959 -11.190 1.00 2.44 C ATOM 2369 CG1 VAL B 69 11.633 11.856 -10.834 1.00 15.44 C ATOM 2370 CG2 VAL B 69 9.958 10.129 -9.960 1.00 13.22 C ATOM 0 H VAL B 69 8.238 9.955 -12.032 1.00 12.45 H new ATOM 0 HA VAL B 69 8.930 12.539 -11.019 1.00 42.54 H new ATOM 0 HB VAL B 69 10.735 10.266 -11.968 1.00 2.44 H new ATOM 0 HG11 VAL B 69 12.436 11.237 -10.434 1.00 15.44 H new ATOM 0 HG12 VAL B 69 11.982 12.369 -11.730 1.00 15.44 H new ATOM 0 HG13 VAL B 69 11.337 12.592 -10.087 1.00 15.44 H new ATOM 0 HG21 VAL B 69 10.800 9.553 -9.576 1.00 13.22 H new ATOM 0 HG22 VAL B 69 9.593 10.801 -9.183 1.00 13.22 H new ATOM 0 HG23 VAL B 69 9.159 9.449 -10.256 1.00 13.22 H new