USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1198 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 GLN : amide:sc= 0.674 K(o=1.9,f=-6.5!) USER MOD Set 1.2: B 92 HIS : no HD1:sc= 1.18 K(o=1.9,f=-7.9!) USER MOD Set 2.1: B 44 ASN : amide:sc= 0.794 K(o=2,f=-14!) USER MOD Set 2.2: B 52 LYS NZ :NH3+ -147:sc= 1.23 (180deg=0) USER MOD Set 3.1: B 43 MET CE :methyl 146:sc= -0.293 (180deg=-1.46!) USER MOD Set 3.2: B 63 MET CE :methyl 176:sc= -0.503 (180deg=-0.695) USER MOD Set 4.1: B 33 THR OG1 : rot 140:sc= 1.12 USER MOD Set 4.2: B 35 SER OG : rot 180:sc= 0.0027 USER MOD Set 4.3: B 74 GLN : amide:sc= 0.514 K(o=1.6,f=-2.6) USER MOD Set 5.1: A 92 HIS : no HD1:sc= 1.08 K(o=1.8,f=-8.3!) USER MOD Set 5.2: B 22 GLN : amide:sc= 0.746 K(o=1.8,f=-7!) USER MOD Set 6.1: A 43 MET CE :methyl 146:sc= -0.278 (180deg=-1.43!) USER MOD Set 6.2: A 63 MET CE :methyl 174:sc= -0.522 (180deg=-0.707) USER MOD Set 7.1: A 44 ASN : amide:sc= 0.913 K(o=2.1,f=-14!) USER MOD Set 7.2: A 52 LYS NZ :NH3+ -152:sc= 1.17 (180deg=0) USER MOD Set 8.1: A 33 THR OG1 : rot 139:sc= 1.12 USER MOD Set 8.2: A 35 SER OG : rot 180:sc= 0.0117 USER MOD Set 8.3: A 74 GLN : amide:sc= 0.559 K(o=1.7,f=-2.4) USER MOD Set 9.1: A 13 CYS SG : rot 95:sc= -8.25! USER MOD Set 9.2: B 13 CYS SG : rot 91:sc= -8.36! USER MOD Single : A 8 THR OG1 : rot -120:sc= 0.545 USER MOD Single : A 10 THR OG1 : rot -170:sc= -0.069 USER MOD Single : A 16 SER OG : rot 83:sc= 1.22 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot -123:sc= 1.12 USER MOD Single : A 36 LYS NZ :NH3+ -169:sc= 1.24 (180deg=1.01) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 75:sc= 1.05 USER MOD Single : A 45 THR OG1 : rot 160:sc= -3.7! USER MOD Single : A 51 THR OG1 : rot 146:sc= 0.348 USER MOD Single : A 64 MET CE :methyl 144:sc= -1.79 (180deg=-4.47!) USER MOD Single : A 65 LYS NZ :NH3+ 157:sc= 1.17 (180deg=0.856) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0.33) USER MOD Single : A 71 SER OG : rot -53:sc= 0.381 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.4) USER MOD Single : A 89 MET CE :methyl -174:sc= -0.134 (180deg=-0.265) USER MOD Single : A 91 CYS SG : rot 67:sc= 1.03 USER MOD Single : A 94 SER OG : rot 55:sc= 1.24 USER MOD Single : B 8 THR OG1 : rot -125:sc= 0.36 USER MOD Single : B 10 THR OG1 : rot -170:sc= -0.15 USER MOD Single : B 16 SER OG : rot 89:sc= 1.31 USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 TYR OH : rot -127:sc= 1.05 USER MOD Single : B 36 LYS NZ :NH3+ -169:sc= 1.3 (180deg=1.12) USER MOD Single : B 37 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot 75:sc= 1.09 USER MOD Single : B 45 THR OG1 : rot 160:sc= -3.63! USER MOD Single : B 51 THR OG1 : rot 140:sc= 0.344 USER MOD Single : B 64 MET CE :methyl 142:sc= -1.84 (180deg=-4.41!) USER MOD Single : B 65 LYS NZ :NH3+ 158:sc= 1.12 (180deg=0.825) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 ASN : amide:sc= 0 X(o=0,f=0.25) USER MOD Single : B 71 SER OG : rot -40:sc= 0.427 USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 82 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.4) USER MOD Single : B 89 MET CE :methyl -172:sc= -0.111 (180deg=-0.269) USER MOD Single : B 91 CYS SG : rot 66:sc= 1.07 USER MOD Single : B 94 SER OG : rot 86:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 93 N PRO A 7 -6.620 9.251 11.394 1.00 0.69 N ATOM 94 CA PRO A 7 -6.489 8.277 10.309 1.00 0.54 C ATOM 95 C PRO A 7 -7.026 6.911 10.708 1.00 0.44 C ATOM 96 O PRO A 7 -7.134 6.591 11.895 1.00 0.56 O ATOM 97 CB PRO A 7 -4.979 8.208 10.117 1.00 0.61 C ATOM 98 CG PRO A 7 -4.464 8.369 11.496 1.00 0.75 C ATOM 99 CD PRO A 7 -5.345 9.419 12.121 1.00 0.82 C ATOM 0 HA PRO A 7 -7.047 8.560 9.416 1.00 0.54 H new ATOM 0 HB2 PRO A 7 -4.670 7.259 9.678 1.00 0.61 H new ATOM 0 HB3 PRO A 7 -4.619 8.997 9.456 1.00 0.61 H new ATOM 0 HG2 PRO A 7 -4.515 7.431 12.049 1.00 0.75 H new ATOM 0 HG3 PRO A 7 -3.420 8.681 11.493 1.00 0.75 H new ATOM 0 HD2 PRO A 7 -5.466 9.260 13.192 1.00 0.82 H new ATOM 0 HD3 PRO A 7 -4.935 10.421 11.992 1.00 0.82 H new ATOM 107 N THR A 8 -7.370 6.112 9.723 1.00 0.34 N ATOM 108 CA THR A 8 -7.842 4.768 9.976 1.00 0.27 C ATOM 109 C THR A 8 -6.715 3.777 9.770 1.00 0.28 C ATOM 110 O THR A 8 -5.564 4.176 9.590 1.00 0.35 O ATOM 111 CB THR A 8 -9.004 4.413 9.046 1.00 0.28 C ATOM 112 OG1 THR A 8 -8.510 4.264 7.713 1.00 0.36 O ATOM 113 CG2 THR A 8 -10.051 5.509 9.095 1.00 0.32 C ATOM 0 H THR A 8 -7.332 6.370 8.737 1.00 0.34 H new ATOM 0 HA THR A 8 -8.191 4.720 11.008 1.00 0.27 H new ATOM 0 HB THR A 8 -9.460 3.477 9.368 1.00 0.28 H new ATOM 0 HG1 THR A 8 -8.949 4.915 7.127 1.00 0.36 H new ATOM 0 HG21 THR A 8 -10.877 5.253 8.432 1.00 0.32 H new ATOM 0 HG22 THR A 8 -10.423 5.612 10.114 1.00 0.32 H new ATOM 0 HG23 THR A 8 -9.607 6.451 8.774 1.00 0.32 H new ATOM 121 N GLU A 9 -7.055 2.497 9.776 1.00 0.28 N ATOM 122 CA GLU A 9 -6.079 1.436 9.585 1.00 0.33 C ATOM 123 C GLU A 9 -5.259 1.675 8.321 1.00 0.36 C ATOM 124 O GLU A 9 -4.038 1.710 8.371 1.00 0.52 O ATOM 125 CB GLU A 9 -6.784 0.084 9.505 1.00 0.40 C ATOM 126 CG GLU A 9 -5.821 -1.081 9.476 1.00 0.56 C ATOM 127 CD GLU A 9 -5.024 -1.195 10.755 1.00 1.73 C ATOM 128 OE1 GLU A 9 -5.543 -1.763 11.740 1.00 2.48 O ATOM 129 OE2 GLU A 9 -3.882 -0.712 10.786 1.00 2.47 O ATOM 0 H GLU A 9 -8.010 2.166 9.913 1.00 0.28 H new ATOM 0 HA GLU A 9 -5.401 1.435 10.439 1.00 0.33 H new ATOM 0 HB2 GLU A 9 -7.451 -0.024 10.361 1.00 0.40 H new ATOM 0 HB3 GLU A 9 -7.406 0.057 8.611 1.00 0.40 H new ATOM 0 HG2 GLU A 9 -6.376 -2.005 9.312 1.00 0.56 H new ATOM 0 HG3 GLU A 9 -5.139 -0.965 8.634 1.00 0.56 H new ATOM 136 N THR A 10 -5.939 1.888 7.205 1.00 0.26 N ATOM 137 CA THR A 10 -5.267 2.082 5.929 1.00 0.27 C ATOM 138 C THR A 10 -4.475 3.374 5.924 1.00 0.27 C ATOM 139 O THR A 10 -3.342 3.403 5.468 1.00 0.31 O ATOM 140 CB THR A 10 -6.259 2.063 4.737 1.00 0.27 C ATOM 141 OG1 THR A 10 -5.733 2.810 3.639 1.00 0.40 O ATOM 142 CG2 THR A 10 -7.617 2.623 5.131 1.00 0.25 C ATOM 0 H THR A 10 -6.957 1.931 7.157 1.00 0.26 H new ATOM 0 HA THR A 10 -4.581 1.244 5.805 1.00 0.27 H new ATOM 0 HB THR A 10 -6.391 1.023 4.439 1.00 0.27 H new ATOM 0 HG1 THR A 10 -6.428 2.923 2.958 1.00 0.40 H new ATOM 0 HG21 THR A 10 -8.286 2.594 4.271 1.00 0.25 H new ATOM 0 HG22 THR A 10 -8.038 2.023 5.938 1.00 0.25 H new ATOM 0 HG23 THR A 10 -7.502 3.654 5.467 1.00 0.25 H new ATOM 150 N GLU A 11 -5.048 4.426 6.478 1.00 0.25 N ATOM 151 CA GLU A 11 -4.421 5.736 6.430 1.00 0.27 C ATOM 152 C GLU A 11 -3.150 5.770 7.256 1.00 0.30 C ATOM 153 O GLU A 11 -2.117 6.255 6.801 1.00 0.32 O ATOM 154 CB GLU A 11 -5.398 6.787 6.910 1.00 0.29 C ATOM 155 CG GLU A 11 -6.722 6.668 6.204 1.00 0.41 C ATOM 156 CD GLU A 11 -7.653 7.822 6.482 1.00 1.11 C ATOM 157 OE1 GLU A 11 -8.017 8.017 7.658 1.00 1.85 O ATOM 158 OE2 GLU A 11 -8.041 8.518 5.521 1.00 1.71 O ATOM 0 H GLU A 11 -5.944 4.401 6.965 1.00 0.25 H new ATOM 0 HA GLU A 11 -4.145 5.949 5.397 1.00 0.27 H new ATOM 0 HB2 GLU A 11 -5.546 6.684 7.985 1.00 0.29 H new ATOM 0 HB3 GLU A 11 -4.981 7.779 6.739 1.00 0.29 H new ATOM 0 HG2 GLU A 11 -6.548 6.601 5.130 1.00 0.41 H new ATOM 0 HG3 GLU A 11 -7.205 5.739 6.507 1.00 0.41 H new ATOM 165 N ARG A 12 -3.222 5.226 8.458 1.00 0.35 N ATOM 166 CA ARG A 12 -2.057 5.172 9.328 1.00 0.42 C ATOM 167 C ARG A 12 -1.021 4.234 8.733 1.00 0.43 C ATOM 168 O ARG A 12 0.183 4.445 8.863 1.00 0.47 O ATOM 169 CB ARG A 12 -2.452 4.750 10.755 1.00 0.48 C ATOM 170 CG ARG A 12 -2.985 3.325 10.907 1.00 0.49 C ATOM 171 CD ARG A 12 -1.872 2.291 10.866 1.00 0.56 C ATOM 172 NE ARG A 12 -2.222 1.079 11.598 1.00 1.08 N ATOM 173 CZ ARG A 12 -1.807 0.794 12.830 1.00 1.35 C ATOM 174 NH1 ARG A 12 -1.047 1.652 13.504 1.00 1.86 N ATOM 175 NH2 ARG A 12 -2.169 -0.350 13.391 1.00 1.95 N ATOM 0 H ARG A 12 -4.069 4.817 8.854 1.00 0.35 H new ATOM 0 HA ARG A 12 -1.620 6.168 9.401 1.00 0.42 H new ATOM 0 HB2 ARG A 12 -1.581 4.862 11.400 1.00 0.48 H new ATOM 0 HB3 ARG A 12 -3.211 5.442 11.121 1.00 0.48 H new ATOM 0 HG2 ARG A 12 -3.525 3.239 11.850 1.00 0.49 H new ATOM 0 HG3 ARG A 12 -3.700 3.119 10.111 1.00 0.49 H new ATOM 0 HD2 ARG A 12 -1.652 2.037 9.829 1.00 0.56 H new ATOM 0 HD3 ARG A 12 -0.964 2.720 11.289 1.00 0.56 H new ATOM 0 HE ARG A 12 -2.827 0.402 11.133 1.00 1.08 H new ATOM 0 HH11 ARG A 12 -0.777 2.538 13.077 1.00 1.86 H new ATOM 0 HH12 ARG A 12 -0.734 1.424 14.448 1.00 1.86 H new ATOM 0 HH21 ARG A 12 -2.761 -1.004 12.879 1.00 1.95 H new ATOM 0 HH22 ARG A 12 -1.856 -0.577 14.335 1.00 1.95 H new ATOM 189 N CYS A 13 -1.513 3.208 8.060 1.00 0.42 N ATOM 190 CA CYS A 13 -0.670 2.212 7.429 1.00 0.44 C ATOM 191 C CYS A 13 -0.003 2.800 6.206 1.00 0.30 C ATOM 192 O CYS A 13 1.148 2.498 5.895 1.00 0.29 O ATOM 193 CB CYS A 13 -1.527 0.992 7.090 1.00 0.57 C ATOM 194 SG CYS A 13 -1.738 -0.135 8.483 1.00 2.16 S ATOM 0 H CYS A 13 -2.512 3.043 7.937 1.00 0.42 H new ATOM 0 HA CYS A 13 0.125 1.896 8.104 1.00 0.44 H new ATOM 0 HB2 CYS A 13 -2.507 1.327 6.750 1.00 0.57 H new ATOM 0 HB3 CYS A 13 -1.069 0.453 6.261 1.00 0.57 H new ATOM 0 HG CYS A 13 -2.852 0.136 9.096 1.00 2.16 H new ATOM 200 N ILE A 14 -0.731 3.671 5.546 1.00 0.26 N ATOM 201 CA ILE A 14 -0.210 4.437 4.445 1.00 0.24 C ATOM 202 C ILE A 14 0.961 5.305 4.893 1.00 0.21 C ATOM 203 O ILE A 14 2.017 5.316 4.262 1.00 0.23 O ATOM 204 CB ILE A 14 -1.321 5.322 3.852 1.00 0.24 C ATOM 205 CG1 ILE A 14 -2.198 4.520 2.896 1.00 0.25 C ATOM 206 CG2 ILE A 14 -0.747 6.546 3.164 1.00 0.27 C ATOM 207 CD1 ILE A 14 -3.435 5.269 2.476 1.00 0.27 C ATOM 0 H ILE A 14 -1.708 3.867 5.762 1.00 0.26 H new ATOM 0 HA ILE A 14 0.148 3.745 3.683 1.00 0.24 H new ATOM 0 HB ILE A 14 -1.944 5.670 4.676 1.00 0.24 H new ATOM 0 HG12 ILE A 14 -1.618 4.258 2.011 1.00 0.25 H new ATOM 0 HG13 ILE A 14 -2.489 3.585 3.374 1.00 0.25 H new ATOM 0 HG21 ILE A 14 -1.559 7.149 2.757 1.00 0.27 H new ATOM 0 HG22 ILE A 14 -0.182 7.137 3.885 1.00 0.27 H new ATOM 0 HG23 ILE A 14 -0.087 6.233 2.355 1.00 0.27 H new ATOM 0 HD11 ILE A 14 -4.021 4.651 1.796 1.00 0.27 H new ATOM 0 HD12 ILE A 14 -4.032 5.508 3.356 1.00 0.27 H new ATOM 0 HD13 ILE A 14 -3.148 6.191 1.971 1.00 0.27 H new ATOM 219 N GLU A 15 0.783 5.987 6.016 1.00 0.24 N ATOM 220 CA GLU A 15 1.775 6.920 6.519 1.00 0.28 C ATOM 221 C GLU A 15 2.978 6.166 7.000 1.00 0.30 C ATOM 222 O GLU A 15 4.084 6.693 7.064 1.00 0.34 O ATOM 223 CB GLU A 15 1.207 7.714 7.676 1.00 0.32 C ATOM 224 CG GLU A 15 -0.055 8.477 7.320 1.00 0.33 C ATOM 225 CD GLU A 15 -0.637 9.215 8.506 1.00 0.38 C ATOM 226 OE1 GLU A 15 -0.897 8.575 9.545 1.00 1.26 O ATOM 227 OE2 GLU A 15 -0.838 10.444 8.400 1.00 1.06 O ATOM 0 H GLU A 15 -0.050 5.908 6.600 1.00 0.24 H new ATOM 0 HA GLU A 15 2.054 7.598 5.713 1.00 0.28 H new ATOM 0 HB2 GLU A 15 0.992 7.036 8.502 1.00 0.32 H new ATOM 0 HB3 GLU A 15 1.961 8.418 8.029 1.00 0.32 H new ATOM 0 HG2 GLU A 15 0.166 9.189 6.525 1.00 0.33 H new ATOM 0 HG3 GLU A 15 -0.798 7.782 6.928 1.00 0.33 H new ATOM 234 N SER A 16 2.745 4.925 7.346 1.00 0.31 N ATOM 235 CA SER A 16 3.793 4.079 7.819 1.00 0.38 C ATOM 236 C SER A 16 4.635 3.587 6.649 1.00 0.29 C ATOM 237 O SER A 16 5.817 3.292 6.804 1.00 0.28 O ATOM 238 CB SER A 16 3.198 2.937 8.619 1.00 0.54 C ATOM 239 OG SER A 16 2.436 3.432 9.711 1.00 0.97 O ATOM 0 H SER A 16 1.827 4.482 7.306 1.00 0.31 H new ATOM 0 HA SER A 16 4.456 4.638 8.480 1.00 0.38 H new ATOM 0 HB2 SER A 16 2.565 2.326 7.975 1.00 0.54 H new ATOM 0 HB3 SER A 16 3.995 2.291 8.988 1.00 0.54 H new ATOM 0 HG SER A 16 1.540 3.678 9.400 1.00 0.97 H new ATOM 245 N LEU A 17 4.028 3.529 5.468 1.00 0.27 N ATOM 246 CA LEU A 17 4.787 3.309 4.247 1.00 0.28 C ATOM 247 C LEU A 17 5.626 4.545 3.983 1.00 0.27 C ATOM 248 O LEU A 17 6.783 4.445 3.595 1.00 0.32 O ATOM 249 CB LEU A 17 3.868 3.044 3.057 1.00 0.29 C ATOM 250 CG LEU A 17 2.790 1.993 3.301 1.00 0.33 C ATOM 251 CD1 LEU A 17 1.821 1.934 2.132 1.00 0.33 C ATOM 252 CD2 LEU A 17 3.411 0.625 3.548 1.00 0.46 C ATOM 0 H LEU A 17 3.022 3.630 5.333 1.00 0.27 H new ATOM 0 HA LEU A 17 5.420 2.430 4.373 1.00 0.28 H new ATOM 0 HB2 LEU A 17 3.386 3.979 2.773 1.00 0.29 H new ATOM 0 HB3 LEU A 17 4.477 2.729 2.209 1.00 0.29 H new ATOM 0 HG LEU A 17 2.235 2.282 4.194 1.00 0.33 H new ATOM 0 HD11 LEU A 17 1.061 1.178 2.327 1.00 0.33 H new ATOM 0 HD12 LEU A 17 1.343 2.905 2.006 1.00 0.33 H new ATOM 0 HD13 LEU A 17 2.364 1.676 1.222 1.00 0.33 H new ATOM 0 HD21 LEU A 17 2.622 -0.107 3.719 1.00 0.46 H new ATOM 0 HD22 LEU A 17 3.998 0.329 2.678 1.00 0.46 H new ATOM 0 HD23 LEU A 17 4.059 0.672 4.424 1.00 0.46 H new ATOM 264 N ILE A 18 5.028 5.718 4.221 1.00 0.27 N ATOM 265 CA ILE A 18 5.767 6.975 4.182 1.00 0.30 C ATOM 266 C ILE A 18 6.953 6.899 5.139 1.00 0.28 C ATOM 267 O ILE A 18 8.052 7.325 4.806 1.00 0.30 O ATOM 268 CB ILE A 18 4.879 8.214 4.536 1.00 0.36 C ATOM 269 CG1 ILE A 18 4.091 8.692 3.314 1.00 0.63 C ATOM 270 CG2 ILE A 18 5.720 9.363 5.084 1.00 0.47 C ATOM 271 CD1 ILE A 18 2.850 7.886 3.016 1.00 1.37 C ATOM 0 H ILE A 18 4.037 5.818 4.442 1.00 0.27 H new ATOM 0 HA ILE A 18 6.112 7.114 3.158 1.00 0.30 H new ATOM 0 HB ILE A 18 4.178 7.896 5.308 1.00 0.36 H new ATOM 0 HG12 ILE A 18 3.805 9.733 3.466 1.00 0.63 H new ATOM 0 HG13 ILE A 18 4.745 8.665 2.442 1.00 0.63 H new ATOM 0 HG21 ILE A 18 5.073 10.208 5.320 1.00 0.47 H new ATOM 0 HG22 ILE A 18 6.236 9.038 5.988 1.00 0.47 H new ATOM 0 HG23 ILE A 18 6.454 9.666 4.337 1.00 0.47 H new ATOM 0 HD11 ILE A 18 2.354 8.294 2.135 1.00 1.37 H new ATOM 0 HD12 ILE A 18 3.126 6.848 2.829 1.00 1.37 H new ATOM 0 HD13 ILE A 18 2.172 7.933 3.868 1.00 1.37 H new ATOM 283 N ALA A 19 6.720 6.320 6.310 1.00 0.25 N ATOM 284 CA ALA A 19 7.755 6.190 7.323 1.00 0.25 C ATOM 285 C ALA A 19 8.927 5.352 6.824 1.00 0.23 C ATOM 286 O ALA A 19 10.049 5.847 6.742 1.00 0.28 O ATOM 287 CB ALA A 19 7.177 5.596 8.600 1.00 0.28 C ATOM 0 H ALA A 19 5.817 5.931 6.581 1.00 0.25 H new ATOM 0 HA ALA A 19 8.134 7.189 7.540 1.00 0.25 H new ATOM 0 HB1 ALA A 19 7.965 5.505 9.348 1.00 0.28 H new ATOM 0 HB2 ALA A 19 6.389 6.246 8.980 1.00 0.28 H new ATOM 0 HB3 ALA A 19 6.763 4.610 8.388 1.00 0.28 H new ATOM 293 N VAL A 20 8.665 4.092 6.468 1.00 0.20 N ATOM 294 CA VAL A 20 9.735 3.187 6.052 1.00 0.22 C ATOM 295 C VAL A 20 10.367 3.673 4.758 1.00 0.23 C ATOM 296 O VAL A 20 11.586 3.610 4.587 1.00 0.27 O ATOM 297 CB VAL A 20 9.251 1.719 5.884 1.00 0.27 C ATOM 298 CG1 VAL A 20 8.206 1.397 6.921 1.00 0.87 C ATOM 299 CG2 VAL A 20 8.697 1.437 4.493 1.00 0.87 C ATOM 0 H VAL A 20 7.732 3.680 6.460 1.00 0.20 H new ATOM 0 HA VAL A 20 10.477 3.193 6.850 1.00 0.22 H new ATOM 0 HB VAL A 20 10.124 1.081 6.021 1.00 0.27 H new ATOM 0 HG11 VAL A 20 7.874 0.367 6.795 1.00 0.87 H new ATOM 0 HG12 VAL A 20 8.631 1.522 7.917 1.00 0.87 H new ATOM 0 HG13 VAL A 20 7.356 2.069 6.802 1.00 0.87 H new ATOM 0 HG21 VAL A 20 8.375 0.397 4.434 1.00 0.87 H new ATOM 0 HG22 VAL A 20 7.847 2.092 4.300 1.00 0.87 H new ATOM 0 HG23 VAL A 20 9.472 1.619 3.749 1.00 0.87 H new ATOM 309 N PHE A 21 9.542 4.183 3.856 1.00 0.23 N ATOM 310 CA PHE A 21 10.056 4.661 2.584 1.00 0.25 C ATOM 311 C PHE A 21 10.955 5.873 2.774 1.00 0.29 C ATOM 312 O PHE A 21 12.068 5.896 2.281 1.00 0.35 O ATOM 313 CB PHE A 21 8.930 5.008 1.616 1.00 0.26 C ATOM 314 CG PHE A 21 9.421 5.580 0.320 1.00 0.91 C ATOM 315 CD1 PHE A 21 9.871 4.748 -0.691 1.00 1.85 C ATOM 316 CD2 PHE A 21 9.441 6.952 0.115 1.00 1.59 C ATOM 317 CE1 PHE A 21 10.331 5.271 -1.880 1.00 2.48 C ATOM 318 CE2 PHE A 21 9.901 7.479 -1.073 1.00 2.17 C ATOM 319 CZ PHE A 21 10.346 6.638 -2.072 1.00 2.40 C ATOM 0 H PHE A 21 8.533 4.275 3.978 1.00 0.23 H new ATOM 0 HA PHE A 21 10.642 3.848 2.156 1.00 0.25 H new ATOM 0 HB2 PHE A 21 8.346 4.111 1.412 1.00 0.26 H new ATOM 0 HB3 PHE A 21 8.259 5.724 2.091 1.00 0.26 H new ATOM 0 HD1 PHE A 21 9.861 3.678 -0.546 1.00 1.85 H new ATOM 0 HD2 PHE A 21 9.093 7.614 0.894 1.00 1.59 H new ATOM 0 HE1 PHE A 21 10.680 4.612 -2.661 1.00 2.48 H new ATOM 0 HE2 PHE A 21 9.913 8.549 -1.221 1.00 2.17 H new ATOM 0 HZ PHE A 21 10.706 7.049 -3.004 1.00 2.40 H new ATOM 329 N GLN A 22 10.483 6.861 3.513 1.00 0.30 N ATOM 330 CA GLN A 22 11.181 8.135 3.609 1.00 0.37 C ATOM 331 C GLN A 22 12.522 7.980 4.315 1.00 0.36 C ATOM 332 O GLN A 22 13.477 8.694 4.012 1.00 0.44 O ATOM 333 CB GLN A 22 10.316 9.160 4.342 1.00 0.47 C ATOM 334 CG GLN A 22 10.893 10.559 4.335 1.00 1.12 C ATOM 335 CD GLN A 22 10.709 11.276 3.012 1.00 1.98 C ATOM 336 OE1 GLN A 22 10.611 10.654 1.952 1.00 2.68 O ATOM 337 NE2 GLN A 22 10.671 12.596 3.065 1.00 2.66 N ATOM 0 H GLN A 22 9.621 6.808 4.055 1.00 0.30 H new ATOM 0 HA GLN A 22 11.372 8.489 2.596 1.00 0.37 H new ATOM 0 HB2 GLN A 22 9.327 9.182 3.884 1.00 0.47 H new ATOM 0 HB3 GLN A 22 10.182 8.837 5.374 1.00 0.47 H new ATOM 0 HG2 GLN A 22 10.422 11.143 5.126 1.00 1.12 H new ATOM 0 HG3 GLN A 22 11.957 10.507 4.568 1.00 1.12 H new ATOM 0 HE21 GLN A 22 10.756 13.073 3.963 1.00 2.66 H new ATOM 0 HE22 GLN A 22 10.557 13.138 2.208 1.00 2.66 H new ATOM 346 N LYS A 23 12.602 7.036 5.241 1.00 0.35 N ATOM 347 CA LYS A 23 13.827 6.849 5.993 1.00 0.39 C ATOM 348 C LYS A 23 14.888 6.127 5.166 1.00 0.40 C ATOM 349 O LYS A 23 16.074 6.443 5.256 1.00 0.49 O ATOM 350 CB LYS A 23 13.558 6.123 7.325 1.00 0.41 C ATOM 351 CG LYS A 23 12.900 4.761 7.205 1.00 0.42 C ATOM 352 CD LYS A 23 12.200 4.394 8.505 1.00 0.63 C ATOM 353 CE LYS A 23 12.565 3.003 8.980 1.00 0.63 C ATOM 354 NZ LYS A 23 12.052 2.733 10.347 1.00 0.91 N ATOM 0 H LYS A 23 11.844 6.398 5.485 1.00 0.35 H new ATOM 0 HA LYS A 23 14.221 7.837 6.231 1.00 0.39 H new ATOM 0 HB2 LYS A 23 14.505 6.005 7.852 1.00 0.41 H new ATOM 0 HB3 LYS A 23 12.926 6.759 7.944 1.00 0.41 H new ATOM 0 HG2 LYS A 23 12.180 4.769 6.387 1.00 0.42 H new ATOM 0 HG3 LYS A 23 13.650 4.008 6.963 1.00 0.42 H new ATOM 0 HD2 LYS A 23 12.464 5.119 9.275 1.00 0.63 H new ATOM 0 HD3 LYS A 23 11.121 4.456 8.364 1.00 0.63 H new ATOM 0 HE2 LYS A 23 12.160 2.265 8.288 1.00 0.63 H new ATOM 0 HE3 LYS A 23 13.649 2.888 8.970 1.00 0.63 H new ATOM 0 HZ1 LYS A 23 12.323 1.771 10.636 1.00 0.91 H new ATOM 0 HZ2 LYS A 23 12.458 3.421 11.012 1.00 0.91 H new ATOM 0 HZ3 LYS A 23 11.015 2.817 10.352 1.00 0.91 H new ATOM 368 N TYR A 24 14.470 5.154 4.369 1.00 0.36 N ATOM 369 CA TYR A 24 15.416 4.383 3.569 1.00 0.39 C ATOM 370 C TYR A 24 15.679 5.010 2.203 1.00 0.34 C ATOM 371 O TYR A 24 16.813 5.049 1.741 1.00 0.40 O ATOM 372 CB TYR A 24 14.941 2.941 3.450 1.00 0.46 C ATOM 373 CG TYR A 24 14.846 2.275 4.805 1.00 0.86 C ATOM 374 CD1 TYR A 24 15.900 2.360 5.707 1.00 1.52 C ATOM 375 CD2 TYR A 24 13.712 1.581 5.192 1.00 1.67 C ATOM 376 CE1 TYR A 24 15.829 1.766 6.950 1.00 1.83 C ATOM 377 CE2 TYR A 24 13.635 0.987 6.434 1.00 1.99 C ATOM 378 CZ TYR A 24 14.696 1.079 7.307 1.00 1.72 C ATOM 379 OH TYR A 24 14.618 0.483 8.546 1.00 2.15 O ATOM 0 H TYR A 24 13.494 4.880 4.258 1.00 0.36 H new ATOM 0 HA TYR A 24 16.375 4.392 4.087 1.00 0.39 H new ATOM 0 HB2 TYR A 24 13.966 2.917 2.962 1.00 0.46 H new ATOM 0 HB3 TYR A 24 15.629 2.381 2.816 1.00 0.46 H new ATOM 0 HD1 TYR A 24 16.792 2.902 5.429 1.00 1.52 H new ATOM 0 HD2 TYR A 24 12.877 1.504 4.512 1.00 1.67 H new ATOM 0 HE1 TYR A 24 16.659 1.841 7.637 1.00 1.83 H new ATOM 0 HE2 TYR A 24 12.743 0.450 6.722 1.00 1.99 H new ATOM 0 HH TYR A 24 14.440 -0.475 8.438 1.00 2.15 H new ATOM 389 N ALA A 25 14.635 5.505 1.569 1.00 0.29 N ATOM 390 CA ALA A 25 14.746 6.126 0.257 1.00 0.34 C ATOM 391 C ALA A 25 15.304 7.538 0.366 1.00 0.47 C ATOM 392 O ALA A 25 15.772 8.123 -0.614 1.00 0.58 O ATOM 393 CB ALA A 25 13.383 6.152 -0.405 1.00 0.37 C ATOM 0 H ALA A 25 13.687 5.490 1.944 1.00 0.29 H new ATOM 0 HA ALA A 25 15.436 5.539 -0.350 1.00 0.34 H new ATOM 0 HB1 ALA A 25 13.465 6.617 -1.388 1.00 0.37 H new ATOM 0 HB2 ALA A 25 13.013 5.133 -0.515 1.00 0.37 H new ATOM 0 HB3 ALA A 25 12.690 6.725 0.211 1.00 0.37 H new ATOM 399 N GLY A 26 15.245 8.086 1.570 1.00 0.49 N ATOM 400 CA GLY A 26 15.781 9.409 1.810 1.00 0.64 C ATOM 401 C GLY A 26 17.296 9.403 1.884 1.00 0.75 C ATOM 402 O GLY A 26 17.926 10.451 2.031 1.00 0.96 O ATOM 0 H GLY A 26 14.834 7.636 2.388 1.00 0.49 H new ATOM 0 HA2 GLY A 26 15.460 10.080 1.014 1.00 0.64 H new ATOM 0 HA3 GLY A 26 15.374 9.802 2.742 1.00 0.64 H new ATOM 503 N THR A 33 14.022 8.354 -3.674 1.00 0.67 N ATOM 504 CA THR A 33 13.981 7.045 -4.299 1.00 0.46 C ATOM 505 C THR A 33 14.842 6.076 -3.509 1.00 0.38 C ATOM 506 O THR A 33 15.920 6.433 -3.039 1.00 0.44 O ATOM 507 CB THR A 33 14.518 7.118 -5.738 1.00 0.45 C ATOM 508 OG1 THR A 33 14.996 8.439 -6.020 1.00 0.66 O ATOM 509 CG2 THR A 33 13.478 6.709 -6.773 1.00 0.43 C ATOM 0 HA THR A 33 12.946 6.704 -4.316 1.00 0.46 H new ATOM 0 HB THR A 33 15.340 6.405 -5.808 1.00 0.45 H new ATOM 0 HG1 THR A 33 15.832 8.383 -6.529 1.00 0.66 H new ATOM 0 HG21 THR A 33 13.911 6.779 -7.771 1.00 0.43 H new ATOM 0 HG22 THR A 33 13.162 5.683 -6.586 1.00 0.43 H new ATOM 0 HG23 THR A 33 12.616 7.372 -6.704 1.00 0.43 H new ATOM 517 N LEU A 34 14.360 4.858 -3.370 1.00 0.32 N ATOM 518 CA LEU A 34 15.094 3.813 -2.686 1.00 0.30 C ATOM 519 C LEU A 34 16.021 3.147 -3.671 1.00 0.31 C ATOM 520 O LEU A 34 15.593 2.388 -4.543 1.00 0.34 O ATOM 521 CB LEU A 34 14.099 2.817 -2.084 1.00 0.30 C ATOM 522 CG LEU A 34 14.130 2.702 -0.562 1.00 0.29 C ATOM 523 CD1 LEU A 34 12.894 1.983 -0.049 1.00 0.45 C ATOM 524 CD2 LEU A 34 15.379 1.979 -0.113 1.00 0.28 C ATOM 0 H LEU A 34 13.451 4.565 -3.727 1.00 0.32 H new ATOM 0 HA LEU A 34 15.694 4.224 -1.874 1.00 0.30 H new ATOM 0 HB2 LEU A 34 13.093 3.104 -2.390 1.00 0.30 H new ATOM 0 HB3 LEU A 34 14.293 1.833 -2.510 1.00 0.30 H new ATOM 0 HG LEU A 34 14.139 3.709 -0.146 1.00 0.29 H new ATOM 0 HD11 LEU A 34 12.939 1.913 1.038 1.00 0.45 H new ATOM 0 HD12 LEU A 34 12.003 2.538 -0.341 1.00 0.45 H new ATOM 0 HD13 LEU A 34 12.853 0.981 -0.476 1.00 0.45 H new ATOM 0 HD21 LEU A 34 15.386 1.905 0.974 1.00 0.28 H new ATOM 0 HD22 LEU A 34 15.395 0.978 -0.545 1.00 0.28 H new ATOM 0 HD23 LEU A 34 16.258 2.531 -0.445 1.00 0.28 H new ATOM 536 N SER A 35 17.293 3.479 -3.538 1.00 0.32 N ATOM 537 CA SER A 35 18.301 3.058 -4.485 1.00 0.33 C ATOM 538 C SER A 35 18.528 1.558 -4.392 1.00 0.32 C ATOM 539 O SER A 35 17.988 0.899 -3.504 1.00 0.30 O ATOM 540 CB SER A 35 19.596 3.840 -4.254 1.00 0.37 C ATOM 541 OG SER A 35 20.515 3.648 -5.317 1.00 0.40 O ATOM 0 H SER A 35 17.652 4.047 -2.771 1.00 0.32 H new ATOM 0 HA SER A 35 17.953 3.273 -5.495 1.00 0.33 H new ATOM 0 HB2 SER A 35 19.369 4.901 -4.155 1.00 0.37 H new ATOM 0 HB3 SER A 35 20.052 3.523 -3.316 1.00 0.37 H new ATOM 0 HG SER A 35 21.331 4.162 -5.141 1.00 0.40 H new ATOM 547 N LYS A 36 19.330 1.029 -5.308 1.00 0.38 N ATOM 548 CA LYS A 36 19.492 -0.408 -5.444 1.00 0.42 C ATOM 549 C LYS A 36 19.882 -1.041 -4.119 1.00 0.36 C ATOM 550 O LYS A 36 19.117 -1.813 -3.550 1.00 0.35 O ATOM 551 CB LYS A 36 20.541 -0.730 -6.512 1.00 0.53 C ATOM 552 CG LYS A 36 20.610 -2.206 -6.870 1.00 0.62 C ATOM 553 CD LYS A 36 19.312 -2.689 -7.496 1.00 0.66 C ATOM 554 CE LYS A 36 19.389 -4.154 -7.904 1.00 0.61 C ATOM 555 NZ LYS A 36 20.392 -4.389 -8.976 1.00 0.65 N ATOM 0 H LYS A 36 19.879 1.579 -5.969 1.00 0.38 H new ATOM 0 HA LYS A 36 18.534 -0.826 -5.753 1.00 0.42 H new ATOM 0 HB2 LYS A 36 20.320 -0.156 -7.412 1.00 0.53 H new ATOM 0 HB3 LYS A 36 21.519 -0.404 -6.159 1.00 0.53 H new ATOM 0 HG2 LYS A 36 21.434 -2.375 -7.563 1.00 0.62 H new ATOM 0 HG3 LYS A 36 20.822 -2.789 -5.974 1.00 0.62 H new ATOM 0 HD2 LYS A 36 18.495 -2.552 -6.788 1.00 0.66 H new ATOM 0 HD3 LYS A 36 19.082 -2.080 -8.370 1.00 0.66 H new ATOM 0 HE2 LYS A 36 19.643 -4.759 -7.033 1.00 0.61 H new ATOM 0 HE3 LYS A 36 18.409 -4.485 -8.247 1.00 0.61 H new ATOM 0 HZ1 LYS A 36 20.281 -5.353 -9.350 1.00 0.65 H new ATOM 0 HZ2 LYS A 36 20.248 -3.701 -9.743 1.00 0.65 H new ATOM 0 HZ3 LYS A 36 21.350 -4.277 -8.586 1.00 0.65 H new ATOM 569 N THR A 37 21.035 -0.663 -3.603 1.00 0.37 N ATOM 570 CA THR A 37 21.563 -1.265 -2.391 1.00 0.38 C ATOM 571 C THR A 37 20.702 -0.934 -1.177 1.00 0.36 C ATOM 572 O THR A 37 20.584 -1.742 -0.248 1.00 0.38 O ATOM 573 CB THR A 37 22.993 -0.796 -2.130 1.00 0.44 C ATOM 574 OG1 THR A 37 23.801 -1.030 -3.292 1.00 0.48 O ATOM 575 CG2 THR A 37 23.575 -1.534 -0.933 1.00 0.49 C ATOM 0 H THR A 37 21.628 0.062 -4.006 1.00 0.37 H new ATOM 0 HA THR A 37 21.554 -2.344 -2.544 1.00 0.38 H new ATOM 0 HB THR A 37 22.982 0.272 -1.913 1.00 0.44 H new ATOM 0 HG1 THR A 37 24.717 -0.726 -3.120 1.00 0.48 H new ATOM 0 HG21 THR A 37 24.595 -1.192 -0.756 1.00 0.49 H new ATOM 0 HG22 THR A 37 22.967 -1.334 -0.051 1.00 0.49 H new ATOM 0 HG23 THR A 37 23.581 -2.605 -1.134 1.00 0.49 H new ATOM 583 N GLU A 38 20.097 0.245 -1.189 1.00 0.34 N ATOM 584 CA GLU A 38 19.203 0.640 -0.120 1.00 0.34 C ATOM 585 C GLU A 38 18.046 -0.342 -0.109 1.00 0.34 C ATOM 586 O GLU A 38 17.781 -1.001 0.887 1.00 0.48 O ATOM 587 CB GLU A 38 18.719 2.070 -0.333 1.00 0.35 C ATOM 588 CG GLU A 38 19.859 3.021 -0.653 1.00 0.47 C ATOM 589 CD GLU A 38 19.412 4.442 -0.909 1.00 1.27 C ATOM 590 OE1 GLU A 38 18.262 4.638 -1.343 1.00 2.16 O ATOM 591 OE2 GLU A 38 20.232 5.362 -0.707 1.00 1.96 O ATOM 0 H GLU A 38 20.211 0.940 -1.927 1.00 0.34 H new ATOM 0 HA GLU A 38 19.714 0.620 0.842 1.00 0.34 H new ATOM 0 HB2 GLU A 38 17.994 2.089 -1.146 1.00 0.35 H new ATOM 0 HB3 GLU A 38 18.202 2.414 0.563 1.00 0.35 H new ATOM 0 HG2 GLU A 38 20.568 3.016 0.175 1.00 0.47 H new ATOM 0 HG3 GLU A 38 20.391 2.653 -1.530 1.00 0.47 H new ATOM 598 N PHE A 39 17.440 -0.522 -1.268 1.00 0.29 N ATOM 599 CA PHE A 39 16.307 -1.409 -1.400 1.00 0.31 C ATOM 600 C PHE A 39 16.690 -2.816 -0.995 1.00 0.28 C ATOM 601 O PHE A 39 15.943 -3.494 -0.309 1.00 0.27 O ATOM 602 CB PHE A 39 15.804 -1.407 -2.836 1.00 0.53 C ATOM 603 CG PHE A 39 14.493 -2.105 -2.998 1.00 0.81 C ATOM 604 CD1 PHE A 39 13.380 -1.664 -2.306 1.00 1.76 C ATOM 605 CD2 PHE A 39 14.374 -3.204 -3.828 1.00 1.78 C ATOM 606 CE1 PHE A 39 12.170 -2.306 -2.440 1.00 2.62 C ATOM 607 CE2 PHE A 39 13.167 -3.852 -3.965 1.00 2.66 C ATOM 608 CZ PHE A 39 12.061 -3.402 -3.271 1.00 2.88 C ATOM 0 H PHE A 39 17.718 -0.061 -2.134 1.00 0.29 H new ATOM 0 HA PHE A 39 15.513 -1.055 -0.743 1.00 0.31 H new ATOM 0 HB2 PHE A 39 15.705 -0.377 -3.179 1.00 0.53 H new ATOM 0 HB3 PHE A 39 16.546 -1.886 -3.475 1.00 0.53 H new ATOM 0 HD1 PHE A 39 13.461 -0.807 -1.654 1.00 1.76 H new ATOM 0 HD2 PHE A 39 15.236 -3.558 -4.374 1.00 1.78 H new ATOM 0 HE1 PHE A 39 11.307 -1.952 -1.895 1.00 2.62 H new ATOM 0 HE2 PHE A 39 13.085 -4.711 -4.614 1.00 2.66 H new ATOM 0 HZ PHE A 39 11.112 -3.907 -3.379 1.00 2.88 H new ATOM 618 N LEU A 40 17.872 -3.232 -1.410 1.00 0.33 N ATOM 619 CA LEU A 40 18.372 -4.555 -1.090 1.00 0.37 C ATOM 620 C LEU A 40 18.412 -4.760 0.419 1.00 0.40 C ATOM 621 O LEU A 40 17.909 -5.754 0.941 1.00 0.43 O ATOM 622 CB LEU A 40 19.777 -4.742 -1.676 1.00 0.43 C ATOM 623 CG LEU A 40 19.916 -4.496 -3.185 1.00 0.50 C ATOM 624 CD1 LEU A 40 21.097 -5.264 -3.753 1.00 1.07 C ATOM 625 CD2 LEU A 40 18.633 -4.838 -3.926 1.00 0.46 C ATOM 0 H LEU A 40 18.508 -2.667 -1.974 1.00 0.33 H new ATOM 0 HA LEU A 40 17.699 -5.293 -1.527 1.00 0.37 H new ATOM 0 HB2 LEU A 40 20.459 -4.070 -1.154 1.00 0.43 H new ATOM 0 HB3 LEU A 40 20.106 -5.759 -1.462 1.00 0.43 H new ATOM 0 HG LEU A 40 20.103 -3.432 -3.330 1.00 0.50 H new ATOM 0 HD11 LEU A 40 21.174 -5.073 -4.823 1.00 1.07 H new ATOM 0 HD12 LEU A 40 22.013 -4.940 -3.260 1.00 1.07 H new ATOM 0 HD13 LEU A 40 20.952 -6.331 -3.584 1.00 1.07 H new ATOM 0 HD21 LEU A 40 18.768 -4.652 -4.992 1.00 0.46 H new ATOM 0 HD22 LEU A 40 18.391 -5.889 -3.769 1.00 0.46 H new ATOM 0 HD23 LEU A 40 17.819 -4.218 -3.549 1.00 0.46 H new ATOM 637 N SER A 41 18.977 -3.793 1.117 1.00 0.42 N ATOM 638 CA SER A 41 19.141 -3.892 2.553 1.00 0.52 C ATOM 639 C SER A 41 17.795 -3.770 3.268 1.00 0.45 C ATOM 640 O SER A 41 17.501 -4.530 4.184 1.00 0.47 O ATOM 641 CB SER A 41 20.098 -2.798 3.034 1.00 0.67 C ATOM 642 OG SER A 41 21.288 -2.789 2.256 1.00 1.40 O ATOM 0 H SER A 41 19.331 -2.927 0.710 1.00 0.42 H new ATOM 0 HA SER A 41 19.559 -4.870 2.790 1.00 0.52 H new ATOM 0 HB2 SER A 41 19.609 -1.826 2.969 1.00 0.67 H new ATOM 0 HB3 SER A 41 20.345 -2.961 4.083 1.00 0.67 H new ATOM 0 HG SER A 41 21.104 -2.387 1.382 1.00 1.40 H new ATOM 648 N PHE A 42 16.976 -2.836 2.804 1.00 0.42 N ATOM 649 CA PHE A 42 15.738 -2.458 3.483 1.00 0.46 C ATOM 650 C PHE A 42 14.573 -3.335 3.091 1.00 0.29 C ATOM 651 O PHE A 42 13.587 -3.426 3.814 1.00 0.43 O ATOM 652 CB PHE A 42 15.511 -0.984 3.246 1.00 0.80 C ATOM 653 CG PHE A 42 16.740 -0.237 3.703 1.00 1.89 C ATOM 654 CD1 PHE A 42 17.336 -0.574 4.915 1.00 2.69 C ATOM 655 CD2 PHE A 42 17.344 0.725 2.919 1.00 2.77 C ATOM 656 CE1 PHE A 42 18.496 0.040 5.331 1.00 3.73 C ATOM 657 CE2 PHE A 42 18.515 1.332 3.326 1.00 3.80 C ATOM 658 CZ PHE A 42 19.089 0.990 4.534 1.00 4.13 C ATOM 0 H PHE A 42 17.149 -2.316 1.944 1.00 0.42 H new ATOM 0 HA PHE A 42 15.829 -2.625 4.556 1.00 0.46 H new ATOM 0 HB2 PHE A 42 15.322 -0.794 2.190 1.00 0.80 H new ATOM 0 HB3 PHE A 42 14.633 -0.642 3.794 1.00 0.80 H new ATOM 0 HD1 PHE A 42 16.881 -1.329 5.539 1.00 2.69 H new ATOM 0 HD2 PHE A 42 16.896 1.006 1.977 1.00 2.77 H new ATOM 0 HE1 PHE A 42 18.938 -0.224 6.280 1.00 3.73 H new ATOM 0 HE2 PHE A 42 18.983 2.076 2.698 1.00 3.80 H new ATOM 0 HZ PHE A 42 20.003 1.469 4.853 1.00 4.13 H new ATOM 668 N MET A 43 14.678 -3.996 1.963 1.00 0.26 N ATOM 669 CA MET A 43 13.736 -5.044 1.650 1.00 0.29 C ATOM 670 C MET A 43 14.150 -6.324 2.354 1.00 0.29 C ATOM 671 O MET A 43 13.343 -7.204 2.586 1.00 0.37 O ATOM 672 CB MET A 43 13.635 -5.279 0.156 1.00 0.39 C ATOM 673 CG MET A 43 12.532 -6.262 -0.213 1.00 0.62 C ATOM 674 SD MET A 43 12.186 -6.353 -1.977 1.00 1.22 S ATOM 675 CE MET A 43 10.831 -7.526 -1.972 1.00 2.26 C ATOM 0 H MET A 43 15.395 -3.831 1.256 1.00 0.26 H new ATOM 0 HA MET A 43 12.752 -4.732 2.000 1.00 0.29 H new ATOM 0 HB2 MET A 43 13.451 -4.329 -0.345 1.00 0.39 H new ATOM 0 HB3 MET A 43 14.589 -5.655 -0.213 1.00 0.39 H new ATOM 0 HG2 MET A 43 12.810 -7.254 0.143 1.00 0.62 H new ATOM 0 HG3 MET A 43 11.619 -5.980 0.311 1.00 0.62 H new ATOM 0 HE1 MET A 43 10.130 -7.276 -2.768 1.00 2.26 H new ATOM 0 HE2 MET A 43 11.220 -8.531 -2.133 1.00 2.26 H new ATOM 0 HE3 MET A 43 10.318 -7.485 -1.011 1.00 2.26 H new ATOM 685 N ASN A 44 15.419 -6.430 2.701 1.00 0.29 N ATOM 686 CA ASN A 44 15.886 -7.579 3.457 1.00 0.33 C ATOM 687 C ASN A 44 15.778 -7.311 4.956 1.00 0.32 C ATOM 688 O ASN A 44 16.012 -8.195 5.778 1.00 0.39 O ATOM 689 CB ASN A 44 17.315 -7.922 3.051 1.00 0.42 C ATOM 690 CG ASN A 44 17.834 -9.201 3.677 1.00 1.05 C ATOM 691 OD1 ASN A 44 17.607 -10.291 3.155 1.00 1.54 O ATOM 692 ND2 ASN A 44 18.568 -9.078 4.772 1.00 1.83 N ATOM 0 H ASN A 44 16.139 -5.743 2.475 1.00 0.29 H new ATOM 0 HA ASN A 44 15.255 -8.438 3.231 1.00 0.33 H new ATOM 0 HB2 ASN A 44 17.363 -8.013 1.966 1.00 0.42 H new ATOM 0 HB3 ASN A 44 17.971 -7.098 3.331 1.00 0.42 H new ATOM 0 HD21 ASN A 44 18.968 -9.906 5.213 1.00 1.83 H new ATOM 0 HD22 ASN A 44 18.733 -8.155 5.174 1.00 1.83 H new ATOM 699 N THR A 45 15.419 -6.087 5.314 1.00 0.26 N ATOM 700 CA THR A 45 15.140 -5.766 6.707 1.00 0.29 C ATOM 701 C THR A 45 13.647 -5.648 6.929 1.00 0.28 C ATOM 702 O THR A 45 13.056 -6.396 7.705 1.00 0.34 O ATOM 703 CB THR A 45 15.801 -4.453 7.167 1.00 0.29 C ATOM 704 OG1 THR A 45 15.488 -3.389 6.262 1.00 0.34 O ATOM 705 CG2 THR A 45 17.305 -4.606 7.281 1.00 0.34 C ATOM 0 H THR A 45 15.315 -5.306 4.667 1.00 0.26 H new ATOM 0 HA THR A 45 15.560 -6.582 7.295 1.00 0.29 H new ATOM 0 HB THR A 45 15.404 -4.211 8.153 1.00 0.29 H new ATOM 0 HG1 THR A 45 15.628 -2.528 6.709 1.00 0.34 H new ATOM 0 HG21 THR A 45 17.743 -3.663 7.608 1.00 0.34 H new ATOM 0 HG22 THR A 45 17.537 -5.385 8.007 1.00 0.34 H new ATOM 0 HG23 THR A 45 17.717 -4.881 6.310 1.00 0.34 H new ATOM 713 N GLU A 46 13.040 -4.715 6.213 1.00 0.23 N ATOM 714 CA GLU A 46 11.639 -4.423 6.388 1.00 0.25 C ATOM 715 C GLU A 46 10.788 -5.420 5.634 1.00 0.25 C ATOM 716 O GLU A 46 9.605 -5.541 5.891 1.00 0.34 O ATOM 717 CB GLU A 46 11.301 -3.012 5.921 1.00 0.29 C ATOM 718 CG GLU A 46 12.265 -1.945 6.397 1.00 0.58 C ATOM 719 CD GLU A 46 12.513 -1.973 7.894 1.00 1.17 C ATOM 720 OE1 GLU A 46 11.548 -1.846 8.674 1.00 1.70 O ATOM 721 OE2 GLU A 46 13.688 -2.093 8.297 1.00 1.68 O ATOM 0 H GLU A 46 13.504 -4.148 5.503 1.00 0.23 H new ATOM 0 HA GLU A 46 11.424 -4.497 7.454 1.00 0.25 H new ATOM 0 HB2 GLU A 46 11.275 -3.000 4.831 1.00 0.29 H new ATOM 0 HB3 GLU A 46 10.299 -2.759 6.267 1.00 0.29 H new ATOM 0 HG2 GLU A 46 13.215 -2.068 5.878 1.00 0.58 H new ATOM 0 HG3 GLU A 46 11.875 -0.965 6.120 1.00 0.58 H new ATOM 728 N LEU A 47 11.373 -6.115 4.683 1.00 0.25 N ATOM 729 CA LEU A 47 10.614 -7.127 3.957 1.00 0.26 C ATOM 730 C LEU A 47 11.297 -8.478 3.992 1.00 0.28 C ATOM 731 O LEU A 47 11.090 -9.315 3.115 1.00 0.30 O ATOM 732 CB LEU A 47 10.382 -6.674 2.528 1.00 0.26 C ATOM 733 CG LEU A 47 9.499 -5.438 2.406 1.00 0.27 C ATOM 734 CD1 LEU A 47 9.455 -4.950 0.973 1.00 0.32 C ATOM 735 CD2 LEU A 47 8.102 -5.750 2.921 1.00 0.27 C ATOM 0 H LEU A 47 12.346 -6.008 4.395 1.00 0.25 H new ATOM 0 HA LEU A 47 9.650 -7.245 4.453 1.00 0.26 H new ATOM 0 HB2 LEU A 47 11.345 -6.467 2.062 1.00 0.26 H new ATOM 0 HB3 LEU A 47 9.926 -7.491 1.968 1.00 0.26 H new ATOM 0 HG LEU A 47 9.923 -4.639 3.014 1.00 0.27 H new ATOM 0 HD11 LEU A 47 8.819 -4.067 0.909 1.00 0.32 H new ATOM 0 HD12 LEU A 47 10.463 -4.696 0.644 1.00 0.32 H new ATOM 0 HD13 LEU A 47 9.051 -5.735 0.334 1.00 0.32 H new ATOM 0 HD21 LEU A 47 7.475 -4.863 2.832 1.00 0.27 H new ATOM 0 HD22 LEU A 47 7.670 -6.560 2.334 1.00 0.27 H new ATOM 0 HD23 LEU A 47 8.159 -6.050 3.967 1.00 0.27 H new ATOM 747 N ALA A 48 12.133 -8.666 4.998 1.00 0.32 N ATOM 748 CA ALA A 48 12.798 -9.935 5.235 1.00 0.36 C ATOM 749 C ALA A 48 11.820 -11.110 5.246 1.00 0.39 C ATOM 750 O ALA A 48 12.171 -12.213 4.829 1.00 0.44 O ATOM 751 CB ALA A 48 13.556 -9.864 6.543 1.00 0.41 C ATOM 0 H ALA A 48 12.370 -7.941 5.675 1.00 0.32 H new ATOM 0 HA ALA A 48 13.491 -10.112 4.413 1.00 0.36 H new ATOM 0 HB1 ALA A 48 14.057 -10.815 6.725 1.00 0.41 H new ATOM 0 HB2 ALA A 48 14.298 -9.067 6.491 1.00 0.41 H new ATOM 0 HB3 ALA A 48 12.860 -9.659 7.356 1.00 0.41 H new ATOM 757 N ALA A 49 10.600 -10.867 5.714 1.00 0.38 N ATOM 758 CA ALA A 49 9.554 -11.888 5.726 1.00 0.41 C ATOM 759 C ALA A 49 9.302 -12.423 4.325 1.00 0.41 C ATOM 760 O ALA A 49 9.132 -13.626 4.118 1.00 0.47 O ATOM 761 CB ALA A 49 8.268 -11.309 6.294 1.00 0.44 C ATOM 0 H ALA A 49 10.308 -9.966 6.093 1.00 0.38 H new ATOM 0 HA ALA A 49 9.889 -12.712 6.356 1.00 0.41 H new ATOM 0 HB1 ALA A 49 7.494 -12.077 6.299 1.00 0.44 H new ATOM 0 HB2 ALA A 49 8.443 -10.964 7.313 1.00 0.44 H new ATOM 0 HB3 ALA A 49 7.943 -10.471 5.678 1.00 0.44 H new ATOM 767 N PHE A 50 9.289 -11.516 3.369 1.00 0.36 N ATOM 768 CA PHE A 50 9.036 -11.855 1.983 1.00 0.37 C ATOM 769 C PHE A 50 10.326 -12.287 1.299 1.00 0.38 C ATOM 770 O PHE A 50 10.370 -13.302 0.602 1.00 0.44 O ATOM 771 CB PHE A 50 8.463 -10.639 1.270 1.00 0.35 C ATOM 772 CG PHE A 50 7.816 -10.956 -0.047 1.00 0.70 C ATOM 773 CD1 PHE A 50 6.538 -11.488 -0.090 1.00 1.32 C ATOM 774 CD2 PHE A 50 8.478 -10.714 -1.240 1.00 1.63 C ATOM 775 CE1 PHE A 50 5.932 -11.775 -1.297 1.00 1.66 C ATOM 776 CE2 PHE A 50 7.875 -11.000 -2.451 1.00 2.09 C ATOM 777 CZ PHE A 50 6.602 -11.530 -2.478 1.00 1.80 C ATOM 0 H PHE A 50 9.454 -10.523 3.531 1.00 0.36 H new ATOM 0 HA PHE A 50 8.325 -12.680 1.940 1.00 0.37 H new ATOM 0 HB2 PHE A 50 7.729 -10.162 1.919 1.00 0.35 H new ATOM 0 HB3 PHE A 50 9.262 -9.916 1.107 1.00 0.35 H new ATOM 0 HD1 PHE A 50 6.009 -11.681 0.832 1.00 1.32 H new ATOM 0 HD2 PHE A 50 9.475 -10.298 -1.224 1.00 1.63 H new ATOM 0 HE1 PHE A 50 4.935 -12.191 -1.317 1.00 1.66 H new ATOM 0 HE2 PHE A 50 8.400 -10.809 -3.375 1.00 2.09 H new ATOM 0 HZ PHE A 50 6.130 -11.753 -3.423 1.00 1.80 H new ATOM 787 N THR A 51 11.365 -11.498 1.520 1.00 0.36 N ATOM 788 CA THR A 51 12.667 -11.712 0.919 1.00 0.40 C ATOM 789 C THR A 51 13.221 -13.098 1.232 1.00 0.45 C ATOM 790 O THR A 51 13.503 -13.876 0.326 1.00 0.54 O ATOM 791 CB THR A 51 13.643 -10.642 1.427 1.00 0.39 C ATOM 792 OG1 THR A 51 13.206 -9.349 0.995 1.00 0.39 O ATOM 793 CG2 THR A 51 15.062 -10.903 0.945 1.00 0.49 C ATOM 0 H THR A 51 11.325 -10.681 2.130 1.00 0.36 H new ATOM 0 HA THR A 51 12.552 -11.639 -0.162 1.00 0.40 H new ATOM 0 HB THR A 51 13.653 -10.682 2.516 1.00 0.39 H new ATOM 0 HG1 THR A 51 13.424 -8.684 1.681 1.00 0.39 H new ATOM 0 HG21 THR A 51 15.724 -10.125 1.325 1.00 0.49 H new ATOM 0 HG22 THR A 51 15.397 -11.874 1.309 1.00 0.49 H new ATOM 0 HG23 THR A 51 15.083 -10.897 -0.145 1.00 0.49 H new ATOM 801 N LYS A 52 13.331 -13.418 2.517 1.00 0.48 N ATOM 802 CA LYS A 52 13.967 -14.661 2.939 1.00 0.60 C ATOM 803 C LYS A 52 13.144 -15.873 2.535 1.00 0.69 C ATOM 804 O LYS A 52 13.614 -17.009 2.600 1.00 0.84 O ATOM 805 CB LYS A 52 14.175 -14.678 4.451 1.00 0.70 C ATOM 806 CG LYS A 52 15.137 -13.613 4.952 1.00 0.78 C ATOM 807 CD LYS A 52 16.430 -13.618 4.157 1.00 1.07 C ATOM 808 CE LYS A 52 17.520 -12.828 4.857 1.00 1.24 C ATOM 809 NZ LYS A 52 18.700 -12.623 3.979 1.00 1.82 N ATOM 0 H LYS A 52 12.989 -12.836 3.282 1.00 0.48 H new ATOM 0 HA LYS A 52 14.934 -14.711 2.438 1.00 0.60 H new ATOM 0 HB2 LYS A 52 13.211 -14.543 4.942 1.00 0.70 H new ATOM 0 HB3 LYS A 52 14.548 -15.659 4.746 1.00 0.70 H new ATOM 0 HG2 LYS A 52 14.667 -12.632 4.879 1.00 0.78 H new ATOM 0 HG3 LYS A 52 15.355 -13.784 6.006 1.00 0.78 H new ATOM 0 HD2 LYS A 52 16.763 -14.645 4.009 1.00 1.07 H new ATOM 0 HD3 LYS A 52 16.251 -13.195 3.168 1.00 1.07 H new ATOM 0 HE2 LYS A 52 17.126 -11.861 5.168 1.00 1.24 H new ATOM 0 HE3 LYS A 52 17.826 -13.353 5.762 1.00 1.24 H new ATOM 0 HZ1 LYS A 52 19.555 -12.530 4.563 1.00 1.82 H new ATOM 0 HZ2 LYS A 52 18.804 -13.438 3.341 1.00 1.82 H new ATOM 0 HZ3 LYS A 52 18.568 -11.758 3.417 1.00 1.82 H new ATOM 902 N GLY A 58 19.084 -11.659 -5.343 1.00 0.67 N ATOM 903 CA GLY A 58 18.646 -11.614 -6.727 1.00 0.56 C ATOM 904 C GLY A 58 17.159 -11.394 -6.871 1.00 0.49 C ATOM 905 O GLY A 58 16.695 -10.913 -7.899 1.00 0.48 O ATOM 0 HA2 GLY A 58 19.177 -10.815 -7.244 1.00 0.56 H new ATOM 0 HA3 GLY A 58 18.918 -12.548 -7.219 1.00 0.56 H new ATOM 909 N VAL A 59 16.409 -11.731 -5.839 1.00 0.52 N ATOM 910 CA VAL A 59 14.972 -11.552 -5.872 1.00 0.52 C ATOM 911 C VAL A 59 14.602 -10.083 -5.786 1.00 0.49 C ATOM 912 O VAL A 59 13.729 -9.608 -6.512 1.00 0.49 O ATOM 913 CB VAL A 59 14.273 -12.336 -4.741 1.00 0.61 C ATOM 914 CG1 VAL A 59 14.892 -12.005 -3.394 1.00 0.65 C ATOM 915 CG2 VAL A 59 12.782 -12.048 -4.727 1.00 0.66 C ATOM 0 H VAL A 59 16.770 -12.128 -4.972 1.00 0.52 H new ATOM 0 HA VAL A 59 14.625 -11.948 -6.827 1.00 0.52 H new ATOM 0 HB VAL A 59 14.414 -13.400 -4.931 1.00 0.61 H new ATOM 0 HG11 VAL A 59 14.384 -12.569 -2.612 1.00 0.65 H new ATOM 0 HG12 VAL A 59 15.949 -12.271 -3.404 1.00 0.65 H new ATOM 0 HG13 VAL A 59 14.788 -10.938 -3.198 1.00 0.65 H new ATOM 0 HG21 VAL A 59 12.310 -12.611 -3.922 1.00 0.66 H new ATOM 0 HG22 VAL A 59 12.619 -10.982 -4.568 1.00 0.66 H new ATOM 0 HG23 VAL A 59 12.345 -12.344 -5.681 1.00 0.66 H new ATOM 925 N LEU A 60 15.290 -9.361 -4.922 1.00 0.48 N ATOM 926 CA LEU A 60 15.048 -7.939 -4.767 1.00 0.46 C ATOM 927 C LEU A 60 15.518 -7.229 -6.020 1.00 0.43 C ATOM 928 O LEU A 60 15.077 -6.126 -6.341 1.00 0.41 O ATOM 929 CB LEU A 60 15.790 -7.386 -3.554 1.00 0.48 C ATOM 930 CG LEU A 60 15.844 -8.323 -2.345 1.00 0.51 C ATOM 931 CD1 LEU A 60 16.617 -7.686 -1.205 1.00 0.51 C ATOM 932 CD2 LEU A 60 14.444 -8.697 -1.897 1.00 0.52 C ATOM 0 H LEU A 60 16.021 -9.735 -4.317 1.00 0.48 H new ATOM 0 HA LEU A 60 13.982 -7.774 -4.613 1.00 0.46 H new ATOM 0 HB2 LEU A 60 16.810 -7.142 -3.851 1.00 0.48 H new ATOM 0 HB3 LEU A 60 15.315 -6.453 -3.251 1.00 0.48 H new ATOM 0 HG LEU A 60 16.364 -9.233 -2.643 1.00 0.51 H new ATOM 0 HD11 LEU A 60 16.643 -8.369 -0.356 1.00 0.51 H new ATOM 0 HD12 LEU A 60 17.635 -7.473 -1.530 1.00 0.51 H new ATOM 0 HD13 LEU A 60 16.129 -6.758 -0.909 1.00 0.51 H new ATOM 0 HD21 LEU A 60 14.503 -9.364 -1.037 1.00 0.52 H new ATOM 0 HD22 LEU A 60 13.897 -7.795 -1.621 1.00 0.52 H new ATOM 0 HD23 LEU A 60 13.924 -9.201 -2.711 1.00 0.52 H new ATOM 944 N ASP A 61 16.419 -7.896 -6.722 1.00 0.46 N ATOM 945 CA ASP A 61 16.924 -7.409 -7.993 1.00 0.46 C ATOM 946 C ASP A 61 15.811 -7.443 -9.022 1.00 0.47 C ATOM 947 O ASP A 61 15.622 -6.503 -9.796 1.00 0.51 O ATOM 948 CB ASP A 61 18.096 -8.269 -8.466 1.00 0.47 C ATOM 949 CG ASP A 61 18.885 -7.623 -9.586 1.00 0.48 C ATOM 950 OD1 ASP A 61 18.446 -7.685 -10.750 1.00 1.19 O ATOM 951 OD2 ASP A 61 19.963 -7.057 -9.305 1.00 1.22 O ATOM 0 H ASP A 61 16.819 -8.787 -6.428 1.00 0.46 H new ATOM 0 HA ASP A 61 17.275 -6.385 -7.868 1.00 0.46 H new ATOM 0 HB2 ASP A 61 18.761 -8.463 -7.624 1.00 0.47 H new ATOM 0 HB3 ASP A 61 17.719 -9.234 -8.803 1.00 0.47 H new ATOM 956 N ARG A 62 15.060 -8.532 -8.990 1.00 0.47 N ATOM 957 CA ARG A 62 13.918 -8.711 -9.867 1.00 0.51 C ATOM 958 C ARG A 62 12.858 -7.672 -9.549 1.00 0.50 C ATOM 959 O ARG A 62 12.258 -7.083 -10.447 1.00 0.56 O ATOM 960 CB ARG A 62 13.331 -10.108 -9.688 1.00 0.55 C ATOM 961 CG ARG A 62 14.368 -11.214 -9.738 1.00 0.55 C ATOM 962 CD ARG A 62 13.737 -12.572 -9.519 1.00 0.62 C ATOM 963 NE ARG A 62 12.671 -12.837 -10.482 1.00 1.45 N ATOM 964 CZ ARG A 62 11.545 -13.490 -10.194 1.00 1.97 C ATOM 965 NH1 ARG A 62 11.348 -13.987 -8.977 1.00 1.66 N ATOM 966 NH2 ARG A 62 10.625 -13.655 -11.132 1.00 3.02 N ATOM 0 H ARG A 62 15.226 -9.314 -8.356 1.00 0.47 H new ATOM 0 HA ARG A 62 14.246 -8.592 -10.900 1.00 0.51 H new ATOM 0 HB2 ARG A 62 12.809 -10.154 -8.732 1.00 0.55 H new ATOM 0 HB3 ARG A 62 12.588 -10.283 -10.466 1.00 0.55 H new ATOM 0 HG2 ARG A 62 14.874 -11.197 -10.703 1.00 0.55 H new ATOM 0 HG3 ARG A 62 15.128 -11.037 -8.977 1.00 0.55 H new ATOM 0 HD2 ARG A 62 14.501 -13.345 -9.601 1.00 0.62 H new ATOM 0 HD3 ARG A 62 13.335 -12.627 -8.507 1.00 0.62 H new ATOM 0 HE ARG A 62 12.796 -12.501 -11.437 1.00 1.45 H new ATOM 0 HH11 ARG A 62 12.061 -13.870 -8.257 1.00 1.66 H new ATOM 0 HH12 ARG A 62 10.484 -14.486 -8.763 1.00 1.66 H new ATOM 0 HH21 ARG A 62 10.780 -13.283 -12.069 1.00 3.02 H new ATOM 0 HH22 ARG A 62 9.762 -14.154 -10.917 1.00 3.02 H new ATOM 980 N MET A 63 12.643 -7.448 -8.255 1.00 0.45 N ATOM 981 CA MET A 63 11.688 -6.446 -7.796 1.00 0.44 C ATOM 982 C MET A 63 12.088 -5.087 -8.310 1.00 0.41 C ATOM 983 O MET A 63 11.301 -4.412 -8.964 1.00 0.42 O ATOM 984 CB MET A 63 11.633 -6.393 -6.277 1.00 0.43 C ATOM 985 CG MET A 63 11.437 -7.750 -5.644 1.00 0.49 C ATOM 986 SD MET A 63 9.803 -8.429 -5.990 1.00 0.64 S ATOM 987 CE MET A 63 9.937 -10.045 -5.240 1.00 1.54 C ATOM 0 H MET A 63 13.119 -7.949 -7.505 1.00 0.45 H new ATOM 0 HA MET A 63 10.705 -6.723 -8.177 1.00 0.44 H new ATOM 0 HB2 MET A 63 12.557 -5.953 -5.901 1.00 0.43 H new ATOM 0 HB3 MET A 63 10.819 -5.735 -5.971 1.00 0.43 H new ATOM 0 HG2 MET A 63 12.200 -8.436 -6.013 1.00 0.49 H new ATOM 0 HG3 MET A 63 11.575 -7.670 -4.566 1.00 0.49 H new ATOM 0 HE1 MET A 63 8.969 -10.545 -5.278 1.00 1.54 H new ATOM 0 HE2 MET A 63 10.674 -10.638 -5.782 1.00 1.54 H new ATOM 0 HE3 MET A 63 10.250 -9.939 -4.201 1.00 1.54 H new ATOM 997 N MET A 64 13.326 -4.704 -8.009 1.00 0.41 N ATOM 998 CA MET A 64 13.866 -3.429 -8.444 1.00 0.42 C ATOM 999 C MET A 64 13.552 -3.175 -9.906 1.00 0.44 C ATOM 1000 O MET A 64 12.890 -2.210 -10.227 1.00 0.41 O ATOM 1001 CB MET A 64 15.379 -3.374 -8.222 1.00 0.55 C ATOM 1002 CG MET A 64 16.038 -2.128 -8.797 1.00 0.65 C ATOM 1003 SD MET A 64 15.378 -0.596 -8.116 1.00 1.87 S ATOM 1004 CE MET A 64 15.738 -0.800 -6.376 1.00 2.41 C ATOM 0 H MET A 64 13.975 -5.268 -7.460 1.00 0.41 H new ATOM 0 HA MET A 64 13.393 -2.650 -7.845 1.00 0.42 H new ATOM 0 HB2 MET A 64 15.582 -3.421 -7.152 1.00 0.55 H new ATOM 0 HB3 MET A 64 15.835 -4.256 -8.672 1.00 0.55 H new ATOM 0 HG2 MET A 64 17.110 -2.171 -8.605 1.00 0.65 H new ATOM 0 HG3 MET A 64 15.908 -2.123 -9.879 1.00 0.65 H new ATOM 0 HE1 MET A 64 16.003 0.165 -5.944 1.00 2.41 H new ATOM 0 HE2 MET A 64 14.860 -1.197 -5.867 1.00 2.41 H new ATOM 0 HE3 MET A 64 16.571 -1.493 -6.256 1.00 2.41 H new ATOM 1014 N LYS A 65 13.967 -4.074 -10.781 1.00 0.52 N ATOM 1015 CA LYS A 65 13.829 -3.832 -12.214 1.00 0.56 C ATOM 1016 C LYS A 65 12.374 -3.923 -12.674 1.00 0.54 C ATOM 1017 O LYS A 65 12.008 -3.365 -13.709 1.00 0.60 O ATOM 1018 CB LYS A 65 14.721 -4.777 -13.018 1.00 0.66 C ATOM 1019 CG LYS A 65 16.206 -4.581 -12.740 1.00 0.79 C ATOM 1020 CD LYS A 65 16.616 -3.110 -12.816 1.00 0.86 C ATOM 1021 CE LYS A 65 16.309 -2.497 -14.175 1.00 1.57 C ATOM 1022 NZ LYS A 65 16.633 -1.043 -14.220 1.00 2.49 N ATOM 0 H LYS A 65 14.396 -4.966 -10.534 1.00 0.52 H new ATOM 0 HA LYS A 65 14.160 -2.811 -12.401 1.00 0.56 H new ATOM 0 HB2 LYS A 65 14.448 -5.807 -12.789 1.00 0.66 H new ATOM 0 HB3 LYS A 65 14.534 -4.626 -14.081 1.00 0.66 H new ATOM 0 HG2 LYS A 65 16.444 -4.973 -11.751 1.00 0.79 H new ATOM 0 HG3 LYS A 65 16.788 -5.157 -13.459 1.00 0.79 H new ATOM 0 HD2 LYS A 65 16.095 -2.549 -12.040 1.00 0.86 H new ATOM 0 HD3 LYS A 65 17.683 -3.021 -12.612 1.00 0.86 H new ATOM 0 HE2 LYS A 65 16.878 -3.019 -14.944 1.00 1.57 H new ATOM 0 HE3 LYS A 65 15.254 -2.640 -14.407 1.00 1.57 H new ATOM 0 HZ1 LYS A 65 16.787 -0.752 -15.206 1.00 2.49 H new ATOM 0 HZ2 LYS A 65 15.843 -0.499 -13.818 1.00 2.49 H new ATOM 0 HZ3 LYS A 65 17.495 -0.862 -13.667 1.00 2.49 H new ATOM 1036 N LYS A 66 11.548 -4.618 -11.906 1.00 0.50 N ATOM 1037 CA LYS A 66 10.116 -4.678 -12.178 1.00 0.52 C ATOM 1038 C LYS A 66 9.456 -3.350 -11.825 1.00 0.48 C ATOM 1039 O LYS A 66 8.634 -2.819 -12.575 1.00 0.55 O ATOM 1040 CB LYS A 66 9.465 -5.785 -11.347 1.00 0.55 C ATOM 1041 CG LYS A 66 7.951 -5.836 -11.481 1.00 0.91 C ATOM 1042 CD LYS A 66 7.286 -6.302 -10.191 1.00 0.96 C ATOM 1043 CE LYS A 66 7.804 -7.655 -9.723 1.00 0.73 C ATOM 1044 NZ LYS A 66 7.438 -8.757 -10.655 1.00 1.47 N ATOM 0 H LYS A 66 11.844 -5.150 -11.087 1.00 0.50 H new ATOM 0 HA LYS A 66 9.980 -4.886 -13.239 1.00 0.52 H new ATOM 0 HB2 LYS A 66 9.881 -6.746 -11.649 1.00 0.55 H new ATOM 0 HB3 LYS A 66 9.724 -5.641 -10.298 1.00 0.55 H new ATOM 0 HG2 LYS A 66 7.576 -4.848 -11.747 1.00 0.91 H new ATOM 0 HG3 LYS A 66 7.680 -6.510 -12.294 1.00 0.91 H new ATOM 0 HD2 LYS A 66 7.457 -5.561 -9.410 1.00 0.96 H new ATOM 0 HD3 LYS A 66 6.208 -6.362 -10.343 1.00 0.96 H new ATOM 0 HE2 LYS A 66 8.889 -7.611 -9.625 1.00 0.73 H new ATOM 0 HE3 LYS A 66 7.403 -7.872 -8.733 1.00 0.73 H new ATOM 0 HZ1 LYS A 66 7.813 -9.657 -10.293 1.00 1.47 H new ATOM 0 HZ2 LYS A 66 6.403 -8.819 -10.730 1.00 1.47 H new ATOM 0 HZ3 LYS A 66 7.842 -8.566 -11.594 1.00 1.47 H new ATOM 1058 N LEU A 67 9.832 -2.829 -10.672 1.00 0.41 N ATOM 1059 CA LEU A 67 9.182 -1.668 -10.088 1.00 0.39 C ATOM 1060 C LEU A 67 9.809 -0.372 -10.566 1.00 0.40 C ATOM 1061 O LEU A 67 9.128 0.646 -10.634 1.00 0.46 O ATOM 1062 CB LEU A 67 9.303 -1.747 -8.582 1.00 0.34 C ATOM 1063 CG LEU A 67 8.891 -3.089 -7.972 1.00 0.33 C ATOM 1064 CD1 LEU A 67 9.356 -3.177 -6.535 1.00 0.30 C ATOM 1065 CD2 LEU A 67 7.388 -3.293 -8.065 1.00 0.37 C ATOM 0 H LEU A 67 10.599 -3.200 -10.111 1.00 0.41 H new ATOM 0 HA LEU A 67 8.137 -1.671 -10.397 1.00 0.39 H new ATOM 0 HB2 LEU A 67 10.336 -1.540 -8.304 1.00 0.34 H new ATOM 0 HB3 LEU A 67 8.690 -0.961 -8.141 1.00 0.34 H new ATOM 0 HG LEU A 67 9.371 -3.885 -8.542 1.00 0.33 H new ATOM 0 HD11 LEU A 67 9.056 -4.137 -6.114 1.00 0.30 H new ATOM 0 HD12 LEU A 67 10.442 -3.088 -6.498 1.00 0.30 H new ATOM 0 HD13 LEU A 67 8.906 -2.370 -5.957 1.00 0.30 H new ATOM 0 HD21 LEU A 67 7.123 -4.254 -7.624 1.00 0.37 H new ATOM 0 HD22 LEU A 67 6.878 -2.494 -7.526 1.00 0.37 H new ATOM 0 HD23 LEU A 67 7.083 -3.277 -9.111 1.00 0.37 H new ATOM 1077 N ASP A 68 11.115 -0.428 -10.849 1.00 0.40 N ATOM 1078 CA ASP A 68 11.894 0.713 -11.349 1.00 0.42 C ATOM 1079 C ASP A 68 11.335 1.181 -12.678 1.00 0.52 C ATOM 1080 O ASP A 68 11.874 0.920 -13.756 1.00 0.56 O ATOM 1081 CB ASP A 68 13.372 0.310 -11.474 1.00 0.43 C ATOM 1082 CG ASP A 68 14.243 1.307 -12.221 1.00 0.46 C ATOM 1083 OD1 ASP A 68 14.314 2.489 -11.815 1.00 1.13 O ATOM 1084 OD2 ASP A 68 14.875 0.900 -13.227 1.00 1.23 O ATOM 0 H ASP A 68 11.669 -1.277 -10.736 1.00 0.40 H new ATOM 0 HA ASP A 68 11.823 1.543 -10.646 1.00 0.42 H new ATOM 0 HB2 ASP A 68 13.782 0.169 -10.474 1.00 0.43 H new ATOM 0 HB3 ASP A 68 13.430 -0.653 -11.981 1.00 0.43 H new ATOM 1089 N THR A 69 10.219 1.849 -12.572 1.00 0.59 N ATOM 1090 CA THR A 69 9.506 2.366 -13.704 1.00 0.74 C ATOM 1091 C THR A 69 10.021 3.762 -14.015 1.00 0.84 C ATOM 1092 O THR A 69 9.792 4.309 -15.094 1.00 0.99 O ATOM 1093 CB THR A 69 7.996 2.380 -13.408 1.00 0.79 C ATOM 1094 OG1 THR A 69 7.246 2.349 -14.630 1.00 0.90 O ATOM 1095 CG2 THR A 69 7.613 3.614 -12.608 1.00 0.83 C ATOM 0 H THR A 69 9.772 2.052 -11.678 1.00 0.59 H new ATOM 0 HA THR A 69 9.669 1.731 -14.575 1.00 0.74 H new ATOM 0 HB THR A 69 7.762 1.493 -12.820 1.00 0.79 H new ATOM 0 HG1 THR A 69 6.288 2.357 -14.426 1.00 0.90 H new ATOM 0 HG21 THR A 69 6.541 3.602 -12.411 1.00 0.83 H new ATOM 0 HG22 THR A 69 8.156 3.618 -11.663 1.00 0.83 H new ATOM 0 HG23 THR A 69 7.867 4.509 -13.176 1.00 0.83 H new ATOM 1103 N ASN A 70 10.736 4.324 -13.048 1.00 0.80 N ATOM 1104 CA ASN A 70 11.438 5.580 -13.237 1.00 0.94 C ATOM 1105 C ASN A 70 12.688 5.313 -14.055 1.00 0.86 C ATOM 1106 O ASN A 70 13.322 6.217 -14.601 1.00 0.97 O ATOM 1107 CB ASN A 70 11.814 6.156 -11.875 1.00 1.01 C ATOM 1108 CG ASN A 70 11.981 7.663 -11.879 1.00 1.25 C ATOM 1109 OD1 ASN A 70 12.361 8.267 -12.884 1.00 1.46 O ATOM 1110 ND2 ASN A 70 11.697 8.284 -10.747 1.00 1.66 N ATOM 0 H ASN A 70 10.843 3.922 -12.117 1.00 0.80 H new ATOM 0 HA ASN A 70 10.805 6.297 -13.759 1.00 0.94 H new ATOM 0 HB2 ASN A 70 11.045 5.886 -11.151 1.00 1.01 H new ATOM 0 HB3 ASN A 70 12.744 5.697 -11.540 1.00 1.01 H new ATOM 0 HD21 ASN A 70 11.790 9.298 -10.684 1.00 1.66 H new ATOM 0 HD22 ASN A 70 11.385 7.749 -9.936 1.00 1.66 H new ATOM 1117 N SER A 71 13.003 4.019 -14.125 1.00 0.70 N ATOM 1118 CA SER A 71 14.084 3.483 -14.933 1.00 0.66 C ATOM 1119 C SER A 71 15.410 4.146 -14.596 1.00 0.61 C ATOM 1120 O SER A 71 16.228 4.425 -15.472 1.00 0.65 O ATOM 1121 CB SER A 71 13.756 3.625 -16.425 1.00 0.82 C ATOM 1122 OG SER A 71 14.700 2.939 -17.232 1.00 1.47 O ATOM 0 H SER A 71 12.497 3.302 -13.606 1.00 0.70 H new ATOM 0 HA SER A 71 14.186 2.422 -14.703 1.00 0.66 H new ATOM 0 HB2 SER A 71 12.757 3.233 -16.618 1.00 0.82 H new ATOM 0 HB3 SER A 71 13.742 4.680 -16.697 1.00 0.82 H new ATOM 0 HG SER A 71 15.606 3.226 -16.992 1.00 1.47 H new ATOM 1128 N ASP A 72 15.623 4.372 -13.316 1.00 0.58 N ATOM 1129 CA ASP A 72 16.846 4.992 -12.848 1.00 0.65 C ATOM 1130 C ASP A 72 17.655 3.987 -12.044 1.00 0.56 C ATOM 1131 O ASP A 72 18.855 4.157 -11.825 1.00 0.66 O ATOM 1132 CB ASP A 72 16.527 6.223 -11.998 1.00 0.80 C ATOM 1133 CG ASP A 72 17.771 6.978 -11.583 1.00 0.93 C ATOM 1134 OD1 ASP A 72 18.391 7.628 -12.450 1.00 1.53 O ATOM 1135 OD2 ASP A 72 18.139 6.925 -10.395 1.00 1.56 O ATOM 0 H ASP A 72 14.961 4.134 -12.577 1.00 0.58 H new ATOM 0 HA ASP A 72 17.434 5.313 -13.708 1.00 0.65 H new ATOM 0 HB2 ASP A 72 15.872 6.889 -12.560 1.00 0.80 H new ATOM 0 HB3 ASP A 72 15.979 5.914 -11.108 1.00 0.80 H new ATOM 1140 N GLY A 73 16.986 2.922 -11.627 1.00 0.45 N ATOM 1141 CA GLY A 73 17.631 1.915 -10.816 1.00 0.46 C ATOM 1142 C GLY A 73 17.306 2.120 -9.359 1.00 0.41 C ATOM 1143 O GLY A 73 18.041 1.683 -8.472 1.00 0.44 O ATOM 0 H GLY A 73 16.005 2.739 -11.838 1.00 0.45 H new ATOM 0 HA2 GLY A 73 17.306 0.923 -11.131 1.00 0.46 H new ATOM 0 HA3 GLY A 73 18.710 1.958 -10.963 1.00 0.46 H new ATOM 1147 N GLN A 74 16.205 2.814 -9.125 1.00 0.38 N ATOM 1148 CA GLN A 74 15.749 3.126 -7.791 1.00 0.37 C ATOM 1149 C GLN A 74 14.248 2.961 -7.742 1.00 0.36 C ATOM 1150 O GLN A 74 13.590 2.930 -8.779 1.00 0.39 O ATOM 1151 CB GLN A 74 16.084 4.567 -7.424 1.00 0.38 C ATOM 1152 CG GLN A 74 17.544 4.937 -7.584 1.00 0.42 C ATOM 1153 CD GLN A 74 17.859 6.353 -7.139 1.00 0.50 C ATOM 1154 OE1 GLN A 74 17.042 7.262 -7.277 1.00 1.03 O ATOM 1155 NE2 GLN A 74 19.044 6.547 -6.586 1.00 1.25 N ATOM 0 H GLN A 74 15.602 3.177 -9.863 1.00 0.38 H new ATOM 0 HA GLN A 74 16.244 2.456 -7.088 1.00 0.37 H new ATOM 0 HB2 GLN A 74 15.484 5.234 -8.043 1.00 0.38 H new ATOM 0 HB3 GLN A 74 15.790 4.742 -6.389 1.00 0.38 H new ATOM 0 HG2 GLN A 74 18.153 4.239 -7.009 1.00 0.42 H new ATOM 0 HG3 GLN A 74 17.828 4.821 -8.630 1.00 0.42 H new ATOM 0 HE21 GLN A 74 19.695 5.768 -6.489 1.00 1.25 H new ATOM 0 HE22 GLN A 74 19.307 7.476 -6.257 1.00 1.25 H new ATOM 1164 N LEU A 75 13.707 2.883 -6.549 1.00 0.33 N ATOM 1165 CA LEU A 75 12.275 2.772 -6.392 1.00 0.32 C ATOM 1166 C LEU A 75 11.715 3.977 -5.688 1.00 0.32 C ATOM 1167 O LEU A 75 11.929 4.178 -4.492 1.00 0.32 O ATOM 1168 CB LEU A 75 11.896 1.502 -5.649 1.00 0.31 C ATOM 1169 CG LEU A 75 12.330 0.225 -6.355 1.00 0.33 C ATOM 1170 CD1 LEU A 75 11.779 -0.986 -5.641 1.00 0.35 C ATOM 1171 CD2 LEU A 75 11.883 0.252 -7.807 1.00 0.35 C ATOM 0 H LEU A 75 14.234 2.894 -5.676 1.00 0.33 H new ATOM 0 HA LEU A 75 11.841 2.722 -7.390 1.00 0.32 H new ATOM 0 HB2 LEU A 75 12.343 1.526 -4.655 1.00 0.31 H new ATOM 0 HB3 LEU A 75 10.815 1.481 -5.512 1.00 0.31 H new ATOM 0 HG LEU A 75 13.418 0.162 -6.333 1.00 0.33 H new ATOM 0 HD11 LEU A 75 12.099 -1.890 -6.159 1.00 0.35 H new ATOM 0 HD12 LEU A 75 12.150 -1.004 -4.616 1.00 0.35 H new ATOM 0 HD13 LEU A 75 10.690 -0.939 -5.632 1.00 0.35 H new ATOM 0 HD21 LEU A 75 12.199 -0.666 -8.302 1.00 0.35 H new ATOM 0 HD22 LEU A 75 10.797 0.333 -7.852 1.00 0.35 H new ATOM 0 HD23 LEU A 75 12.332 1.108 -8.310 1.00 0.35 H new ATOM 1183 N ASP A 76 11.004 4.780 -6.447 1.00 0.35 N ATOM 1184 CA ASP A 76 10.352 5.958 -5.915 1.00 0.36 C ATOM 1185 C ASP A 76 9.099 5.498 -5.186 1.00 0.33 C ATOM 1186 O ASP A 76 8.808 4.304 -5.174 1.00 0.32 O ATOM 1187 CB ASP A 76 10.041 6.912 -7.066 1.00 0.44 C ATOM 1188 CG ASP A 76 9.773 8.344 -6.634 1.00 0.91 C ATOM 1189 OD1 ASP A 76 8.747 8.597 -5.965 1.00 1.45 O ATOM 1190 OD2 ASP A 76 10.564 9.234 -6.999 1.00 1.68 O ATOM 0 H ASP A 76 10.861 4.637 -7.447 1.00 0.35 H new ATOM 0 HA ASP A 76 10.985 6.497 -5.211 1.00 0.36 H new ATOM 0 HB2 ASP A 76 10.878 6.906 -7.764 1.00 0.44 H new ATOM 0 HB3 ASP A 76 9.171 6.539 -7.607 1.00 0.44 H new ATOM 1195 N PHE A 77 8.354 6.404 -4.587 1.00 0.41 N ATOM 1196 CA PHE A 77 7.286 6.002 -3.689 1.00 0.49 C ATOM 1197 C PHE A 77 6.223 5.190 -4.412 1.00 0.39 C ATOM 1198 O PHE A 77 5.815 4.142 -3.930 1.00 0.39 O ATOM 1199 CB PHE A 77 6.667 7.210 -3.004 1.00 0.72 C ATOM 1200 CG PHE A 77 5.900 6.846 -1.765 1.00 1.76 C ATOM 1201 CD1 PHE A 77 6.376 5.876 -0.896 1.00 2.56 C ATOM 1202 CD2 PHE A 77 4.703 7.465 -1.476 1.00 2.66 C ATOM 1203 CE1 PHE A 77 5.671 5.533 0.237 1.00 3.67 C ATOM 1204 CE2 PHE A 77 3.992 7.125 -0.344 1.00 3.77 C ATOM 1205 CZ PHE A 77 4.477 6.159 0.513 1.00 4.15 C ATOM 0 H PHE A 77 8.464 7.412 -4.702 1.00 0.41 H new ATOM 0 HA PHE A 77 7.727 5.363 -2.924 1.00 0.49 H new ATOM 0 HB2 PHE A 77 7.454 7.918 -2.744 1.00 0.72 H new ATOM 0 HB3 PHE A 77 6.001 7.717 -3.703 1.00 0.72 H new ATOM 0 HD1 PHE A 77 7.312 5.382 -1.110 1.00 2.56 H new ATOM 0 HD2 PHE A 77 4.318 8.223 -2.142 1.00 2.66 H new ATOM 0 HE1 PHE A 77 6.054 4.776 0.906 1.00 3.67 H new ATOM 0 HE2 PHE A 77 3.054 7.616 -0.128 1.00 3.77 H new ATOM 0 HZ PHE A 77 3.920 5.894 1.400 1.00 4.15 H new ATOM 1215 N SER A 78 5.798 5.658 -5.576 1.00 0.39 N ATOM 1216 CA SER A 78 4.823 4.931 -6.376 1.00 0.38 C ATOM 1217 C SER A 78 5.353 3.547 -6.735 1.00 0.38 C ATOM 1218 O SER A 78 4.597 2.583 -6.812 1.00 0.44 O ATOM 1219 CB SER A 78 4.499 5.713 -7.649 1.00 0.45 C ATOM 1220 OG SER A 78 3.502 5.065 -8.423 1.00 1.31 O ATOM 0 H SER A 78 6.112 6.537 -5.988 1.00 0.39 H new ATOM 0 HA SER A 78 3.912 4.814 -5.789 1.00 0.38 H new ATOM 0 HB2 SER A 78 4.161 6.715 -7.385 1.00 0.45 H new ATOM 0 HB3 SER A 78 5.404 5.829 -8.245 1.00 0.45 H new ATOM 0 HG SER A 78 3.319 5.593 -9.228 1.00 1.31 H new ATOM 1226 N GLU A 79 6.664 3.450 -6.906 1.00 0.36 N ATOM 1227 CA GLU A 79 7.302 2.215 -7.326 1.00 0.42 C ATOM 1228 C GLU A 79 7.492 1.284 -6.137 1.00 0.33 C ATOM 1229 O GLU A 79 7.365 0.064 -6.256 1.00 0.33 O ATOM 1230 CB GLU A 79 8.625 2.553 -8.006 1.00 0.51 C ATOM 1231 CG GLU A 79 8.411 3.412 -9.239 1.00 0.64 C ATOM 1232 CD GLU A 79 9.670 4.070 -9.753 1.00 1.81 C ATOM 1233 OE1 GLU A 79 10.457 3.402 -10.441 1.00 2.57 O ATOM 1234 OE2 GLU A 79 9.847 5.275 -9.501 1.00 2.54 O ATOM 0 H GLU A 79 7.312 4.224 -6.757 1.00 0.36 H new ATOM 0 HA GLU A 79 6.670 1.688 -8.041 1.00 0.42 H new ATOM 0 HB2 GLU A 79 9.273 3.077 -7.304 1.00 0.51 H new ATOM 0 HB3 GLU A 79 9.137 1.633 -8.286 1.00 0.51 H new ATOM 0 HG2 GLU A 79 7.986 2.795 -10.031 1.00 0.64 H new ATOM 0 HG3 GLU A 79 7.677 4.184 -9.009 1.00 0.64 H new ATOM 1241 N PHE A 80 7.762 1.874 -4.984 1.00 0.28 N ATOM 1242 CA PHE A 80 7.820 1.136 -3.734 1.00 0.25 C ATOM 1243 C PHE A 80 6.416 0.691 -3.342 1.00 0.23 C ATOM 1244 O PHE A 80 6.231 -0.330 -2.691 1.00 0.26 O ATOM 1245 CB PHE A 80 8.423 2.016 -2.636 1.00 0.31 C ATOM 1246 CG PHE A 80 8.609 1.322 -1.316 1.00 0.71 C ATOM 1247 CD1 PHE A 80 9.705 0.504 -1.098 1.00 1.26 C ATOM 1248 CD2 PHE A 80 7.691 1.493 -0.292 1.00 1.60 C ATOM 1249 CE1 PHE A 80 9.882 -0.133 0.117 1.00 1.56 C ATOM 1250 CE2 PHE A 80 7.861 0.859 0.924 1.00 1.98 C ATOM 1251 CZ PHE A 80 8.958 0.045 1.129 1.00 1.64 C ATOM 0 H PHE A 80 7.946 2.873 -4.889 1.00 0.28 H new ATOM 0 HA PHE A 80 8.451 0.256 -3.861 1.00 0.25 H new ATOM 0 HB2 PHE A 80 9.389 2.389 -2.976 1.00 0.31 H new ATOM 0 HB3 PHE A 80 7.780 2.884 -2.489 1.00 0.31 H new ATOM 0 HD1 PHE A 80 10.430 0.362 -1.886 1.00 1.26 H new ATOM 0 HD2 PHE A 80 6.832 2.130 -0.446 1.00 1.60 H new ATOM 0 HE1 PHE A 80 10.741 -0.768 0.274 1.00 1.56 H new ATOM 0 HE2 PHE A 80 7.137 1.000 1.713 1.00 1.98 H new ATOM 0 HZ PHE A 80 9.093 -0.451 2.079 1.00 1.64 H new ATOM 1261 N LEU A 81 5.428 1.468 -3.752 1.00 0.25 N ATOM 1262 CA LEU A 81 4.040 1.132 -3.492 1.00 0.26 C ATOM 1263 C LEU A 81 3.520 0.137 -4.511 1.00 0.26 C ATOM 1264 O LEU A 81 2.561 -0.585 -4.247 1.00 0.27 O ATOM 1265 CB LEU A 81 3.183 2.385 -3.490 1.00 0.29 C ATOM 1266 CG LEU A 81 3.474 3.348 -2.337 1.00 0.28 C ATOM 1267 CD1 LEU A 81 2.611 4.583 -2.459 1.00 0.34 C ATOM 1268 CD2 LEU A 81 3.277 2.664 -0.980 1.00 0.29 C ATOM 0 H LEU A 81 5.563 2.338 -4.267 1.00 0.25 H new ATOM 0 HA LEU A 81 3.984 0.668 -2.507 1.00 0.26 H new ATOM 0 HB2 LEU A 81 3.329 2.912 -4.433 1.00 0.29 H new ATOM 0 HB3 LEU A 81 2.134 2.093 -3.447 1.00 0.29 H new ATOM 0 HG LEU A 81 4.519 3.652 -2.397 1.00 0.28 H new ATOM 0 HD11 LEU A 81 2.827 5.261 -1.633 1.00 0.34 H new ATOM 0 HD12 LEU A 81 2.823 5.083 -3.404 1.00 0.34 H new ATOM 0 HD13 LEU A 81 1.560 4.297 -2.428 1.00 0.34 H new ATOM 0 HD21 LEU A 81 3.491 3.373 -0.181 1.00 0.29 H new ATOM 0 HD22 LEU A 81 2.247 2.319 -0.893 1.00 0.29 H new ATOM 0 HD23 LEU A 81 3.953 1.813 -0.900 1.00 0.29 H new ATOM 1280 N ASN A 82 4.137 0.111 -5.684 1.00 0.26 N ATOM 1281 CA ASN A 82 3.884 -0.958 -6.630 1.00 0.26 C ATOM 1282 C ASN A 82 4.335 -2.256 -5.997 1.00 0.23 C ATOM 1283 O ASN A 82 3.657 -3.281 -6.058 1.00 0.25 O ATOM 1284 CB ASN A 82 4.651 -0.740 -7.937 1.00 0.30 C ATOM 1285 CG ASN A 82 4.099 0.390 -8.783 1.00 0.79 C ATOM 1286 OD1 ASN A 82 2.906 0.694 -8.739 1.00 1.51 O ATOM 1287 ND2 ASN A 82 4.962 1.013 -9.572 1.00 1.42 N ATOM 0 H ASN A 82 4.809 0.811 -5.998 1.00 0.26 H new ATOM 0 HA ASN A 82 2.820 -0.982 -6.867 1.00 0.26 H new ATOM 0 HB2 ASN A 82 5.696 -0.532 -7.705 1.00 0.30 H new ATOM 0 HB3 ASN A 82 4.631 -1.662 -8.519 1.00 0.30 H new ATOM 0 HD21 ASN A 82 4.646 1.775 -10.172 1.00 1.42 H new ATOM 0 HD22 ASN A 82 5.942 0.731 -9.579 1.00 1.42 H new ATOM 1294 N LEU A 83 5.500 -2.173 -5.379 1.00 0.23 N ATOM 1295 CA LEU A 83 6.033 -3.239 -4.561 1.00 0.24 C ATOM 1296 C LEU A 83 5.048 -3.630 -3.476 1.00 0.23 C ATOM 1297 O LEU A 83 4.658 -4.790 -3.370 1.00 0.25 O ATOM 1298 CB LEU A 83 7.317 -2.766 -3.909 1.00 0.27 C ATOM 1299 CG LEU A 83 7.739 -3.576 -2.701 1.00 0.31 C ATOM 1300 CD1 LEU A 83 8.208 -4.961 -3.122 1.00 0.35 C ATOM 1301 CD2 LEU A 83 8.809 -2.844 -1.921 1.00 0.36 C ATOM 0 H LEU A 83 6.106 -1.354 -5.434 1.00 0.23 H new ATOM 0 HA LEU A 83 6.220 -4.105 -5.195 1.00 0.24 H new ATOM 0 HB2 LEU A 83 8.118 -2.794 -4.648 1.00 0.27 H new ATOM 0 HB3 LEU A 83 7.196 -1.725 -3.609 1.00 0.27 H new ATOM 0 HG LEU A 83 6.876 -3.703 -2.047 1.00 0.31 H new ATOM 0 HD11 LEU A 83 8.507 -5.528 -2.240 1.00 0.35 H new ATOM 0 HD12 LEU A 83 7.396 -5.481 -3.630 1.00 0.35 H new ATOM 0 HD13 LEU A 83 9.058 -4.867 -3.798 1.00 0.35 H new ATOM 0 HD21 LEU A 83 9.101 -3.440 -1.056 1.00 0.36 H new ATOM 0 HD22 LEU A 83 9.677 -2.681 -2.559 1.00 0.36 H new ATOM 0 HD23 LEU A 83 8.421 -1.883 -1.585 1.00 0.36 H new ATOM 1313 N ILE A 84 4.670 -2.647 -2.666 1.00 0.24 N ATOM 1314 CA ILE A 84 3.698 -2.837 -1.599 1.00 0.26 C ATOM 1315 C ILE A 84 2.431 -3.497 -2.142 1.00 0.27 C ATOM 1316 O ILE A 84 1.784 -4.281 -1.451 1.00 0.29 O ATOM 1317 CB ILE A 84 3.359 -1.485 -0.929 1.00 0.29 C ATOM 1318 CG1 ILE A 84 4.575 -0.923 -0.188 1.00 0.55 C ATOM 1319 CG2 ILE A 84 2.167 -1.604 0.013 1.00 0.47 C ATOM 1320 CD1 ILE A 84 5.117 -1.832 0.889 1.00 0.62 C ATOM 0 H ILE A 84 5.030 -1.695 -2.732 1.00 0.24 H new ATOM 0 HA ILE A 84 4.135 -3.494 -0.847 1.00 0.26 H new ATOM 0 HB ILE A 84 3.084 -0.790 -1.723 1.00 0.29 H new ATOM 0 HG12 ILE A 84 5.366 -0.722 -0.911 1.00 0.55 H new ATOM 0 HG13 ILE A 84 4.303 0.032 0.261 1.00 0.55 H new ATOM 0 HG21 ILE A 84 1.961 -0.633 0.464 1.00 0.47 H new ATOM 0 HG22 ILE A 84 1.293 -1.937 -0.547 1.00 0.47 H new ATOM 0 HG23 ILE A 84 2.393 -2.327 0.797 1.00 0.47 H new ATOM 0 HD11 ILE A 84 5.977 -1.360 1.365 1.00 0.62 H new ATOM 0 HD12 ILE A 84 4.343 -2.013 1.635 1.00 0.62 H new ATOM 0 HD13 ILE A 84 5.423 -2.780 0.445 1.00 0.62 H new ATOM 1332 N GLY A 85 2.113 -3.204 -3.396 1.00 0.26 N ATOM 1333 CA GLY A 85 0.993 -3.828 -4.050 1.00 0.29 C ATOM 1334 C GLY A 85 1.208 -5.315 -4.223 1.00 0.29 C ATOM 1335 O GLY A 85 0.367 -6.111 -3.822 1.00 0.33 O ATOM 0 H GLY A 85 2.622 -2.535 -3.974 1.00 0.26 H new ATOM 0 HA2 GLY A 85 0.088 -3.656 -3.467 1.00 0.29 H new ATOM 0 HA3 GLY A 85 0.837 -3.366 -5.025 1.00 0.29 H new ATOM 1339 N GLY A 86 2.359 -5.692 -4.771 1.00 0.28 N ATOM 1340 CA GLY A 86 2.636 -7.095 -5.020 1.00 0.31 C ATOM 1341 C GLY A 86 2.824 -7.848 -3.724 1.00 0.29 C ATOM 1342 O GLY A 86 2.461 -9.019 -3.603 1.00 0.35 O ATOM 0 H GLY A 86 3.104 -5.052 -5.047 1.00 0.28 H new ATOM 0 HA2 GLY A 86 1.815 -7.537 -5.586 1.00 0.31 H new ATOM 0 HA3 GLY A 86 3.532 -7.189 -5.633 1.00 0.31 H new ATOM 1346 N LEU A 87 3.375 -7.143 -2.755 1.00 0.25 N ATOM 1347 CA LEU A 87 3.572 -7.662 -1.415 1.00 0.25 C ATOM 1348 C LEU A 87 2.238 -7.957 -0.765 1.00 0.26 C ATOM 1349 O LEU A 87 1.959 -9.089 -0.373 1.00 0.29 O ATOM 1350 CB LEU A 87 4.305 -6.634 -0.570 1.00 0.25 C ATOM 1351 CG LEU A 87 5.799 -6.495 -0.820 1.00 0.26 C ATOM 1352 CD1 LEU A 87 6.312 -5.254 -0.124 1.00 0.26 C ATOM 1353 CD2 LEU A 87 6.544 -7.719 -0.318 1.00 0.35 C ATOM 0 H LEU A 87 3.702 -6.184 -2.877 1.00 0.25 H new ATOM 0 HA LEU A 87 4.157 -8.579 -1.483 1.00 0.25 H new ATOM 0 HB2 LEU A 87 3.839 -5.662 -0.734 1.00 0.25 H new ATOM 0 HB3 LEU A 87 4.156 -6.886 0.480 1.00 0.25 H new ATOM 0 HG LEU A 87 5.970 -6.408 -1.893 1.00 0.26 H new ATOM 0 HD11 LEU A 87 7.383 -5.153 -0.302 1.00 0.26 H new ATOM 0 HD12 LEU A 87 5.795 -4.378 -0.515 1.00 0.26 H new ATOM 0 HD13 LEU A 87 6.129 -5.336 0.947 1.00 0.26 H new ATOM 0 HD21 LEU A 87 7.611 -7.598 -0.507 1.00 0.35 H new ATOM 0 HD22 LEU A 87 6.376 -7.834 0.753 1.00 0.35 H new ATOM 0 HD23 LEU A 87 6.181 -8.605 -0.839 1.00 0.35 H new ATOM 1365 N ALA A 88 1.418 -6.919 -0.660 1.00 0.25 N ATOM 1366 CA ALA A 88 0.109 -7.035 -0.051 1.00 0.27 C ATOM 1367 C ALA A 88 -0.713 -8.078 -0.753 1.00 0.30 C ATOM 1368 O ALA A 88 -1.414 -8.856 -0.124 1.00 0.35 O ATOM 1369 CB ALA A 88 -0.632 -5.718 -0.104 1.00 0.27 C ATOM 0 H ALA A 88 1.644 -5.982 -0.993 1.00 0.25 H new ATOM 0 HA ALA A 88 0.259 -7.324 0.989 1.00 0.27 H new ATOM 0 HB1 ALA A 88 -1.612 -5.833 0.360 1.00 0.27 H new ATOM 0 HB2 ALA A 88 -0.063 -4.959 0.433 1.00 0.27 H new ATOM 0 HB3 ALA A 88 -0.756 -5.412 -1.143 1.00 0.27 H new ATOM 1375 N MET A 89 -0.624 -8.076 -2.067 1.00 0.29 N ATOM 1376 CA MET A 89 -1.360 -9.015 -2.875 1.00 0.33 C ATOM 1377 C MET A 89 -0.954 -10.442 -2.552 1.00 0.34 C ATOM 1378 O MET A 89 -1.792 -11.340 -2.515 1.00 0.39 O ATOM 1379 CB MET A 89 -1.151 -8.717 -4.352 1.00 0.35 C ATOM 1380 CG MET A 89 -1.964 -7.533 -4.836 1.00 0.42 C ATOM 1381 SD MET A 89 -2.156 -7.519 -6.629 1.00 1.03 S ATOM 1382 CE MET A 89 -0.450 -7.416 -7.161 1.00 1.89 C ATOM 0 H MET A 89 -0.043 -7.427 -2.598 1.00 0.29 H new ATOM 0 HA MET A 89 -2.420 -8.908 -2.646 1.00 0.33 H new ATOM 0 HB2 MET A 89 -0.094 -8.523 -4.532 1.00 0.35 H new ATOM 0 HB3 MET A 89 -1.418 -9.598 -4.936 1.00 0.35 H new ATOM 0 HG2 MET A 89 -2.948 -7.556 -4.368 1.00 0.42 H new ATOM 0 HG3 MET A 89 -1.481 -6.609 -4.518 1.00 0.42 H new ATOM 0 HE1 MET A 89 -0.413 -7.291 -8.243 1.00 1.89 H new ATOM 0 HE2 MET A 89 0.030 -6.563 -6.681 1.00 1.89 H new ATOM 0 HE3 MET A 89 0.074 -8.331 -6.883 1.00 1.89 H new ATOM 1392 N ALA A 90 0.328 -10.636 -2.285 1.00 0.34 N ATOM 1393 CA ALA A 90 0.838 -11.942 -1.916 1.00 0.40 C ATOM 1394 C ALA A 90 0.418 -12.294 -0.495 1.00 0.42 C ATOM 1395 O ALA A 90 0.118 -13.444 -0.195 1.00 0.49 O ATOM 1396 CB ALA A 90 2.351 -11.973 -2.052 1.00 0.46 C ATOM 0 H ALA A 90 1.035 -9.901 -2.318 1.00 0.34 H new ATOM 0 HA ALA A 90 0.416 -12.686 -2.591 1.00 0.40 H new ATOM 0 HB1 ALA A 90 2.721 -12.959 -1.772 1.00 0.46 H new ATOM 0 HB2 ALA A 90 2.628 -11.761 -3.085 1.00 0.46 H new ATOM 0 HB3 ALA A 90 2.791 -11.221 -1.397 1.00 0.46 H new ATOM 1402 N CYS A 91 0.377 -11.289 0.371 1.00 0.41 N ATOM 1403 CA CYS A 91 -0.020 -11.486 1.761 1.00 0.47 C ATOM 1404 C CYS A 91 -1.514 -11.778 1.864 1.00 0.45 C ATOM 1405 O CYS A 91 -1.944 -12.572 2.697 1.00 0.51 O ATOM 1406 CB CYS A 91 0.340 -10.254 2.592 1.00 0.55 C ATOM 1407 SG CYS A 91 2.093 -9.824 2.533 1.00 1.76 S ATOM 0 H CYS A 91 0.615 -10.326 0.135 1.00 0.41 H new ATOM 0 HA CYS A 91 0.522 -12.347 2.153 1.00 0.47 H new ATOM 0 HB2 CYS A 91 -0.245 -9.405 2.239 1.00 0.55 H new ATOM 0 HB3 CYS A 91 0.053 -10.430 3.629 1.00 0.55 H new ATOM 0 HG CYS A 91 2.404 -9.436 1.332 1.00 1.76 H new ATOM 1413 N HIS A 92 -2.295 -11.131 1.008 1.00 0.41 N ATOM 1414 CA HIS A 92 -3.728 -11.379 0.926 1.00 0.46 C ATOM 1415 C HIS A 92 -3.956 -12.762 0.350 1.00 0.45 C ATOM 1416 O HIS A 92 -4.759 -13.536 0.858 1.00 0.49 O ATOM 1417 CB HIS A 92 -4.400 -10.322 0.039 1.00 0.54 C ATOM 1418 CG HIS A 92 -5.898 -10.406 -0.009 1.00 1.21 C ATOM 1419 ND1 HIS A 92 -6.595 -10.785 -1.136 1.00 2.13 N ATOM 1420 CD2 HIS A 92 -6.836 -10.125 0.929 1.00 1.96 C ATOM 1421 CE1 HIS A 92 -7.890 -10.733 -0.894 1.00 2.74 C ATOM 1422 NE2 HIS A 92 -8.063 -10.337 0.352 1.00 2.62 N ATOM 0 H HIS A 92 -1.956 -10.424 0.355 1.00 0.41 H new ATOM 0 HA HIS A 92 -4.165 -11.320 1.923 1.00 0.46 H new ATOM 0 HB2 HIS A 92 -4.116 -9.333 0.397 1.00 0.54 H new ATOM 0 HB3 HIS A 92 -4.011 -10.417 -0.975 1.00 0.54 H new ATOM 0 HD2 HIS A 92 -6.652 -9.796 1.941 1.00 1.96 H new ATOM 0 HE1 HIS A 92 -8.675 -10.974 -1.596 1.00 2.74 H new ATOM 0 HE2 HIS A 92 -8.964 -10.209 0.813 1.00 2.62 H new ATOM 1431 N ASP A 93 -3.210 -13.061 -0.701 1.00 0.45 N ATOM 1432 CA ASP A 93 -3.284 -14.354 -1.360 1.00 0.52 C ATOM 1433 C ASP A 93 -2.922 -15.470 -0.382 1.00 0.56 C ATOM 1434 O ASP A 93 -3.554 -16.526 -0.364 1.00 0.65 O ATOM 1435 CB ASP A 93 -2.343 -14.360 -2.567 1.00 0.54 C ATOM 1436 CG ASP A 93 -2.470 -15.615 -3.404 1.00 0.93 C ATOM 1437 OD1 ASP A 93 -3.487 -15.758 -4.119 1.00 1.75 O ATOM 1438 OD2 ASP A 93 -1.552 -16.460 -3.357 1.00 1.48 O ATOM 0 H ASP A 93 -2.539 -12.417 -1.120 1.00 0.45 H new ATOM 0 HA ASP A 93 -4.303 -14.529 -1.705 1.00 0.52 H new ATOM 0 HB2 ASP A 93 -2.553 -13.491 -3.190 1.00 0.54 H new ATOM 0 HB3 ASP A 93 -1.314 -14.263 -2.220 1.00 0.54 H new ATOM 1443 N SER A 94 -1.927 -15.201 0.455 1.00 0.54 N ATOM 1444 CA SER A 94 -1.503 -16.134 1.486 1.00 0.60 C ATOM 1445 C SER A 94 -2.562 -16.249 2.564 1.00 0.63 C ATOM 1446 O SER A 94 -2.876 -17.337 3.014 1.00 0.70 O ATOM 1447 CB SER A 94 -0.197 -15.665 2.120 1.00 0.65 C ATOM 1448 OG SER A 94 0.837 -15.572 1.156 1.00 1.27 O ATOM 0 H SER A 94 -1.394 -14.332 0.436 1.00 0.54 H new ATOM 0 HA SER A 94 -1.353 -17.108 1.020 1.00 0.60 H new ATOM 0 HB2 SER A 94 -0.347 -14.694 2.591 1.00 0.65 H new ATOM 0 HB3 SER A 94 0.098 -16.359 2.907 1.00 0.65 H new ATOM 0 HG SER A 94 0.544 -14.999 0.416 1.00 1.27 H new ATOM 1454 N PHE A 95 -3.113 -15.109 2.959 1.00 0.60 N ATOM 1455 CA PHE A 95 -4.094 -15.045 4.030 1.00 0.66 C ATOM 1456 C PHE A 95 -5.299 -15.912 3.693 1.00 0.72 C ATOM 1457 O PHE A 95 -5.892 -16.538 4.563 1.00 0.84 O ATOM 1458 CB PHE A 95 -4.529 -13.593 4.242 1.00 0.64 C ATOM 1459 CG PHE A 95 -5.216 -13.342 5.554 1.00 0.78 C ATOM 1460 CD1 PHE A 95 -4.517 -13.456 6.744 1.00 1.80 C ATOM 1461 CD2 PHE A 95 -6.553 -12.986 5.595 1.00 1.30 C ATOM 1462 CE1 PHE A 95 -5.140 -13.220 7.953 1.00 2.35 C ATOM 1463 CE2 PHE A 95 -7.181 -12.747 6.802 1.00 1.76 C ATOM 1464 CZ PHE A 95 -6.473 -12.864 7.982 1.00 2.08 C ATOM 0 H PHE A 95 -2.891 -14.204 2.545 1.00 0.60 H new ATOM 0 HA PHE A 95 -3.644 -15.421 4.949 1.00 0.66 H new ATOM 0 HB2 PHE A 95 -3.652 -12.949 4.175 1.00 0.64 H new ATOM 0 HB3 PHE A 95 -5.199 -13.304 3.432 1.00 0.64 H new ATOM 0 HD1 PHE A 95 -3.473 -13.733 6.726 1.00 1.80 H new ATOM 0 HD2 PHE A 95 -7.111 -12.894 4.675 1.00 1.30 H new ATOM 0 HE1 PHE A 95 -4.585 -13.314 8.875 1.00 2.35 H new ATOM 0 HE2 PHE A 95 -8.224 -12.469 6.823 1.00 1.76 H new ATOM 0 HZ PHE A 95 -6.962 -12.677 8.927 1.00 2.08 H new ATOM 1737 N PRO B 7 6.639 -9.269 11.287 1.00 0.70 N ATOM 1738 CA PRO B 7 6.525 -8.277 10.219 1.00 0.54 C ATOM 1739 C PRO B 7 7.055 -6.920 10.653 1.00 0.45 C ATOM 1740 O PRO B 7 7.147 -6.625 11.849 1.00 0.57 O ATOM 1741 CB PRO B 7 5.018 -8.205 10.004 1.00 0.62 C ATOM 1742 CG PRO B 7 4.481 -8.392 11.370 1.00 0.75 C ATOM 1743 CD PRO B 7 5.352 -9.452 11.990 1.00 0.82 C ATOM 0 HA PRO B 7 7.096 -8.543 9.330 1.00 0.54 H new ATOM 0 HB2 PRO B 7 4.716 -7.248 9.578 1.00 0.62 H new ATOM 0 HB3 PRO B 7 4.669 -8.981 9.323 1.00 0.62 H new ATOM 0 HG2 PRO B 7 4.522 -7.464 11.941 1.00 0.75 H new ATOM 0 HG3 PRO B 7 3.437 -8.704 11.344 1.00 0.75 H new ATOM 0 HD2 PRO B 7 5.455 -9.312 13.066 1.00 0.82 H new ATOM 0 HD3 PRO B 7 4.945 -10.451 11.836 1.00 0.82 H new ATOM 1751 N THR B 8 7.409 -6.100 9.690 1.00 0.34 N ATOM 1752 CA THR B 8 7.871 -4.760 9.978 1.00 0.27 C ATOM 1753 C THR B 8 6.745 -3.769 9.773 1.00 0.28 C ATOM 1754 O THR B 8 5.597 -4.167 9.570 1.00 0.34 O ATOM 1755 CB THR B 8 9.048 -4.386 9.077 1.00 0.29 C ATOM 1756 OG1 THR B 8 8.573 -4.205 7.740 1.00 0.37 O ATOM 1757 CG2 THR B 8 10.096 -5.480 9.119 1.00 0.33 C ATOM 0 H THR B 8 7.386 -6.337 8.698 1.00 0.34 H new ATOM 0 HA THR B 8 8.201 -4.729 11.017 1.00 0.27 H new ATOM 0 HB THR B 8 9.501 -3.459 9.428 1.00 0.29 H new ATOM 0 HG1 THR B 8 9.082 -4.780 7.131 1.00 0.37 H new ATOM 0 HG21 THR B 8 10.932 -5.208 8.475 1.00 0.33 H new ATOM 0 HG22 THR B 8 10.451 -5.604 10.142 1.00 0.33 H new ATOM 0 HG23 THR B 8 9.659 -6.416 8.770 1.00 0.33 H new ATOM 1765 N GLU B 9 7.082 -2.489 9.813 1.00 0.28 N ATOM 1766 CA GLU B 9 6.110 -1.425 9.626 1.00 0.33 C ATOM 1767 C GLU B 9 5.311 -1.638 8.346 1.00 0.36 C ATOM 1768 O GLU B 9 4.089 -1.673 8.376 1.00 0.52 O ATOM 1769 CB GLU B 9 6.817 -0.072 9.585 1.00 0.40 C ATOM 1770 CG GLU B 9 5.856 1.094 9.568 1.00 0.56 C ATOM 1771 CD GLU B 9 5.040 1.169 10.835 1.00 1.73 C ATOM 1772 OE1 GLU B 9 5.544 1.695 11.849 1.00 2.48 O ATOM 1773 OE2 GLU B 9 3.893 0.693 10.827 1.00 2.47 O ATOM 0 H GLU B 9 8.034 -2.160 9.975 1.00 0.28 H new ATOM 0 HA GLU B 9 5.417 -1.441 10.468 1.00 0.33 H new ATOM 0 HB2 GLU B 9 7.472 0.016 10.452 1.00 0.40 H new ATOM 0 HB3 GLU B 9 7.452 -0.026 8.700 1.00 0.40 H new ATOM 0 HG2 GLU B 9 6.413 2.022 9.440 1.00 0.56 H new ATOM 0 HG3 GLU B 9 5.189 1.002 8.711 1.00 0.56 H new ATOM 1780 N THR B 10 6.008 -1.830 7.236 1.00 0.26 N ATOM 1781 CA THR B 10 5.358 -1.999 5.947 1.00 0.27 C ATOM 1782 C THR B 10 4.568 -3.292 5.903 1.00 0.27 C ATOM 1783 O THR B 10 3.442 -3.313 5.429 1.00 0.31 O ATOM 1784 CB THR B 10 6.368 -1.955 4.772 1.00 0.27 C ATOM 1785 OG1 THR B 10 5.860 -2.682 3.652 1.00 0.40 O ATOM 1786 CG2 THR B 10 7.721 -2.521 5.175 1.00 0.26 C ATOM 0 H THR B 10 7.027 -1.873 7.203 1.00 0.26 H new ATOM 0 HA THR B 10 4.673 -1.159 5.829 1.00 0.27 H new ATOM 0 HB THR B 10 6.503 -0.909 4.497 1.00 0.27 H new ATOM 0 HG1 THR B 10 6.566 -2.781 2.979 1.00 0.40 H new ATOM 0 HG21 THR B 10 8.403 -2.474 4.326 1.00 0.26 H new ATOM 0 HG22 THR B 10 8.128 -1.937 6.000 1.00 0.26 H new ATOM 0 HG23 THR B 10 7.603 -3.558 5.488 1.00 0.26 H new ATOM 1794 N GLU B 11 5.134 -4.354 6.446 1.00 0.24 N ATOM 1795 CA GLU B 11 4.508 -5.662 6.363 1.00 0.27 C ATOM 1796 C GLU B 11 3.226 -5.711 7.171 1.00 0.30 C ATOM 1797 O GLU B 11 2.198 -6.187 6.693 1.00 0.32 O ATOM 1798 CB GLU B 11 5.480 -6.722 6.836 1.00 0.29 C ATOM 1799 CG GLU B 11 6.812 -6.589 6.150 1.00 0.41 C ATOM 1800 CD GLU B 11 7.744 -7.747 6.422 1.00 1.11 C ATOM 1801 OE1 GLU B 11 8.088 -7.959 7.603 1.00 1.85 O ATOM 1802 OE2 GLU B 11 8.160 -8.419 5.458 1.00 1.71 O ATOM 0 H GLU B 11 6.022 -4.338 6.947 1.00 0.24 H new ATOM 0 HA GLU B 11 4.246 -5.856 5.323 1.00 0.27 H new ATOM 0 HB2 GLU B 11 5.614 -6.640 7.915 1.00 0.29 H new ATOM 0 HB3 GLU B 11 5.066 -7.711 6.641 1.00 0.29 H new ATOM 0 HG2 GLU B 11 6.652 -6.505 5.075 1.00 0.41 H new ATOM 0 HG3 GLU B 11 7.289 -5.664 6.474 1.00 0.41 H new ATOM 1809 N ARG B 12 3.281 -5.192 8.385 1.00 0.35 N ATOM 1810 CA ARG B 12 2.105 -5.155 9.239 1.00 0.42 C ATOM 1811 C ARG B 12 1.074 -4.209 8.646 1.00 0.43 C ATOM 1812 O ARG B 12 -0.129 -4.431 8.750 1.00 0.47 O ATOM 1813 CB ARG B 12 2.475 -4.760 10.682 1.00 0.48 C ATOM 1814 CG ARG B 12 3.003 -3.338 10.871 1.00 0.49 C ATOM 1815 CD ARG B 12 1.890 -2.303 10.830 1.00 0.56 C ATOM 1816 NE ARG B 12 2.226 -1.103 11.589 1.00 1.08 N ATOM 1817 CZ ARG B 12 1.791 -0.845 12.820 1.00 1.34 C ATOM 1818 NH1 ARG B 12 1.018 -1.715 13.460 1.00 1.86 N ATOM 1819 NH2 ARG B 12 2.140 0.288 13.411 1.00 1.95 N ATOM 0 H ARG B 12 4.122 -4.792 8.801 1.00 0.35 H new ATOM 0 HA ARG B 12 1.671 -6.154 9.287 1.00 0.42 H new ATOM 0 HB2 ARG B 12 1.593 -4.886 11.310 1.00 0.48 H new ATOM 0 HB3 ARG B 12 3.228 -5.458 11.047 1.00 0.48 H new ATOM 0 HG2 ARG B 12 3.525 -3.270 11.825 1.00 0.49 H new ATOM 0 HG3 ARG B 12 3.732 -3.116 10.092 1.00 0.49 H new ATOM 0 HD2 ARG B 12 1.687 -2.031 9.794 1.00 0.56 H new ATOM 0 HD3 ARG B 12 0.975 -2.740 11.230 1.00 0.56 H new ATOM 0 HE ARG B 12 2.835 -0.415 11.146 1.00 1.08 H new ATOM 0 HH11 ARG B 12 0.753 -2.590 13.008 1.00 1.86 H new ATOM 0 HH12 ARG B 12 0.690 -1.508 14.403 1.00 1.86 H new ATOM 0 HH21 ARG B 12 2.738 0.955 12.923 1.00 1.95 H new ATOM 0 HH22 ARG B 12 1.811 0.494 14.354 1.00 1.95 H new ATOM 1833 N CYS B 13 1.573 -3.167 8.001 1.00 0.42 N ATOM 1834 CA CYS B 13 0.738 -2.160 7.377 1.00 0.44 C ATOM 1835 C CYS B 13 0.090 -2.725 6.133 1.00 0.30 C ATOM 1836 O CYS B 13 -1.059 -2.421 5.812 1.00 0.29 O ATOM 1837 CB CYS B 13 1.599 -0.934 7.074 1.00 0.57 C ATOM 1838 SG CYS B 13 1.790 0.168 8.489 1.00 2.16 S ATOM 0 H CYS B 13 2.573 -2.997 7.897 1.00 0.42 H new ATOM 0 HA CYS B 13 -0.068 -1.858 8.046 1.00 0.44 H new ATOM 0 HB2 CYS B 13 2.584 -1.263 6.742 1.00 0.57 H new ATOM 0 HB3 CYS B 13 1.153 -0.380 6.248 1.00 0.57 H new ATOM 0 HG CYS B 13 2.848 -0.172 9.164 1.00 2.16 H new ATOM 1844 N ILE B 14 0.829 -3.580 5.464 1.00 0.26 N ATOM 1845 CA ILE B 14 0.325 -4.325 4.341 1.00 0.24 C ATOM 1846 C ILE B 14 -0.851 -5.202 4.754 1.00 0.21 C ATOM 1847 O ILE B 14 -1.897 -5.202 4.107 1.00 0.23 O ATOM 1848 CB ILE B 14 1.447 -5.198 3.749 1.00 0.24 C ATOM 1849 CG1 ILE B 14 2.335 -4.375 2.821 1.00 0.25 C ATOM 1850 CG2 ILE B 14 0.884 -6.407 3.030 1.00 0.27 C ATOM 1851 CD1 ILE B 14 3.578 -5.113 2.405 1.00 0.27 C ATOM 0 H ILE B 14 1.804 -3.777 5.688 1.00 0.26 H new ATOM 0 HA ILE B 14 -0.022 -3.619 3.587 1.00 0.24 H new ATOM 0 HB ILE B 14 2.059 -5.562 4.574 1.00 0.24 H new ATOM 0 HG12 ILE B 14 1.767 -4.097 1.933 1.00 0.25 H new ATOM 0 HG13 ILE B 14 2.617 -3.449 3.321 1.00 0.25 H new ATOM 0 HG21 ILE B 14 1.702 -7.002 2.624 1.00 0.27 H new ATOM 0 HG22 ILE B 14 0.308 -7.012 3.731 1.00 0.27 H new ATOM 0 HG23 ILE B 14 0.236 -6.078 2.217 1.00 0.27 H new ATOM 0 HD11 ILE B 14 4.173 -4.481 1.746 1.00 0.27 H new ATOM 0 HD12 ILE B 14 4.163 -5.367 3.289 1.00 0.27 H new ATOM 0 HD13 ILE B 14 3.300 -6.026 1.879 1.00 0.27 H new ATOM 1863 N GLU B 15 -0.688 -5.905 5.867 1.00 0.24 N ATOM 1864 CA GLU B 15 -1.686 -6.849 6.334 1.00 0.28 C ATOM 1865 C GLU B 15 -2.899 -6.106 6.810 1.00 0.30 C ATOM 1866 O GLU B 15 -4.004 -6.634 6.848 1.00 0.34 O ATOM 1867 CB GLU B 15 -1.137 -7.665 7.484 1.00 0.32 C ATOM 1868 CG GLU B 15 0.131 -8.420 7.133 1.00 0.32 C ATOM 1869 CD GLU B 15 0.691 -9.187 8.309 1.00 0.38 C ATOM 1870 OE1 GLU B 15 0.959 -8.565 9.360 1.00 1.25 O ATOM 1871 OE2 GLU B 15 0.862 -10.418 8.188 1.00 1.06 O ATOM 0 H GLU B 15 0.135 -5.836 6.466 1.00 0.24 H new ATOM 0 HA GLU B 15 -1.950 -7.511 5.509 1.00 0.28 H new ATOM 0 HB2 GLU B 15 -0.936 -7.003 8.326 1.00 0.32 H new ATOM 0 HB3 GLU B 15 -1.896 -8.376 7.811 1.00 0.32 H new ATOM 0 HG2 GLU B 15 -0.076 -9.112 6.317 1.00 0.32 H new ATOM 0 HG3 GLU B 15 0.881 -7.716 6.772 1.00 0.32 H new ATOM 1878 N SER B 16 -2.671 -4.872 7.186 1.00 0.31 N ATOM 1879 CA SER B 16 -3.727 -4.035 7.660 1.00 0.37 C ATOM 1880 C SER B 16 -4.552 -3.522 6.487 1.00 0.28 C ATOM 1881 O SER B 16 -5.736 -3.229 6.631 1.00 0.28 O ATOM 1882 CB SER B 16 -3.145 -2.907 8.488 1.00 0.54 C ATOM 1883 OG SER B 16 -2.398 -3.422 9.580 1.00 0.97 O ATOM 0 H SER B 16 -1.752 -4.429 7.170 1.00 0.31 H new ATOM 0 HA SER B 16 -4.398 -4.606 8.301 1.00 0.37 H new ATOM 0 HB2 SER B 16 -2.504 -2.284 7.864 1.00 0.54 H new ATOM 0 HB3 SER B 16 -3.947 -2.269 8.858 1.00 0.54 H new ATOM 0 HG SER B 16 -1.468 -3.560 9.304 1.00 0.97 H new ATOM 1889 N LEU B 17 -3.928 -3.441 5.318 1.00 0.27 N ATOM 1890 CA LEU B 17 -4.671 -3.198 4.091 1.00 0.28 C ATOM 1891 C LEU B 17 -5.505 -4.428 3.791 1.00 0.27 C ATOM 1892 O LEU B 17 -6.655 -4.321 3.385 1.00 0.32 O ATOM 1893 CB LEU B 17 -3.734 -2.909 2.921 1.00 0.29 C ATOM 1894 CG LEU B 17 -2.659 -1.863 3.203 1.00 0.33 C ATOM 1895 CD1 LEU B 17 -1.672 -1.778 2.050 1.00 0.33 C ATOM 1896 CD2 LEU B 17 -3.286 -0.499 3.470 1.00 0.46 C ATOM 0 H LEU B 17 -2.920 -3.539 5.195 1.00 0.27 H new ATOM 0 HA LEU B 17 -5.308 -2.323 4.225 1.00 0.28 H new ATOM 0 HB2 LEU B 17 -3.247 -3.839 2.626 1.00 0.29 H new ATOM 0 HB3 LEU B 17 -4.330 -2.577 2.071 1.00 0.29 H new ATOM 0 HG LEU B 17 -2.117 -2.171 4.097 1.00 0.33 H new ATOM 0 HD11 LEU B 17 -0.915 -1.026 2.274 1.00 0.33 H new ATOM 0 HD12 LEU B 17 -1.191 -2.746 1.910 1.00 0.33 H new ATOM 0 HD13 LEU B 17 -2.201 -1.501 1.138 1.00 0.33 H new ATOM 0 HD21 LEU B 17 -2.500 0.230 3.668 1.00 0.46 H new ATOM 0 HD22 LEU B 17 -3.860 -0.186 2.598 1.00 0.46 H new ATOM 0 HD23 LEU B 17 -3.946 -0.565 4.335 1.00 0.46 H new ATOM 1908 N ILE B 18 -4.908 -5.605 4.017 1.00 0.27 N ATOM 1909 CA ILE B 18 -5.646 -6.862 3.942 1.00 0.30 C ATOM 1910 C ILE B 18 -6.846 -6.807 4.880 1.00 0.28 C ATOM 1911 O ILE B 18 -7.941 -7.224 4.521 1.00 0.30 O ATOM 1912 CB ILE B 18 -4.761 -8.106 4.285 1.00 0.36 C ATOM 1913 CG1 ILE B 18 -3.956 -8.559 3.066 1.00 0.62 C ATOM 1914 CG2 ILE B 18 -5.609 -9.266 4.800 1.00 0.47 C ATOM 1915 CD1 ILE B 18 -2.711 -7.747 2.800 1.00 1.37 C ATOM 0 H ILE B 18 -3.921 -5.708 4.252 1.00 0.27 H new ATOM 0 HA ILE B 18 -5.977 -6.981 2.910 1.00 0.30 H new ATOM 0 HB ILE B 18 -4.071 -7.803 5.073 1.00 0.36 H new ATOM 0 HG12 ILE B 18 -3.672 -9.602 3.202 1.00 0.62 H new ATOM 0 HG13 ILE B 18 -4.598 -8.515 2.186 1.00 0.62 H new ATOM 0 HG21 ILE B 18 -4.964 -10.114 5.029 1.00 0.47 H new ATOM 0 HG22 ILE B 18 -6.138 -8.958 5.702 1.00 0.47 H new ATOM 0 HG23 ILE B 18 -6.332 -9.555 4.037 1.00 0.47 H new ATOM 0 HD11 ILE B 18 -2.203 -8.138 1.918 1.00 1.37 H new ATOM 0 HD12 ILE B 18 -2.985 -6.706 2.629 1.00 1.37 H new ATOM 0 HD13 ILE B 18 -2.045 -7.810 3.660 1.00 1.37 H new ATOM 1927 N ALA B 19 -6.632 -6.254 6.067 1.00 0.25 N ATOM 1928 CA ALA B 19 -7.679 -6.144 7.066 1.00 0.25 C ATOM 1929 C ALA B 19 -8.844 -5.294 6.568 1.00 0.23 C ATOM 1930 O ALA B 19 -9.966 -5.787 6.459 1.00 0.27 O ATOM 1931 CB ALA B 19 -7.119 -5.575 8.361 1.00 0.28 C ATOM 0 H ALA B 19 -5.733 -5.872 6.360 1.00 0.25 H new ATOM 0 HA ALA B 19 -8.061 -7.147 7.258 1.00 0.25 H new ATOM 0 HB1 ALA B 19 -7.917 -5.499 9.100 1.00 0.28 H new ATOM 0 HB2 ALA B 19 -6.336 -6.233 8.739 1.00 0.28 H new ATOM 0 HB3 ALA B 19 -6.702 -4.585 8.173 1.00 0.28 H new ATOM 1937 N VAL B 20 -8.578 -4.027 6.241 1.00 0.20 N ATOM 1938 CA VAL B 20 -9.642 -3.113 5.828 1.00 0.22 C ATOM 1939 C VAL B 20 -10.257 -3.575 4.515 1.00 0.23 C ATOM 1940 O VAL B 20 -11.474 -3.509 4.328 1.00 0.27 O ATOM 1941 CB VAL B 20 -9.156 -1.643 5.697 1.00 0.27 C ATOM 1942 CG1 VAL B 20 -8.126 -1.342 6.756 1.00 0.87 C ATOM 1943 CG2 VAL B 20 -8.584 -1.333 4.319 1.00 0.87 C ATOM 0 H VAL B 20 -7.645 -3.615 6.254 1.00 0.20 H new ATOM 0 HA VAL B 20 -10.396 -3.134 6.615 1.00 0.22 H new ATOM 0 HB VAL B 20 -10.030 -1.007 5.835 1.00 0.27 H new ATOM 0 HG11 VAL B 20 -7.792 -0.309 6.655 1.00 0.87 H new ATOM 0 HG12 VAL B 20 -8.566 -1.487 7.743 1.00 0.87 H new ATOM 0 HG13 VAL B 20 -7.275 -2.012 6.636 1.00 0.87 H new ATOM 0 HG21 VAL B 20 -8.260 -0.293 4.285 1.00 0.87 H new ATOM 0 HG22 VAL B 20 -7.732 -1.984 4.124 1.00 0.87 H new ATOM 0 HG23 VAL B 20 -9.350 -1.500 3.561 1.00 0.87 H new ATOM 1953 N PHE B 21 -9.419 -4.067 3.615 1.00 0.22 N ATOM 1954 CA PHE B 21 -9.914 -4.522 2.326 1.00 0.25 C ATOM 1955 C PHE B 21 -10.814 -5.738 2.480 1.00 0.29 C ATOM 1956 O PHE B 21 -11.920 -5.753 1.971 1.00 0.35 O ATOM 1957 CB PHE B 21 -8.772 -4.847 1.369 1.00 0.26 C ATOM 1958 CG PHE B 21 -9.244 -5.395 0.054 1.00 0.91 C ATOM 1959 CD1 PHE B 21 -9.681 -4.543 -0.945 1.00 1.85 C ATOM 1960 CD2 PHE B 21 -9.257 -6.762 -0.178 1.00 1.59 C ATOM 1961 CE1 PHE B 21 -10.121 -5.041 -2.153 1.00 2.48 C ATOM 1962 CE2 PHE B 21 -9.697 -7.266 -1.384 1.00 2.17 C ATOM 1963 CZ PHE B 21 -10.130 -6.405 -2.372 1.00 2.40 C ATOM 0 H PHE B 21 -8.412 -4.160 3.749 1.00 0.22 H new ATOM 0 HA PHE B 21 -10.496 -3.703 1.904 1.00 0.25 H new ATOM 0 HB2 PHE B 21 -8.187 -3.945 1.191 1.00 0.26 H new ATOM 0 HB3 PHE B 21 -8.106 -5.571 1.840 1.00 0.26 H new ATOM 0 HD1 PHE B 21 -9.677 -3.476 -0.777 1.00 1.85 H new ATOM 0 HD2 PHE B 21 -8.919 -7.439 0.593 1.00 1.59 H new ATOM 0 HE1 PHE B 21 -10.458 -4.366 -2.926 1.00 2.48 H new ATOM 0 HE2 PHE B 21 -9.703 -8.332 -1.555 1.00 2.17 H new ATOM 0 HZ PHE B 21 -10.476 -6.798 -3.317 1.00 2.40 H new ATOM 1973 N GLN B 22 -10.351 -6.740 3.204 1.00 0.30 N ATOM 1974 CA GLN B 22 -11.049 -8.016 3.267 1.00 0.37 C ATOM 1975 C GLN B 22 -12.398 -7.878 3.961 1.00 0.36 C ATOM 1976 O GLN B 22 -13.347 -8.598 3.638 1.00 0.44 O ATOM 1977 CB GLN B 22 -10.191 -9.054 3.990 1.00 0.47 C ATOM 1978 CG GLN B 22 -10.766 -10.453 3.950 1.00 1.11 C ATOM 1979 CD GLN B 22 -10.570 -11.143 2.614 1.00 1.98 C ATOM 1980 OE1 GLN B 22 -10.470 -10.503 1.567 1.00 2.68 O ATOM 1981 NE2 GLN B 22 -10.525 -12.464 2.642 1.00 2.65 N ATOM 0 H GLN B 22 -9.495 -6.698 3.757 1.00 0.30 H new ATOM 0 HA GLN B 22 -11.228 -8.349 2.245 1.00 0.37 H new ATOM 0 HB2 GLN B 22 -9.197 -9.066 3.542 1.00 0.47 H new ATOM 0 HB3 GLN B 22 -10.069 -8.751 5.030 1.00 0.47 H new ATOM 0 HG2 GLN B 22 -10.301 -11.052 4.733 1.00 1.11 H new ATOM 0 HG3 GLN B 22 -11.832 -10.407 4.175 1.00 1.11 H new ATOM 0 HE21 GLN B 22 -10.612 -12.959 3.530 1.00 2.65 H new ATOM 0 HE22 GLN B 22 -10.404 -12.989 1.776 1.00 2.65 H new ATOM 1990 N LYS B 23 -12.495 -6.951 4.899 1.00 0.35 N ATOM 1991 CA LYS B 23 -13.732 -6.780 5.637 1.00 0.39 C ATOM 1992 C LYS B 23 -14.781 -6.043 4.808 1.00 0.41 C ATOM 1993 O LYS B 23 -15.969 -6.367 4.868 1.00 0.49 O ATOM 1994 CB LYS B 23 -13.484 -6.079 6.986 1.00 0.41 C ATOM 1995 CG LYS B 23 -12.825 -4.714 6.901 1.00 0.42 C ATOM 1996 CD LYS B 23 -12.144 -4.371 8.218 1.00 0.63 C ATOM 1997 CE LYS B 23 -12.516 -2.987 8.717 1.00 0.64 C ATOM 1998 NZ LYS B 23 -12.027 -2.747 10.099 1.00 0.91 N ATOM 0 H LYS B 23 -11.743 -6.314 5.164 1.00 0.35 H new ATOM 0 HA LYS B 23 -14.128 -7.773 5.850 1.00 0.39 H new ATOM 0 HB2 LYS B 23 -14.439 -5.971 7.501 1.00 0.41 H new ATOM 0 HB3 LYS B 23 -12.861 -6.726 7.603 1.00 0.41 H new ATOM 0 HG2 LYS B 23 -12.093 -4.706 6.093 1.00 0.42 H new ATOM 0 HG3 LYS B 23 -13.572 -3.957 6.662 1.00 0.42 H new ATOM 0 HD2 LYS B 23 -12.418 -5.111 8.970 1.00 0.63 H new ATOM 0 HD3 LYS B 23 -11.063 -4.431 8.092 1.00 0.63 H new ATOM 0 HE2 LYS B 23 -12.097 -2.235 8.048 1.00 0.64 H new ATOM 0 HE3 LYS B 23 -13.599 -2.870 8.690 1.00 0.64 H new ATOM 0 HZ1 LYS B 23 -12.301 -1.791 10.403 1.00 0.91 H new ATOM 0 HZ2 LYS B 23 -12.446 -3.449 10.742 1.00 0.91 H new ATOM 0 HZ3 LYS B 23 -10.991 -2.833 10.120 1.00 0.91 H new ATOM 2012 N TYR B 24 -14.351 -5.054 4.035 1.00 0.36 N ATOM 2013 CA TYR B 24 -15.284 -4.270 3.237 1.00 0.39 C ATOM 2014 C TYR B 24 -15.528 -4.870 1.855 1.00 0.34 C ATOM 2015 O TYR B 24 -16.655 -4.907 1.380 1.00 0.40 O ATOM 2016 CB TYR B 24 -14.811 -2.824 3.154 1.00 0.46 C ATOM 2017 CG TYR B 24 -14.733 -2.184 4.523 1.00 0.86 C ATOM 2018 CD1 TYR B 24 -15.801 -2.288 5.408 1.00 1.52 C ATOM 2019 CD2 TYR B 24 -13.607 -1.494 4.938 1.00 1.66 C ATOM 2020 CE1 TYR B 24 -15.748 -1.717 6.662 1.00 1.83 C ATOM 2021 CE2 TYR B 24 -13.550 -0.923 6.195 1.00 1.99 C ATOM 2022 CZ TYR B 24 -14.624 -1.035 7.050 1.00 1.71 C ATOM 2023 OH TYR B 24 -14.568 -0.463 8.300 1.00 2.15 O ATOM 0 H TYR B 24 -13.373 -4.778 3.944 1.00 0.36 H new ATOM 0 HA TYR B 24 -16.250 -4.292 3.741 1.00 0.39 H new ATOM 0 HB2 TYR B 24 -13.831 -2.788 2.678 1.00 0.46 H new ATOM 0 HB3 TYR B 24 -15.493 -2.253 2.523 1.00 0.46 H new ATOM 0 HD1 TYR B 24 -16.688 -2.826 5.107 1.00 1.52 H new ATOM 0 HD2 TYR B 24 -12.763 -1.401 4.271 1.00 1.66 H new ATOM 0 HE1 TYR B 24 -16.588 -1.807 7.335 1.00 1.83 H new ATOM 0 HE2 TYR B 24 -12.664 -0.389 6.507 1.00 1.99 H new ATOM 0 HH TYR B 24 -14.319 0.481 8.217 1.00 2.15 H new ATOM 2033 N ALA B 25 -14.474 -5.348 1.225 1.00 0.29 N ATOM 2034 CA ALA B 25 -14.565 -5.942 -0.101 1.00 0.34 C ATOM 2035 C ALA B 25 -15.125 -7.357 -0.029 1.00 0.47 C ATOM 2036 O ALA B 25 -15.570 -7.925 -1.029 1.00 0.58 O ATOM 2037 CB ALA B 25 -13.192 -5.956 -0.741 1.00 0.37 C ATOM 0 H ALA B 25 -13.531 -5.338 1.613 1.00 0.29 H new ATOM 0 HA ALA B 25 -15.245 -5.343 -0.707 1.00 0.34 H new ATOM 0 HB1 ALA B 25 -13.258 -6.400 -1.734 1.00 0.37 H new ATOM 0 HB2 ALA B 25 -12.819 -4.935 -0.824 1.00 0.37 H new ATOM 0 HB3 ALA B 25 -12.510 -6.542 -0.126 1.00 0.37 H new ATOM 2043 N GLY B 26 -15.087 -7.928 1.164 1.00 0.50 N ATOM 2044 CA GLY B 26 -15.624 -9.258 1.366 1.00 0.64 C ATOM 2045 C GLY B 26 -17.140 -9.258 1.416 1.00 0.76 C ATOM 2046 O GLY B 26 -17.769 -10.311 1.525 1.00 0.96 O ATOM 0 H GLY B 26 -14.693 -7.494 1.999 1.00 0.50 H new ATOM 0 HA2 GLY B 26 -15.288 -9.911 0.560 1.00 0.64 H new ATOM 0 HA3 GLY B 26 -15.231 -9.670 2.295 1.00 0.64 H new ATOM 2147 N THR B 33 -13.782 -8.094 -4.062 1.00 0.66 N ATOM 2148 CA THR B 33 -13.734 -6.774 -4.661 1.00 0.45 C ATOM 2149 C THR B 33 -14.606 -5.821 -3.865 1.00 0.37 C ATOM 2150 O THR B 33 -15.690 -6.190 -3.414 1.00 0.44 O ATOM 2151 CB THR B 33 -14.248 -6.820 -6.110 1.00 0.45 C ATOM 2152 OG1 THR B 33 -14.717 -8.137 -6.425 1.00 0.66 O ATOM 2153 CG2 THR B 33 -13.194 -6.390 -7.119 1.00 0.43 C ATOM 0 HA THR B 33 -12.699 -6.431 -4.656 1.00 0.45 H new ATOM 0 HB THR B 33 -15.070 -6.108 -6.179 1.00 0.45 H new ATOM 0 HG1 THR B 33 -15.538 -8.073 -6.957 1.00 0.66 H new ATOM 0 HG21 THR B 33 -13.611 -6.442 -8.125 1.00 0.43 H new ATOM 0 HG22 THR B 33 -12.883 -5.367 -6.907 1.00 0.43 H new ATOM 0 HG23 THR B 33 -12.332 -7.053 -7.049 1.00 0.43 H new ATOM 2161 N LEU B 34 -14.128 -4.607 -3.696 1.00 0.32 N ATOM 2162 CA LEU B 34 -14.870 -3.576 -3.000 1.00 0.30 C ATOM 2163 C LEU B 34 -15.783 -2.891 -3.985 1.00 0.31 C ATOM 2164 O LEU B 34 -15.343 -2.114 -4.835 1.00 0.34 O ATOM 2165 CB LEU B 34 -13.886 -2.591 -2.364 1.00 0.29 C ATOM 2166 CG LEU B 34 -13.940 -2.505 -0.841 1.00 0.29 C ATOM 2167 CD1 LEU B 34 -12.712 -1.795 -0.298 1.00 0.45 C ATOM 2168 CD2 LEU B 34 -15.197 -1.790 -0.397 1.00 0.28 C ATOM 0 H LEU B 34 -13.215 -4.306 -4.037 1.00 0.32 H new ATOM 0 HA LEU B 34 -15.479 -4.004 -2.204 1.00 0.30 H new ATOM 0 HB2 LEU B 34 -12.875 -2.871 -2.660 1.00 0.29 H new ATOM 0 HB3 LEU B 34 -14.075 -1.599 -2.774 1.00 0.29 H new ATOM 0 HG LEU B 34 -13.955 -3.520 -0.443 1.00 0.29 H new ATOM 0 HD11 LEU B 34 -12.772 -1.745 0.789 1.00 0.45 H new ATOM 0 HD12 LEU B 34 -11.816 -2.345 -0.587 1.00 0.45 H new ATOM 0 HD13 LEU B 34 -12.666 -0.785 -0.706 1.00 0.45 H new ATOM 0 HD21 LEU B 34 -15.220 -1.737 0.691 1.00 0.28 H new ATOM 0 HD22 LEU B 34 -15.207 -0.781 -0.810 1.00 0.28 H new ATOM 0 HD23 LEU B 34 -16.071 -2.336 -0.752 1.00 0.28 H new ATOM 2180 N SER B 35 -17.056 -3.225 -3.877 1.00 0.31 N ATOM 2181 CA SER B 35 -18.052 -2.784 -4.829 1.00 0.33 C ATOM 2182 C SER B 35 -18.283 -1.288 -4.709 1.00 0.32 C ATOM 2183 O SER B 35 -17.763 -0.647 -3.796 1.00 0.30 O ATOM 2184 CB SER B 35 -19.349 -3.569 -4.630 1.00 0.37 C ATOM 2185 OG SER B 35 -20.263 -3.338 -5.688 1.00 0.40 O ATOM 0 H SER B 35 -17.426 -3.809 -3.127 1.00 0.31 H new ATOM 0 HA SER B 35 -17.689 -2.978 -5.838 1.00 0.33 H new ATOM 0 HB2 SER B 35 -19.125 -4.634 -4.567 1.00 0.37 H new ATOM 0 HB3 SER B 35 -19.807 -3.283 -3.683 1.00 0.37 H new ATOM 0 HG SER B 35 -21.081 -3.855 -5.532 1.00 0.40 H new ATOM 2191 N LYS B 36 -19.068 -0.742 -5.629 1.00 0.38 N ATOM 2192 CA LYS B 36 -19.233 0.697 -5.739 1.00 0.42 C ATOM 2193 C LYS B 36 -19.643 1.304 -4.406 1.00 0.36 C ATOM 2194 O LYS B 36 -18.888 2.064 -3.810 1.00 0.35 O ATOM 2195 CB LYS B 36 -20.267 1.037 -6.815 1.00 0.53 C ATOM 2196 CG LYS B 36 -20.337 2.519 -7.146 1.00 0.62 C ATOM 2197 CD LYS B 36 -19.028 3.017 -7.740 1.00 0.66 C ATOM 2198 CE LYS B 36 -19.101 4.487 -8.123 1.00 0.61 C ATOM 2199 NZ LYS B 36 -20.087 4.740 -9.204 1.00 0.65 N ATOM 0 H LYS B 36 -19.602 -1.280 -6.312 1.00 0.38 H new ATOM 0 HA LYS B 36 -18.272 1.124 -6.027 1.00 0.42 H new ATOM 0 HB2 LYS B 36 -20.031 0.481 -7.723 1.00 0.53 H new ATOM 0 HB3 LYS B 36 -21.249 0.701 -6.482 1.00 0.53 H new ATOM 0 HG2 LYS B 36 -21.149 2.698 -7.850 1.00 0.62 H new ATOM 0 HG3 LYS B 36 -20.567 3.085 -6.243 1.00 0.62 H new ATOM 0 HD2 LYS B 36 -18.223 2.869 -7.020 1.00 0.66 H new ATOM 0 HD3 LYS B 36 -18.780 2.424 -8.621 1.00 0.66 H new ATOM 0 HE2 LYS B 36 -19.368 5.076 -7.246 1.00 0.61 H new ATOM 0 HE3 LYS B 36 -18.116 4.825 -8.446 1.00 0.61 H new ATOM 0 HZ1 LYS B 36 -19.971 5.711 -9.559 1.00 0.65 H new ATOM 0 HZ2 LYS B 36 -19.931 4.066 -9.981 1.00 0.65 H new ATOM 0 HZ3 LYS B 36 -21.050 4.621 -8.830 1.00 0.65 H new ATOM 2213 N THR B 37 -20.804 0.915 -3.915 1.00 0.37 N ATOM 2214 CA THR B 37 -21.349 1.492 -2.701 1.00 0.38 C ATOM 2215 C THR B 37 -20.507 1.137 -1.481 1.00 0.36 C ATOM 2216 O THR B 37 -20.400 1.926 -0.534 1.00 0.38 O ATOM 2217 CB THR B 37 -22.782 1.018 -2.470 1.00 0.44 C ATOM 2218 OG1 THR B 37 -23.574 1.277 -3.638 1.00 0.47 O ATOM 2219 CG2 THR B 37 -23.381 1.731 -1.267 1.00 0.49 C ATOM 0 H THR B 37 -21.391 0.198 -4.341 1.00 0.37 H new ATOM 0 HA THR B 37 -21.337 2.574 -2.833 1.00 0.38 H new ATOM 0 HB THR B 37 -22.774 -0.054 -2.275 1.00 0.44 H new ATOM 0 HG1 THR B 37 -24.492 0.970 -3.486 1.00 0.47 H new ATOM 0 HG21 THR B 37 -24.403 1.386 -1.111 1.00 0.49 H new ATOM 0 HG22 THR B 37 -22.785 1.513 -0.381 1.00 0.49 H new ATOM 0 HG23 THR B 37 -23.385 2.806 -1.446 1.00 0.49 H new ATOM 2227 N GLU B 38 -19.900 -0.042 -1.508 1.00 0.34 N ATOM 2228 CA GLU B 38 -19.022 -0.457 -0.432 1.00 0.33 C ATOM 2229 C GLU B 38 -17.867 0.524 -0.385 1.00 0.33 C ATOM 2230 O GLU B 38 -17.615 1.161 0.629 1.00 0.48 O ATOM 2231 CB GLU B 38 -18.536 -1.882 -0.667 1.00 0.34 C ATOM 2232 CG GLU B 38 -19.673 -2.827 -1.025 1.00 0.47 C ATOM 2233 CD GLU B 38 -19.219 -4.242 -1.304 1.00 1.27 C ATOM 2234 OE1 GLU B 38 -18.060 -4.430 -1.715 1.00 2.16 O ATOM 2235 OE2 GLU B 38 -20.046 -5.165 -1.145 1.00 1.96 O ATOM 0 H GLU B 38 -20.001 -0.722 -2.261 1.00 0.34 H new ATOM 0 HA GLU B 38 -19.546 -0.455 0.524 1.00 0.33 H new ATOM 0 HB2 GLU B 38 -17.798 -1.884 -1.469 1.00 0.34 H new ATOM 0 HB3 GLU B 38 -18.033 -2.245 0.230 1.00 0.34 H new ATOM 0 HG2 GLU B 38 -20.394 -2.840 -0.208 1.00 0.47 H new ATOM 0 HG3 GLU B 38 -20.192 -2.441 -1.902 1.00 0.47 H new ATOM 2242 N PHE B 39 -17.246 0.730 -1.532 1.00 0.29 N ATOM 2243 CA PHE B 39 -16.110 1.620 -1.631 1.00 0.31 C ATOM 2244 C PHE B 39 -16.502 3.018 -1.204 1.00 0.28 C ATOM 2245 O PHE B 39 -15.765 3.685 -0.495 1.00 0.27 O ATOM 2246 CB PHE B 39 -15.587 1.647 -3.060 1.00 0.53 C ATOM 2247 CG PHE B 39 -14.274 2.350 -3.188 1.00 0.81 C ATOM 2248 CD1 PHE B 39 -13.170 1.897 -2.489 1.00 1.76 C ATOM 2249 CD2 PHE B 39 -14.145 3.466 -3.994 1.00 1.78 C ATOM 2250 CE1 PHE B 39 -11.959 2.542 -2.593 1.00 2.61 C ATOM 2251 CE2 PHE B 39 -12.937 4.117 -4.102 1.00 2.66 C ATOM 2252 CZ PHE B 39 -11.840 3.655 -3.402 1.00 2.87 C ATOM 0 H PHE B 39 -17.514 0.289 -2.412 1.00 0.29 H new ATOM 0 HA PHE B 39 -15.324 1.254 -0.971 1.00 0.31 H new ATOM 0 HB2 PHE B 39 -15.482 0.624 -3.422 1.00 0.53 H new ATOM 0 HB3 PHE B 39 -16.320 2.138 -3.700 1.00 0.53 H new ATOM 0 HD1 PHE B 39 -13.259 1.028 -1.855 1.00 1.76 H new ATOM 0 HD2 PHE B 39 -15.000 3.830 -4.544 1.00 1.78 H new ATOM 0 HE1 PHE B 39 -11.103 2.179 -2.043 1.00 2.61 H new ATOM 0 HE2 PHE B 39 -12.847 4.988 -4.734 1.00 2.66 H new ATOM 0 HZ PHE B 39 -10.891 4.163 -3.487 1.00 2.87 H new ATOM 2262 N LEU B 40 -17.678 3.441 -1.628 1.00 0.33 N ATOM 2263 CA LEU B 40 -18.185 4.758 -1.291 1.00 0.37 C ATOM 2264 C LEU B 40 -18.248 4.936 0.220 1.00 0.40 C ATOM 2265 O LEU B 40 -17.764 5.926 0.766 1.00 0.43 O ATOM 2266 CB LEU B 40 -19.579 4.954 -1.894 1.00 0.43 C ATOM 2267 CG LEU B 40 -19.696 4.738 -3.410 1.00 0.50 C ATOM 2268 CD1 LEU B 40 -20.870 5.515 -3.978 1.00 1.07 C ATOM 2269 CD2 LEU B 40 -18.403 5.097 -4.124 1.00 0.46 C ATOM 0 H LEU B 40 -18.305 2.886 -2.211 1.00 0.33 H new ATOM 0 HA LEU B 40 -17.507 5.505 -1.704 1.00 0.37 H new ATOM 0 HB2 LEU B 40 -20.267 4.271 -1.396 1.00 0.43 H new ATOM 0 HB3 LEU B 40 -19.913 5.966 -1.665 1.00 0.43 H new ATOM 0 HG LEU B 40 -19.879 3.677 -3.581 1.00 0.50 H new ATOM 0 HD11 LEU B 40 -20.932 5.346 -5.053 1.00 1.07 H new ATOM 0 HD12 LEU B 40 -21.792 5.179 -3.504 1.00 1.07 H new ATOM 0 HD13 LEU B 40 -20.730 6.579 -3.785 1.00 1.07 H new ATOM 0 HD21 LEU B 40 -18.521 4.932 -5.195 1.00 0.46 H new ATOM 0 HD22 LEU B 40 -18.166 6.145 -3.942 1.00 0.46 H new ATOM 0 HD23 LEU B 40 -17.594 4.471 -3.748 1.00 0.46 H new ATOM 2281 N SER B 41 -18.819 3.954 0.892 1.00 0.42 N ATOM 2282 CA SER B 41 -19.003 4.023 2.328 1.00 0.52 C ATOM 2283 C SER B 41 -17.668 3.887 3.058 1.00 0.45 C ATOM 2284 O SER B 41 -17.387 4.625 3.996 1.00 0.47 O ATOM 2285 CB SER B 41 -19.966 2.922 2.773 1.00 0.67 C ATOM 2286 OG SER B 41 -21.139 2.919 1.971 1.00 1.40 O ATOM 0 H SER B 41 -19.165 3.095 0.463 1.00 0.42 H new ATOM 0 HA SER B 41 -19.424 4.996 2.580 1.00 0.52 H new ATOM 0 HB2 SER B 41 -19.472 1.953 2.706 1.00 0.67 H new ATOM 0 HB3 SER B 41 -20.236 3.070 3.819 1.00 0.67 H new ATOM 0 HG SER B 41 -20.934 2.533 1.094 1.00 1.40 H new ATOM 2292 N PHE B 42 -16.842 2.964 2.589 1.00 0.42 N ATOM 2293 CA PHE B 42 -15.615 2.574 3.279 1.00 0.46 C ATOM 2294 C PHE B 42 -14.447 3.461 2.921 1.00 0.29 C ATOM 2295 O PHE B 42 -13.474 3.545 3.661 1.00 0.42 O ATOM 2296 CB PHE B 42 -15.383 1.105 3.016 1.00 0.80 C ATOM 2297 CG PHE B 42 -16.617 0.349 3.442 1.00 1.89 C ATOM 2298 CD1 PHE B 42 -17.230 0.663 4.651 1.00 2.69 C ATOM 2299 CD2 PHE B 42 -17.208 -0.598 2.630 1.00 2.77 C ATOM 2300 CE1 PHE B 42 -18.395 0.039 5.038 1.00 3.73 C ATOM 2301 CE2 PHE B 42 -18.383 -1.216 3.009 1.00 3.80 C ATOM 2302 CZ PHE B 42 -18.976 -0.897 4.216 1.00 4.13 C ATOM 0 H PHE B 42 -17.002 2.461 1.716 1.00 0.42 H new ATOM 0 HA PHE B 42 -15.721 2.718 4.354 1.00 0.46 H new ATOM 0 HB2 PHE B 42 -15.180 0.936 1.959 1.00 0.80 H new ATOM 0 HB3 PHE B 42 -14.512 0.753 3.569 1.00 0.80 H new ATOM 0 HD1 PHE B 42 -16.786 1.407 5.295 1.00 2.69 H new ATOM 0 HD2 PHE B 42 -16.747 -0.858 1.689 1.00 2.77 H new ATOM 0 HE1 PHE B 42 -18.851 0.285 5.986 1.00 3.73 H new ATOM 0 HE2 PHE B 42 -18.839 -1.950 2.361 1.00 3.80 H new ATOM 0 HZ PHE B 42 -19.894 -1.382 4.513 1.00 4.13 H new ATOM 2312 N MET B 43 -14.537 4.142 1.804 1.00 0.26 N ATOM 2313 CA MET B 43 -13.589 5.195 1.525 1.00 0.29 C ATOM 2314 C MET B 43 -14.015 6.461 2.249 1.00 0.29 C ATOM 2315 O MET B 43 -13.210 7.336 2.511 1.00 0.37 O ATOM 2316 CB MET B 43 -13.467 5.460 0.039 1.00 0.38 C ATOM 2317 CG MET B 43 -12.361 6.452 -0.295 1.00 0.62 C ATOM 2318 SD MET B 43 -11.990 6.581 -2.052 1.00 1.22 S ATOM 2319 CE MET B 43 -10.634 7.751 -2.003 1.00 2.25 C ATOM 0 H MET B 43 -15.244 3.991 1.084 1.00 0.26 H new ATOM 0 HA MET B 43 -12.610 4.876 1.881 1.00 0.29 H new ATOM 0 HB2 MET B 43 -13.274 4.520 -0.478 1.00 0.38 H new ATOM 0 HB3 MET B 43 -14.416 5.842 -0.336 1.00 0.38 H new ATOM 0 HG2 MET B 43 -12.646 7.436 0.078 1.00 0.62 H new ATOM 0 HG3 MET B 43 -11.455 6.161 0.236 1.00 0.62 H new ATOM 0 HE1 MET B 43 -9.923 7.517 -2.795 1.00 2.25 H new ATOM 0 HE2 MET B 43 -11.019 8.760 -2.148 1.00 2.25 H new ATOM 0 HE3 MET B 43 -10.134 7.689 -1.036 1.00 2.25 H new ATOM 2329 N ASN B 44 -15.288 6.558 2.579 1.00 0.29 N ATOM 2330 CA ASN B 44 -15.767 7.692 3.352 1.00 0.33 C ATOM 2331 C ASN B 44 -15.683 7.394 4.847 1.00 0.32 C ATOM 2332 O ASN B 44 -15.931 8.262 5.682 1.00 0.39 O ATOM 2333 CB ASN B 44 -17.189 8.045 2.931 1.00 0.42 C ATOM 2334 CG ASN B 44 -17.716 9.308 3.578 1.00 1.05 C ATOM 2335 OD1 ASN B 44 -17.457 10.409 3.105 1.00 1.53 O ATOM 2336 ND2 ASN B 44 -18.485 9.158 4.647 1.00 1.83 N ATOM 0 H ASN B 44 -16.003 5.875 2.329 1.00 0.29 H new ATOM 0 HA ASN B 44 -15.131 8.555 3.153 1.00 0.33 H new ATOM 0 HB2 ASN B 44 -17.220 8.161 1.848 1.00 0.42 H new ATOM 0 HB3 ASN B 44 -17.850 7.215 3.182 1.00 0.42 H new ATOM 0 HD21 ASN B 44 -18.885 9.976 5.106 1.00 1.83 H new ATOM 0 HD22 ASN B 44 -18.677 8.224 5.010 1.00 1.83 H new ATOM 2343 N THR B 45 -15.327 6.164 5.186 1.00 0.27 N ATOM 2344 CA THR B 45 -15.069 5.816 6.576 1.00 0.29 C ATOM 2345 C THR B 45 -13.579 5.697 6.817 1.00 0.28 C ATOM 2346 O THR B 45 -13.002 6.429 7.621 1.00 0.34 O ATOM 2347 CB THR B 45 -15.738 4.494 7.004 1.00 0.30 C ATOM 2348 OG1 THR B 45 -15.411 3.448 6.084 1.00 0.34 O ATOM 2349 CG2 THR B 45 -17.245 4.644 7.096 1.00 0.34 C ATOM 0 H THR B 45 -15.211 5.396 4.525 1.00 0.27 H new ATOM 0 HA THR B 45 -15.499 6.620 7.173 1.00 0.29 H new ATOM 0 HB THR B 45 -15.358 4.235 7.992 1.00 0.30 H new ATOM 0 HG1 THR B 45 -15.557 2.579 6.512 1.00 0.34 H new ATOM 0 HG21 THR B 45 -17.687 3.695 7.400 1.00 0.34 H new ATOM 0 HG22 THR B 45 -17.490 5.411 7.831 1.00 0.34 H new ATOM 0 HG23 THR B 45 -17.642 4.934 6.123 1.00 0.34 H new ATOM 2357 N GLU B 46 -12.957 4.781 6.093 1.00 0.23 N ATOM 2358 CA GLU B 46 -11.557 4.487 6.285 1.00 0.25 C ATOM 2359 C GLU B 46 -10.697 5.501 5.565 1.00 0.25 C ATOM 2360 O GLU B 46 -9.519 5.626 5.848 1.00 0.34 O ATOM 2361 CB GLU B 46 -11.210 3.086 5.794 1.00 0.29 C ATOM 2362 CG GLU B 46 -12.177 2.006 6.236 1.00 0.57 C ATOM 2363 CD GLU B 46 -12.432 2.000 7.731 1.00 1.17 C ATOM 2364 OE1 GLU B 46 -11.474 1.828 8.510 1.00 1.70 O ATOM 2365 OE2 GLU B 46 -13.605 2.147 8.133 1.00 1.68 O ATOM 0 H GLU B 46 -13.408 4.228 5.364 1.00 0.23 H new ATOM 0 HA GLU B 46 -11.358 4.538 7.355 1.00 0.25 H new ATOM 0 HB2 GLU B 46 -11.170 3.096 4.705 1.00 0.29 H new ATOM 0 HB3 GLU B 46 -10.212 2.828 6.147 1.00 0.29 H new ATOM 0 HG2 GLU B 46 -13.124 2.141 5.714 1.00 0.57 H new ATOM 0 HG3 GLU B 46 -11.785 1.034 5.938 1.00 0.57 H new ATOM 2372 N LEU B 47 -11.269 6.212 4.615 1.00 0.25 N ATOM 2373 CA LEU B 47 -10.501 7.238 3.919 1.00 0.26 C ATOM 2374 C LEU B 47 -11.186 8.588 3.971 1.00 0.28 C ATOM 2375 O LEU B 47 -10.961 9.443 3.117 1.00 0.30 O ATOM 2376 CB LEU B 47 -10.250 6.812 2.485 1.00 0.26 C ATOM 2377 CG LEU B 47 -9.363 5.580 2.352 1.00 0.27 C ATOM 2378 CD1 LEU B 47 -9.297 5.120 0.911 1.00 0.32 C ATOM 2379 CD2 LEU B 47 -7.974 5.882 2.896 1.00 0.28 C ATOM 0 H LEU B 47 -12.236 6.108 4.309 1.00 0.25 H new ATOM 0 HA LEU B 47 -9.544 7.348 4.429 1.00 0.26 H new ATOM 0 HB2 LEU B 47 -11.207 6.612 2.003 1.00 0.26 H new ATOM 0 HB3 LEU B 47 -9.789 7.640 1.946 1.00 0.26 H new ATOM 0 HG LEU B 47 -9.795 4.768 2.937 1.00 0.27 H new ATOM 0 HD11 LEU B 47 -8.659 4.239 0.839 1.00 0.32 H new ATOM 0 HD12 LEU B 47 -10.299 4.871 0.562 1.00 0.32 H new ATOM 0 HD13 LEU B 47 -8.886 5.918 0.293 1.00 0.32 H new ATOM 0 HD21 LEU B 47 -7.345 4.997 2.798 1.00 0.28 H new ATOM 0 HD22 LEU B 47 -7.534 6.705 2.333 1.00 0.28 H new ATOM 0 HD23 LEU B 47 -8.048 6.160 3.947 1.00 0.28 H new ATOM 2391 N ALA B 48 -12.039 8.757 4.967 1.00 0.32 N ATOM 2392 CA ALA B 48 -12.709 10.021 5.217 1.00 0.37 C ATOM 2393 C ALA B 48 -11.731 11.196 5.261 1.00 0.39 C ATOM 2394 O ALA B 48 -12.072 12.303 4.849 1.00 0.44 O ATOM 2395 CB ALA B 48 -13.486 9.928 6.514 1.00 0.41 C ATOM 0 H ALA B 48 -12.287 8.019 5.626 1.00 0.32 H new ATOM 0 HA ALA B 48 -13.392 10.211 4.389 1.00 0.37 H new ATOM 0 HB1 ALA B 48 -13.990 10.875 6.705 1.00 0.41 H new ATOM 0 HB2 ALA B 48 -14.226 9.132 6.438 1.00 0.41 H new ATOM 0 HB3 ALA B 48 -12.801 9.710 7.334 1.00 0.41 H new ATOM 2401 N ALA B 49 -10.517 10.943 5.746 1.00 0.38 N ATOM 2402 CA ALA B 49 -9.473 11.963 5.798 1.00 0.41 C ATOM 2403 C ALA B 49 -9.193 12.527 4.413 1.00 0.41 C ATOM 2404 O ALA B 49 -8.994 13.732 4.239 1.00 0.47 O ATOM 2405 CB ALA B 49 -8.198 11.373 6.376 1.00 0.44 C ATOM 0 H ALA B 49 -10.231 10.034 6.111 1.00 0.38 H new ATOM 0 HA ALA B 49 -9.822 12.773 6.438 1.00 0.41 H new ATOM 0 HB1 ALA B 49 -7.425 12.141 6.411 1.00 0.44 H new ATOM 0 HB2 ALA B 49 -8.391 11.006 7.384 1.00 0.44 H new ATOM 0 HB3 ALA B 49 -7.862 10.548 5.748 1.00 0.44 H new ATOM 2411 N PHE B 50 -9.172 11.640 3.437 1.00 0.36 N ATOM 2412 CA PHE B 50 -8.901 12.007 2.060 1.00 0.37 C ATOM 2413 C PHE B 50 -10.182 12.452 1.369 1.00 0.38 C ATOM 2414 O PHE B 50 -10.223 13.484 0.698 1.00 0.44 O ATOM 2415 CB PHE B 50 -8.317 10.805 1.331 1.00 0.35 C ATOM 2416 CG PHE B 50 -7.650 11.147 0.030 1.00 0.70 C ATOM 2417 CD1 PHE B 50 -6.372 11.680 0.016 1.00 1.33 C ATOM 2418 CD2 PHE B 50 -8.295 10.928 -1.175 1.00 1.63 C ATOM 2419 CE1 PHE B 50 -5.749 11.991 -1.177 1.00 1.67 C ATOM 2420 CE2 PHE B 50 -7.677 11.238 -2.371 1.00 2.10 C ATOM 2421 CZ PHE B 50 -6.402 11.769 -2.372 1.00 1.80 C ATOM 0 H PHE B 50 -9.342 10.644 3.576 1.00 0.36 H new ATOM 0 HA PHE B 50 -8.191 12.834 2.042 1.00 0.37 H new ATOM 0 HB2 PHE B 50 -7.593 10.315 1.981 1.00 0.35 H new ATOM 0 HB3 PHE B 50 -9.113 10.085 1.141 1.00 0.35 H new ATOM 0 HD1 PHE B 50 -5.856 11.855 0.949 1.00 1.33 H new ATOM 0 HD2 PHE B 50 -9.291 10.511 -1.180 1.00 1.63 H new ATOM 0 HE1 PHE B 50 -4.752 12.407 -1.174 1.00 1.67 H new ATOM 0 HE2 PHE B 50 -8.191 11.065 -3.305 1.00 2.10 H new ATOM 0 HZ PHE B 50 -5.917 12.010 -3.306 1.00 1.80 H new ATOM 2431 N THR B 51 -11.221 11.654 1.556 1.00 0.36 N ATOM 2432 CA THR B 51 -12.516 11.877 0.940 1.00 0.40 C ATOM 2433 C THR B 51 -13.076 13.255 1.269 1.00 0.45 C ATOM 2434 O THR B 51 -13.343 14.051 0.375 1.00 0.53 O ATOM 2435 CB THR B 51 -13.497 10.798 1.413 1.00 0.39 C ATOM 2436 OG1 THR B 51 -13.051 9.514 0.963 1.00 0.39 O ATOM 2437 CG2 THR B 51 -14.909 11.067 0.915 1.00 0.49 C ATOM 0 H THR B 51 -11.187 10.824 2.147 1.00 0.36 H new ATOM 0 HA THR B 51 -12.385 11.823 -0.141 1.00 0.40 H new ATOM 0 HB THR B 51 -13.524 10.816 2.503 1.00 0.39 H new ATOM 0 HG1 THR B 51 -13.192 8.852 1.672 1.00 0.39 H new ATOM 0 HG21 THR B 51 -15.576 10.281 1.270 1.00 0.49 H new ATOM 0 HG22 THR B 51 -15.250 12.031 1.292 1.00 0.49 H new ATOM 0 HG23 THR B 51 -14.914 11.082 -0.175 1.00 0.49 H new ATOM 2445 N LYS B 52 -13.205 13.550 2.557 1.00 0.47 N ATOM 2446 CA LYS B 52 -13.851 14.784 2.994 1.00 0.60 C ATOM 2447 C LYS B 52 -13.026 16.004 2.625 1.00 0.69 C ATOM 2448 O LYS B 52 -13.504 17.137 2.695 1.00 0.84 O ATOM 2449 CB LYS B 52 -14.080 14.770 4.501 1.00 0.70 C ATOM 2450 CG LYS B 52 -15.048 13.697 4.970 1.00 0.78 C ATOM 2451 CD LYS B 52 -16.331 13.718 4.157 1.00 1.07 C ATOM 2452 CE LYS B 52 -17.431 12.915 4.825 1.00 1.24 C ATOM 2453 NZ LYS B 52 -18.594 12.723 3.920 1.00 1.82 N ATOM 0 H LYS B 52 -12.873 12.955 3.316 1.00 0.47 H new ATOM 0 HA LYS B 52 -14.811 14.843 2.481 1.00 0.60 H new ATOM 0 HB2 LYS B 52 -13.123 14.625 5.002 1.00 0.70 H new ATOM 0 HB3 LYS B 52 -14.457 15.745 4.810 1.00 0.70 H new ATOM 0 HG2 LYS B 52 -14.577 12.717 4.886 1.00 0.78 H new ATOM 0 HG3 LYS B 52 -15.280 13.849 6.024 1.00 0.78 H new ATOM 0 HD2 LYS B 52 -16.661 14.748 4.025 1.00 1.07 H new ATOM 0 HD3 LYS B 52 -16.139 13.315 3.163 1.00 1.07 H new ATOM 0 HE2 LYS B 52 -17.041 11.943 5.128 1.00 1.24 H new ATOM 0 HE3 LYS B 52 -17.755 13.425 5.732 1.00 1.24 H new ATOM 0 HZ1 LYS B 52 -19.470 12.704 4.480 1.00 1.82 H new ATOM 0 HZ2 LYS B 52 -18.636 13.507 3.238 1.00 1.82 H new ATOM 0 HZ3 LYS B 52 -18.491 11.824 3.408 1.00 1.82 H new ATOM 2546 N GLY B 58 -18.843 11.940 -5.417 1.00 0.67 N ATOM 2547 CA GLY B 58 -18.385 11.921 -6.795 1.00 0.56 C ATOM 2548 C GLY B 58 -16.896 11.704 -6.919 1.00 0.49 C ATOM 2549 O GLY B 58 -16.416 11.244 -7.951 1.00 0.48 O ATOM 0 HA2 GLY B 58 -18.908 11.132 -7.335 1.00 0.56 H new ATOM 0 HA3 GLY B 58 -18.650 12.864 -7.273 1.00 0.56 H new ATOM 2553 N VAL B 59 -16.161 12.024 -5.871 1.00 0.52 N ATOM 2554 CA VAL B 59 -14.721 11.848 -5.886 1.00 0.52 C ATOM 2555 C VAL B 59 -14.352 10.378 -5.820 1.00 0.49 C ATOM 2556 O VAL B 59 -13.468 9.918 -6.543 1.00 0.49 O ATOM 2557 CB VAL B 59 -14.041 12.612 -4.731 1.00 0.61 C ATOM 2558 CG1 VAL B 59 -14.678 12.255 -3.399 1.00 0.65 C ATOM 2559 CG2 VAL B 59 -12.549 12.323 -4.700 1.00 0.66 C ATOM 0 H VAL B 59 -16.535 12.406 -5.002 1.00 0.52 H new ATOM 0 HA VAL B 59 -14.359 12.261 -6.827 1.00 0.52 H new ATOM 0 HB VAL B 59 -14.182 13.679 -4.903 1.00 0.61 H new ATOM 0 HG11 VAL B 59 -14.182 12.806 -2.599 1.00 0.65 H new ATOM 0 HG12 VAL B 59 -15.736 12.518 -3.419 1.00 0.65 H new ATOM 0 HG13 VAL B 59 -14.574 11.185 -3.221 1.00 0.65 H new ATOM 0 HG21 VAL B 59 -12.089 12.872 -3.878 1.00 0.66 H new ATOM 0 HG22 VAL B 59 -12.388 11.254 -4.558 1.00 0.66 H new ATOM 0 HG23 VAL B 59 -12.098 12.635 -5.642 1.00 0.66 H new ATOM 2569 N LEU B 60 -15.052 9.639 -4.982 1.00 0.48 N ATOM 2570 CA LEU B 60 -14.811 8.214 -4.852 1.00 0.46 C ATOM 2571 C LEU B 60 -15.260 7.530 -6.125 1.00 0.43 C ATOM 2572 O LEU B 60 -14.816 6.432 -6.461 1.00 0.41 O ATOM 2573 CB LEU B 60 -15.568 7.638 -3.661 1.00 0.48 C ATOM 2574 CG LEU B 60 -15.642 8.551 -2.436 1.00 0.52 C ATOM 2575 CD1 LEU B 60 -16.432 7.891 -1.320 1.00 0.51 C ATOM 2576 CD2 LEU B 60 -14.250 8.918 -1.961 1.00 0.52 C ATOM 0 H LEU B 60 -15.792 10.001 -4.381 1.00 0.48 H new ATOM 0 HA LEU B 60 -13.747 8.045 -4.686 1.00 0.46 H new ATOM 0 HB2 LEU B 60 -16.583 7.397 -3.977 1.00 0.48 H new ATOM 0 HB3 LEU B 60 -15.095 6.701 -3.368 1.00 0.48 H new ATOM 0 HG LEU B 60 -16.159 9.466 -2.723 1.00 0.52 H new ATOM 0 HD11 LEU B 60 -16.472 8.558 -0.459 1.00 0.51 H new ATOM 0 HD12 LEU B 60 -17.445 7.683 -1.665 1.00 0.51 H new ATOM 0 HD13 LEU B 60 -15.947 6.958 -1.034 1.00 0.51 H new ATOM 0 HD21 LEU B 60 -14.323 9.568 -1.089 1.00 0.52 H new ATOM 0 HD22 LEU B 60 -13.706 8.012 -1.694 1.00 0.52 H new ATOM 0 HD23 LEU B 60 -13.719 9.438 -2.758 1.00 0.52 H new ATOM 2588 N ASP B 61 -16.151 8.210 -6.828 1.00 0.46 N ATOM 2589 CA ASP B 61 -16.640 7.750 -8.115 1.00 0.46 C ATOM 2590 C ASP B 61 -15.514 7.803 -9.129 1.00 0.47 C ATOM 2591 O ASP B 61 -15.320 6.881 -9.923 1.00 0.51 O ATOM 2592 CB ASP B 61 -17.807 8.619 -8.588 1.00 0.47 C ATOM 2593 CG ASP B 61 -18.579 7.997 -9.733 1.00 0.48 C ATOM 2594 OD1 ASP B 61 -18.132 8.109 -10.892 1.00 1.19 O ATOM 2595 OD2 ASP B 61 -19.646 7.398 -9.480 1.00 1.22 O ATOM 0 H ASP B 61 -16.555 9.095 -6.522 1.00 0.46 H new ATOM 0 HA ASP B 61 -16.993 6.724 -8.013 1.00 0.46 H new ATOM 0 HB2 ASP B 61 -18.485 8.794 -7.752 1.00 0.47 H new ATOM 0 HB3 ASP B 61 -17.426 9.592 -8.899 1.00 0.47 H new ATOM 2600 N ARG B 62 -14.758 8.890 -9.061 1.00 0.47 N ATOM 2601 CA ARG B 62 -13.604 9.085 -9.921 1.00 0.51 C ATOM 2602 C ARG B 62 -12.548 8.038 -9.606 1.00 0.50 C ATOM 2603 O ARG B 62 -11.934 7.466 -10.507 1.00 0.56 O ATOM 2604 CB ARG B 62 -13.021 10.479 -9.707 1.00 0.55 C ATOM 2605 CG ARG B 62 -14.058 11.587 -9.753 1.00 0.55 C ATOM 2606 CD ARG B 62 -13.431 12.939 -9.494 1.00 0.62 C ATOM 2607 NE ARG B 62 -12.347 13.224 -10.432 1.00 1.45 N ATOM 2608 CZ ARG B 62 -11.228 13.873 -10.113 1.00 1.97 C ATOM 2609 NH1 ARG B 62 -11.052 14.351 -8.886 1.00 1.66 N ATOM 2610 NH2 ARG B 62 -10.293 14.055 -11.035 1.00 3.02 N ATOM 0 H ARG B 62 -14.928 9.657 -8.411 1.00 0.47 H new ATOM 0 HA ARG B 62 -13.916 8.985 -10.961 1.00 0.51 H new ATOM 0 HB2 ARG B 62 -12.514 10.507 -8.742 1.00 0.55 H new ATOM 0 HB3 ARG B 62 -12.266 10.668 -10.470 1.00 0.55 H new ATOM 0 HG2 ARG B 62 -14.546 11.591 -10.728 1.00 0.55 H new ATOM 0 HG3 ARG B 62 -14.832 11.395 -9.010 1.00 0.55 H new ATOM 0 HD2 ARG B 62 -14.193 13.714 -9.573 1.00 0.62 H new ATOM 0 HD3 ARG B 62 -13.047 12.972 -8.474 1.00 0.62 H new ATOM 0 HE ARG B 62 -12.454 12.905 -11.395 1.00 1.45 H new ATOM 0 HH11 ARG B 62 -11.777 14.222 -8.180 1.00 1.66 H new ATOM 0 HH12 ARG B 62 -10.192 14.847 -8.650 1.00 1.66 H new ATOM 0 HH21 ARG B 62 -10.433 13.699 -11.981 1.00 3.02 H new ATOM 0 HH22 ARG B 62 -9.434 14.551 -10.799 1.00 3.02 H new ATOM 2624 N MET B 63 -12.352 7.792 -8.314 1.00 0.45 N ATOM 2625 CA MET B 63 -11.404 6.781 -7.859 1.00 0.44 C ATOM 2626 C MET B 63 -11.796 5.432 -8.403 1.00 0.41 C ATOM 2627 O MET B 63 -10.999 4.769 -9.056 1.00 0.42 O ATOM 2628 CB MET B 63 -11.373 6.700 -6.340 1.00 0.43 C ATOM 2629 CG MET B 63 -11.186 8.043 -5.676 1.00 0.49 C ATOM 2630 SD MET B 63 -9.546 8.729 -5.980 1.00 0.63 S ATOM 2631 CE MET B 63 -9.695 10.333 -5.206 1.00 1.54 C ATOM 0 H MET B 63 -12.839 8.280 -7.562 1.00 0.45 H new ATOM 0 HA MET B 63 -10.416 7.065 -8.220 1.00 0.44 H new ATOM 0 HB2 MET B 63 -12.303 6.254 -5.987 1.00 0.43 H new ATOM 0 HB3 MET B 63 -10.565 6.035 -6.035 1.00 0.43 H new ATOM 0 HG2 MET B 63 -11.942 8.737 -6.043 1.00 0.49 H new ATOM 0 HG3 MET B 63 -11.342 7.941 -4.602 1.00 0.49 H new ATOM 0 HE1 MET B 63 -8.736 10.849 -5.250 1.00 1.54 H new ATOM 0 HE2 MET B 63 -10.448 10.922 -5.731 1.00 1.54 H new ATOM 0 HE3 MET B 63 -9.993 10.208 -4.165 1.00 1.54 H new ATOM 2641 N MET B 64 -13.039 5.045 -8.131 1.00 0.41 N ATOM 2642 CA MET B 64 -13.571 3.776 -8.597 1.00 0.42 C ATOM 2643 C MET B 64 -13.235 3.551 -10.058 1.00 0.44 C ATOM 2644 O MET B 64 -12.570 2.592 -10.389 1.00 0.41 O ATOM 2645 CB MET B 64 -15.087 3.718 -8.398 1.00 0.55 C ATOM 2646 CG MET B 64 -15.734 2.480 -9.007 1.00 0.65 C ATOM 2647 SD MET B 64 -15.081 0.936 -8.346 1.00 1.87 S ATOM 2648 CE MET B 64 -15.469 1.108 -6.609 1.00 2.41 C ATOM 0 H MET B 64 -13.698 5.600 -7.585 1.00 0.41 H new ATOM 0 HA MET B 64 -13.107 2.985 -8.007 1.00 0.42 H new ATOM 0 HB2 MET B 64 -15.306 3.745 -7.331 1.00 0.55 H new ATOM 0 HB3 MET B 64 -15.537 4.607 -8.839 1.00 0.55 H new ATOM 0 HG2 MET B 64 -16.809 2.517 -8.831 1.00 0.65 H new ATOM 0 HG3 MET B 64 -15.587 2.496 -10.087 1.00 0.65 H new ATOM 0 HE1 MET B 64 -15.773 0.142 -6.207 1.00 2.41 H new ATOM 0 HE2 MET B 64 -14.589 1.463 -6.073 1.00 2.41 H new ATOM 0 HE3 MET B 64 -16.282 1.824 -6.487 1.00 2.41 H new ATOM 2658 N LYS B 65 -13.635 4.469 -10.922 1.00 0.52 N ATOM 2659 CA LYS B 65 -13.476 4.257 -12.359 1.00 0.56 C ATOM 2660 C LYS B 65 -12.016 4.361 -12.797 1.00 0.54 C ATOM 2661 O LYS B 65 -11.639 3.843 -13.848 1.00 0.60 O ATOM 2662 CB LYS B 65 -14.360 5.216 -13.156 1.00 0.67 C ATOM 2663 CG LYS B 65 -15.852 5.013 -12.903 1.00 0.79 C ATOM 2664 CD LYS B 65 -16.258 3.544 -13.016 1.00 0.86 C ATOM 2665 CE LYS B 65 -15.930 2.959 -14.383 1.00 1.57 C ATOM 2666 NZ LYS B 65 -16.250 1.506 -14.463 1.00 2.49 N ATOM 0 H LYS B 65 -14.066 5.357 -10.664 1.00 0.52 H new ATOM 0 HA LYS B 65 -13.801 3.239 -12.571 1.00 0.56 H new ATOM 0 HB2 LYS B 65 -14.092 6.242 -12.903 1.00 0.67 H new ATOM 0 HB3 LYS B 65 -14.158 5.087 -14.219 1.00 0.67 H new ATOM 0 HG2 LYS B 65 -16.105 5.383 -11.910 1.00 0.79 H new ATOM 0 HG3 LYS B 65 -16.424 5.603 -13.618 1.00 0.79 H new ATOM 0 HD2 LYS B 65 -15.748 2.968 -12.244 1.00 0.86 H new ATOM 0 HD3 LYS B 65 -17.328 3.449 -12.830 1.00 0.86 H new ATOM 0 HE2 LYS B 65 -16.489 3.495 -15.150 1.00 1.57 H new ATOM 0 HE3 LYS B 65 -14.872 3.109 -14.596 1.00 1.57 H new ATOM 0 HZ1 LYS B 65 -16.373 1.232 -15.459 1.00 2.49 H new ATOM 0 HZ2 LYS B 65 -15.472 0.956 -14.046 1.00 2.49 H new ATOM 0 HZ3 LYS B 65 -17.129 1.315 -13.940 1.00 2.49 H new ATOM 2680 N LYS B 66 -11.202 5.038 -12.003 1.00 0.50 N ATOM 2681 CA LYS B 66 -9.766 5.101 -12.253 1.00 0.52 C ATOM 2682 C LYS B 66 -9.110 3.764 -11.916 1.00 0.48 C ATOM 2683 O LYS B 66 -8.282 3.243 -12.667 1.00 0.54 O ATOM 2684 CB LYS B 66 -9.129 6.194 -11.391 1.00 0.55 C ATOM 2685 CG LYS B 66 -7.613 6.254 -11.503 1.00 0.91 C ATOM 2686 CD LYS B 66 -6.967 6.691 -10.193 1.00 0.96 C ATOM 2687 CE LYS B 66 -7.493 8.032 -9.701 1.00 0.73 C ATOM 2688 NZ LYS B 66 -7.111 9.154 -10.599 1.00 1.47 N ATOM 0 H LYS B 66 -11.509 5.553 -11.178 1.00 0.50 H new ATOM 0 HA LYS B 66 -9.613 5.327 -13.308 1.00 0.52 H new ATOM 0 HB2 LYS B 66 -9.544 7.160 -11.679 1.00 0.55 H new ATOM 0 HB3 LYS B 66 -9.401 6.028 -10.349 1.00 0.55 H new ATOM 0 HG2 LYS B 66 -7.230 5.274 -11.788 1.00 0.91 H new ATOM 0 HG3 LYS B 66 -7.334 6.948 -12.296 1.00 0.91 H new ATOM 0 HD2 LYS B 66 -7.148 5.932 -9.432 1.00 0.96 H new ATOM 0 HD3 LYS B 66 -5.887 6.756 -10.328 1.00 0.96 H new ATOM 0 HE2 LYS B 66 -8.579 7.987 -9.622 1.00 0.73 H new ATOM 0 HE3 LYS B 66 -7.109 8.225 -8.699 1.00 0.73 H new ATOM 0 HZ1 LYS B 66 -7.492 10.045 -10.222 1.00 1.47 H new ATOM 0 HZ2 LYS B 66 -6.074 9.217 -10.655 1.00 1.47 H new ATOM 0 HZ3 LYS B 66 -7.499 8.986 -11.549 1.00 1.47 H new ATOM 2702 N LEU B 67 -9.503 3.223 -10.777 1.00 0.41 N ATOM 2703 CA LEU B 67 -8.861 2.052 -10.206 1.00 0.39 C ATOM 2704 C LEU B 67 -9.481 0.766 -10.718 1.00 0.40 C ATOM 2705 O LEU B 67 -8.799 -0.251 -10.795 1.00 0.46 O ATOM 2706 CB LEU B 67 -9.004 2.102 -8.701 1.00 0.34 C ATOM 2707 CG LEU B 67 -8.603 3.432 -8.059 1.00 0.33 C ATOM 2708 CD1 LEU B 67 -9.090 3.492 -6.626 1.00 0.30 C ATOM 2709 CD2 LEU B 67 -7.098 3.640 -8.126 1.00 0.37 C ATOM 0 H LEU B 67 -10.278 3.584 -10.220 1.00 0.41 H new ATOM 0 HA LEU B 67 -7.811 2.062 -10.499 1.00 0.39 H new ATOM 0 HB2 LEU B 67 -10.041 1.888 -8.442 1.00 0.34 H new ATOM 0 HB3 LEU B 67 -8.397 1.308 -8.266 1.00 0.34 H new ATOM 0 HG LEU B 67 -9.075 4.238 -8.620 1.00 0.33 H new ATOM 0 HD11 LEU B 67 -8.798 4.444 -6.182 1.00 0.30 H new ATOM 0 HD12 LEU B 67 -10.176 3.401 -6.607 1.00 0.30 H new ATOM 0 HD13 LEU B 67 -8.647 2.675 -6.057 1.00 0.30 H new ATOM 0 HD21 LEU B 67 -6.841 4.593 -7.663 1.00 0.37 H new ATOM 0 HD22 LEU B 67 -6.595 2.831 -7.596 1.00 0.37 H new ATOM 0 HD23 LEU B 67 -6.777 3.645 -9.168 1.00 0.37 H new ATOM 2721 N ASP B 68 -10.782 0.828 -11.020 1.00 0.39 N ATOM 2722 CA ASP B 68 -11.550 -0.302 -11.558 1.00 0.42 C ATOM 2723 C ASP B 68 -10.965 -0.739 -12.886 1.00 0.52 C ATOM 2724 O ASP B 68 -11.478 -0.445 -13.968 1.00 0.57 O ATOM 2725 CB ASP B 68 -13.028 0.099 -11.696 1.00 0.43 C ATOM 2726 CG ASP B 68 -13.885 -0.891 -12.470 1.00 0.46 C ATOM 2727 OD1 ASP B 68 -13.957 -2.076 -12.084 1.00 1.13 O ATOM 2728 OD2 ASP B 68 -14.510 -0.472 -13.477 1.00 1.23 O ATOM 0 H ASP B 68 -11.339 1.674 -10.897 1.00 0.39 H new ATOM 0 HA ASP B 68 -11.490 -1.149 -10.874 1.00 0.42 H new ATOM 0 HB2 ASP B 68 -13.451 0.224 -10.699 1.00 0.43 H new ATOM 0 HB3 ASP B 68 -13.083 1.069 -12.189 1.00 0.43 H new ATOM 2733 N THR B 69 -9.858 -1.416 -12.774 1.00 0.58 N ATOM 2734 CA THR B 69 -9.126 -1.908 -13.905 1.00 0.74 C ATOM 2735 C THR B 69 -9.639 -3.297 -14.254 1.00 0.83 C ATOM 2736 O THR B 69 -9.404 -3.818 -15.344 1.00 0.99 O ATOM 2737 CB THR B 69 -7.624 -1.929 -13.585 1.00 0.79 C ATOM 2738 OG1 THR B 69 -6.857 -1.880 -14.794 1.00 0.91 O ATOM 2739 CG2 THR B 69 -7.252 -3.177 -12.803 1.00 0.82 C ATOM 0 H THR B 69 -9.431 -1.646 -11.877 1.00 0.58 H new ATOM 0 HA THR B 69 -9.272 -1.254 -14.765 1.00 0.74 H new ATOM 0 HB THR B 69 -7.400 -1.053 -12.976 1.00 0.79 H new ATOM 0 HG1 THR B 69 -5.902 -1.892 -14.576 1.00 0.91 H new ATOM 0 HG21 THR B 69 -6.183 -3.167 -12.589 1.00 0.82 H new ATOM 0 HG22 THR B 69 -7.809 -3.199 -11.866 1.00 0.82 H new ATOM 0 HG23 THR B 69 -7.496 -4.061 -13.391 1.00 0.82 H new ATOM 2747 N ASN B 70 -10.361 -3.879 -13.304 1.00 0.80 N ATOM 2748 CA ASN B 70 -11.059 -5.130 -13.525 1.00 0.94 C ATOM 2749 C ASN B 70 -12.298 -4.847 -14.356 1.00 0.86 C ATOM 2750 O ASN B 70 -12.916 -5.740 -14.935 1.00 0.98 O ATOM 2751 CB ASN B 70 -11.454 -5.734 -12.181 1.00 1.00 C ATOM 2752 CG ASN B 70 -11.614 -7.241 -12.224 1.00 1.25 C ATOM 2753 OD1 ASN B 70 -11.958 -7.820 -13.254 1.00 1.46 O ATOM 2754 ND2 ASN B 70 -11.359 -7.886 -11.099 1.00 1.66 N ATOM 0 H ASN B 70 -10.476 -3.496 -12.366 1.00 0.80 H new ATOM 0 HA ASN B 70 -10.417 -5.837 -14.051 1.00 0.94 H new ATOM 0 HB2 ASN B 70 -10.698 -5.477 -11.439 1.00 1.00 H new ATOM 0 HB3 ASN B 70 -12.391 -5.286 -11.850 1.00 1.00 H new ATOM 0 HD21 ASN B 70 -11.445 -8.902 -11.063 1.00 1.66 H new ATOM 0 HD22 ASN B 70 -11.076 -7.368 -10.267 1.00 1.66 H new ATOM 2761 N SER B 71 -12.616 -3.555 -14.407 1.00 0.70 N ATOM 2762 CA SER B 71 -13.685 -3.010 -15.225 1.00 0.66 C ATOM 2763 C SER B 71 -15.013 -3.681 -14.917 1.00 0.61 C ATOM 2764 O SER B 71 -15.818 -3.945 -15.809 1.00 0.66 O ATOM 2765 CB SER B 71 -13.334 -3.134 -16.714 1.00 0.82 C ATOM 2766 OG SER B 71 -14.274 -2.458 -17.535 1.00 1.48 O ATOM 0 H SER B 71 -12.122 -2.845 -13.866 1.00 0.70 H new ATOM 0 HA SER B 71 -13.792 -1.952 -14.984 1.00 0.66 H new ATOM 0 HB2 SER B 71 -12.339 -2.725 -16.888 1.00 0.82 H new ATOM 0 HB3 SER B 71 -13.299 -4.187 -16.993 1.00 0.82 H new ATOM 0 HG SER B 71 -15.178 -2.604 -17.186 1.00 1.48 H new ATOM 2772 N ASP B 72 -15.244 -3.931 -13.644 1.00 0.58 N ATOM 2773 CA ASP B 72 -16.475 -4.560 -13.209 1.00 0.65 C ATOM 2774 C ASP B 72 -17.297 -3.568 -12.401 1.00 0.56 C ATOM 2775 O ASP B 72 -18.504 -3.735 -12.215 1.00 0.66 O ATOM 2776 CB ASP B 72 -16.171 -5.808 -12.376 1.00 0.80 C ATOM 2777 CG ASP B 72 -17.425 -6.567 -11.992 1.00 0.92 C ATOM 2778 OD1 ASP B 72 -18.042 -7.194 -12.880 1.00 1.53 O ATOM 2779 OD2 ASP B 72 -17.804 -6.540 -10.805 1.00 1.56 O ATOM 0 H ASP B 72 -14.594 -3.708 -12.891 1.00 0.58 H new ATOM 0 HA ASP B 72 -17.048 -4.866 -14.084 1.00 0.65 H new ATOM 0 HB2 ASP B 72 -15.510 -6.466 -12.940 1.00 0.80 H new ATOM 0 HB3 ASP B 72 -15.635 -5.517 -11.473 1.00 0.80 H new ATOM 2784 N GLY B 73 -16.633 -2.513 -11.949 1.00 0.45 N ATOM 2785 CA GLY B 73 -17.288 -1.521 -11.127 1.00 0.46 C ATOM 2786 C GLY B 73 -16.986 -1.755 -9.671 1.00 0.41 C ATOM 2787 O GLY B 73 -17.733 -1.334 -8.785 1.00 0.44 O ATOM 0 H GLY B 73 -15.648 -2.328 -12.139 1.00 0.45 H new ATOM 0 HA2 GLY B 73 -16.956 -0.524 -11.417 1.00 0.46 H new ATOM 0 HA3 GLY B 73 -18.365 -1.559 -11.291 1.00 0.46 H new ATOM 2791 N GLN B 74 -15.889 -2.455 -9.434 1.00 0.38 N ATOM 2792 CA GLN B 74 -15.453 -2.790 -8.101 1.00 0.37 C ATOM 2793 C GLN B 74 -13.953 -2.627 -8.026 1.00 0.36 C ATOM 2794 O GLN B 74 -13.279 -2.577 -9.053 1.00 0.39 O ATOM 2795 CB GLN B 74 -15.795 -4.238 -7.768 1.00 0.38 C ATOM 2796 CG GLN B 74 -17.252 -4.604 -7.957 1.00 0.41 C ATOM 2797 CD GLN B 74 -17.568 -6.027 -7.540 1.00 0.49 C ATOM 2798 OE1 GLN B 74 -16.744 -6.929 -7.680 1.00 1.02 O ATOM 2799 NE2 GLN B 74 -18.761 -6.235 -7.010 1.00 1.25 N ATOM 0 H GLN B 74 -15.276 -2.806 -10.170 1.00 0.38 H new ATOM 0 HA GLN B 74 -15.956 -2.132 -7.392 1.00 0.37 H new ATOM 0 HB2 GLN B 74 -15.186 -4.893 -8.391 1.00 0.38 H new ATOM 0 HB3 GLN B 74 -15.517 -4.434 -6.732 1.00 0.38 H new ATOM 0 HG2 GLN B 74 -17.871 -3.917 -7.380 1.00 0.41 H new ATOM 0 HG3 GLN B 74 -17.521 -4.471 -9.005 1.00 0.41 H new ATOM 0 HE21 GLN B 74 -19.417 -5.460 -6.911 1.00 1.25 H new ATOM 0 HE22 GLN B 74 -19.025 -7.170 -6.700 1.00 1.25 H new ATOM 2808 N LEU B 75 -13.431 -2.569 -6.824 1.00 0.33 N ATOM 2809 CA LEU B 75 -11.999 -2.460 -6.644 1.00 0.31 C ATOM 2810 C LEU B 75 -11.449 -3.679 -5.954 1.00 0.32 C ATOM 2811 O LEU B 75 -11.679 -3.905 -4.767 1.00 0.32 O ATOM 2812 CB LEU B 75 -11.635 -1.204 -5.870 1.00 0.31 C ATOM 2813 CG LEU B 75 -12.060 0.086 -6.557 1.00 0.32 C ATOM 2814 CD1 LEU B 75 -11.518 1.284 -5.812 1.00 0.35 C ATOM 2815 CD2 LEU B 75 -11.593 0.088 -8.005 1.00 0.35 C ATOM 0 H LEU B 75 -13.971 -2.595 -5.959 1.00 0.33 H new ATOM 0 HA LEU B 75 -11.548 -2.391 -7.634 1.00 0.31 H new ATOM 0 HB2 LEU B 75 -12.098 -1.249 -4.884 1.00 0.31 H new ATOM 0 HB3 LEU B 75 -10.556 -1.184 -5.715 1.00 0.31 H new ATOM 0 HG LEU B 75 -13.148 0.148 -6.548 1.00 0.32 H new ATOM 0 HD11 LEU B 75 -11.831 2.198 -6.316 1.00 0.35 H new ATOM 0 HD12 LEU B 75 -11.902 1.283 -4.792 1.00 0.35 H new ATOM 0 HD13 LEU B 75 -10.429 1.237 -5.790 1.00 0.35 H new ATOM 0 HD21 LEU B 75 -11.903 1.016 -8.486 1.00 0.35 H new ATOM 0 HD22 LEU B 75 -10.506 0.008 -8.037 1.00 0.35 H new ATOM 0 HD23 LEU B 75 -12.035 -0.758 -8.531 1.00 0.35 H new ATOM 2827 N ASP B 76 -10.728 -4.466 -6.720 1.00 0.35 N ATOM 2828 CA ASP B 76 -10.084 -5.656 -6.201 1.00 0.36 C ATOM 2829 C ASP B 76 -8.841 -5.208 -5.444 1.00 0.33 C ATOM 2830 O ASP B 76 -8.553 -4.014 -5.405 1.00 0.32 O ATOM 2831 CB ASP B 76 -9.758 -6.589 -7.366 1.00 0.44 C ATOM 2832 CG ASP B 76 -9.492 -8.031 -6.962 1.00 0.91 C ATOM 2833 OD1 ASP B 76 -8.477 -8.291 -6.282 1.00 1.44 O ATOM 2834 OD2 ASP B 76 -10.267 -8.918 -7.371 1.00 1.68 O ATOM 0 H ASP B 76 -10.571 -4.303 -7.714 1.00 0.35 H new ATOM 0 HA ASP B 76 -10.726 -6.210 -5.517 1.00 0.36 H new ATOM 0 HB2 ASP B 76 -10.587 -6.570 -8.074 1.00 0.44 H new ATOM 0 HB3 ASP B 76 -8.883 -6.204 -7.890 1.00 0.44 H new ATOM 2839 N PHE B 77 -8.102 -6.123 -4.855 1.00 0.40 N ATOM 2840 CA PHE B 77 -7.048 -5.736 -3.933 1.00 0.49 C ATOM 2841 C PHE B 77 -5.974 -4.912 -4.624 1.00 0.39 C ATOM 2842 O PHE B 77 -5.571 -3.875 -4.115 1.00 0.38 O ATOM 2843 CB PHE B 77 -6.439 -6.956 -3.261 1.00 0.72 C ATOM 2844 CG PHE B 77 -5.692 -6.617 -2.004 1.00 1.75 C ATOM 2845 CD1 PHE B 77 -6.182 -5.664 -1.124 1.00 2.56 C ATOM 2846 CD2 PHE B 77 -4.497 -7.238 -1.708 1.00 2.66 C ATOM 2847 CE1 PHE B 77 -5.494 -5.342 0.026 1.00 3.67 C ATOM 2848 CE2 PHE B 77 -3.805 -6.919 -0.559 1.00 3.77 C ATOM 2849 CZ PHE B 77 -4.303 -5.970 0.308 1.00 4.14 C ATOM 0 H PHE B 77 -8.206 -7.128 -4.993 1.00 0.40 H new ATOM 0 HA PHE B 77 -7.501 -5.110 -3.164 1.00 0.49 H new ATOM 0 HB2 PHE B 77 -7.230 -7.669 -3.027 1.00 0.72 H new ATOM 0 HB3 PHE B 77 -5.762 -7.449 -3.959 1.00 0.72 H new ATOM 0 HD1 PHE B 77 -7.116 -5.167 -1.343 1.00 2.56 H new ATOM 0 HD2 PHE B 77 -4.099 -7.982 -2.383 1.00 2.66 H new ATOM 0 HE1 PHE B 77 -5.889 -4.599 0.703 1.00 3.67 H new ATOM 0 HE2 PHE B 77 -2.871 -7.414 -0.338 1.00 3.77 H new ATOM 0 HZ PHE B 77 -3.759 -5.720 1.207 1.00 4.14 H new ATOM 2859 N SER B 78 -5.532 -5.356 -5.791 1.00 0.38 N ATOM 2860 CA SER B 78 -4.546 -4.613 -6.561 1.00 0.38 C ATOM 2861 C SER B 78 -5.076 -3.222 -6.902 1.00 0.38 C ATOM 2862 O SER B 78 -4.321 -2.257 -6.948 1.00 0.44 O ATOM 2863 CB SER B 78 -4.195 -5.367 -7.843 1.00 0.44 C ATOM 2864 OG SER B 78 -3.171 -4.708 -8.572 1.00 1.32 O ATOM 0 H SER B 78 -5.840 -6.226 -6.225 1.00 0.38 H new ATOM 0 HA SER B 78 -3.645 -4.507 -5.957 1.00 0.38 H new ATOM 0 HB2 SER B 78 -3.873 -6.378 -7.595 1.00 0.44 H new ATOM 0 HB3 SER B 78 -5.084 -5.460 -8.466 1.00 0.44 H new ATOM 0 HG SER B 78 -2.969 -5.217 -9.385 1.00 1.32 H new ATOM 2870 N GLU B 79 -6.383 -3.124 -7.090 1.00 0.36 N ATOM 2871 CA GLU B 79 -7.015 -1.882 -7.497 1.00 0.42 C ATOM 2872 C GLU B 79 -7.224 -0.972 -6.292 1.00 0.33 C ATOM 2873 O GLU B 79 -7.096 0.250 -6.387 1.00 0.33 O ATOM 2874 CB GLU B 79 -8.328 -2.208 -8.201 1.00 0.51 C ATOM 2875 CG GLU B 79 -8.098 -3.048 -9.446 1.00 0.64 C ATOM 2876 CD GLU B 79 -9.352 -3.693 -9.990 1.00 1.81 C ATOM 2877 OE1 GLU B 79 -10.123 -3.014 -10.683 1.00 2.57 O ATOM 2878 OE2 GLU B 79 -9.543 -4.900 -9.753 1.00 2.54 O ATOM 0 H GLU B 79 -7.032 -3.901 -6.965 1.00 0.36 H new ATOM 0 HA GLU B 79 -6.372 -1.343 -8.193 1.00 0.42 H new ATOM 0 HB2 GLU B 79 -8.986 -2.743 -7.516 1.00 0.51 H new ATOM 0 HB3 GLU B 79 -8.836 -1.283 -8.474 1.00 0.51 H new ATOM 0 HG2 GLU B 79 -7.659 -2.419 -10.221 1.00 0.64 H new ATOM 0 HG3 GLU B 79 -7.370 -3.827 -9.218 1.00 0.64 H new ATOM 2885 N PHE B 80 -7.511 -1.586 -5.153 1.00 0.28 N ATOM 2886 CA PHE B 80 -7.587 -0.873 -3.889 1.00 0.25 C ATOM 2887 C PHE B 80 -6.190 -0.433 -3.468 1.00 0.23 C ATOM 2888 O PHE B 80 -6.017 0.576 -2.795 1.00 0.26 O ATOM 2889 CB PHE B 80 -8.205 -1.776 -2.817 1.00 0.31 C ATOM 2890 CG PHE B 80 -8.410 -1.107 -1.486 1.00 0.71 C ATOM 2891 CD1 PHE B 80 -9.508 -0.292 -1.268 1.00 1.26 C ATOM 2892 CD2 PHE B 80 -7.507 -1.300 -0.452 1.00 1.60 C ATOM 2893 CE1 PHE B 80 -9.704 0.319 -0.044 1.00 1.56 C ATOM 2894 CE2 PHE B 80 -7.696 -0.690 0.773 1.00 1.98 C ATOM 2895 CZ PHE B 80 -8.796 0.121 0.978 1.00 1.64 C ATOM 0 H PHE B 80 -7.696 -2.586 -5.080 1.00 0.28 H new ATOM 0 HA PHE B 80 -8.217 0.009 -4.007 1.00 0.25 H new ATOM 0 HB2 PHE B 80 -9.166 -2.143 -3.178 1.00 0.31 H new ATOM 0 HB3 PHE B 80 -7.563 -2.646 -2.678 1.00 0.31 H new ATOM 0 HD1 PHE B 80 -10.220 -0.132 -2.064 1.00 1.26 H new ATOM 0 HD2 PHE B 80 -6.646 -1.934 -0.606 1.00 1.60 H new ATOM 0 HE1 PHE B 80 -10.566 0.950 0.113 1.00 1.56 H new ATOM 0 HE2 PHE B 80 -6.984 -0.847 1.570 1.00 1.98 H new ATOM 0 HZ PHE B 80 -8.945 0.599 1.935 1.00 1.64 H new ATOM 2905 N LEU B 81 -5.194 -1.200 -3.878 1.00 0.25 N ATOM 2906 CA LEU B 81 -3.810 -0.869 -3.593 1.00 0.26 C ATOM 2907 C LEU B 81 -3.275 0.146 -4.585 1.00 0.26 C ATOM 2908 O LEU B 81 -2.320 0.865 -4.292 1.00 0.27 O ATOM 2909 CB LEU B 81 -2.951 -2.121 -3.599 1.00 0.29 C ATOM 2910 CG LEU B 81 -3.261 -3.107 -2.469 1.00 0.28 C ATOM 2911 CD1 LEU B 81 -2.395 -4.340 -2.601 1.00 0.33 C ATOM 2912 CD2 LEU B 81 -3.083 -2.449 -1.096 1.00 0.29 C ATOM 0 H LEU B 81 -5.320 -2.060 -4.412 1.00 0.25 H new ATOM 0 HA LEU B 81 -3.769 -0.423 -2.599 1.00 0.26 H new ATOM 0 HB2 LEU B 81 -3.079 -2.630 -4.554 1.00 0.29 H new ATOM 0 HB3 LEU B 81 -1.903 -1.828 -3.532 1.00 0.29 H new ATOM 0 HG LEU B 81 -4.305 -3.409 -2.552 1.00 0.28 H new ATOM 0 HD11 LEU B 81 -2.624 -5.034 -1.792 1.00 0.33 H new ATOM 0 HD12 LEU B 81 -2.591 -4.822 -3.559 1.00 0.33 H new ATOM 0 HD13 LEU B 81 -1.344 -4.054 -2.547 1.00 0.33 H new ATOM 0 HD21 LEU B 81 -3.310 -3.173 -0.313 1.00 0.29 H new ATOM 0 HD22 LEU B 81 -2.054 -2.107 -0.987 1.00 0.29 H new ATOM 0 HD23 LEU B 81 -3.759 -1.598 -1.010 1.00 0.29 H new ATOM 2924 N ASN B 82 -3.874 0.195 -5.766 1.00 0.26 N ATOM 2925 CA ASN B 82 -3.609 1.280 -6.690 1.00 0.26 C ATOM 2926 C ASN B 82 -4.072 2.566 -6.042 1.00 0.23 C ATOM 2927 O ASN B 82 -3.401 3.598 -6.086 1.00 0.24 O ATOM 2928 CB ASN B 82 -4.357 1.087 -8.011 1.00 0.30 C ATOM 2929 CG ASN B 82 -3.797 -0.031 -8.869 1.00 0.78 C ATOM 2930 OD1 ASN B 82 -2.609 -0.343 -8.811 1.00 1.50 O ATOM 2931 ND2 ASN B 82 -4.652 -0.634 -9.684 1.00 1.42 N ATOM 0 H ASN B 82 -4.541 -0.500 -6.102 1.00 0.26 H new ATOM 0 HA ASN B 82 -2.542 1.307 -6.911 1.00 0.26 H new ATOM 0 HB2 ASN B 82 -5.406 0.880 -7.798 1.00 0.30 H new ATOM 0 HB3 ASN B 82 -4.325 2.018 -8.576 1.00 0.30 H new ATOM 0 HD21 ASN B 82 -4.332 -1.387 -10.293 1.00 1.42 H new ATOM 0 HD22 ASN B 82 -5.630 -0.345 -9.702 1.00 1.42 H new ATOM 2938 N LEU B 83 -5.243 2.468 -5.435 1.00 0.23 N ATOM 2939 CA LEU B 83 -5.791 3.517 -4.606 1.00 0.24 C ATOM 2940 C LEU B 83 -4.824 3.890 -3.499 1.00 0.23 C ATOM 2941 O LEU B 83 -4.438 5.047 -3.366 1.00 0.25 O ATOM 2942 CB LEU B 83 -7.085 3.032 -3.983 1.00 0.27 C ATOM 2943 CG LEU B 83 -7.526 3.819 -2.764 1.00 0.31 C ATOM 2944 CD1 LEU B 83 -7.990 5.212 -3.166 1.00 0.35 C ATOM 2945 CD2 LEU B 83 -8.605 3.071 -2.012 1.00 0.36 C ATOM 0 H LEU B 83 -5.843 1.646 -5.508 1.00 0.23 H new ATOM 0 HA LEU B 83 -5.970 4.394 -5.228 1.00 0.24 H new ATOM 0 HB2 LEU B 83 -7.874 3.075 -4.734 1.00 0.27 H new ATOM 0 HB3 LEU B 83 -6.969 1.985 -3.702 1.00 0.27 H new ATOM 0 HG LEU B 83 -6.673 3.934 -2.095 1.00 0.31 H new ATOM 0 HD11 LEU B 83 -8.303 5.762 -2.278 1.00 0.35 H new ATOM 0 HD12 LEU B 83 -7.171 5.742 -3.652 1.00 0.35 H new ATOM 0 HD13 LEU B 83 -8.829 5.131 -3.857 1.00 0.35 H new ATOM 0 HD21 LEU B 83 -8.909 3.650 -1.140 1.00 0.36 H new ATOM 0 HD22 LEU B 83 -9.465 2.919 -2.665 1.00 0.36 H new ATOM 0 HD23 LEU B 83 -8.219 2.104 -1.688 1.00 0.36 H new ATOM 2957 N ILE B 84 -4.458 2.891 -2.701 1.00 0.24 N ATOM 2958 CA ILE B 84 -3.502 3.061 -1.616 1.00 0.26 C ATOM 2959 C ILE B 84 -2.227 3.734 -2.127 1.00 0.27 C ATOM 2960 O ILE B 84 -1.594 4.507 -1.414 1.00 0.29 O ATOM 2961 CB ILE B 84 -3.172 1.696 -0.967 1.00 0.29 C ATOM 2962 CG1 ILE B 84 -4.399 1.120 -0.255 1.00 0.55 C ATOM 2963 CG2 ILE B 84 -1.995 1.800 -0.005 1.00 0.47 C ATOM 2964 CD1 ILE B 84 -4.958 2.009 0.830 1.00 0.62 C ATOM 0 H ILE B 84 -4.817 1.941 -2.790 1.00 0.24 H new ATOM 0 HA ILE B 84 -3.950 3.703 -0.858 1.00 0.26 H new ATOM 0 HB ILE B 84 -2.885 1.016 -1.769 1.00 0.29 H new ATOM 0 HG12 ILE B 84 -5.179 0.932 -0.993 1.00 0.55 H new ATOM 0 HG13 ILE B 84 -4.134 0.157 0.181 1.00 0.55 H new ATOM 0 HG21 ILE B 84 -1.794 0.821 0.431 1.00 0.47 H new ATOM 0 HG22 ILE B 84 -1.113 2.145 -0.545 1.00 0.47 H new ATOM 0 HG23 ILE B 84 -2.235 2.508 0.788 1.00 0.47 H new ATOM 0 HD11 ILE B 84 -5.825 1.528 1.284 1.00 0.62 H new ATOM 0 HD12 ILE B 84 -4.196 2.177 1.591 1.00 0.62 H new ATOM 0 HD13 ILE B 84 -5.257 2.964 0.399 1.00 0.62 H new ATOM 2976 N GLY B 85 -1.888 3.462 -3.382 1.00 0.26 N ATOM 2977 CA GLY B 85 -0.759 4.102 -4.008 1.00 0.29 C ATOM 2978 C GLY B 85 -0.974 5.589 -4.154 1.00 0.28 C ATOM 2979 O GLY B 85 -0.142 6.380 -3.726 1.00 0.32 O ATOM 0 H GLY B 85 -2.385 2.801 -3.979 1.00 0.26 H new ATOM 0 HA2 GLY B 85 0.138 3.920 -3.416 1.00 0.29 H new ATOM 0 HA3 GLY B 85 -0.588 3.660 -4.990 1.00 0.29 H new ATOM 2983 N GLY B 86 -2.119 5.973 -4.710 1.00 0.27 N ATOM 2984 CA GLY B 86 -2.395 7.381 -4.934 1.00 0.30 C ATOM 2985 C GLY B 86 -2.602 8.106 -3.626 1.00 0.29 C ATOM 2986 O GLY B 86 -2.243 9.275 -3.476 1.00 0.34 O ATOM 0 H GLY B 86 -2.858 5.337 -5.009 1.00 0.27 H new ATOM 0 HA2 GLY B 86 -1.567 7.835 -5.479 1.00 0.30 H new ATOM 0 HA3 GLY B 86 -3.283 7.487 -5.557 1.00 0.30 H new ATOM 2990 N LEU B 87 -3.166 7.384 -2.679 1.00 0.25 N ATOM 2991 CA LEU B 87 -3.384 7.880 -1.334 1.00 0.25 C ATOM 2992 C LEU B 87 -2.061 8.164 -0.662 1.00 0.26 C ATOM 2993 O LEU B 87 -1.788 9.288 -0.245 1.00 0.29 O ATOM 2994 CB LEU B 87 -4.127 6.836 -0.520 1.00 0.25 C ATOM 2995 CG LEU B 87 -5.618 6.700 -0.795 1.00 0.26 C ATOM 2996 CD1 LEU B 87 -6.139 5.445 -0.132 1.00 0.26 C ATOM 2997 CD2 LEU B 87 -6.372 7.914 -0.281 1.00 0.35 C ATOM 0 H LEU B 87 -3.489 6.427 -2.822 1.00 0.25 H new ATOM 0 HA LEU B 87 -3.969 8.798 -1.392 1.00 0.25 H new ATOM 0 HB2 LEU B 87 -3.657 5.868 -0.695 1.00 0.25 H new ATOM 0 HB3 LEU B 87 -3.994 7.068 0.537 1.00 0.25 H new ATOM 0 HG LEU B 87 -5.774 6.634 -1.872 1.00 0.26 H new ATOM 0 HD11 LEU B 87 -7.207 5.346 -0.328 1.00 0.26 H new ATOM 0 HD12 LEU B 87 -5.615 4.577 -0.533 1.00 0.26 H new ATOM 0 HD13 LEU B 87 -5.972 5.505 0.943 1.00 0.26 H new ATOM 0 HD21 LEU B 87 -7.436 7.796 -0.488 1.00 0.35 H new ATOM 0 HD22 LEU B 87 -6.220 8.009 0.794 1.00 0.35 H new ATOM 0 HD23 LEU B 87 -6.003 8.810 -0.780 1.00 0.35 H new ATOM 3009 N ALA B 88 -1.240 7.127 -0.565 1.00 0.25 N ATOM 3010 CA ALA B 88 0.059 7.231 0.069 1.00 0.27 C ATOM 3011 C ALA B 88 0.891 8.287 -0.602 1.00 0.29 C ATOM 3012 O ALA B 88 1.586 9.051 0.052 1.00 0.35 O ATOM 3013 CB ALA B 88 0.800 5.917 0.003 1.00 0.26 C ATOM 0 H ALA B 88 -1.458 6.197 -0.923 1.00 0.25 H new ATOM 0 HA ALA B 88 -0.108 7.500 1.112 1.00 0.27 H new ATOM 0 HB1 ALA B 88 1.772 6.023 0.486 1.00 0.26 H new ATOM 0 HB2 ALA B 88 0.222 5.147 0.515 1.00 0.26 H new ATOM 0 HB3 ALA B 88 0.942 5.631 -1.039 1.00 0.26 H new ATOM 3019 N MET B 89 0.821 8.311 -1.917 1.00 0.29 N ATOM 3020 CA MET B 89 1.568 9.267 -2.695 1.00 0.32 C ATOM 3021 C MET B 89 1.156 10.686 -2.350 1.00 0.34 C ATOM 3022 O MET B 89 1.992 11.582 -2.277 1.00 0.39 O ATOM 3023 CB MET B 89 1.381 8.999 -4.182 1.00 0.34 C ATOM 3024 CG MET B 89 2.201 7.825 -4.678 1.00 0.42 C ATOM 3025 SD MET B 89 2.423 7.852 -6.465 1.00 1.03 S ATOM 3026 CE MET B 89 0.726 7.753 -7.028 1.00 1.89 C ATOM 0 H MET B 89 0.249 7.672 -2.469 1.00 0.29 H new ATOM 0 HA MET B 89 2.625 9.156 -2.452 1.00 0.32 H new ATOM 0 HB2 MET B 89 0.326 8.809 -4.382 1.00 0.34 H new ATOM 0 HB3 MET B 89 1.656 9.891 -4.744 1.00 0.34 H new ATOM 0 HG2 MET B 89 3.177 7.836 -4.193 1.00 0.42 H new ATOM 0 HG3 MET B 89 1.711 6.895 -4.389 1.00 0.42 H new ATOM 0 HE1 MET B 89 0.709 7.617 -8.109 1.00 1.89 H new ATOM 0 HE2 MET B 89 0.232 6.908 -6.548 1.00 1.89 H new ATOM 0 HE3 MET B 89 0.203 8.674 -6.770 1.00 1.89 H new ATOM 3036 N ALA B 90 -0.130 10.875 -2.101 1.00 0.34 N ATOM 3037 CA ALA B 90 -0.647 12.175 -1.715 1.00 0.39 C ATOM 3038 C ALA B 90 -0.249 12.501 -0.282 1.00 0.42 C ATOM 3039 O ALA B 90 0.043 13.646 0.044 1.00 0.49 O ATOM 3040 CB ALA B 90 -2.157 12.206 -1.876 1.00 0.46 C ATOM 0 H ALA B 90 -0.836 10.141 -2.160 1.00 0.34 H new ATOM 0 HA ALA B 90 -0.215 12.933 -2.368 1.00 0.39 H new ATOM 0 HB1 ALA B 90 -2.534 13.186 -1.584 1.00 0.46 H new ATOM 0 HB2 ALA B 90 -2.416 12.013 -2.917 1.00 0.46 H new ATOM 0 HB3 ALA B 90 -2.606 11.441 -1.243 1.00 0.46 H new ATOM 3046 N CYS B 91 -0.219 11.480 0.567 1.00 0.41 N ATOM 3047 CA CYS B 91 0.160 11.648 1.966 1.00 0.47 C ATOM 3048 C CYS B 91 1.653 11.939 2.091 1.00 0.44 C ATOM 3049 O CYS B 91 2.075 12.720 2.940 1.00 0.51 O ATOM 3050 CB CYS B 91 -0.210 10.399 2.766 1.00 0.55 C ATOM 3051 SG CYS B 91 -1.962 9.960 2.662 1.00 1.76 S ATOM 0 H CYS B 91 -0.454 10.522 0.309 1.00 0.41 H new ATOM 0 HA CYS B 91 -0.387 12.499 2.372 1.00 0.47 H new ATOM 0 HB2 CYS B 91 0.387 9.560 2.409 1.00 0.55 H new ATOM 0 HB3 CYS B 91 0.054 10.557 3.812 1.00 0.55 H new ATOM 0 HG CYS B 91 -2.252 9.617 1.442 1.00 1.76 H new ATOM 3057 N HIS B 92 2.445 11.308 1.237 1.00 0.41 N ATOM 3058 CA HIS B 92 3.879 11.556 1.180 1.00 0.46 C ATOM 3059 C HIS B 92 4.116 12.950 0.633 1.00 0.45 C ATOM 3060 O HIS B 92 4.918 13.711 1.161 1.00 0.49 O ATOM 3061 CB HIS B 92 4.563 10.515 0.284 1.00 0.54 C ATOM 3062 CG HIS B 92 6.063 10.601 0.256 1.00 1.21 C ATOM 3063 ND1 HIS B 92 6.775 11.000 -0.857 1.00 2.12 N ATOM 3064 CD2 HIS B 92 6.987 10.311 1.204 1.00 1.96 C ATOM 3065 CE1 HIS B 92 8.067 10.950 -0.595 1.00 2.74 C ATOM 3066 NE2 HIS B 92 8.223 10.535 0.647 1.00 2.62 N ATOM 0 H HIS B 92 2.115 10.613 0.567 1.00 0.41 H new ATOM 0 HA HIS B 92 4.302 11.478 2.182 1.00 0.46 H new ATOM 0 HB2 HIS B 92 4.276 9.519 0.622 1.00 0.54 H new ATOM 0 HB3 HIS B 92 4.187 10.627 -0.733 1.00 0.54 H new ATOM 0 HD2 HIS B 92 6.789 9.968 2.209 1.00 1.96 H new ATOM 0 HE1 HIS B 92 8.861 11.205 -1.281 1.00 2.74 H new ATOM 0 HE2 HIS B 92 9.118 10.402 1.119 1.00 2.62 H new ATOM 3075 N ASP B 93 3.384 13.272 -0.420 1.00 0.45 N ATOM 3076 CA ASP B 93 3.465 14.578 -1.050 1.00 0.52 C ATOM 3077 C ASP B 93 3.085 15.673 -0.055 1.00 0.56 C ATOM 3078 O ASP B 93 3.710 16.733 -0.009 1.00 0.65 O ATOM 3079 CB ASP B 93 2.540 14.606 -2.269 1.00 0.54 C ATOM 3080 CG ASP B 93 2.684 15.871 -3.086 1.00 0.92 C ATOM 3081 OD1 ASP B 93 3.718 16.022 -3.768 1.00 1.74 O ATOM 3082 OD2 ASP B 93 1.763 16.715 -3.058 1.00 1.48 O ATOM 0 H ASP B 93 2.719 12.637 -0.861 1.00 0.45 H new ATOM 0 HA ASP B 93 4.489 14.763 -1.375 1.00 0.52 H new ATOM 0 HB2 ASP B 93 2.754 13.744 -2.901 1.00 0.54 H new ATOM 0 HB3 ASP B 93 1.506 14.509 -1.937 1.00 0.54 H new ATOM 3087 N SER B 94 2.078 15.389 0.760 1.00 0.54 N ATOM 3088 CA SER B 94 1.640 16.300 1.803 1.00 0.60 C ATOM 3089 C SER B 94 2.682 16.394 2.899 1.00 0.63 C ATOM 3090 O SER B 94 2.993 17.472 3.372 1.00 0.70 O ATOM 3091 CB SER B 94 0.324 15.821 2.409 1.00 0.65 C ATOM 3092 OG SER B 94 -0.702 15.777 1.431 1.00 1.26 O ATOM 0 H SER B 94 1.544 14.521 0.715 1.00 0.54 H new ATOM 0 HA SER B 94 1.498 17.283 1.353 1.00 0.60 H new ATOM 0 HB2 SER B 94 0.459 14.831 2.843 1.00 0.65 H new ATOM 0 HB3 SER B 94 0.030 16.487 3.220 1.00 0.65 H new ATOM 0 HG SER B 94 -0.673 14.915 0.965 1.00 1.26 H new ATOM 3098 N PHE B 95 3.229 15.247 3.276 1.00 0.60 N ATOM 3099 CA PHE B 95 4.195 15.163 4.362 1.00 0.67 C ATOM 3100 C PHE B 95 5.402 16.037 4.058 1.00 0.73 C ATOM 3101 O PHE B 95 5.979 16.649 4.950 1.00 0.84 O ATOM 3102 CB PHE B 95 4.627 13.706 4.552 1.00 0.64 C ATOM 3103 CG PHE B 95 5.296 13.432 5.866 1.00 0.78 C ATOM 3104 CD1 PHE B 95 4.579 13.521 7.049 1.00 1.80 C ATOM 3105 CD2 PHE B 95 6.633 13.077 5.922 1.00 1.29 C ATOM 3106 CE1 PHE B 95 5.185 13.262 8.262 1.00 2.35 C ATOM 3107 CE2 PHE B 95 7.242 12.815 7.133 1.00 1.76 C ATOM 3108 CZ PHE B 95 6.516 12.908 8.304 1.00 2.07 C ATOM 0 H PHE B 95 3.016 14.350 2.839 1.00 0.60 H new ATOM 0 HA PHE B 95 3.733 15.520 5.282 1.00 0.67 H new ATOM 0 HB2 PHE B 95 3.751 13.064 4.462 1.00 0.64 H new ATOM 0 HB3 PHE B 95 5.308 13.432 3.746 1.00 0.64 H new ATOM 0 HD1 PHE B 95 3.535 13.796 7.021 1.00 1.80 H new ATOM 0 HD2 PHE B 95 7.205 13.004 5.009 1.00 1.29 H new ATOM 0 HE1 PHE B 95 4.616 13.337 9.177 1.00 2.35 H new ATOM 0 HE2 PHE B 95 8.285 12.538 7.164 1.00 1.76 H new ATOM 0 HZ PHE B 95 6.991 12.703 9.252 1.00 2.07 H new