USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=51 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: B 24 TYR OH : rot 109:sc= 1.23 USER MOD Set 1.2: B 45 THR OG1 : rot -68:sc= 2.18 USER MOD Set 2.1: A 24 TYR OH : rot 82:sc= 1.23 USER MOD Set 2.2: A 45 THR OG1 : rot -72:sc= 2.2 USER MOD Set 3.1: A 13 CYS SG : rot 90:sc= -4.65! USER MOD Set 3.2: B 13 CYS SG : rot 89:sc= -4.45! USER MOD Single : A 8 THR OG1 : rot -152:sc= -2.52! USER MOD Single : A 10 THR OG1 : rot 57:sc= -0.392 USER MOD Single : A 16 SER OG : rot 73:sc= 1.24 USER MOD Single : A 22 GLN : amide:sc= -2.87 K(o=-2.9,f=-2.3!) USER MOD Single : A 23 LYS NZ :NH3+ 154:sc= 1.29 (180deg=1.15) USER MOD Single : A 33 THR OG1 : rot 16:sc= 0.751 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0329 USER MOD Single : A 36 LYS NZ :NH3+ -169:sc= 1.71 (180deg=1.39) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 18:sc= 0.179 USER MOD Single : A 43 MET CE :methyl -176:sc= -0.344 (180deg=-0.441) USER MOD Single : A 44 ASN : amide:sc= -0.3 K(o=-0.3,f=-1) USER MOD Single : A 51 THR OG1 : rot 87:sc= -0.0856 USER MOD Single : A 52 LYS NZ :NH3+ 132:sc=-0.00374 (180deg=-0.173) USER MOD Single : A 63 MET CE :methyl -163:sc= -0.0694 (180deg=-0.462) USER MOD Single : A 64 MET CE :methyl -166:sc= -0.848 (180deg=-1.21) USER MOD Single : A 65 LYS NZ :NH3+ -166:sc= -0.0568 (180deg=-0.296) 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= -1.35! K(o=-1.3!,f=-0.02) USER MOD Single : A 71 SER OG : rot -52:sc= 0.558 USER MOD Single : A 74 GLN : amide:sc= -3.58! C(o=-3.6!,f=-6.6!) USER MOD Single : A 78 SER OG : rot 82:sc= 1.34 USER MOD Single : A 82 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.0068) USER MOD Single : A 89 MET CE :methyl -176:sc= -2! (180deg=-2.35!) USER MOD Single : A 91 CYS SG : rot -10:sc= -1.74! USER MOD Single : A 92 HIS : no HE2:sc= -2.33 K(o=-2.3,f=-3.7!) USER MOD Single : A 94 SER OG : rot 58:sc= 1.3 USER MOD Single : B 8 THR OG1 : rot -156:sc= -2.65! USER MOD Single : B 10 THR OG1 : rot 59:sc= -0.366 USER MOD Single : B 16 SER OG : rot 80:sc= 1.28 USER MOD Single : B 22 GLN : amide:sc= -2.78 X(o=-2.8,f=-2.3!) USER MOD Single : B 23 LYS NZ :NH3+ 140:sc= 1.21 (180deg=1.08) USER MOD Single : B 33 THR OG1 : rot 17:sc= 0.732 USER MOD Single : B 35 SER OG : rot 180:sc= -0.0414 USER MOD Single : B 36 LYS NZ :NH3+ -168:sc= 1.76 (180deg=1.45) USER MOD Single : B 37 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot 13:sc= 0.152 USER MOD Single : B 43 MET CE :methyl -175:sc= -0.314 (180deg=-0.489) USER MOD Single : B 44 ASN : amide:sc= -0.168 K(o=-0.17,f=-0.94) USER MOD Single : B 51 THR OG1 : rot 131:sc= 0.471 USER MOD Single : B 52 LYS NZ :NH3+ 168:sc= -0.042 (180deg=-0.204) USER MOD Single : B 63 MET CE :methyl -164:sc= -0.0736 (180deg=-0.417) USER MOD Single : B 64 MET CE :methyl -163:sc= -0.862 (180deg=-1.27) USER MOD Single : B 65 LYS NZ :NH3+ -165:sc= -0.0552 (180deg=-0.283) USER MOD Single : B 66 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00912) USER MOD Single : B 69 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 ASN : amide:sc= -1.25 K(o=-1.2,f=-0.013) USER MOD Single : B 71 SER OG : rot -46:sc= 0.644 USER MOD Single : B 74 GLN : amide:sc= -3.59! C(o=-3.6!,f=-6.7!) USER MOD Single : B 78 SER OG : rot 87:sc= 1.28 USER MOD Single : B 82 ASN : amide:sc= -1.24 K(o=-1.2,f=-0.011) USER MOD Single : B 89 MET CE :methyl -179:sc= -1.91! (180deg=-1.98!) USER MOD Single : B 91 CYS SG : rot -14:sc= -1.79! USER MOD Single : B 92 HIS : no HE2:sc= -2.27 K(o=-2.3,f=-3.8!) USER MOD Single : B 94 SER OG : rot 59:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 93 N PRO A 7 -6.346 8.672 12.489 1.00 0.69 N ATOM 94 CA PRO A 7 -6.468 8.045 11.172 1.00 0.54 C ATOM 95 C PRO A 7 -7.021 6.632 11.280 1.00 0.44 C ATOM 96 O PRO A 7 -7.133 6.079 12.377 1.00 0.56 O ATOM 97 CB PRO A 7 -5.024 8.009 10.680 1.00 0.61 C ATOM 98 CG PRO A 7 -4.235 7.856 11.927 1.00 0.75 C ATOM 99 CD PRO A 7 -4.944 8.700 12.952 1.00 0.82 C ATOM 0 HA PRO A 7 -7.148 8.580 10.510 1.00 0.54 H new ATOM 0 HB2 PRO A 7 -4.855 7.179 9.994 1.00 0.61 H new ATOM 0 HB3 PRO A 7 -4.759 8.922 10.147 1.00 0.61 H new ATOM 0 HG2 PRO A 7 -4.191 6.813 12.239 1.00 0.75 H new ATOM 0 HG3 PRO A 7 -3.207 8.190 11.786 1.00 0.75 H new ATOM 0 HD2 PRO A 7 -4.842 8.288 13.956 1.00 0.82 H new ATOM 0 HD3 PRO A 7 -4.549 9.715 12.983 1.00 0.82 H new ATOM 107 N THR A 8 -7.358 6.045 10.150 1.00 0.34 N ATOM 108 CA THR A 8 -7.864 4.687 10.131 1.00 0.27 C ATOM 109 C THR A 8 -6.715 3.719 9.977 1.00 0.28 C ATOM 110 O THR A 8 -5.553 4.119 10.058 1.00 0.35 O ATOM 111 CB THR A 8 -8.834 4.476 8.973 1.00 0.28 C ATOM 112 OG1 THR A 8 -8.105 4.442 7.744 1.00 0.36 O ATOM 113 CG2 THR A 8 -9.863 5.589 8.946 1.00 0.32 C ATOM 0 H THR A 8 -7.291 6.486 9.233 1.00 0.34 H new ATOM 0 HA THR A 8 -8.389 4.512 11.070 1.00 0.27 H new ATOM 0 HB THR A 8 -9.356 3.528 9.105 1.00 0.28 H new ATOM 0 HG1 THR A 8 -8.682 4.746 7.013 1.00 0.36 H new ATOM 0 HG21 THR A 8 -10.551 5.429 8.116 1.00 0.32 H new ATOM 0 HG22 THR A 8 -10.420 5.592 9.883 1.00 0.32 H new ATOM 0 HG23 THR A 8 -9.359 6.547 8.820 1.00 0.32 H new ATOM 121 N GLU A 9 -7.024 2.457 9.739 1.00 0.28 N ATOM 122 CA GLU A 9 -5.985 1.465 9.551 1.00 0.33 C ATOM 123 C GLU A 9 -5.199 1.750 8.272 1.00 0.36 C ATOM 124 O GLU A 9 -3.979 1.760 8.285 1.00 0.52 O ATOM 125 CB GLU A 9 -6.564 0.055 9.504 1.00 0.40 C ATOM 126 CG GLU A 9 -5.489 -1.008 9.594 1.00 0.56 C ATOM 127 CD GLU A 9 -4.784 -0.992 10.935 1.00 1.73 C ATOM 128 OE1 GLU A 9 -5.279 -1.638 11.882 1.00 2.48 O ATOM 129 OE2 GLU A 9 -3.740 -0.321 11.057 1.00 2.47 O ATOM 0 H GLU A 9 -7.977 2.099 9.672 1.00 0.28 H new ATOM 0 HA GLU A 9 -5.311 1.527 10.405 1.00 0.33 H new ATOM 0 HB2 GLU A 9 -7.270 -0.074 10.325 1.00 0.40 H new ATOM 0 HB3 GLU A 9 -7.125 -0.075 8.578 1.00 0.40 H new ATOM 0 HG2 GLU A 9 -5.935 -1.989 9.431 1.00 0.56 H new ATOM 0 HG3 GLU A 9 -4.759 -0.854 8.799 1.00 0.56 H new ATOM 136 N THR A 10 -5.902 2.032 7.185 1.00 0.26 N ATOM 137 CA THR A 10 -5.260 2.272 5.901 1.00 0.27 C ATOM 138 C THR A 10 -4.508 3.584 5.935 1.00 0.27 C ATOM 139 O THR A 10 -3.394 3.675 5.440 1.00 0.31 O ATOM 140 CB THR A 10 -6.266 2.260 4.716 1.00 0.27 C ATOM 141 OG1 THR A 10 -5.969 3.309 3.792 1.00 0.40 O ATOM 142 CG2 THR A 10 -7.707 2.397 5.189 1.00 0.25 C ATOM 0 H THR A 10 -6.920 2.100 7.167 1.00 0.26 H new ATOM 0 HA THR A 10 -4.562 1.452 5.733 1.00 0.27 H new ATOM 0 HB THR A 10 -6.160 1.295 4.221 1.00 0.27 H new ATOM 0 HG1 THR A 10 -5.046 3.216 3.477 1.00 0.40 H new ATOM 0 HG21 THR A 10 -8.375 2.384 4.328 1.00 0.25 H new ATOM 0 HG22 THR A 10 -7.953 1.567 5.852 1.00 0.25 H new ATOM 0 HG23 THR A 10 -7.826 3.338 5.726 1.00 0.25 H new ATOM 150 N GLU A 11 -5.097 4.579 6.573 1.00 0.25 N ATOM 151 CA GLU A 11 -4.504 5.901 6.619 1.00 0.27 C ATOM 152 C GLU A 11 -3.187 5.885 7.371 1.00 0.30 C ATOM 153 O GLU A 11 -2.181 6.409 6.897 1.00 0.32 O ATOM 154 CB GLU A 11 -5.470 6.875 7.262 1.00 0.29 C ATOM 155 CG GLU A 11 -6.826 6.850 6.604 1.00 0.41 C ATOM 156 CD GLU A 11 -7.778 7.881 7.173 1.00 1.11 C ATOM 157 OE1 GLU A 11 -7.686 8.160 8.384 1.00 1.85 O ATOM 158 OE2 GLU A 11 -8.639 8.390 6.425 1.00 1.71 O ATOM 0 H GLU A 11 -5.986 4.496 7.066 1.00 0.25 H new ATOM 0 HA GLU A 11 -4.299 6.222 5.598 1.00 0.27 H new ATOM 0 HB2 GLU A 11 -5.577 6.634 8.320 1.00 0.29 H new ATOM 0 HB3 GLU A 11 -5.059 7.883 7.205 1.00 0.29 H new ATOM 0 HG2 GLU A 11 -6.708 7.023 5.534 1.00 0.41 H new ATOM 0 HG3 GLU A 11 -7.262 5.858 6.720 1.00 0.41 H new ATOM 165 N ARG A 12 -3.194 5.255 8.531 1.00 0.35 N ATOM 166 CA ARG A 12 -1.985 5.138 9.330 1.00 0.42 C ATOM 167 C ARG A 12 -0.971 4.276 8.598 1.00 0.43 C ATOM 168 O ARG A 12 0.231 4.519 8.656 1.00 0.47 O ATOM 169 CB ARG A 12 -2.290 4.550 10.721 1.00 0.48 C ATOM 170 CG ARG A 12 -2.872 3.144 10.716 1.00 0.49 C ATOM 171 CD ARG A 12 -1.790 2.091 10.576 1.00 0.56 C ATOM 172 NE ARG A 12 -0.878 2.095 11.717 1.00 1.08 N ATOM 173 CZ ARG A 12 -1.117 1.458 12.862 1.00 1.35 C ATOM 174 NH1 ARG A 12 -2.187 0.679 12.990 1.00 1.86 N ATOM 175 NH2 ARG A 12 -0.266 1.576 13.871 1.00 1.95 N ATOM 0 H ARG A 12 -4.019 4.817 8.941 1.00 0.35 H new ATOM 0 HA ARG A 12 -1.570 6.135 9.478 1.00 0.42 H new ATOM 0 HB2 ARG A 12 -1.370 4.543 11.305 1.00 0.48 H new ATOM 0 HB3 ARG A 12 -2.987 5.213 11.233 1.00 0.48 H new ATOM 0 HG2 ARG A 12 -3.426 2.976 11.639 1.00 0.49 H new ATOM 0 HG3 ARG A 12 -3.583 3.047 9.895 1.00 0.49 H new ATOM 0 HD2 ARG A 12 -2.250 1.107 10.482 1.00 0.56 H new ATOM 0 HD3 ARG A 12 -1.227 2.268 9.660 1.00 0.56 H new ATOM 0 HE ARG A 12 -0.006 2.617 11.632 1.00 1.08 H new ATOM 0 HH11 ARG A 12 -2.832 0.566 12.208 1.00 1.86 H new ATOM 0 HH12 ARG A 12 -2.363 0.195 13.870 1.00 1.86 H new ATOM 0 HH21 ARG A 12 0.569 2.153 13.769 1.00 1.95 H new ATOM 0 HH22 ARG A 12 -0.446 1.090 14.749 1.00 1.95 H new ATOM 189 N CYS A 13 -1.485 3.284 7.886 1.00 0.42 N ATOM 190 CA CYS A 13 -0.654 2.331 7.176 1.00 0.44 C ATOM 191 C CYS A 13 0.008 3.018 6.001 1.00 0.30 C ATOM 192 O CYS A 13 1.175 2.784 5.694 1.00 0.29 O ATOM 193 CB CYS A 13 -1.513 1.144 6.732 1.00 0.57 C ATOM 194 SG CYS A 13 -1.820 -0.069 8.037 1.00 2.16 S ATOM 0 H CYS A 13 -2.487 3.120 7.786 1.00 0.42 H new ATOM 0 HA CYS A 13 0.133 1.952 7.828 1.00 0.44 H new ATOM 0 HB2 CYS A 13 -2.469 1.517 6.365 1.00 0.57 H new ATOM 0 HB3 CYS A 13 -1.023 0.646 5.895 1.00 0.57 H new ATOM 0 HG CYS A 13 -2.904 0.251 8.680 1.00 2.16 H new ATOM 200 N ILE A 14 -0.749 3.902 5.383 1.00 0.26 N ATOM 201 CA ILE A 14 -0.254 4.752 4.329 1.00 0.24 C ATOM 202 C ILE A 14 0.921 5.599 4.813 1.00 0.21 C ATOM 203 O ILE A 14 1.977 5.630 4.182 1.00 0.23 O ATOM 204 CB ILE A 14 -1.381 5.670 3.822 1.00 0.24 C ATOM 205 CG1 ILE A 14 -2.339 4.901 2.913 1.00 0.25 C ATOM 206 CG2 ILE A 14 -0.818 6.882 3.106 1.00 0.27 C ATOM 207 CD1 ILE A 14 -3.576 5.692 2.574 1.00 0.27 C ATOM 0 H ILE A 14 -1.734 4.049 5.603 1.00 0.26 H new ATOM 0 HA ILE A 14 0.093 4.116 3.515 1.00 0.24 H new ATOM 0 HB ILE A 14 -1.941 6.022 4.688 1.00 0.24 H new ATOM 0 HG12 ILE A 14 -1.822 4.630 1.993 1.00 0.25 H new ATOM 0 HG13 ILE A 14 -2.629 3.971 3.401 1.00 0.25 H new ATOM 0 HG21 ILE A 14 -1.637 7.512 2.759 1.00 0.27 H new ATOM 0 HG22 ILE A 14 -0.188 7.450 3.791 1.00 0.27 H new ATOM 0 HG23 ILE A 14 -0.223 6.557 2.252 1.00 0.27 H new ATOM 0 HD11 ILE A 14 -4.221 5.098 1.926 1.00 0.27 H new ATOM 0 HD12 ILE A 14 -4.111 5.941 3.490 1.00 0.27 H new ATOM 0 HD13 ILE A 14 -3.291 6.610 2.060 1.00 0.27 H new ATOM 219 N GLU A 15 0.746 6.245 5.960 1.00 0.24 N ATOM 220 CA GLU A 15 1.743 7.163 6.482 1.00 0.28 C ATOM 221 C GLU A 15 2.946 6.392 6.949 1.00 0.30 C ATOM 222 O GLU A 15 4.054 6.918 7.037 1.00 0.34 O ATOM 223 CB GLU A 15 1.186 7.947 7.654 1.00 0.32 C ATOM 224 CG GLU A 15 -0.101 8.684 7.331 1.00 0.33 C ATOM 225 CD GLU A 15 -0.587 9.530 8.485 1.00 0.38 C ATOM 226 OE1 GLU A 15 -0.952 8.966 9.535 1.00 1.06 O ATOM 227 OE2 GLU A 15 -0.592 10.771 8.349 1.00 1.26 O ATOM 0 H GLU A 15 -0.083 6.147 6.547 1.00 0.24 H new ATOM 0 HA GLU A 15 2.022 7.853 5.686 1.00 0.28 H new ATOM 0 HB2 GLU A 15 1.006 7.265 8.485 1.00 0.32 H new ATOM 0 HB3 GLU A 15 1.934 8.666 7.988 1.00 0.32 H new ATOM 0 HG2 GLU A 15 0.057 9.320 6.460 1.00 0.33 H new ATOM 0 HG3 GLU A 15 -0.872 7.962 7.064 1.00 0.33 H new ATOM 234 N SER A 16 2.711 5.142 7.263 1.00 0.31 N ATOM 235 CA SER A 16 3.765 4.282 7.697 1.00 0.38 C ATOM 236 C SER A 16 4.606 3.841 6.507 1.00 0.29 C ATOM 237 O SER A 16 5.805 3.618 6.636 1.00 0.28 O ATOM 238 CB SER A 16 3.189 3.103 8.459 1.00 0.54 C ATOM 239 OG SER A 16 2.474 3.546 9.602 1.00 0.97 O ATOM 0 H SER A 16 1.791 4.703 7.223 1.00 0.31 H new ATOM 0 HA SER A 16 4.424 4.823 8.377 1.00 0.38 H new ATOM 0 HB2 SER A 16 2.527 2.532 7.809 1.00 0.54 H new ATOM 0 HB3 SER A 16 3.993 2.433 8.764 1.00 0.54 H new ATOM 0 HG SER A 16 1.630 3.957 9.321 1.00 0.97 H new ATOM 245 N LEU A 17 3.981 3.747 5.339 1.00 0.27 N ATOM 246 CA LEU A 17 4.723 3.525 4.106 1.00 0.28 C ATOM 247 C LEU A 17 5.551 4.762 3.806 1.00 0.27 C ATOM 248 O LEU A 17 6.641 4.675 3.256 1.00 0.32 O ATOM 249 CB LEU A 17 3.782 3.244 2.940 1.00 0.29 C ATOM 250 CG LEU A 17 2.745 2.161 3.208 1.00 0.33 C ATOM 251 CD1 LEU A 17 1.735 2.098 2.075 1.00 0.33 C ATOM 252 CD2 LEU A 17 3.414 0.807 3.411 1.00 0.46 C ATOM 0 H LEU A 17 2.971 3.820 5.221 1.00 0.27 H new ATOM 0 HA LEU A 17 5.369 2.656 4.234 1.00 0.28 H new ATOM 0 HB2 LEU A 17 3.265 4.167 2.677 1.00 0.29 H new ATOM 0 HB3 LEU A 17 4.376 2.954 2.073 1.00 0.29 H new ATOM 0 HG LEU A 17 2.215 2.416 4.126 1.00 0.33 H new ATOM 0 HD11 LEU A 17 1.002 1.319 2.284 1.00 0.33 H new ATOM 0 HD12 LEU A 17 1.228 3.059 1.986 1.00 0.33 H new ATOM 0 HD13 LEU A 17 2.249 1.871 1.141 1.00 0.33 H new ATOM 0 HD21 LEU A 17 2.653 0.050 3.601 1.00 0.46 H new ATOM 0 HD22 LEU A 17 3.975 0.541 2.515 1.00 0.46 H new ATOM 0 HD23 LEU A 17 4.093 0.860 4.262 1.00 0.46 H new ATOM 264 N ILE A 18 5.007 5.919 4.169 1.00 0.27 N ATOM 265 CA ILE A 18 5.747 7.165 4.116 1.00 0.30 C ATOM 266 C ILE A 18 6.966 7.064 5.026 1.00 0.28 C ATOM 267 O ILE A 18 8.074 7.394 4.621 1.00 0.30 O ATOM 268 CB ILE A 18 4.858 8.385 4.512 1.00 0.36 C ATOM 269 CG1 ILE A 18 4.105 8.933 3.297 1.00 0.63 C ATOM 270 CG2 ILE A 18 5.680 9.493 5.150 1.00 0.47 C ATOM 271 CD1 ILE A 18 3.080 7.986 2.721 1.00 1.37 C ATOM 0 H ILE A 18 4.049 6.015 4.505 1.00 0.27 H new ATOM 0 HA ILE A 18 6.072 7.331 3.089 1.00 0.30 H new ATOM 0 HB ILE A 18 4.135 8.028 5.246 1.00 0.36 H new ATOM 0 HG12 ILE A 18 3.607 9.860 3.581 1.00 0.63 H new ATOM 0 HG13 ILE A 18 4.827 9.184 2.520 1.00 0.63 H new ATOM 0 HG21 ILE A 18 5.027 10.325 5.412 1.00 0.47 H new ATOM 0 HG22 ILE A 18 6.165 9.114 6.050 1.00 0.47 H new ATOM 0 HG23 ILE A 18 6.439 9.835 4.446 1.00 0.47 H new ATOM 0 HD11 ILE A 18 2.594 8.453 1.864 1.00 1.37 H new ATOM 0 HD12 ILE A 18 3.572 7.067 2.402 1.00 1.37 H new ATOM 0 HD13 ILE A 18 2.333 7.753 3.480 1.00 1.37 H new ATOM 283 N ALA A 19 6.753 6.552 6.231 1.00 0.25 N ATOM 284 CA ALA A 19 7.823 6.391 7.206 1.00 0.25 C ATOM 285 C ALA A 19 8.918 5.454 6.698 1.00 0.23 C ATOM 286 O ALA A 19 10.081 5.843 6.609 1.00 0.28 O ATOM 287 CB ALA A 19 7.259 5.876 8.521 1.00 0.28 C ATOM 0 H ALA A 19 5.839 6.238 6.559 1.00 0.25 H new ATOM 0 HA ALA A 19 8.275 7.370 7.366 1.00 0.25 H new ATOM 0 HB1 ALA A 19 8.067 5.759 9.243 1.00 0.28 H new ATOM 0 HB2 ALA A 19 6.528 6.587 8.907 1.00 0.28 H new ATOM 0 HB3 ALA A 19 6.777 4.912 8.357 1.00 0.28 H new ATOM 293 N VAL A 20 8.540 4.225 6.348 1.00 0.20 N ATOM 294 CA VAL A 20 9.513 3.214 5.945 1.00 0.22 C ATOM 295 C VAL A 20 10.197 3.606 4.642 1.00 0.23 C ATOM 296 O VAL A 20 11.414 3.443 4.489 1.00 0.27 O ATOM 297 CB VAL A 20 8.866 1.811 5.817 1.00 0.27 C ATOM 298 CG1 VAL A 20 7.939 1.571 6.971 1.00 0.87 C ATOM 299 CG2 VAL A 20 8.114 1.634 4.510 1.00 0.87 C ATOM 0 H VAL A 20 7.571 3.908 6.336 1.00 0.20 H new ATOM 0 HA VAL A 20 10.266 3.161 6.731 1.00 0.22 H new ATOM 0 HB VAL A 20 9.675 1.081 5.827 1.00 0.27 H new ATOM 0 HG11 VAL A 20 7.487 0.584 6.876 1.00 0.87 H new ATOM 0 HG12 VAL A 20 8.499 1.625 7.905 1.00 0.87 H new ATOM 0 HG13 VAL A 20 7.156 2.329 6.973 1.00 0.87 H new ATOM 0 HG21 VAL A 20 7.681 0.635 4.472 1.00 0.87 H new ATOM 0 HG22 VAL A 20 7.319 2.377 4.444 1.00 0.87 H new ATOM 0 HG23 VAL A 20 8.802 1.763 3.674 1.00 0.87 H new ATOM 309 N PHE A 21 9.417 4.145 3.713 1.00 0.23 N ATOM 310 CA PHE A 21 9.980 4.605 2.447 1.00 0.25 C ATOM 311 C PHE A 21 10.992 5.715 2.686 1.00 0.29 C ATOM 312 O PHE A 21 12.125 5.639 2.230 1.00 0.35 O ATOM 313 CB PHE A 21 8.890 5.106 1.498 1.00 0.26 C ATOM 314 CG PHE A 21 9.424 5.665 0.208 1.00 0.91 C ATOM 315 CD1 PHE A 21 9.876 4.822 -0.793 1.00 1.59 C ATOM 316 CD2 PHE A 21 9.476 7.035 -0.002 1.00 1.85 C ATOM 317 CE1 PHE A 21 10.370 5.332 -1.978 1.00 2.17 C ATOM 318 CE2 PHE A 21 9.968 7.549 -1.186 1.00 2.48 C ATOM 319 CZ PHE A 21 10.415 6.696 -2.173 1.00 2.40 C ATOM 0 H PHE A 21 8.410 4.274 3.808 1.00 0.23 H new ATOM 0 HA PHE A 21 10.477 3.753 1.983 1.00 0.25 H new ATOM 0 HB2 PHE A 21 8.210 4.285 1.274 1.00 0.26 H new ATOM 0 HB3 PHE A 21 8.306 5.875 2.003 1.00 0.26 H new ATOM 0 HD1 PHE A 21 9.842 3.753 -0.646 1.00 1.59 H new ATOM 0 HD2 PHE A 21 9.128 7.707 0.768 1.00 1.85 H new ATOM 0 HE1 PHE A 21 10.720 4.663 -2.750 1.00 2.17 H new ATOM 0 HE2 PHE A 21 10.003 8.618 -1.339 1.00 2.48 H new ATOM 0 HZ PHE A 21 10.800 7.097 -3.099 1.00 2.40 H new ATOM 329 N GLN A 22 10.583 6.721 3.441 1.00 0.30 N ATOM 330 CA GLN A 22 11.374 7.928 3.609 1.00 0.37 C ATOM 331 C GLN A 22 12.587 7.710 4.503 1.00 0.36 C ATOM 332 O GLN A 22 13.513 8.514 4.484 1.00 0.44 O ATOM 333 CB GLN A 22 10.498 9.058 4.144 1.00 0.47 C ATOM 334 CG GLN A 22 9.614 9.681 3.077 1.00 1.12 C ATOM 335 CD GLN A 22 8.790 10.838 3.599 1.00 1.98 C ATOM 336 OE1 GLN A 22 8.434 10.889 4.773 1.00 2.68 O ATOM 337 NE2 GLN A 22 8.472 11.777 2.723 1.00 2.66 N ATOM 0 H GLN A 22 9.700 6.725 3.951 1.00 0.30 H new ATOM 0 HA GLN A 22 11.758 8.207 2.628 1.00 0.37 H new ATOM 0 HB2 GLN A 22 9.871 8.674 4.949 1.00 0.47 H new ATOM 0 HB3 GLN A 22 11.135 9.830 4.577 1.00 0.47 H new ATOM 0 HG2 GLN A 22 10.237 10.028 2.253 1.00 1.12 H new ATOM 0 HG3 GLN A 22 8.947 8.919 2.674 1.00 1.12 H new ATOM 0 HE21 GLN A 22 8.786 11.700 1.756 1.00 2.66 H new ATOM 0 HE22 GLN A 22 7.912 12.578 3.015 1.00 2.66 H new ATOM 346 N LYS A 23 12.595 6.647 5.296 1.00 0.35 N ATOM 347 CA LYS A 23 13.758 6.373 6.123 1.00 0.39 C ATOM 348 C LYS A 23 14.857 5.686 5.311 1.00 0.40 C ATOM 349 O LYS A 23 16.036 5.997 5.475 1.00 0.49 O ATOM 350 CB LYS A 23 13.383 5.551 7.361 1.00 0.41 C ATOM 351 CG LYS A 23 12.832 4.185 7.067 1.00 0.42 C ATOM 352 CD LYS A 23 12.168 3.615 8.296 1.00 0.63 C ATOM 353 CE LYS A 23 12.164 2.110 8.247 1.00 0.63 C ATOM 354 NZ LYS A 23 11.448 1.499 9.399 1.00 0.91 N ATOM 0 H LYS A 23 11.830 5.977 5.383 1.00 0.35 H new ATOM 0 HA LYS A 23 14.149 7.328 6.473 1.00 0.39 H new ATOM 0 HB2 LYS A 23 14.267 5.443 7.990 1.00 0.41 H new ATOM 0 HB3 LYS A 23 12.646 6.108 7.940 1.00 0.41 H new ATOM 0 HG2 LYS A 23 12.113 4.243 6.250 1.00 0.42 H new ATOM 0 HG3 LYS A 23 13.634 3.524 6.739 1.00 0.42 H new ATOM 0 HD2 LYS A 23 12.693 3.954 9.189 1.00 0.63 H new ATOM 0 HD3 LYS A 23 11.145 3.985 8.368 1.00 0.63 H new ATOM 0 HE2 LYS A 23 11.696 1.782 7.319 1.00 0.63 H new ATOM 0 HE3 LYS A 23 13.192 1.749 8.231 1.00 0.63 H new ATOM 0 HZ1 LYS A 23 11.089 0.561 9.127 1.00 0.91 H new ATOM 0 HZ2 LYS A 23 12.102 1.400 10.201 1.00 0.91 H new ATOM 0 HZ3 LYS A 23 10.651 2.108 9.675 1.00 0.91 H new ATOM 368 N TYR A 24 14.479 4.775 4.415 1.00 0.36 N ATOM 369 CA TYR A 24 15.469 4.083 3.591 1.00 0.39 C ATOM 370 C TYR A 24 15.823 4.886 2.350 1.00 0.34 C ATOM 371 O TYR A 24 16.983 4.951 1.960 1.00 0.40 O ATOM 372 CB TYR A 24 14.988 2.690 3.212 1.00 0.46 C ATOM 373 CG TYR A 24 15.269 1.662 4.283 1.00 0.86 C ATOM 374 CD1 TYR A 24 14.363 1.419 5.305 1.00 1.67 C ATOM 375 CD2 TYR A 24 16.455 0.939 4.273 1.00 1.52 C ATOM 376 CE1 TYR A 24 14.633 0.487 6.287 1.00 1.99 C ATOM 377 CE2 TYR A 24 16.729 0.004 5.250 1.00 1.83 C ATOM 378 CZ TYR A 24 15.814 -0.219 6.254 1.00 1.72 C ATOM 379 OH TYR A 24 16.088 -1.147 7.234 1.00 2.15 O ATOM 0 H TYR A 24 13.511 4.502 4.243 1.00 0.36 H new ATOM 0 HA TYR A 24 16.375 3.980 4.189 1.00 0.39 H new ATOM 0 HB2 TYR A 24 13.916 2.721 3.017 1.00 0.46 H new ATOM 0 HB3 TYR A 24 15.472 2.383 2.285 1.00 0.46 H new ATOM 0 HD1 TYR A 24 13.433 1.967 5.333 1.00 1.67 H new ATOM 0 HD2 TYR A 24 17.175 1.112 3.487 1.00 1.52 H new ATOM 0 HE1 TYR A 24 13.920 0.312 7.079 1.00 1.99 H new ATOM 0 HE2 TYR A 24 17.656 -0.550 5.227 1.00 1.83 H new ATOM 0 HH TYR A 24 15.642 -1.992 7.018 1.00 2.15 H new ATOM 389 N ALA A 25 14.829 5.506 1.739 1.00 0.29 N ATOM 390 CA ALA A 25 15.078 6.415 0.629 1.00 0.34 C ATOM 391 C ALA A 25 15.719 7.689 1.162 1.00 0.47 C ATOM 392 O ALA A 25 16.354 8.449 0.430 1.00 0.58 O ATOM 393 CB ALA A 25 13.781 6.727 -0.101 1.00 0.37 C ATOM 0 H ALA A 25 13.846 5.399 1.989 1.00 0.29 H new ATOM 0 HA ALA A 25 15.757 5.945 -0.083 1.00 0.34 H new ATOM 0 HB1 ALA A 25 13.984 7.408 -0.928 1.00 0.37 H new ATOM 0 HB2 ALA A 25 13.350 5.804 -0.488 1.00 0.37 H new ATOM 0 HB3 ALA A 25 13.078 7.194 0.589 1.00 0.37 H new ATOM 399 N GLY A 26 15.557 7.896 2.464 1.00 0.49 N ATOM 400 CA GLY A 26 16.153 9.035 3.128 1.00 0.64 C ATOM 401 C GLY A 26 17.607 8.797 3.473 1.00 0.75 C ATOM 402 O GLY A 26 18.255 9.648 4.084 1.00 0.96 O ATOM 0 H GLY A 26 15.016 7.285 3.076 1.00 0.49 H new ATOM 0 HA2 GLY A 26 16.072 9.912 2.485 1.00 0.64 H new ATOM 0 HA3 GLY A 26 15.596 9.255 4.039 1.00 0.64 H new ATOM 503 N THR A 33 13.626 8.688 -3.918 1.00 0.67 N ATOM 504 CA THR A 33 13.759 7.391 -4.550 1.00 0.46 C ATOM 505 C THR A 33 14.672 6.493 -3.726 1.00 0.38 C ATOM 506 O THR A 33 15.691 6.932 -3.199 1.00 0.44 O ATOM 507 CB THR A 33 14.313 7.542 -5.983 1.00 0.45 C ATOM 508 OG1 THR A 33 14.141 8.895 -6.437 1.00 0.66 O ATOM 509 CG2 THR A 33 13.608 6.603 -6.947 1.00 0.43 C ATOM 0 HA THR A 33 12.772 6.932 -4.606 1.00 0.46 H new ATOM 0 HB THR A 33 15.373 7.289 -5.958 1.00 0.45 H new ATOM 0 HG1 THR A 33 13.954 9.476 -5.670 1.00 0.66 H new ATOM 0 HG21 THR A 33 14.020 6.733 -7.948 1.00 0.43 H new ATOM 0 HG22 THR A 33 13.756 5.572 -6.624 1.00 0.43 H new ATOM 0 HG23 THR A 33 12.542 6.829 -6.961 1.00 0.43 H new ATOM 517 N LEU A 34 14.265 5.248 -3.605 1.00 0.32 N ATOM 518 CA LEU A 34 14.999 4.245 -2.863 1.00 0.30 C ATOM 519 C LEU A 34 16.013 3.592 -3.783 1.00 0.31 C ATOM 520 O LEU A 34 15.648 2.870 -4.711 1.00 0.34 O ATOM 521 CB LEU A 34 13.987 3.225 -2.320 1.00 0.30 C ATOM 522 CG LEU A 34 13.946 3.058 -0.805 1.00 0.29 C ATOM 523 CD1 LEU A 34 12.610 2.488 -0.362 1.00 0.45 C ATOM 524 CD2 LEU A 34 15.062 2.150 -0.350 1.00 0.28 C ATOM 0 H LEU A 34 13.403 4.899 -4.025 1.00 0.32 H new ATOM 0 HA LEU A 34 15.543 4.684 -2.026 1.00 0.30 H new ATOM 0 HB2 LEU A 34 12.993 3.515 -2.660 1.00 0.30 H new ATOM 0 HB3 LEU A 34 14.206 2.255 -2.766 1.00 0.30 H new ATOM 0 HG LEU A 34 14.074 4.041 -0.351 1.00 0.29 H new ATOM 0 HD11 LEU A 34 12.603 2.377 0.722 1.00 0.45 H new ATOM 0 HD12 LEU A 34 11.809 3.163 -0.663 1.00 0.45 H new ATOM 0 HD13 LEU A 34 12.458 1.514 -0.827 1.00 0.45 H new ATOM 0 HD21 LEU A 34 15.022 2.039 0.734 1.00 0.28 H new ATOM 0 HD22 LEU A 34 14.950 1.173 -0.819 1.00 0.28 H new ATOM 0 HD23 LEU A 34 16.021 2.582 -0.635 1.00 0.28 H new ATOM 536 N SER A 35 17.282 3.883 -3.538 1.00 0.32 N ATOM 537 CA SER A 35 18.353 3.432 -4.405 1.00 0.33 C ATOM 538 C SER A 35 18.527 1.920 -4.317 1.00 0.32 C ATOM 539 O SER A 35 18.009 1.289 -3.396 1.00 0.30 O ATOM 540 CB SER A 35 19.653 4.161 -4.055 1.00 0.37 C ATOM 541 OG SER A 35 20.691 3.857 -4.976 1.00 0.40 O ATOM 0 H SER A 35 17.594 4.434 -2.738 1.00 0.32 H new ATOM 0 HA SER A 35 18.091 3.670 -5.436 1.00 0.33 H new ATOM 0 HB2 SER A 35 19.476 5.237 -4.048 1.00 0.37 H new ATOM 0 HB3 SER A 35 19.966 3.883 -3.049 1.00 0.37 H new ATOM 0 HG SER A 35 21.505 4.341 -4.723 1.00 0.40 H new ATOM 547 N LYS A 36 19.272 1.354 -5.274 1.00 0.38 N ATOM 548 CA LYS A 36 19.431 -0.096 -5.397 1.00 0.42 C ATOM 549 C LYS A 36 19.751 -0.728 -4.051 1.00 0.36 C ATOM 550 O LYS A 36 18.962 -1.499 -3.516 1.00 0.35 O ATOM 551 CB LYS A 36 20.536 -0.431 -6.409 1.00 0.53 C ATOM 552 CG LYS A 36 20.804 -1.925 -6.568 1.00 0.62 C ATOM 553 CD LYS A 36 19.558 -2.670 -7.013 1.00 0.66 C ATOM 554 CE LYS A 36 19.819 -4.152 -7.242 1.00 0.61 C ATOM 555 NZ LYS A 36 20.594 -4.402 -8.486 1.00 0.65 N ATOM 0 H LYS A 36 19.779 1.887 -5.981 1.00 0.38 H new ATOM 0 HA LYS A 36 18.486 -0.506 -5.753 1.00 0.42 H new ATOM 0 HB2 LYS A 36 20.263 -0.017 -7.379 1.00 0.53 H new ATOM 0 HB3 LYS A 36 21.458 0.062 -6.100 1.00 0.53 H new ATOM 0 HG2 LYS A 36 21.600 -2.077 -7.297 1.00 0.62 H new ATOM 0 HG3 LYS A 36 21.156 -2.335 -5.621 1.00 0.62 H new ATOM 0 HD2 LYS A 36 18.779 -2.553 -6.259 1.00 0.66 H new ATOM 0 HD3 LYS A 36 19.180 -2.224 -7.933 1.00 0.66 H new ATOM 0 HE2 LYS A 36 20.363 -4.559 -6.390 1.00 0.61 H new ATOM 0 HE3 LYS A 36 18.868 -4.682 -7.296 1.00 0.61 H new ATOM 0 HZ1 LYS A 36 20.588 -5.420 -8.700 1.00 0.65 H new ATOM 0 HZ2 LYS A 36 20.162 -3.880 -9.275 1.00 0.65 H new ATOM 0 HZ3 LYS A 36 21.575 -4.082 -8.354 1.00 0.65 H new ATOM 569 N THR A 37 20.881 -0.348 -3.491 1.00 0.37 N ATOM 570 CA THR A 37 21.343 -0.906 -2.236 1.00 0.38 C ATOM 571 C THR A 37 20.409 -0.533 -1.086 1.00 0.36 C ATOM 572 O THR A 37 20.300 -1.257 -0.088 1.00 0.38 O ATOM 573 CB THR A 37 22.748 -0.393 -1.919 1.00 0.44 C ATOM 574 OG1 THR A 37 23.606 -0.587 -3.055 1.00 0.48 O ATOM 575 CG2 THR A 37 23.322 -1.117 -0.709 1.00 0.49 C ATOM 0 H THR A 37 21.504 0.354 -3.891 1.00 0.37 H new ATOM 0 HA THR A 37 21.356 -1.991 -2.342 1.00 0.38 H new ATOM 0 HB THR A 37 22.686 0.671 -1.690 1.00 0.44 H new ATOM 0 HG1 THR A 37 24.504 -0.255 -2.847 1.00 0.48 H new ATOM 0 HG21 THR A 37 24.322 -0.738 -0.499 1.00 0.49 H new ATOM 0 HG22 THR A 37 22.680 -0.946 0.155 1.00 0.49 H new ATOM 0 HG23 THR A 37 23.375 -2.186 -0.916 1.00 0.49 H new ATOM 583 N GLU A 38 19.718 0.582 -1.239 1.00 0.34 N ATOM 584 CA GLU A 38 18.868 1.089 -0.183 1.00 0.34 C ATOM 585 C GLU A 38 17.625 0.227 -0.036 1.00 0.34 C ATOM 586 O GLU A 38 17.161 -0.001 1.081 1.00 0.48 O ATOM 587 CB GLU A 38 18.500 2.549 -0.430 1.00 0.35 C ATOM 588 CG GLU A 38 19.704 3.475 -0.443 1.00 0.47 C ATOM 589 CD GLU A 38 19.334 4.921 -0.700 1.00 1.27 C ATOM 590 OE1 GLU A 38 18.336 5.163 -1.404 1.00 2.16 O ATOM 591 OE2 GLU A 38 20.066 5.816 -0.226 1.00 1.96 O ATOM 0 H GLU A 38 19.730 1.152 -2.085 1.00 0.34 H new ATOM 0 HA GLU A 38 19.424 1.043 0.753 1.00 0.34 H new ATOM 0 HB2 GLU A 38 17.978 2.629 -1.383 1.00 0.35 H new ATOM 0 HB3 GLU A 38 17.805 2.878 0.343 1.00 0.35 H new ATOM 0 HG2 GLU A 38 20.222 3.402 0.513 1.00 0.47 H new ATOM 0 HG3 GLU A 38 20.403 3.142 -1.210 1.00 0.47 H new ATOM 598 N PHE A 39 17.086 -0.284 -1.147 1.00 0.29 N ATOM 599 CA PHE A 39 15.944 -1.176 -1.035 1.00 0.31 C ATOM 600 C PHE A 39 16.409 -2.586 -0.800 1.00 0.28 C ATOM 601 O PHE A 39 15.668 -3.412 -0.303 1.00 0.27 O ATOM 602 CB PHE A 39 14.969 -1.131 -2.217 1.00 0.53 C ATOM 603 CG PHE A 39 15.548 -1.324 -3.583 1.00 0.81 C ATOM 604 CD1 PHE A 39 15.915 -2.582 -4.024 1.00 1.76 C ATOM 605 CD2 PHE A 39 15.689 -0.249 -4.440 1.00 1.78 C ATOM 606 CE1 PHE A 39 16.421 -2.762 -5.291 1.00 2.62 C ATOM 607 CE2 PHE A 39 16.189 -0.423 -5.712 1.00 2.66 C ATOM 608 CZ PHE A 39 16.557 -1.681 -6.135 1.00 2.88 C ATOM 0 H PHE A 39 17.411 -0.101 -2.096 1.00 0.29 H new ATOM 0 HA PHE A 39 15.376 -0.811 -0.179 1.00 0.31 H new ATOM 0 HB2 PHE A 39 14.210 -1.897 -2.059 1.00 0.53 H new ATOM 0 HB3 PHE A 39 14.458 -0.168 -2.198 1.00 0.53 H new ATOM 0 HD1 PHE A 39 15.803 -3.432 -3.367 1.00 1.76 H new ATOM 0 HD2 PHE A 39 15.404 0.739 -4.109 1.00 1.78 H new ATOM 0 HE1 PHE A 39 16.711 -3.748 -5.623 1.00 2.62 H new ATOM 0 HE2 PHE A 39 16.292 0.424 -6.375 1.00 2.66 H new ATOM 0 HZ PHE A 39 16.953 -1.821 -7.130 1.00 2.88 H new ATOM 618 N LEU A 40 17.639 -2.867 -1.168 1.00 0.33 N ATOM 619 CA LEU A 40 18.229 -4.138 -0.827 1.00 0.37 C ATOM 620 C LEU A 40 18.201 -4.333 0.685 1.00 0.40 C ATOM 621 O LEU A 40 17.703 -5.341 1.191 1.00 0.43 O ATOM 622 CB LEU A 40 19.667 -4.205 -1.314 1.00 0.43 C ATOM 623 CG LEU A 40 19.871 -4.081 -2.824 1.00 0.50 C ATOM 624 CD1 LEU A 40 21.223 -4.640 -3.232 1.00 1.07 C ATOM 625 CD2 LEU A 40 18.744 -4.756 -3.582 1.00 0.46 C ATOM 0 H LEU A 40 18.243 -2.239 -1.698 1.00 0.33 H new ATOM 0 HA LEU A 40 17.652 -4.927 -1.310 1.00 0.37 H new ATOM 0 HB2 LEU A 40 20.232 -3.412 -0.825 1.00 0.43 H new ATOM 0 HB3 LEU A 40 20.097 -5.152 -0.986 1.00 0.43 H new ATOM 0 HG LEU A 40 19.855 -3.022 -3.084 1.00 0.50 H new ATOM 0 HD11 LEU A 40 21.347 -4.542 -4.310 1.00 1.07 H new ATOM 0 HD12 LEU A 40 22.013 -4.088 -2.724 1.00 1.07 H new ATOM 0 HD13 LEU A 40 21.280 -5.693 -2.955 1.00 1.07 H new ATOM 0 HD21 LEU A 40 18.914 -4.653 -4.654 1.00 0.46 H new ATOM 0 HD22 LEU A 40 18.711 -5.813 -3.320 1.00 0.46 H new ATOM 0 HD23 LEU A 40 17.796 -4.287 -3.318 1.00 0.46 H new ATOM 637 N SER A 41 18.734 -3.351 1.397 1.00 0.42 N ATOM 638 CA SER A 41 18.725 -3.372 2.848 1.00 0.52 C ATOM 639 C SER A 41 17.297 -3.276 3.369 1.00 0.45 C ATOM 640 O SER A 41 16.936 -3.960 4.325 1.00 0.47 O ATOM 641 CB SER A 41 19.591 -2.239 3.406 1.00 0.67 C ATOM 642 OG SER A 41 19.344 -1.015 2.731 1.00 1.40 O ATOM 0 H SER A 41 19.179 -2.528 0.990 1.00 0.42 H new ATOM 0 HA SER A 41 19.148 -4.317 3.187 1.00 0.52 H new ATOM 0 HB2 SER A 41 19.390 -2.116 4.470 1.00 0.67 H new ATOM 0 HB3 SER A 41 20.644 -2.503 3.309 1.00 0.67 H new ATOM 0 HG SER A 41 18.486 -1.068 2.260 1.00 1.40 H new ATOM 648 N PHE A 42 16.488 -2.434 2.726 1.00 0.42 N ATOM 649 CA PHE A 42 15.067 -2.328 3.041 1.00 0.46 C ATOM 650 C PHE A 42 14.410 -3.692 2.971 1.00 0.29 C ATOM 651 O PHE A 42 13.919 -4.204 3.959 1.00 0.43 O ATOM 652 CB PHE A 42 14.363 -1.400 2.053 1.00 0.80 C ATOM 653 CG PHE A 42 12.908 -1.203 2.371 1.00 1.89 C ATOM 654 CD1 PHE A 42 11.944 -2.056 1.856 1.00 2.77 C ATOM 655 CD2 PHE A 42 12.507 -0.179 3.206 1.00 2.69 C ATOM 656 CE1 PHE A 42 10.612 -1.890 2.172 1.00 3.80 C ATOM 657 CE2 PHE A 42 11.177 -0.003 3.523 1.00 3.73 C ATOM 658 CZ PHE A 42 10.229 -0.862 3.007 1.00 4.13 C ATOM 0 H PHE A 42 16.797 -1.812 1.979 1.00 0.42 H new ATOM 0 HA PHE A 42 14.979 -1.923 4.049 1.00 0.46 H new ATOM 0 HB2 PHE A 42 14.864 -0.432 2.052 1.00 0.80 H new ATOM 0 HB3 PHE A 42 14.458 -1.809 1.047 1.00 0.80 H new ATOM 0 HD1 PHE A 42 12.240 -2.861 1.199 1.00 2.77 H new ATOM 0 HD2 PHE A 42 13.246 0.493 3.617 1.00 2.69 H new ATOM 0 HE1 PHE A 42 9.871 -2.563 1.767 1.00 3.80 H new ATOM 0 HE2 PHE A 42 10.878 0.805 4.174 1.00 3.73 H new ATOM 0 HZ PHE A 42 9.187 -0.729 3.257 1.00 4.13 H new ATOM 668 N MET A 43 14.415 -4.265 1.786 1.00 0.26 N ATOM 669 CA MET A 43 13.777 -5.549 1.532 1.00 0.29 C ATOM 670 C MET A 43 14.195 -6.623 2.531 1.00 0.29 C ATOM 671 O MET A 43 13.351 -7.339 3.049 1.00 0.37 O ATOM 672 CB MET A 43 14.096 -6.028 0.128 1.00 0.39 C ATOM 673 CG MET A 43 13.084 -5.612 -0.936 1.00 0.62 C ATOM 674 SD MET A 43 12.846 -3.829 -1.047 1.00 1.22 S ATOM 675 CE MET A 43 12.023 -3.704 -2.631 1.00 2.26 C ATOM 0 H MET A 43 14.862 -3.856 0.966 1.00 0.26 H new ATOM 0 HA MET A 43 12.705 -5.389 1.643 1.00 0.29 H new ATOM 0 HB2 MET A 43 15.077 -5.648 -0.156 1.00 0.39 H new ATOM 0 HB3 MET A 43 14.166 -7.116 0.137 1.00 0.39 H new ATOM 0 HG2 MET A 43 13.413 -5.987 -1.905 1.00 0.62 H new ATOM 0 HG3 MET A 43 12.126 -6.085 -0.719 1.00 0.62 H new ATOM 0 HE1 MET A 43 11.870 -2.654 -2.880 1.00 2.26 H new ATOM 0 HE2 MET A 43 12.638 -4.173 -3.399 1.00 2.26 H new ATOM 0 HE3 MET A 43 11.058 -4.209 -2.581 1.00 2.26 H new ATOM 685 N ASN A 44 15.485 -6.746 2.807 1.00 0.29 N ATOM 686 CA ASN A 44 15.944 -7.799 3.714 1.00 0.33 C ATOM 687 C ASN A 44 15.532 -7.535 5.153 1.00 0.32 C ATOM 688 O ASN A 44 15.501 -8.458 5.960 1.00 0.39 O ATOM 689 CB ASN A 44 17.454 -7.973 3.691 1.00 0.42 C ATOM 690 CG ASN A 44 17.974 -8.705 2.471 1.00 1.05 C ATOM 691 OD1 ASN A 44 18.001 -9.935 2.438 1.00 1.54 O ATOM 692 ND2 ASN A 44 18.423 -7.962 1.475 1.00 1.83 N ATOM 0 H ASN A 44 16.220 -6.148 2.429 1.00 0.29 H new ATOM 0 HA ASN A 44 15.467 -8.709 3.350 1.00 0.33 H new ATOM 0 HB2 ASN A 44 17.923 -6.990 3.739 1.00 0.42 H new ATOM 0 HB3 ASN A 44 17.760 -8.516 4.585 1.00 0.42 H new ATOM 0 HD21 ASN A 44 18.809 -8.406 0.642 1.00 1.83 H new ATOM 0 HD22 ASN A 44 18.384 -6.945 1.540 1.00 1.83 H new ATOM 699 N THR A 45 15.248 -6.288 5.490 1.00 0.26 N ATOM 700 CA THR A 45 14.892 -5.958 6.866 1.00 0.29 C ATOM 701 C THR A 45 13.396 -5.718 7.018 1.00 0.28 C ATOM 702 O THR A 45 12.699 -6.460 7.710 1.00 0.34 O ATOM 703 CB THR A 45 15.656 -4.715 7.362 1.00 0.29 C ATOM 704 OG1 THR A 45 15.480 -3.627 6.444 1.00 0.34 O ATOM 705 CG2 THR A 45 17.135 -5.016 7.512 1.00 0.34 C ATOM 0 H THR A 45 15.255 -5.498 4.845 1.00 0.26 H new ATOM 0 HA THR A 45 15.175 -6.818 7.473 1.00 0.29 H new ATOM 0 HB THR A 45 15.253 -4.437 8.336 1.00 0.29 H new ATOM 0 HG1 THR A 45 15.989 -3.804 5.626 1.00 0.34 H new ATOM 0 HG21 THR A 45 17.654 -4.124 7.863 1.00 0.34 H new ATOM 0 HG22 THR A 45 17.271 -5.822 8.233 1.00 0.34 H new ATOM 0 HG23 THR A 45 17.544 -5.318 6.548 1.00 0.34 H new ATOM 713 N GLU A 46 12.910 -4.704 6.327 1.00 0.23 N ATOM 714 CA GLU A 46 11.528 -4.283 6.417 1.00 0.25 C ATOM 715 C GLU A 46 10.612 -5.207 5.617 1.00 0.25 C ATOM 716 O GLU A 46 9.396 -5.095 5.695 1.00 0.34 O ATOM 717 CB GLU A 46 11.380 -2.849 5.918 1.00 0.29 C ATOM 718 CG GLU A 46 12.210 -1.839 6.691 1.00 0.58 C ATOM 719 CD GLU A 46 11.793 -1.721 8.143 1.00 1.17 C ATOM 720 OE1 GLU A 46 10.895 -0.907 8.441 1.00 1.70 O ATOM 721 OE2 GLU A 46 12.369 -2.430 8.989 1.00 1.68 O ATOM 0 H GLU A 46 13.470 -4.146 5.682 1.00 0.23 H new ATOM 0 HA GLU A 46 11.232 -4.334 7.465 1.00 0.25 H new ATOM 0 HB2 GLU A 46 11.665 -2.810 4.867 1.00 0.29 H new ATOM 0 HB3 GLU A 46 10.330 -2.561 5.975 1.00 0.29 H new ATOM 0 HG2 GLU A 46 13.260 -2.126 6.642 1.00 0.58 H new ATOM 0 HG3 GLU A 46 12.124 -0.863 6.213 1.00 0.58 H new ATOM 728 N LEU A 47 11.190 -6.100 4.831 1.00 0.25 N ATOM 729 CA LEU A 47 10.401 -7.081 4.098 1.00 0.26 C ATOM 730 C LEU A 47 11.007 -8.459 4.221 1.00 0.28 C ATOM 731 O LEU A 47 10.877 -9.288 3.321 1.00 0.30 O ATOM 732 CB LEU A 47 10.297 -6.704 2.628 1.00 0.26 C ATOM 733 CG LEU A 47 9.507 -5.438 2.354 1.00 0.27 C ATOM 734 CD1 LEU A 47 9.541 -5.107 0.876 1.00 0.32 C ATOM 735 CD2 LEU A 47 8.080 -5.608 2.852 1.00 0.27 C ATOM 0 H LEU A 47 12.197 -6.168 4.683 1.00 0.25 H new ATOM 0 HA LEU A 47 9.402 -7.091 4.534 1.00 0.26 H new ATOM 0 HB2 LEU A 47 11.303 -6.583 2.226 1.00 0.26 H new ATOM 0 HB3 LEU A 47 9.834 -7.529 2.087 1.00 0.26 H new ATOM 0 HG LEU A 47 9.960 -4.604 2.890 1.00 0.27 H new ATOM 0 HD11 LEU A 47 8.970 -4.196 0.694 1.00 0.32 H new ATOM 0 HD12 LEU A 47 10.573 -4.957 0.560 1.00 0.32 H new ATOM 0 HD13 LEU A 47 9.104 -5.929 0.309 1.00 0.32 H new ATOM 0 HD21 LEU A 47 7.515 -4.697 2.654 1.00 0.27 H new ATOM 0 HD22 LEU A 47 7.612 -6.446 2.335 1.00 0.27 H new ATOM 0 HD23 LEU A 47 8.090 -5.803 3.924 1.00 0.27 H new ATOM 747 N ALA A 48 11.693 -8.693 5.326 1.00 0.32 N ATOM 748 CA ALA A 48 12.328 -9.971 5.568 1.00 0.36 C ATOM 749 C ALA A 48 11.319 -11.117 5.581 1.00 0.39 C ATOM 750 O ALA A 48 11.686 -12.264 5.340 1.00 0.44 O ATOM 751 CB ALA A 48 13.118 -9.917 6.860 1.00 0.41 C ATOM 0 H ALA A 48 11.823 -8.009 6.072 1.00 0.32 H new ATOM 0 HA ALA A 48 13.014 -10.170 4.745 1.00 0.36 H new ATOM 0 HB1 ALA A 48 13.593 -10.882 7.036 1.00 0.41 H new ATOM 0 HB2 ALA A 48 13.883 -9.144 6.787 1.00 0.41 H new ATOM 0 HB3 ALA A 48 12.447 -9.687 7.687 1.00 0.41 H new ATOM 757 N ALA A 49 10.052 -10.809 5.838 1.00 0.38 N ATOM 758 CA ALA A 49 8.996 -11.808 5.736 1.00 0.41 C ATOM 759 C ALA A 49 8.992 -12.412 4.342 1.00 0.41 C ATOM 760 O ALA A 49 8.903 -13.627 4.162 1.00 0.47 O ATOM 761 CB ALA A 49 7.643 -11.177 6.026 1.00 0.44 C ATOM 0 H ALA A 49 9.733 -9.881 6.117 1.00 0.38 H new ATOM 0 HA ALA A 49 9.183 -12.593 6.469 1.00 0.41 H new ATOM 0 HB1 ALA A 49 6.864 -11.935 5.946 1.00 0.44 H new ATOM 0 HB2 ALA A 49 7.644 -10.762 7.034 1.00 0.44 H new ATOM 0 HB3 ALA A 49 7.451 -10.382 5.306 1.00 0.44 H new ATOM 767 N PHE A 50 9.106 -11.533 3.370 1.00 0.36 N ATOM 768 CA PHE A 50 9.084 -11.898 1.969 1.00 0.37 C ATOM 769 C PHE A 50 10.476 -12.274 1.466 1.00 0.38 C ATOM 770 O PHE A 50 10.682 -13.345 0.898 1.00 0.44 O ATOM 771 CB PHE A 50 8.543 -10.717 1.178 1.00 0.35 C ATOM 772 CG PHE A 50 7.089 -10.436 1.444 1.00 0.70 C ATOM 773 CD1 PHE A 50 6.101 -11.107 0.741 1.00 1.32 C ATOM 774 CD2 PHE A 50 6.713 -9.502 2.397 1.00 1.63 C ATOM 775 CE1 PHE A 50 4.764 -10.853 0.984 1.00 1.66 C ATOM 776 CE2 PHE A 50 5.378 -9.243 2.644 1.00 2.09 C ATOM 777 CZ PHE A 50 4.402 -9.919 1.937 1.00 1.80 C ATOM 0 H PHE A 50 9.218 -10.532 3.532 1.00 0.36 H new ATOM 0 HA PHE A 50 8.446 -12.772 1.837 1.00 0.37 H new ATOM 0 HB2 PHE A 50 9.127 -9.829 1.420 1.00 0.35 H new ATOM 0 HB3 PHE A 50 8.680 -10.909 0.114 1.00 0.35 H new ATOM 0 HD1 PHE A 50 6.379 -11.837 -0.005 1.00 1.32 H new ATOM 0 HD2 PHE A 50 7.472 -8.971 2.953 1.00 1.63 H new ATOM 0 HE1 PHE A 50 4.003 -11.383 0.430 1.00 1.66 H new ATOM 0 HE2 PHE A 50 5.098 -8.513 3.389 1.00 2.09 H new ATOM 0 HZ PHE A 50 3.358 -9.718 2.128 1.00 1.80 H new ATOM 787 N THR A 51 11.429 -11.386 1.702 1.00 0.36 N ATOM 788 CA THR A 51 12.772 -11.509 1.157 1.00 0.40 C ATOM 789 C THR A 51 13.495 -12.765 1.639 1.00 0.45 C ATOM 790 O THR A 51 14.188 -13.430 0.867 1.00 0.54 O ATOM 791 CB THR A 51 13.599 -10.272 1.531 1.00 0.39 C ATOM 792 OG1 THR A 51 13.000 -9.102 0.964 1.00 0.39 O ATOM 793 CG2 THR A 51 15.036 -10.403 1.056 1.00 0.49 C ATOM 0 H THR A 51 11.292 -10.556 2.279 1.00 0.36 H new ATOM 0 HA THR A 51 12.669 -11.588 0.075 1.00 0.40 H new ATOM 0 HB THR A 51 13.612 -10.186 2.618 1.00 0.39 H new ATOM 0 HG1 THR A 51 12.323 -8.750 1.579 1.00 0.39 H new ATOM 0 HG21 THR A 51 15.595 -9.510 1.337 1.00 0.49 H new ATOM 0 HG22 THR A 51 15.494 -11.278 1.518 1.00 0.49 H new ATOM 0 HG23 THR A 51 15.052 -10.515 -0.028 1.00 0.49 H new ATOM 801 N LYS A 52 13.320 -13.097 2.909 1.00 0.48 N ATOM 802 CA LYS A 52 14.031 -14.220 3.500 1.00 0.60 C ATOM 803 C LYS A 52 13.350 -15.529 3.146 1.00 0.69 C ATOM 804 O LYS A 52 13.843 -16.614 3.458 1.00 0.84 O ATOM 805 CB LYS A 52 14.094 -14.062 5.011 1.00 0.70 C ATOM 806 CG LYS A 52 14.744 -12.758 5.451 1.00 0.78 C ATOM 807 CD LYS A 52 16.199 -12.670 5.022 1.00 1.07 C ATOM 808 CE LYS A 52 16.826 -11.347 5.439 1.00 1.24 C ATOM 809 NZ LYS A 52 16.810 -11.154 6.913 1.00 1.82 N ATOM 0 H LYS A 52 12.694 -12.607 3.548 1.00 0.48 H new ATOM 0 HA LYS A 52 15.045 -14.235 3.099 1.00 0.60 H new ATOM 0 HB2 LYS A 52 13.084 -14.112 5.417 1.00 0.70 H new ATOM 0 HB3 LYS A 52 14.650 -14.899 5.434 1.00 0.70 H new ATOM 0 HG2 LYS A 52 14.191 -11.918 5.030 1.00 0.78 H new ATOM 0 HG3 LYS A 52 14.681 -12.670 6.536 1.00 0.78 H new ATOM 0 HD2 LYS A 52 16.760 -13.494 5.463 1.00 1.07 H new ATOM 0 HD3 LYS A 52 16.267 -12.781 3.940 1.00 1.07 H new ATOM 0 HE2 LYS A 52 17.855 -11.306 5.081 1.00 1.24 H new ATOM 0 HE3 LYS A 52 16.290 -10.527 4.962 1.00 1.24 H new ATOM 0 HZ1 LYS A 52 17.752 -10.852 7.234 1.00 1.82 H new ATOM 0 HZ2 LYS A 52 16.110 -10.426 7.160 1.00 1.82 H new ATOM 0 HZ3 LYS A 52 16.557 -12.049 7.378 1.00 1.82 H new ATOM 902 N GLY A 58 18.993 -12.327 -5.675 1.00 0.67 N ATOM 903 CA GLY A 58 18.590 -11.876 -6.988 1.00 0.56 C ATOM 904 C GLY A 58 17.133 -11.482 -7.031 1.00 0.49 C ATOM 905 O GLY A 58 16.691 -10.823 -7.964 1.00 0.48 O ATOM 0 HA2 GLY A 58 19.204 -11.025 -7.283 1.00 0.56 H new ATOM 0 HA3 GLY A 58 18.773 -12.668 -7.715 1.00 0.56 H new ATOM 909 N VAL A 59 16.386 -11.879 -6.011 1.00 0.52 N ATOM 910 CA VAL A 59 14.970 -11.562 -5.932 1.00 0.52 C ATOM 911 C VAL A 59 14.741 -10.070 -5.793 1.00 0.49 C ATOM 912 O VAL A 59 13.853 -9.514 -6.433 1.00 0.49 O ATOM 913 CB VAL A 59 14.283 -12.301 -4.763 1.00 0.61 C ATOM 914 CG1 VAL A 59 14.988 -12.016 -3.444 1.00 0.65 C ATOM 915 CG2 VAL A 59 12.813 -11.915 -4.676 1.00 0.66 C ATOM 0 H VAL A 59 16.740 -12.423 -5.224 1.00 0.52 H new ATOM 0 HA VAL A 59 14.524 -11.901 -6.867 1.00 0.52 H new ATOM 0 HB VAL A 59 14.350 -13.372 -4.957 1.00 0.61 H new ATOM 0 HG11 VAL A 59 14.483 -12.549 -2.639 1.00 0.65 H new ATOM 0 HG12 VAL A 59 16.024 -12.349 -3.506 1.00 0.65 H new ATOM 0 HG13 VAL A 59 14.963 -10.945 -3.242 1.00 0.65 H new ATOM 0 HG21 VAL A 59 12.346 -12.446 -3.846 1.00 0.66 H new ATOM 0 HG22 VAL A 59 12.728 -10.841 -4.513 1.00 0.66 H new ATOM 0 HG23 VAL A 59 12.311 -12.182 -5.606 1.00 0.66 H new ATOM 925 N LEU A 60 15.553 -9.418 -4.980 1.00 0.48 N ATOM 926 CA LEU A 60 15.414 -7.984 -4.781 1.00 0.46 C ATOM 927 C LEU A 60 15.757 -7.272 -6.070 1.00 0.43 C ATOM 928 O LEU A 60 15.322 -6.151 -6.323 1.00 0.41 O ATOM 929 CB LEU A 60 16.321 -7.496 -3.658 1.00 0.48 C ATOM 930 CG LEU A 60 16.267 -8.331 -2.382 1.00 0.51 C ATOM 931 CD1 LEU A 60 17.027 -7.646 -1.261 1.00 0.51 C ATOM 932 CD2 LEU A 60 14.825 -8.592 -1.982 1.00 0.52 C ATOM 0 H LEU A 60 16.309 -9.852 -4.451 1.00 0.48 H new ATOM 0 HA LEU A 60 14.384 -7.765 -4.498 1.00 0.46 H new ATOM 0 HB2 LEU A 60 17.349 -7.480 -4.021 1.00 0.48 H new ATOM 0 HB3 LEU A 60 16.053 -6.468 -3.414 1.00 0.48 H new ATOM 0 HG LEU A 60 16.747 -9.291 -2.574 1.00 0.51 H new ATOM 0 HD11 LEU A 60 16.976 -8.258 -0.360 1.00 0.51 H new ATOM 0 HD12 LEU A 60 18.069 -7.517 -1.554 1.00 0.51 H new ATOM 0 HD13 LEU A 60 16.582 -6.671 -1.063 1.00 0.51 H new ATOM 0 HD21 LEU A 60 14.803 -9.189 -1.070 1.00 0.52 H new ATOM 0 HD22 LEU A 60 14.318 -7.643 -1.807 1.00 0.52 H new ATOM 0 HD23 LEU A 60 14.318 -9.132 -2.781 1.00 0.52 H new ATOM 944 N ASP A 61 16.530 -7.965 -6.884 1.00 0.46 N ATOM 945 CA ASP A 61 16.904 -7.478 -8.198 1.00 0.46 C ATOM 946 C ASP A 61 15.712 -7.591 -9.135 1.00 0.47 C ATOM 947 O ASP A 61 15.473 -6.729 -9.977 1.00 0.51 O ATOM 948 CB ASP A 61 18.080 -8.287 -8.743 1.00 0.47 C ATOM 949 CG ASP A 61 18.842 -7.553 -9.830 1.00 0.48 C ATOM 950 OD1 ASP A 61 19.800 -6.821 -9.501 1.00 1.19 O ATOM 951 OD2 ASP A 61 18.495 -7.714 -11.020 1.00 1.22 O ATOM 0 H ASP A 61 16.916 -8.881 -6.653 1.00 0.46 H new ATOM 0 HA ASP A 61 17.207 -6.433 -8.123 1.00 0.46 H new ATOM 0 HB2 ASP A 61 18.761 -8.526 -7.926 1.00 0.47 H new ATOM 0 HB3 ASP A 61 17.712 -9.234 -9.139 1.00 0.47 H new ATOM 956 N ARG A 62 14.955 -8.661 -8.952 1.00 0.47 N ATOM 957 CA ARG A 62 13.757 -8.907 -9.734 1.00 0.51 C ATOM 958 C ARG A 62 12.657 -7.932 -9.332 1.00 0.50 C ATOM 959 O ARG A 62 11.874 -7.482 -10.167 1.00 0.56 O ATOM 960 CB ARG A 62 13.318 -10.361 -9.544 1.00 0.55 C ATOM 961 CG ARG A 62 14.447 -11.329 -9.849 1.00 0.55 C ATOM 962 CD ARG A 62 14.134 -12.762 -9.469 1.00 0.62 C ATOM 963 NE ARG A 62 15.302 -13.615 -9.688 1.00 1.45 N ATOM 964 CZ ARG A 62 15.905 -14.332 -8.737 1.00 1.97 C ATOM 965 NH1 ARG A 62 15.344 -14.490 -7.545 1.00 1.66 N ATOM 966 NH2 ARG A 62 17.056 -14.933 -8.994 1.00 3.02 N ATOM 0 H ARG A 62 15.154 -9.381 -8.258 1.00 0.47 H new ATOM 0 HA ARG A 62 13.966 -8.746 -10.792 1.00 0.51 H new ATOM 0 HB2 ARG A 62 12.978 -10.508 -8.519 1.00 0.55 H new ATOM 0 HB3 ARG A 62 12.470 -10.574 -10.194 1.00 0.55 H new ATOM 0 HG2 ARG A 62 14.675 -11.285 -10.914 1.00 0.55 H new ATOM 0 HG3 ARG A 62 15.343 -11.008 -9.318 1.00 0.55 H new ATOM 0 HD2 ARG A 62 13.832 -12.810 -8.423 1.00 0.62 H new ATOM 0 HD3 ARG A 62 13.294 -13.126 -10.060 1.00 0.62 H new ATOM 0 HE ARG A 62 15.682 -13.665 -10.633 1.00 1.45 H new ATOM 0 HH11 ARG A 62 14.440 -14.061 -7.346 1.00 1.66 H new ATOM 0 HH12 ARG A 62 15.816 -15.041 -6.828 1.00 1.66 H new ATOM 0 HH21 ARG A 62 17.481 -14.848 -9.917 1.00 3.02 H new ATOM 0 HH22 ARG A 62 17.518 -15.481 -8.269 1.00 3.02 H new ATOM 980 N MET A 63 12.613 -7.594 -8.045 1.00 0.45 N ATOM 981 CA MET A 63 11.709 -6.554 -7.566 1.00 0.44 C ATOM 982 C MET A 63 12.125 -5.229 -8.166 1.00 0.41 C ATOM 983 O MET A 63 11.301 -4.490 -8.698 1.00 0.42 O ATOM 984 CB MET A 63 11.739 -6.432 -6.041 1.00 0.43 C ATOM 985 CG MET A 63 11.693 -7.767 -5.320 1.00 0.49 C ATOM 986 SD MET A 63 10.178 -8.696 -5.638 1.00 0.64 S ATOM 987 CE MET A 63 8.937 -7.604 -4.953 1.00 1.54 C ATOM 0 H MET A 63 13.189 -8.023 -7.320 1.00 0.45 H new ATOM 0 HA MET A 63 10.696 -6.823 -7.867 1.00 0.44 H new ATOM 0 HB2 MET A 63 12.644 -5.901 -5.746 1.00 0.43 H new ATOM 0 HB3 MET A 63 10.893 -5.825 -5.717 1.00 0.43 H new ATOM 0 HG2 MET A 63 12.550 -8.367 -5.625 1.00 0.49 H new ATOM 0 HG3 MET A 63 11.789 -7.597 -4.248 1.00 0.49 H new ATOM 0 HE1 MET A 63 8.010 -8.157 -4.801 1.00 1.54 H new ATOM 0 HE2 MET A 63 9.286 -7.210 -3.998 1.00 1.54 H new ATOM 0 HE3 MET A 63 8.758 -6.779 -5.642 1.00 1.54 H new ATOM 997 N MET A 64 13.426 -4.954 -8.074 1.00 0.41 N ATOM 998 CA MET A 64 14.019 -3.744 -8.622 1.00 0.42 C ATOM 999 C MET A 64 13.510 -3.463 -10.013 1.00 0.44 C ATOM 1000 O MET A 64 12.870 -2.459 -10.243 1.00 0.41 O ATOM 1001 CB MET A 64 15.543 -3.874 -8.670 1.00 0.55 C ATOM 1002 CG MET A 64 16.235 -2.738 -9.411 1.00 0.65 C ATOM 1003 SD MET A 64 17.937 -3.138 -9.847 1.00 1.87 S ATOM 1004 CE MET A 64 18.439 -1.638 -10.684 1.00 2.41 C ATOM 0 H MET A 64 14.097 -5.570 -7.615 1.00 0.41 H new ATOM 0 HA MET A 64 13.736 -2.918 -7.969 1.00 0.42 H new ATOM 0 HB2 MET A 64 15.927 -3.917 -7.651 1.00 0.55 H new ATOM 0 HB3 MET A 64 15.803 -4.818 -9.148 1.00 0.55 H new ATOM 0 HG2 MET A 64 15.676 -2.505 -10.317 1.00 0.65 H new ATOM 0 HG3 MET A 64 16.223 -1.842 -8.790 1.00 0.65 H new ATOM 0 HE1 MET A 64 19.368 -1.817 -11.225 1.00 2.41 H new ATOM 0 HE2 MET A 64 17.662 -1.336 -11.387 1.00 2.41 H new ATOM 0 HE3 MET A 64 18.593 -0.846 -9.951 1.00 2.41 H new ATOM 1014 N LYS A 65 13.752 -4.382 -10.917 1.00 0.52 N ATOM 1015 CA LYS A 65 13.527 -4.132 -12.332 1.00 0.56 C ATOM 1016 C LYS A 65 12.042 -4.113 -12.673 1.00 0.54 C ATOM 1017 O LYS A 65 11.633 -3.527 -13.675 1.00 0.60 O ATOM 1018 CB LYS A 65 14.273 -5.180 -13.139 1.00 0.66 C ATOM 1019 CG LYS A 65 15.722 -5.297 -12.700 1.00 0.79 C ATOM 1020 CD LYS A 65 16.517 -4.034 -13.005 1.00 0.86 C ATOM 1021 CE LYS A 65 16.633 -3.782 -14.498 1.00 1.57 C ATOM 1022 NZ LYS A 65 17.313 -4.900 -15.201 1.00 2.49 N ATOM 0 H LYS A 65 14.106 -5.314 -10.703 1.00 0.52 H new ATOM 0 HA LYS A 65 13.909 -3.143 -12.585 1.00 0.56 H new ATOM 0 HB2 LYS A 65 13.779 -6.145 -13.027 1.00 0.66 H new ATOM 0 HB3 LYS A 65 14.233 -4.922 -14.197 1.00 0.66 H new ATOM 0 HG2 LYS A 65 15.761 -5.500 -11.630 1.00 0.79 H new ATOM 0 HG3 LYS A 65 16.185 -6.146 -13.202 1.00 0.79 H new ATOM 0 HD2 LYS A 65 16.036 -3.179 -12.529 1.00 0.86 H new ATOM 0 HD3 LYS A 65 17.514 -4.120 -12.573 1.00 0.86 H new ATOM 0 HE2 LYS A 65 15.638 -3.641 -14.920 1.00 1.57 H new ATOM 0 HE3 LYS A 65 17.186 -2.858 -14.668 1.00 1.57 H new ATOM 0 HZ1 LYS A 65 17.583 -4.595 -16.158 1.00 2.49 H new ATOM 0 HZ2 LYS A 65 18.165 -5.176 -14.672 1.00 2.49 H new ATOM 0 HZ3 LYS A 65 16.668 -5.713 -15.266 1.00 2.49 H new ATOM 1036 N LYS A 66 11.243 -4.750 -11.834 1.00 0.50 N ATOM 1037 CA LYS A 66 9.796 -4.687 -11.960 1.00 0.52 C ATOM 1038 C LYS A 66 9.305 -3.287 -11.620 1.00 0.48 C ATOM 1039 O LYS A 66 8.507 -2.692 -12.343 1.00 0.55 O ATOM 1040 CB LYS A 66 9.144 -5.683 -11.001 1.00 0.55 C ATOM 1041 CG LYS A 66 7.626 -5.606 -10.983 1.00 0.91 C ATOM 1042 CD LYS A 66 7.054 -5.998 -9.627 1.00 0.96 C ATOM 1043 CE LYS A 66 7.538 -7.364 -9.169 1.00 0.73 C ATOM 1044 NZ LYS A 66 7.101 -8.453 -10.085 1.00 1.47 N ATOM 0 H LYS A 66 11.573 -5.319 -11.055 1.00 0.50 H new ATOM 0 HA LYS A 66 9.526 -4.933 -12.987 1.00 0.52 H new ATOM 0 HB2 LYS A 66 9.445 -6.693 -11.279 1.00 0.55 H new ATOM 0 HB3 LYS A 66 9.520 -5.505 -9.994 1.00 0.55 H new ATOM 0 HG2 LYS A 66 7.311 -4.592 -11.231 1.00 0.91 H new ATOM 0 HG3 LYS A 66 7.220 -6.263 -11.752 1.00 0.91 H new ATOM 0 HD2 LYS A 66 7.335 -5.249 -8.887 1.00 0.96 H new ATOM 0 HD3 LYS A 66 5.965 -6.000 -9.681 1.00 0.96 H new ATOM 0 HE2 LYS A 66 8.626 -7.359 -9.106 1.00 0.73 H new ATOM 0 HE3 LYS A 66 7.162 -7.563 -8.166 1.00 0.73 H new ATOM 0 HZ1 LYS A 66 7.454 -9.366 -9.733 1.00 1.47 H new ATOM 0 HZ2 LYS A 66 6.062 -8.476 -10.126 1.00 1.47 H new ATOM 0 HZ3 LYS A 66 7.481 -8.279 -11.037 1.00 1.47 H new ATOM 1058 N LEU A 67 9.807 -2.775 -10.511 1.00 0.41 N ATOM 1059 CA LEU A 67 9.318 -1.536 -9.932 1.00 0.39 C ATOM 1060 C LEU A 67 10.060 -0.330 -10.481 1.00 0.40 C ATOM 1061 O LEU A 67 9.515 0.765 -10.527 1.00 0.46 O ATOM 1062 CB LEU A 67 9.502 -1.595 -8.434 1.00 0.34 C ATOM 1063 CG LEU A 67 8.995 -2.879 -7.776 1.00 0.33 C ATOM 1064 CD1 LEU A 67 9.541 -3.003 -6.370 1.00 0.30 C ATOM 1065 CD2 LEU A 67 7.474 -2.926 -7.769 1.00 0.37 C ATOM 0 H LEU A 67 10.567 -3.207 -9.985 1.00 0.41 H new ATOM 0 HA LEU A 67 8.265 -1.427 -10.190 1.00 0.39 H new ATOM 0 HB2 LEU A 67 10.562 -1.481 -8.207 1.00 0.34 H new ATOM 0 HB3 LEU A 67 8.987 -0.746 -7.985 1.00 0.34 H new ATOM 0 HG LEU A 67 9.353 -3.725 -8.362 1.00 0.33 H new ATOM 0 HD11 LEU A 67 9.171 -3.922 -5.916 1.00 0.30 H new ATOM 0 HD12 LEU A 67 10.630 -3.028 -6.404 1.00 0.30 H new ATOM 0 HD13 LEU A 67 9.216 -2.148 -5.777 1.00 0.30 H new ATOM 0 HD21 LEU A 67 7.141 -3.849 -7.295 1.00 0.37 H new ATOM 0 HD22 LEU A 67 7.086 -2.073 -7.213 1.00 0.37 H new ATOM 0 HD23 LEU A 67 7.104 -2.890 -8.794 1.00 0.37 H new ATOM 1077 N ASP A 68 11.313 -0.537 -10.858 1.00 0.40 N ATOM 1078 CA ASP A 68 12.146 0.505 -11.455 1.00 0.42 C ATOM 1079 C ASP A 68 11.603 0.849 -12.832 1.00 0.52 C ATOM 1080 O ASP A 68 12.184 0.534 -13.872 1.00 0.56 O ATOM 1081 CB ASP A 68 13.601 0.033 -11.525 1.00 0.43 C ATOM 1082 CG ASP A 68 14.525 0.991 -12.255 1.00 0.46 C ATOM 1083 OD1 ASP A 68 14.522 2.201 -11.945 1.00 1.13 O ATOM 1084 OD2 ASP A 68 15.266 0.529 -13.148 1.00 1.23 O ATOM 0 H ASP A 68 11.786 -1.435 -10.759 1.00 0.40 H new ATOM 0 HA ASP A 68 12.120 1.405 -10.840 1.00 0.42 H new ATOM 0 HB2 ASP A 68 13.974 -0.114 -10.511 1.00 0.43 H new ATOM 0 HB3 ASP A 68 13.634 -0.937 -12.021 1.00 0.43 H new ATOM 1089 N THR A 69 10.456 1.476 -12.797 1.00 0.59 N ATOM 1090 CA THR A 69 9.672 1.775 -13.972 1.00 0.74 C ATOM 1091 C THR A 69 10.334 2.841 -14.844 1.00 0.84 C ATOM 1092 O THR A 69 10.022 2.975 -16.027 1.00 0.99 O ATOM 1093 CB THR A 69 8.274 2.229 -13.522 1.00 0.79 C ATOM 1094 OG1 THR A 69 7.314 2.023 -14.564 1.00 0.90 O ATOM 1095 CG2 THR A 69 8.280 3.696 -13.118 1.00 0.83 C ATOM 0 H THR A 69 10.029 1.802 -11.930 1.00 0.59 H new ATOM 0 HA THR A 69 9.596 0.877 -14.585 1.00 0.74 H new ATOM 0 HB THR A 69 7.996 1.627 -12.657 1.00 0.79 H new ATOM 0 HG1 THR A 69 6.431 2.317 -14.258 1.00 0.90 H new ATOM 0 HG21 THR A 69 7.279 3.991 -12.804 1.00 0.83 H new ATOM 0 HG22 THR A 69 8.977 3.843 -12.293 1.00 0.83 H new ATOM 0 HG23 THR A 69 8.588 4.306 -13.967 1.00 0.83 H new ATOM 1103 N ASN A 70 11.259 3.579 -14.260 1.00 0.80 N ATOM 1104 CA ASN A 70 11.927 4.656 -14.967 1.00 0.94 C ATOM 1105 C ASN A 70 13.288 4.196 -15.468 1.00 0.86 C ATOM 1106 O ASN A 70 13.971 4.902 -16.211 1.00 0.97 O ATOM 1107 CB ASN A 70 12.069 5.859 -14.041 1.00 1.01 C ATOM 1108 CG ASN A 70 12.475 7.129 -14.769 1.00 1.25 C ATOM 1109 OD1 ASN A 70 11.630 7.849 -15.301 1.00 1.46 O ATOM 1110 ND2 ASN A 70 13.762 7.426 -14.782 1.00 1.66 N ATOM 0 H ASN A 70 11.566 3.452 -13.296 1.00 0.80 H new ATOM 0 HA ASN A 70 11.331 4.945 -15.832 1.00 0.94 H new ATOM 0 HB2 ASN A 70 11.122 6.029 -13.528 1.00 1.01 H new ATOM 0 HB3 ASN A 70 12.811 5.634 -13.275 1.00 1.01 H new ATOM 0 HD21 ASN A 70 14.085 8.276 -15.244 1.00 1.66 H new ATOM 0 HD22 ASN A 70 14.433 6.805 -14.330 1.00 1.66 H new ATOM 1117 N SER A 71 13.657 2.989 -15.053 1.00 0.70 N ATOM 1118 CA SER A 71 14.920 2.374 -15.430 1.00 0.66 C ATOM 1119 C SER A 71 16.094 3.226 -14.954 1.00 0.61 C ATOM 1120 O SER A 71 17.101 3.374 -15.649 1.00 0.65 O ATOM 1121 CB SER A 71 14.979 2.145 -16.949 1.00 0.82 C ATOM 1122 OG SER A 71 16.155 1.449 -17.324 1.00 1.47 O ATOM 0 H SER A 71 13.083 2.408 -14.442 1.00 0.70 H new ATOM 0 HA SER A 71 14.991 1.402 -14.943 1.00 0.66 H new ATOM 0 HB2 SER A 71 14.103 1.579 -17.267 1.00 0.82 H new ATOM 0 HB3 SER A 71 14.943 3.105 -17.464 1.00 0.82 H new ATOM 0 HG SER A 71 16.938 1.904 -16.949 1.00 1.47 H new ATOM 1128 N ASP A 72 15.963 3.768 -13.753 1.00 0.58 N ATOM 1129 CA ASP A 72 16.997 4.619 -13.184 1.00 0.65 C ATOM 1130 C ASP A 72 17.805 3.833 -12.164 1.00 0.56 C ATOM 1131 O ASP A 72 18.924 4.203 -11.810 1.00 0.66 O ATOM 1132 CB ASP A 72 16.373 5.854 -12.527 1.00 0.80 C ATOM 1133 CG ASP A 72 17.415 6.828 -12.012 1.00 0.93 C ATOM 1134 OD1 ASP A 72 18.049 7.515 -12.841 1.00 1.53 O ATOM 1135 OD2 ASP A 72 17.613 6.909 -10.785 1.00 1.56 O ATOM 0 H ASP A 72 15.150 3.633 -13.153 1.00 0.58 H new ATOM 0 HA ASP A 72 17.659 4.952 -13.984 1.00 0.65 H new ATOM 0 HB2 ASP A 72 15.732 6.361 -13.249 1.00 0.80 H new ATOM 0 HB3 ASP A 72 15.735 5.539 -11.701 1.00 0.80 H new ATOM 1140 N GLY A 73 17.233 2.727 -11.717 1.00 0.45 N ATOM 1141 CA GLY A 73 17.910 1.874 -10.766 1.00 0.46 C ATOM 1142 C GLY A 73 17.477 2.155 -9.345 1.00 0.41 C ATOM 1143 O GLY A 73 18.145 1.748 -8.392 1.00 0.44 O ATOM 0 H GLY A 73 16.307 2.404 -11.998 1.00 0.45 H new ATOM 0 HA2 GLY A 73 17.708 0.830 -11.007 1.00 0.46 H new ATOM 0 HA3 GLY A 73 18.987 2.018 -10.852 1.00 0.46 H new ATOM 1147 N GLN A 74 16.360 2.855 -9.205 1.00 0.38 N ATOM 1148 CA GLN A 74 15.827 3.205 -7.904 1.00 0.37 C ATOM 1149 C GLN A 74 14.317 3.031 -7.913 1.00 0.36 C ATOM 1150 O GLN A 74 13.697 2.963 -8.977 1.00 0.39 O ATOM 1151 CB GLN A 74 16.150 4.655 -7.546 1.00 0.38 C ATOM 1152 CG GLN A 74 17.610 5.042 -7.677 1.00 0.42 C ATOM 1153 CD GLN A 74 17.876 6.441 -7.163 1.00 0.50 C ATOM 1154 OE1 GLN A 74 17.209 6.909 -6.248 1.00 1.03 O ATOM 1155 NE2 GLN A 74 18.840 7.122 -7.753 1.00 1.25 N ATOM 0 H GLN A 74 15.802 3.193 -9.989 1.00 0.38 H new ATOM 0 HA GLN A 74 16.285 2.549 -7.163 1.00 0.37 H new ATOM 0 HB2 GLN A 74 15.558 5.311 -8.185 1.00 0.38 H new ATOM 0 HB3 GLN A 74 15.833 4.838 -6.519 1.00 0.38 H new ATOM 0 HG2 GLN A 74 18.224 4.330 -7.125 1.00 0.42 H new ATOM 0 HG3 GLN A 74 17.909 4.977 -8.723 1.00 0.42 H new ATOM 0 HE21 GLN A 74 19.373 6.698 -8.512 1.00 1.25 H new ATOM 0 HE22 GLN A 74 19.052 8.073 -7.450 1.00 1.25 H new ATOM 1164 N LEU A 75 13.729 2.976 -6.734 1.00 0.33 N ATOM 1165 CA LEU A 75 12.289 2.821 -6.610 1.00 0.32 C ATOM 1166 C LEU A 75 11.671 4.036 -5.980 1.00 0.32 C ATOM 1167 O LEU A 75 11.985 4.394 -4.850 1.00 0.32 O ATOM 1168 CB LEU A 75 11.946 1.592 -5.784 1.00 0.31 C ATOM 1169 CG LEU A 75 12.545 0.300 -6.317 1.00 0.33 C ATOM 1170 CD1 LEU A 75 12.055 -0.890 -5.512 1.00 0.35 C ATOM 1171 CD2 LEU A 75 12.208 0.155 -7.792 1.00 0.35 C ATOM 0 H LEU A 75 14.226 3.036 -5.845 1.00 0.33 H new ATOM 0 HA LEU A 75 11.884 2.698 -7.615 1.00 0.32 H new ATOM 0 HB2 LEU A 75 12.292 1.746 -4.762 1.00 0.31 H new ATOM 0 HB3 LEU A 75 10.862 1.487 -5.741 1.00 0.31 H new ATOM 0 HG LEU A 75 13.630 0.334 -6.213 1.00 0.33 H new ATOM 0 HD11 LEU A 75 12.495 -1.804 -5.910 1.00 0.35 H new ATOM 0 HD12 LEU A 75 12.349 -0.770 -4.469 1.00 0.35 H new ATOM 0 HD13 LEU A 75 10.969 -0.952 -5.578 1.00 0.35 H new ATOM 0 HD21 LEU A 75 12.637 -0.771 -8.174 1.00 0.35 H new ATOM 0 HD22 LEU A 75 11.125 0.132 -7.917 1.00 0.35 H new ATOM 0 HD23 LEU A 75 12.619 1.000 -8.344 1.00 0.35 H new ATOM 1183 N ASP A 76 10.778 4.662 -6.705 1.00 0.35 N ATOM 1184 CA ASP A 76 10.193 5.899 -6.244 1.00 0.36 C ATOM 1185 C ASP A 76 8.921 5.632 -5.480 1.00 0.33 C ATOM 1186 O ASP A 76 8.524 4.483 -5.298 1.00 0.32 O ATOM 1187 CB ASP A 76 9.954 6.857 -7.409 1.00 0.44 C ATOM 1188 CG ASP A 76 8.655 6.613 -8.151 1.00 0.91 C ATOM 1189 OD1 ASP A 76 7.607 7.145 -7.726 1.00 1.45 O ATOM 1190 OD2 ASP A 76 8.686 5.913 -9.178 1.00 1.68 O ATOM 0 H ASP A 76 10.441 4.339 -7.612 1.00 0.35 H new ATOM 0 HA ASP A 76 10.896 6.379 -5.564 1.00 0.36 H new ATOM 0 HB2 ASP A 76 9.959 7.880 -7.032 1.00 0.44 H new ATOM 0 HB3 ASP A 76 10.783 6.773 -8.111 1.00 0.44 H new ATOM 1195 N PHE A 77 8.302 6.699 -5.036 1.00 0.41 N ATOM 1196 CA PHE A 77 7.172 6.631 -4.138 1.00 0.49 C ATOM 1197 C PHE A 77 6.064 5.710 -4.637 1.00 0.39 C ATOM 1198 O PHE A 77 5.586 4.861 -3.890 1.00 0.39 O ATOM 1199 CB PHE A 77 6.661 8.043 -3.875 1.00 0.72 C ATOM 1200 CG PHE A 77 6.452 8.899 -5.099 1.00 1.76 C ATOM 1201 CD1 PHE A 77 5.243 8.900 -5.773 1.00 2.66 C ATOM 1202 CD2 PHE A 77 7.469 9.724 -5.561 1.00 2.56 C ATOM 1203 CE1 PHE A 77 5.050 9.698 -6.884 1.00 3.77 C ATOM 1204 CE2 PHE A 77 7.282 10.524 -6.673 1.00 3.67 C ATOM 1205 CZ PHE A 77 6.071 10.512 -7.334 1.00 4.15 C ATOM 0 H PHE A 77 8.571 7.650 -5.290 1.00 0.41 H new ATOM 0 HA PHE A 77 7.509 6.186 -3.202 1.00 0.49 H new ATOM 0 HB2 PHE A 77 5.716 7.974 -3.336 1.00 0.72 H new ATOM 0 HB3 PHE A 77 7.367 8.549 -3.216 1.00 0.72 H new ATOM 0 HD1 PHE A 77 4.439 8.268 -5.425 1.00 2.66 H new ATOM 0 HD2 PHE A 77 8.418 9.741 -5.045 1.00 2.56 H new ATOM 0 HE1 PHE A 77 4.101 9.685 -7.400 1.00 3.77 H new ATOM 0 HE2 PHE A 77 8.083 11.158 -7.024 1.00 3.67 H new ATOM 0 HZ PHE A 77 5.922 11.138 -8.201 1.00 4.15 H new ATOM 1215 N SER A 78 5.677 5.859 -5.887 1.00 0.39 N ATOM 1216 CA SER A 78 4.624 5.040 -6.457 1.00 0.38 C ATOM 1217 C SER A 78 5.100 3.614 -6.661 1.00 0.38 C ATOM 1218 O SER A 78 4.345 2.669 -6.459 1.00 0.44 O ATOM 1219 CB SER A 78 4.151 5.622 -7.790 1.00 0.45 C ATOM 1220 OG SER A 78 5.218 5.748 -8.713 1.00 1.31 O ATOM 0 H SER A 78 6.077 6.542 -6.531 1.00 0.39 H new ATOM 0 HA SER A 78 3.789 5.034 -5.756 1.00 0.38 H new ATOM 0 HB2 SER A 78 3.377 4.981 -8.213 1.00 0.45 H new ATOM 0 HB3 SER A 78 3.699 6.599 -7.621 1.00 0.45 H new ATOM 0 HG SER A 78 5.382 4.883 -9.143 1.00 1.31 H new ATOM 1226 N GLU A 79 6.364 3.458 -7.020 1.00 0.36 N ATOM 1227 CA GLU A 79 6.879 2.152 -7.398 1.00 0.42 C ATOM 1228 C GLU A 79 7.184 1.324 -6.165 1.00 0.33 C ATOM 1229 O GLU A 79 7.052 0.100 -6.171 1.00 0.33 O ATOM 1230 CB GLU A 79 8.107 2.299 -8.284 1.00 0.51 C ATOM 1231 CG GLU A 79 7.827 3.106 -9.540 1.00 0.64 C ATOM 1232 CD GLU A 79 6.533 2.704 -10.223 1.00 1.81 C ATOM 1233 OE1 GLU A 79 6.518 1.680 -10.932 1.00 2.54 O ATOM 1234 OE2 GLU A 79 5.521 3.421 -10.059 1.00 2.57 O ATOM 0 H GLU A 79 7.048 4.214 -7.058 1.00 0.36 H new ATOM 0 HA GLU A 79 6.115 1.628 -7.972 1.00 0.42 H new ATOM 0 HB2 GLU A 79 8.904 2.780 -7.717 1.00 0.51 H new ATOM 0 HB3 GLU A 79 8.468 1.310 -8.565 1.00 0.51 H new ATOM 0 HG2 GLU A 79 7.783 4.165 -9.284 1.00 0.64 H new ATOM 0 HG3 GLU A 79 8.655 2.981 -10.238 1.00 0.64 H new ATOM 1241 N PHE A 80 7.575 2.004 -5.103 1.00 0.28 N ATOM 1242 CA PHE A 80 7.691 1.387 -3.797 1.00 0.25 C ATOM 1243 C PHE A 80 6.324 0.894 -3.347 1.00 0.23 C ATOM 1244 O PHE A 80 6.195 -0.122 -2.674 1.00 0.26 O ATOM 1245 CB PHE A 80 8.225 2.397 -2.787 1.00 0.31 C ATOM 1246 CG PHE A 80 8.160 1.913 -1.373 1.00 0.71 C ATOM 1247 CD1 PHE A 80 9.079 0.997 -0.901 1.00 1.26 C ATOM 1248 CD2 PHE A 80 7.166 2.368 -0.521 1.00 1.60 C ATOM 1249 CE1 PHE A 80 9.009 0.542 0.395 1.00 1.56 C ATOM 1250 CE2 PHE A 80 7.095 1.916 0.779 1.00 1.98 C ATOM 1251 CZ PHE A 80 8.016 1.000 1.236 1.00 1.64 C ATOM 0 H PHE A 80 7.820 2.994 -5.122 1.00 0.28 H new ATOM 0 HA PHE A 80 8.382 0.547 -3.860 1.00 0.25 H new ATOM 0 HB2 PHE A 80 9.259 2.635 -3.035 1.00 0.31 H new ATOM 0 HB3 PHE A 80 7.655 3.322 -2.873 1.00 0.31 H new ATOM 0 HD1 PHE A 80 9.859 0.635 -1.555 1.00 1.26 H new ATOM 0 HD2 PHE A 80 6.440 3.083 -0.879 1.00 1.60 H new ATOM 0 HE1 PHE A 80 9.732 -0.175 0.755 1.00 1.56 H new ATOM 0 HE2 PHE A 80 6.320 2.279 1.437 1.00 1.98 H new ATOM 0 HZ PHE A 80 7.961 0.640 2.253 1.00 1.64 H new ATOM 1261 N LEU A 81 5.306 1.635 -3.727 1.00 0.25 N ATOM 1262 CA LEU A 81 3.946 1.297 -3.373 1.00 0.26 C ATOM 1263 C LEU A 81 3.379 0.259 -4.323 1.00 0.26 C ATOM 1264 O LEU A 81 2.456 -0.467 -3.976 1.00 0.27 O ATOM 1265 CB LEU A 81 3.104 2.552 -3.363 1.00 0.29 C ATOM 1266 CG LEU A 81 3.493 3.545 -2.268 1.00 0.28 C ATOM 1267 CD1 LEU A 81 2.715 4.833 -2.431 1.00 0.34 C ATOM 1268 CD2 LEU A 81 3.283 2.941 -0.876 1.00 0.29 C ATOM 0 H LEU A 81 5.397 2.483 -4.286 1.00 0.25 H new ATOM 0 HA LEU A 81 3.934 0.858 -2.375 1.00 0.26 H new ATOM 0 HB2 LEU A 81 3.188 3.043 -4.333 1.00 0.29 H new ATOM 0 HB3 LEU A 81 2.057 2.276 -3.235 1.00 0.29 H new ATOM 0 HG LEU A 81 4.555 3.771 -2.367 1.00 0.28 H new ATOM 0 HD11 LEU A 81 3.001 5.532 -1.645 1.00 0.34 H new ATOM 0 HD12 LEU A 81 2.936 5.271 -3.404 1.00 0.34 H new ATOM 0 HD13 LEU A 81 1.647 4.625 -2.361 1.00 0.34 H new ATOM 0 HD21 LEU A 81 3.568 3.669 -0.117 1.00 0.29 H new ATOM 0 HD22 LEU A 81 2.233 2.676 -0.749 1.00 0.29 H new ATOM 0 HD23 LEU A 81 3.898 2.047 -0.771 1.00 0.29 H new ATOM 1280 N ASN A 82 3.927 0.202 -5.525 1.00 0.26 N ATOM 1281 CA ASN A 82 3.646 -0.897 -6.428 1.00 0.26 C ATOM 1282 C ASN A 82 4.199 -2.169 -5.823 1.00 0.23 C ATOM 1283 O ASN A 82 3.591 -3.234 -5.882 1.00 0.25 O ATOM 1284 CB ASN A 82 4.287 -0.658 -7.795 1.00 0.30 C ATOM 1285 CG ASN A 82 3.451 0.232 -8.704 1.00 0.79 C ATOM 1286 OD1 ASN A 82 3.466 0.077 -9.926 1.00 1.51 O ATOM 1287 ND2 ASN A 82 2.715 1.166 -8.125 1.00 1.42 N ATOM 0 H ASN A 82 4.568 0.903 -5.896 1.00 0.26 H new ATOM 0 HA ASN A 82 2.568 -0.978 -6.569 1.00 0.26 H new ATOM 0 HB2 ASN A 82 5.268 -0.203 -7.654 1.00 0.30 H new ATOM 0 HB3 ASN A 82 4.448 -1.618 -8.286 1.00 0.30 H new ATOM 0 HD21 ASN A 82 2.137 1.785 -8.693 1.00 1.42 H new ATOM 0 HD22 ASN A 82 2.726 1.267 -7.110 1.00 1.42 H new ATOM 1294 N LEU A 83 5.380 -2.025 -5.248 1.00 0.23 N ATOM 1295 CA LEU A 83 5.998 -3.064 -4.454 1.00 0.24 C ATOM 1296 C LEU A 83 5.080 -3.494 -3.325 1.00 0.23 C ATOM 1297 O LEU A 83 4.728 -4.667 -3.214 1.00 0.25 O ATOM 1298 CB LEU A 83 7.293 -2.533 -3.870 1.00 0.27 C ATOM 1299 CG LEU A 83 7.793 -3.294 -2.653 1.00 0.31 C ATOM 1300 CD1 LEU A 83 8.306 -4.667 -3.052 1.00 0.35 C ATOM 1301 CD2 LEU A 83 8.854 -2.496 -1.916 1.00 0.36 C ATOM 0 H LEU A 83 5.939 -1.175 -5.322 1.00 0.23 H new ATOM 0 HA LEU A 83 6.194 -3.926 -5.091 1.00 0.24 H new ATOM 0 HB2 LEU A 83 8.063 -2.560 -4.641 1.00 0.27 H new ATOM 0 HB3 LEU A 83 7.152 -1.487 -3.597 1.00 0.27 H new ATOM 0 HG LEU A 83 6.956 -3.439 -1.969 1.00 0.31 H new ATOM 0 HD11 LEU A 83 8.659 -5.195 -2.166 1.00 0.35 H new ATOM 0 HD12 LEU A 83 7.500 -5.236 -3.516 1.00 0.35 H new ATOM 0 HD13 LEU A 83 9.127 -4.557 -3.760 1.00 0.35 H new ATOM 0 HD21 LEU A 83 9.197 -3.060 -1.049 1.00 0.36 H new ATOM 0 HD22 LEU A 83 9.696 -2.308 -2.582 1.00 0.36 H new ATOM 0 HD23 LEU A 83 8.432 -1.546 -1.587 1.00 0.36 H new ATOM 1313 N ILE A 84 4.718 -2.531 -2.485 1.00 0.24 N ATOM 1314 CA ILE A 84 3.783 -2.756 -1.394 1.00 0.26 C ATOM 1315 C ILE A 84 2.523 -3.437 -1.914 1.00 0.27 C ATOM 1316 O ILE A 84 1.963 -4.320 -1.264 1.00 0.29 O ATOM 1317 CB ILE A 84 3.428 -1.420 -0.704 1.00 0.29 C ATOM 1318 CG1 ILE A 84 4.653 -0.843 0.016 1.00 0.55 C ATOM 1319 CG2 ILE A 84 2.264 -1.589 0.266 1.00 0.47 C ATOM 1320 CD1 ILE A 84 5.223 -1.744 1.089 1.00 0.62 C ATOM 0 H ILE A 84 5.065 -1.574 -2.543 1.00 0.24 H new ATOM 0 HA ILE A 84 4.255 -3.408 -0.659 1.00 0.26 H new ATOM 0 HB ILE A 84 3.117 -0.717 -1.477 1.00 0.29 H new ATOM 0 HG12 ILE A 84 5.430 -0.637 -0.720 1.00 0.55 H new ATOM 0 HG13 ILE A 84 4.380 0.111 0.466 1.00 0.55 H new ATOM 0 HG21 ILE A 84 2.039 -0.631 0.735 1.00 0.47 H new ATOM 0 HG22 ILE A 84 1.387 -1.942 -0.276 1.00 0.47 H new ATOM 0 HG23 ILE A 84 2.533 -2.315 1.034 1.00 0.47 H new ATOM 0 HD11 ILE A 84 6.086 -1.262 1.548 1.00 0.62 H new ATOM 0 HD12 ILE A 84 4.464 -1.930 1.849 1.00 0.62 H new ATOM 0 HD13 ILE A 84 5.530 -2.690 0.644 1.00 0.62 H new ATOM 1332 N GLY A 85 2.114 -3.040 -3.110 1.00 0.26 N ATOM 1333 CA GLY A 85 1.000 -3.671 -3.772 1.00 0.29 C ATOM 1334 C GLY A 85 1.254 -5.138 -4.045 1.00 0.29 C ATOM 1335 O GLY A 85 0.438 -5.976 -3.690 1.00 0.33 O ATOM 0 H GLY A 85 2.544 -2.280 -3.637 1.00 0.26 H new ATOM 0 HA2 GLY A 85 0.107 -3.567 -3.156 1.00 0.29 H new ATOM 0 HA3 GLY A 85 0.800 -3.157 -4.712 1.00 0.29 H new ATOM 1339 N GLY A 86 2.412 -5.454 -4.620 1.00 0.28 N ATOM 1340 CA GLY A 86 2.699 -6.824 -5.011 1.00 0.31 C ATOM 1341 C GLY A 86 2.891 -7.702 -3.804 1.00 0.29 C ATOM 1342 O GLY A 86 2.548 -8.886 -3.805 1.00 0.35 O ATOM 0 H GLY A 86 3.156 -4.786 -4.822 1.00 0.28 H new ATOM 0 HA2 GLY A 86 1.882 -7.211 -5.620 1.00 0.31 H new ATOM 0 HA3 GLY A 86 3.596 -6.849 -5.629 1.00 0.31 H new ATOM 1346 N LEU A 87 3.427 -7.094 -2.771 1.00 0.25 N ATOM 1347 CA LEU A 87 3.606 -7.733 -1.487 1.00 0.25 C ATOM 1348 C LEU A 87 2.252 -8.052 -0.875 1.00 0.26 C ATOM 1349 O LEU A 87 1.952 -9.201 -0.542 1.00 0.29 O ATOM 1350 CB LEU A 87 4.361 -6.784 -0.570 1.00 0.25 C ATOM 1351 CG LEU A 87 5.805 -6.486 -0.959 1.00 0.26 C ATOM 1352 CD1 LEU A 87 6.333 -5.338 -0.127 1.00 0.26 C ATOM 1353 CD2 LEU A 87 6.679 -7.713 -0.777 1.00 0.35 C ATOM 0 H LEU A 87 3.755 -6.129 -2.799 1.00 0.25 H new ATOM 0 HA LEU A 87 4.166 -8.659 -1.614 1.00 0.25 H new ATOM 0 HB2 LEU A 87 3.815 -5.841 -0.527 1.00 0.25 H new ATOM 0 HB3 LEU A 87 4.356 -7.202 0.437 1.00 0.25 H new ATOM 0 HG LEU A 87 5.830 -6.207 -2.012 1.00 0.26 H new ATOM 0 HD11 LEU A 87 7.365 -5.129 -0.409 1.00 0.26 H new ATOM 0 HD12 LEU A 87 5.723 -4.452 -0.301 1.00 0.26 H new ATOM 0 HD13 LEU A 87 6.292 -5.605 0.929 1.00 0.26 H new ATOM 0 HD21 LEU A 87 7.704 -7.475 -1.061 1.00 0.35 H new ATOM 0 HD22 LEU A 87 6.655 -8.025 0.267 1.00 0.35 H new ATOM 0 HD23 LEU A 87 6.307 -8.521 -1.406 1.00 0.35 H new ATOM 1365 N ALA A 88 1.429 -7.018 -0.754 1.00 0.25 N ATOM 1366 CA ALA A 88 0.110 -7.147 -0.167 1.00 0.27 C ATOM 1367 C ALA A 88 -0.750 -8.106 -0.953 1.00 0.30 C ATOM 1368 O ALA A 88 -1.607 -8.787 -0.399 1.00 0.35 O ATOM 1369 CB ALA A 88 -0.591 -5.811 -0.125 1.00 0.27 C ATOM 0 H ALA A 88 1.660 -6.073 -1.060 1.00 0.25 H new ATOM 0 HA ALA A 88 0.250 -7.528 0.844 1.00 0.27 H new ATOM 0 HB1 ALA A 88 -1.579 -5.932 0.319 1.00 0.27 H new ATOM 0 HB2 ALA A 88 -0.007 -5.112 0.474 1.00 0.27 H new ATOM 0 HB3 ALA A 88 -0.694 -5.422 -1.138 1.00 0.27 H new ATOM 1375 N MET A 89 -0.548 -8.118 -2.254 1.00 0.29 N ATOM 1376 CA MET A 89 -1.323 -8.966 -3.129 1.00 0.33 C ATOM 1377 C MET A 89 -1.059 -10.426 -2.830 1.00 0.34 C ATOM 1378 O MET A 89 -1.965 -11.251 -2.900 1.00 0.39 O ATOM 1379 CB MET A 89 -1.020 -8.661 -4.588 1.00 0.35 C ATOM 1380 CG MET A 89 -1.646 -7.366 -5.069 1.00 0.42 C ATOM 1381 SD MET A 89 -1.682 -7.246 -6.867 1.00 1.03 S ATOM 1382 CE MET A 89 0.065 -7.196 -7.256 1.00 1.89 C ATOM 0 H MET A 89 0.151 -7.546 -2.729 1.00 0.29 H new ATOM 0 HA MET A 89 -2.378 -8.761 -2.948 1.00 0.33 H new ATOM 0 HB2 MET A 89 0.060 -8.608 -4.725 1.00 0.35 H new ATOM 0 HB3 MET A 89 -1.380 -9.483 -5.207 1.00 0.35 H new ATOM 0 HG2 MET A 89 -2.662 -7.291 -4.682 1.00 0.42 H new ATOM 0 HG3 MET A 89 -1.088 -6.523 -4.662 1.00 0.42 H new ATOM 0 HE1 MET A 89 0.195 -7.050 -8.328 1.00 1.89 H new ATOM 0 HE2 MET A 89 0.534 -6.372 -6.718 1.00 1.89 H new ATOM 0 HE3 MET A 89 0.531 -8.135 -6.958 1.00 1.89 H new ATOM 1392 N ALA A 90 0.177 -10.733 -2.469 1.00 0.34 N ATOM 1393 CA ALA A 90 0.545 -12.088 -2.108 1.00 0.40 C ATOM 1394 C ALA A 90 -0.143 -12.491 -0.811 1.00 0.42 C ATOM 1395 O ALA A 90 -0.652 -13.600 -0.686 1.00 0.49 O ATOM 1396 CB ALA A 90 2.055 -12.204 -1.984 1.00 0.46 C ATOM 0 H ALA A 90 0.941 -10.059 -2.419 1.00 0.34 H new ATOM 0 HA ALA A 90 0.215 -12.769 -2.893 1.00 0.40 H new ATOM 0 HB1 ALA A 90 2.320 -13.226 -1.713 1.00 0.46 H new ATOM 0 HB2 ALA A 90 2.519 -11.950 -2.937 1.00 0.46 H new ATOM 0 HB3 ALA A 90 2.410 -11.520 -1.213 1.00 0.46 H new ATOM 1402 N CYS A 91 -0.176 -11.567 0.144 1.00 0.41 N ATOM 1403 CA CYS A 91 -0.848 -11.793 1.418 1.00 0.47 C ATOM 1404 C CYS A 91 -2.354 -11.936 1.205 1.00 0.45 C ATOM 1405 O CYS A 91 -2.987 -12.826 1.771 1.00 0.51 O ATOM 1406 CB CYS A 91 -0.544 -10.648 2.385 1.00 0.55 C ATOM 1407 SG CYS A 91 -1.303 -10.823 4.016 1.00 1.76 S ATOM 0 H CYS A 91 0.258 -10.648 0.058 1.00 0.41 H new ATOM 0 HA CYS A 91 -0.475 -12.720 1.854 1.00 0.47 H new ATOM 0 HB2 CYS A 91 0.536 -10.570 2.507 1.00 0.55 H new ATOM 0 HB3 CYS A 91 -0.883 -9.713 1.939 1.00 0.55 H new ATOM 0 HG CYS A 91 -2.148 -11.811 3.998 1.00 1.76 H new ATOM 1413 N HIS A 92 -2.919 -11.065 0.372 1.00 0.41 N ATOM 1414 CA HIS A 92 -4.319 -11.179 -0.021 1.00 0.46 C ATOM 1415 C HIS A 92 -4.577 -12.559 -0.610 1.00 0.45 C ATOM 1416 O HIS A 92 -5.391 -13.318 -0.100 1.00 0.49 O ATOM 1417 CB HIS A 92 -4.702 -10.112 -1.059 1.00 0.54 C ATOM 1418 CG HIS A 92 -5.026 -8.761 -0.490 1.00 1.21 C ATOM 1419 ND1 HIS A 92 -4.267 -7.635 -0.738 1.00 2.13 N ATOM 1420 CD2 HIS A 92 -6.062 -8.348 0.280 1.00 1.96 C ATOM 1421 CE1 HIS A 92 -4.821 -6.592 -0.147 1.00 2.74 C ATOM 1422 NE2 HIS A 92 -5.910 -6.996 0.477 1.00 2.62 N ATOM 0 H HIS A 92 -2.428 -10.273 -0.043 1.00 0.41 H new ATOM 0 HA HIS A 92 -4.928 -11.028 0.871 1.00 0.46 H new ATOM 0 HB2 HIS A 92 -3.880 -10.004 -1.767 1.00 0.54 H new ATOM 0 HB3 HIS A 92 -5.564 -10.468 -1.623 1.00 0.54 H new ATOM 0 HD1 HIS A 92 -3.411 -7.612 -1.292 1.00 2.13 H new ATOM 0 HD2 HIS A 92 -6.859 -8.966 0.667 1.00 1.96 H new ATOM 0 HE1 HIS A 92 -4.446 -5.580 -0.171 1.00 2.74 H new ATOM 1431 N ASP A 93 -3.838 -12.879 -1.661 1.00 0.45 N ATOM 1432 CA ASP A 93 -3.993 -14.136 -2.386 1.00 0.52 C ATOM 1433 C ASP A 93 -3.786 -15.339 -1.468 1.00 0.56 C ATOM 1434 O ASP A 93 -4.369 -16.404 -1.677 1.00 0.65 O ATOM 1435 CB ASP A 93 -2.995 -14.172 -3.536 1.00 0.54 C ATOM 1436 CG ASP A 93 -3.168 -15.371 -4.445 1.00 0.93 C ATOM 1437 OD1 ASP A 93 -4.092 -15.363 -5.283 1.00 1.75 O ATOM 1438 OD2 ASP A 93 -2.374 -16.326 -4.333 1.00 1.48 O ATOM 0 H ASP A 93 -3.110 -12.273 -2.039 1.00 0.45 H new ATOM 0 HA ASP A 93 -5.010 -14.193 -2.775 1.00 0.52 H new ATOM 0 HB2 ASP A 93 -3.098 -13.261 -4.125 1.00 0.54 H new ATOM 0 HB3 ASP A 93 -1.984 -14.176 -3.130 1.00 0.54 H new ATOM 1443 N SER A 94 -2.958 -15.161 -0.448 1.00 0.54 N ATOM 1444 CA SER A 94 -2.760 -16.185 0.567 1.00 0.60 C ATOM 1445 C SER A 94 -4.082 -16.499 1.252 1.00 0.63 C ATOM 1446 O SER A 94 -4.491 -17.654 1.349 1.00 0.70 O ATOM 1447 CB SER A 94 -1.738 -15.711 1.602 1.00 0.65 C ATOM 1448 OG SER A 94 -0.451 -15.566 1.022 1.00 1.27 O ATOM 0 H SER A 94 -2.411 -14.313 -0.302 1.00 0.54 H new ATOM 0 HA SER A 94 -2.383 -17.088 0.087 1.00 0.60 H new ATOM 0 HB2 SER A 94 -2.059 -14.759 2.024 1.00 0.65 H new ATOM 0 HB3 SER A 94 -1.691 -16.425 2.424 1.00 0.65 H new ATOM 0 HG SER A 94 -0.497 -14.928 0.280 1.00 1.27 H new ATOM 1454 N PHE A 95 -4.766 -15.447 1.673 1.00 0.60 N ATOM 1455 CA PHE A 95 -6.036 -15.577 2.365 1.00 0.66 C ATOM 1456 C PHE A 95 -7.135 -16.019 1.413 1.00 0.72 C ATOM 1457 O PHE A 95 -8.055 -16.726 1.802 1.00 0.84 O ATOM 1458 CB PHE A 95 -6.417 -14.251 3.011 1.00 0.64 C ATOM 1459 CG PHE A 95 -5.679 -13.975 4.290 1.00 0.78 C ATOM 1460 CD1 PHE A 95 -5.988 -14.679 5.442 1.00 1.30 C ATOM 1461 CD2 PHE A 95 -4.682 -13.014 4.345 1.00 1.80 C ATOM 1462 CE1 PHE A 95 -5.317 -14.432 6.623 1.00 1.76 C ATOM 1463 CE2 PHE A 95 -4.006 -12.763 5.523 1.00 2.35 C ATOM 1464 CZ PHE A 95 -4.324 -13.474 6.664 1.00 2.08 C ATOM 0 H PHE A 95 -4.457 -14.483 1.545 1.00 0.60 H new ATOM 0 HA PHE A 95 -5.924 -16.338 3.137 1.00 0.66 H new ATOM 0 HB2 PHE A 95 -6.222 -13.443 2.306 1.00 0.64 H new ATOM 0 HB3 PHE A 95 -7.489 -14.248 3.211 1.00 0.64 H new ATOM 0 HD1 PHE A 95 -6.763 -15.430 5.416 1.00 1.30 H new ATOM 0 HD2 PHE A 95 -4.431 -12.455 3.456 1.00 1.80 H new ATOM 0 HE1 PHE A 95 -5.569 -14.988 7.514 1.00 1.76 H new ATOM 0 HE2 PHE A 95 -3.230 -12.012 5.552 1.00 2.35 H new ATOM 0 HZ PHE A 95 -3.797 -13.281 7.586 1.00 2.08 H new ATOM 1737 N PRO B 7 6.318 -8.728 12.428 1.00 0.70 N ATOM 1738 CA PRO B 7 6.461 -8.075 11.126 1.00 0.54 C ATOM 1739 C PRO B 7 7.015 -6.665 11.271 1.00 0.45 C ATOM 1740 O PRO B 7 7.115 -6.138 12.380 1.00 0.57 O ATOM 1741 CB PRO B 7 5.024 -8.029 10.612 1.00 0.62 C ATOM 1742 CG PRO B 7 4.217 -7.900 11.849 1.00 0.75 C ATOM 1743 CD PRO B 7 4.909 -8.764 12.868 1.00 0.82 C ATOM 0 HA PRO B 7 7.151 -8.597 10.463 1.00 0.54 H new ATOM 0 HB2 PRO B 7 4.865 -7.186 9.940 1.00 0.62 H new ATOM 0 HB3 PRO B 7 4.767 -8.932 10.058 1.00 0.62 H new ATOM 0 HG2 PRO B 7 4.169 -6.863 12.181 1.00 0.75 H new ATOM 0 HG3 PRO B 7 3.191 -8.230 11.685 1.00 0.75 H new ATOM 0 HD2 PRO B 7 4.791 -8.371 13.878 1.00 0.82 H new ATOM 0 HD3 PRO B 7 4.513 -9.779 12.873 1.00 0.82 H new ATOM 1751 N THR B 8 7.368 -6.056 10.156 1.00 0.34 N ATOM 1752 CA THR B 8 7.872 -4.697 10.168 1.00 0.27 C ATOM 1753 C THR B 8 6.724 -3.726 10.014 1.00 0.28 C ATOM 1754 O THR B 8 5.562 -4.129 10.059 1.00 0.34 O ATOM 1755 CB THR B 8 8.860 -4.465 9.028 1.00 0.29 C ATOM 1756 OG1 THR B 8 8.150 -4.412 7.789 1.00 0.37 O ATOM 1757 CG2 THR B 8 9.890 -5.576 8.998 1.00 0.33 C ATOM 0 H THR B 8 7.315 -6.481 9.230 1.00 0.34 H new ATOM 0 HA THR B 8 8.382 -4.538 11.118 1.00 0.27 H new ATOM 0 HB THR B 8 9.378 -3.519 9.184 1.00 0.29 H new ATOM 0 HG1 THR B 8 8.754 -4.652 7.055 1.00 0.37 H new ATOM 0 HG21 THR B 8 10.590 -5.401 8.181 1.00 0.33 H new ATOM 0 HG22 THR B 8 10.433 -5.595 9.943 1.00 0.33 H new ATOM 0 HG23 THR B 8 9.389 -6.532 8.848 1.00 0.33 H new ATOM 1765 N GLU B 9 7.037 -2.461 9.810 1.00 0.28 N ATOM 1766 CA GLU B 9 6.004 -1.464 9.621 1.00 0.33 C ATOM 1767 C GLU B 9 5.238 -1.726 8.325 1.00 0.36 C ATOM 1768 O GLU B 9 4.019 -1.735 8.317 1.00 0.52 O ATOM 1769 CB GLU B 9 6.587 -0.054 9.609 1.00 0.40 C ATOM 1770 CG GLU B 9 5.513 1.010 9.699 1.00 0.56 C ATOM 1771 CD GLU B 9 4.786 0.980 11.027 1.00 1.73 C ATOM 1772 OE1 GLU B 9 5.254 1.635 11.981 1.00 2.48 O ATOM 1773 OE2 GLU B 9 3.745 0.302 11.127 1.00 2.47 O ATOM 0 H GLU B 9 7.991 -2.102 9.771 1.00 0.28 H new ATOM 0 HA GLU B 9 5.315 -1.538 10.462 1.00 0.33 H new ATOM 0 HB2 GLU B 9 7.278 0.059 10.444 1.00 0.40 H new ATOM 0 HB3 GLU B 9 7.164 0.091 8.696 1.00 0.40 H new ATOM 0 HG2 GLU B 9 5.964 1.992 9.556 1.00 0.56 H new ATOM 0 HG3 GLU B 9 4.795 0.868 8.891 1.00 0.56 H new ATOM 1780 N THR B 10 5.959 -1.987 7.245 1.00 0.26 N ATOM 1781 CA THR B 10 5.335 -2.203 5.945 1.00 0.27 C ATOM 1782 C THR B 10 4.583 -3.515 5.942 1.00 0.27 C ATOM 1783 O THR B 10 3.478 -3.596 5.428 1.00 0.31 O ATOM 1784 CB THR B 10 6.362 -2.168 4.777 1.00 0.27 C ATOM 1785 OG1 THR B 10 6.080 -3.200 3.828 1.00 0.40 O ATOM 1786 CG2 THR B 10 7.793 -2.315 5.272 1.00 0.26 C ATOM 0 H THR B 10 6.977 -2.055 7.241 1.00 0.26 H new ATOM 0 HA THR B 10 4.638 -1.381 5.781 1.00 0.27 H new ATOM 0 HB THR B 10 6.265 -1.193 4.299 1.00 0.27 H new ATOM 0 HG1 THR B 10 5.173 -3.082 3.476 1.00 0.40 H new ATOM 0 HG21 THR B 10 8.476 -2.285 4.423 1.00 0.26 H new ATOM 0 HG22 THR B 10 8.027 -1.499 5.955 1.00 0.26 H new ATOM 0 HG23 THR B 10 7.902 -3.267 5.792 1.00 0.26 H new ATOM 1794 N GLU B 11 5.162 -4.522 6.572 1.00 0.24 N ATOM 1795 CA GLU B 11 4.570 -5.846 6.584 1.00 0.27 C ATOM 1796 C GLU B 11 3.242 -5.844 7.313 1.00 0.30 C ATOM 1797 O GLU B 11 2.246 -6.365 6.815 1.00 0.32 O ATOM 1798 CB GLU B 11 5.526 -6.833 7.224 1.00 0.29 C ATOM 1799 CG GLU B 11 6.890 -6.793 6.586 1.00 0.41 C ATOM 1800 CD GLU B 11 7.838 -7.837 7.141 1.00 1.11 C ATOM 1801 OE1 GLU B 11 7.735 -8.150 8.344 1.00 1.85 O ATOM 1802 OE2 GLU B 11 8.710 -8.321 6.389 1.00 1.71 O ATOM 0 H GLU B 11 6.042 -4.447 7.082 1.00 0.24 H new ATOM 0 HA GLU B 11 4.383 -6.149 5.554 1.00 0.27 H new ATOM 0 HB2 GLU B 11 5.617 -6.612 8.288 1.00 0.29 H new ATOM 0 HB3 GLU B 11 5.117 -7.840 7.141 1.00 0.29 H new ATOM 0 HG2 GLU B 11 6.786 -6.940 5.511 1.00 0.41 H new ATOM 0 HG3 GLU B 11 7.323 -5.804 6.731 1.00 0.41 H new ATOM 1809 N ARG B 12 3.229 -5.235 8.484 1.00 0.35 N ATOM 1810 CA ARG B 12 2.007 -5.130 9.266 1.00 0.42 C ATOM 1811 C ARG B 12 1.008 -4.254 8.531 1.00 0.43 C ATOM 1812 O ARG B 12 -0.195 -4.497 8.560 1.00 0.47 O ATOM 1813 CB ARG B 12 2.289 -4.571 10.672 1.00 0.48 C ATOM 1814 CG ARG B 12 2.872 -3.166 10.703 1.00 0.49 C ATOM 1815 CD ARG B 12 1.792 -2.107 10.568 1.00 0.56 C ATOM 1816 NE ARG B 12 0.865 -2.133 11.695 1.00 1.08 N ATOM 1817 CZ ARG B 12 1.086 -1.516 12.855 1.00 1.34 C ATOM 1818 NH1 ARG B 12 2.153 -0.739 13.009 1.00 1.86 N ATOM 1819 NH2 ARG B 12 0.220 -1.652 13.850 1.00 1.95 N ATOM 0 H ARG B 12 4.048 -4.806 8.916 1.00 0.35 H new ATOM 0 HA ARG B 12 1.587 -6.128 9.390 1.00 0.42 H new ATOM 0 HB2 ARG B 12 1.359 -4.574 11.241 1.00 0.48 H new ATOM 0 HB3 ARG B 12 2.977 -5.245 11.183 1.00 0.48 H new ATOM 0 HG2 ARG B 12 3.413 -3.017 11.637 1.00 0.49 H new ATOM 0 HG3 ARG B 12 3.595 -3.054 9.895 1.00 0.49 H new ATOM 0 HD2 ARG B 12 2.255 -1.122 10.500 1.00 0.56 H new ATOM 0 HD3 ARG B 12 1.242 -2.265 9.641 1.00 0.56 H new ATOM 0 HE ARG B 12 -0.005 -2.655 11.588 1.00 1.08 H new ATOM 0 HH11 ARG B 12 2.808 -0.613 12.237 1.00 1.86 H new ATOM 0 HH12 ARG B 12 2.317 -0.269 13.899 1.00 1.86 H new ATOM 0 HH21 ARG B 12 -0.613 -2.228 13.726 1.00 1.95 H new ATOM 0 HH22 ARG B 12 0.387 -1.181 14.739 1.00 1.95 H new ATOM 1833 N CYS B 13 1.534 -3.248 7.850 1.00 0.42 N ATOM 1834 CA CYS B 13 0.715 -2.281 7.144 1.00 0.44 C ATOM 1835 C CYS B 13 0.071 -2.947 5.948 1.00 0.30 C ATOM 1836 O CYS B 13 -1.093 -2.706 5.627 1.00 0.29 O ATOM 1837 CB CYS B 13 1.579 -1.087 6.735 1.00 0.57 C ATOM 1838 SG CYS B 13 1.866 0.103 8.065 1.00 2.16 S ATOM 0 H CYS B 13 2.537 -3.081 7.772 1.00 0.42 H new ATOM 0 HA CYS B 13 -0.081 -1.912 7.790 1.00 0.44 H new ATOM 0 HB2 CYS B 13 2.541 -1.454 6.376 1.00 0.57 H new ATOM 0 HB3 CYS B 13 1.101 -0.575 5.900 1.00 0.57 H new ATOM 0 HG CYS B 13 2.926 -0.241 8.734 1.00 2.16 H new ATOM 1844 N ILE B 14 0.836 -3.820 5.326 1.00 0.26 N ATOM 1845 CA ILE B 14 0.357 -4.650 4.247 1.00 0.24 C ATOM 1846 C ILE B 14 -0.826 -5.505 4.698 1.00 0.21 C ATOM 1847 O ILE B 14 -1.872 -5.521 4.050 1.00 0.23 O ATOM 1848 CB ILE B 14 1.492 -5.557 3.740 1.00 0.24 C ATOM 1849 CG1 ILE B 14 2.465 -4.772 2.861 1.00 0.25 C ATOM 1850 CG2 ILE B 14 0.939 -6.756 2.995 1.00 0.27 C ATOM 1851 CD1 ILE B 14 3.706 -5.557 2.526 1.00 0.27 C ATOM 0 H ILE B 14 1.817 -3.973 5.560 1.00 0.26 H new ATOM 0 HA ILE B 14 0.023 -4.000 3.439 1.00 0.24 H new ATOM 0 HB ILE B 14 2.040 -5.924 4.608 1.00 0.24 H new ATOM 0 HG12 ILE B 14 1.963 -4.483 1.938 1.00 0.25 H new ATOM 0 HG13 ILE B 14 2.749 -3.852 3.372 1.00 0.25 H new ATOM 0 HG21 ILE B 14 1.762 -7.380 2.648 1.00 0.27 H new ATOM 0 HG22 ILE B 14 0.300 -7.336 3.662 1.00 0.27 H new ATOM 0 HG23 ILE B 14 0.356 -6.415 2.139 1.00 0.27 H new ATOM 0 HD11 ILE B 14 4.362 -4.952 1.900 1.00 0.27 H new ATOM 0 HD12 ILE B 14 4.227 -5.824 3.445 1.00 0.27 H new ATOM 0 HD13 ILE B 14 3.429 -6.465 1.990 1.00 0.27 H new ATOM 1863 N GLU B 15 -0.669 -6.174 5.834 1.00 0.24 N ATOM 1864 CA GLU B 15 -1.677 -7.102 6.323 1.00 0.28 C ATOM 1865 C GLU B 15 -2.887 -6.336 6.783 1.00 0.30 C ATOM 1866 O GLU B 15 -3.999 -6.859 6.843 1.00 0.34 O ATOM 1867 CB GLU B 15 -1.140 -7.908 7.491 1.00 0.32 C ATOM 1868 CG GLU B 15 0.151 -8.645 7.180 1.00 0.32 C ATOM 1869 CD GLU B 15 0.612 -9.520 8.326 1.00 0.38 C ATOM 1870 OE1 GLU B 15 0.952 -8.983 9.401 1.00 1.06 O ATOM 1871 OE2 GLU B 15 0.621 -10.761 8.161 1.00 1.25 O ATOM 0 H GLU B 15 0.151 -6.089 6.435 1.00 0.24 H new ATOM 0 HA GLU B 15 -1.943 -7.778 5.511 1.00 0.28 H new ATOM 0 HB2 GLU B 15 -0.973 -7.240 8.336 1.00 0.32 H new ATOM 0 HB3 GLU B 15 -1.895 -8.630 7.801 1.00 0.32 H new ATOM 0 HG2 GLU B 15 0.009 -9.261 6.292 1.00 0.32 H new ATOM 0 HG3 GLU B 15 0.931 -7.921 6.944 1.00 0.32 H new ATOM 1878 N SER B 16 -2.655 -5.093 7.123 1.00 0.31 N ATOM 1879 CA SER B 16 -3.715 -4.241 7.557 1.00 0.37 C ATOM 1880 C SER B 16 -4.536 -3.775 6.363 1.00 0.28 C ATOM 1881 O SER B 16 -5.737 -3.557 6.476 1.00 0.28 O ATOM 1882 CB SER B 16 -3.148 -3.077 8.351 1.00 0.54 C ATOM 1883 OG SER B 16 -2.435 -3.549 9.482 1.00 0.97 O ATOM 0 H SER B 16 -1.734 -4.654 7.105 1.00 0.31 H new ATOM 0 HA SER B 16 -4.385 -4.794 8.215 1.00 0.37 H new ATOM 0 HB2 SER B 16 -2.487 -2.485 7.718 1.00 0.54 H new ATOM 0 HB3 SER B 16 -3.956 -2.419 8.671 1.00 0.54 H new ATOM 0 HG SER B 16 -1.544 -3.849 9.205 1.00 0.97 H new ATOM 1889 N LEU B 17 -3.892 -3.660 5.206 1.00 0.27 N ATOM 1890 CA LEU B 17 -4.614 -3.415 3.966 1.00 0.28 C ATOM 1891 C LEU B 17 -5.439 -4.645 3.632 1.00 0.27 C ATOM 1892 O LEU B 17 -6.522 -4.546 3.072 1.00 0.32 O ATOM 1893 CB LEU B 17 -3.655 -3.113 2.822 1.00 0.29 C ATOM 1894 CG LEU B 17 -2.622 -2.036 3.126 1.00 0.33 C ATOM 1895 CD1 LEU B 17 -1.594 -1.951 2.009 1.00 0.33 C ATOM 1896 CD2 LEU B 17 -3.294 -0.687 3.345 1.00 0.46 C ATOM 0 H LEU B 17 -2.880 -3.732 5.103 1.00 0.27 H new ATOM 0 HA LEU B 17 -5.261 -2.548 4.099 1.00 0.28 H new ATOM 0 HB2 LEU B 17 -3.134 -4.031 2.551 1.00 0.29 H new ATOM 0 HB3 LEU B 17 -4.235 -2.806 1.951 1.00 0.29 H new ATOM 0 HG LEU B 17 -2.106 -2.309 4.046 1.00 0.33 H new ATOM 0 HD11 LEU B 17 -0.864 -1.176 2.244 1.00 0.33 H new ATOM 0 HD12 LEU B 17 -1.085 -2.910 1.909 1.00 0.33 H new ATOM 0 HD13 LEU B 17 -2.094 -1.706 1.072 1.00 0.33 H new ATOM 0 HD21 LEU B 17 -2.536 0.066 3.561 1.00 0.46 H new ATOM 0 HD22 LEU B 17 -3.842 -0.403 2.447 1.00 0.46 H new ATOM 0 HD23 LEU B 17 -3.985 -0.757 4.185 1.00 0.46 H new ATOM 1908 N ILE B 18 -4.900 -5.809 3.979 1.00 0.27 N ATOM 1909 CA ILE B 18 -5.641 -7.054 3.892 1.00 0.30 C ATOM 1910 C ILE B 18 -6.874 -6.966 4.783 1.00 0.28 C ATOM 1911 O ILE B 18 -7.977 -7.280 4.355 1.00 0.30 O ATOM 1912 CB ILE B 18 -4.760 -8.282 4.280 1.00 0.36 C ATOM 1913 CG1 ILE B 18 -3.986 -8.807 3.067 1.00 0.62 C ATOM 1914 CG2 ILE B 18 -5.593 -9.401 4.884 1.00 0.47 C ATOM 1915 CD1 ILE B 18 -2.950 -7.852 2.526 1.00 1.37 C ATOM 0 H ILE B 18 -3.946 -5.912 4.325 1.00 0.27 H new ATOM 0 HA ILE B 18 -5.949 -7.203 2.857 1.00 0.30 H new ATOM 0 HB ILE B 18 -4.049 -7.940 5.033 1.00 0.36 H new ATOM 0 HG12 ILE B 18 -3.494 -9.740 3.342 1.00 0.62 H new ATOM 0 HG13 ILE B 18 -4.695 -9.042 2.273 1.00 0.62 H new ATOM 0 HG21 ILE B 18 -4.945 -10.239 5.141 1.00 0.47 H new ATOM 0 HG22 ILE B 18 -6.092 -9.039 5.783 1.00 0.47 H new ATOM 0 HG23 ILE B 18 -6.340 -9.729 4.161 1.00 0.47 H new ATOM 0 HD11 ILE B 18 -2.451 -8.304 1.669 1.00 1.37 H new ATOM 0 HD12 ILE B 18 -3.435 -6.926 2.216 1.00 1.37 H new ATOM 0 HD13 ILE B 18 -2.215 -7.635 3.301 1.00 1.37 H new ATOM 1927 N ALA B 19 -6.678 -6.478 6.002 1.00 0.25 N ATOM 1928 CA ALA B 19 -7.762 -6.340 6.964 1.00 0.25 C ATOM 1929 C ALA B 19 -8.851 -5.392 6.462 1.00 0.23 C ATOM 1930 O ALA B 19 -10.016 -5.777 6.361 1.00 0.27 O ATOM 1931 CB ALA B 19 -7.219 -5.853 8.301 1.00 0.28 C ATOM 0 H ALA B 19 -5.770 -6.169 6.349 1.00 0.25 H new ATOM 0 HA ALA B 19 -8.214 -7.323 7.094 1.00 0.25 H new ATOM 0 HB1 ALA B 19 -8.039 -5.754 9.012 1.00 0.28 H new ATOM 0 HB2 ALA B 19 -6.493 -6.571 8.682 1.00 0.28 H new ATOM 0 HB3 ALA B 19 -6.736 -4.885 8.167 1.00 0.28 H new ATOM 1937 N VAL B 20 -8.469 -4.157 6.139 1.00 0.20 N ATOM 1938 CA VAL B 20 -9.434 -3.138 5.739 1.00 0.22 C ATOM 1939 C VAL B 20 -10.098 -3.504 4.416 1.00 0.23 C ATOM 1940 O VAL B 20 -11.311 -3.335 4.246 1.00 0.27 O ATOM 1941 CB VAL B 20 -8.786 -1.733 5.647 1.00 0.27 C ATOM 1942 CG1 VAL B 20 -7.877 -1.515 6.820 1.00 0.87 C ATOM 1943 CG2 VAL B 20 -8.012 -1.532 4.355 1.00 0.87 C ATOM 0 H VAL B 20 -7.500 -3.840 6.147 1.00 0.20 H new ATOM 0 HA VAL B 20 -10.199 -3.100 6.515 1.00 0.22 H new ATOM 0 HB VAL B 20 -9.595 -1.003 5.657 1.00 0.27 H new ATOM 0 HG11 VAL B 20 -7.424 -0.526 6.750 1.00 0.87 H new ATOM 0 HG12 VAL B 20 -8.451 -1.587 7.744 1.00 0.87 H new ATOM 0 HG13 VAL B 20 -7.094 -2.273 6.820 1.00 0.87 H new ATOM 0 HG21 VAL B 20 -7.579 -0.532 4.342 1.00 0.87 H new ATOM 0 HG22 VAL B 20 -7.216 -2.273 4.289 1.00 0.87 H new ATOM 0 HG23 VAL B 20 -8.686 -1.647 3.506 1.00 0.87 H new ATOM 1953 N PHE B 21 -9.304 -4.025 3.490 1.00 0.22 N ATOM 1954 CA PHE B 21 -9.847 -4.461 2.207 1.00 0.25 C ATOM 1955 C PHE B 21 -10.862 -5.577 2.410 1.00 0.29 C ATOM 1956 O PHE B 21 -11.988 -5.493 1.936 1.00 0.35 O ATOM 1957 CB PHE B 21 -8.742 -4.945 1.265 1.00 0.26 C ATOM 1958 CG PHE B 21 -9.256 -5.478 -0.044 1.00 0.91 C ATOM 1959 CD1 PHE B 21 -9.689 -4.616 -1.036 1.00 1.59 C ATOM 1960 CD2 PHE B 21 -9.306 -6.843 -0.282 1.00 1.85 C ATOM 1961 CE1 PHE B 21 -10.163 -5.102 -2.238 1.00 2.17 C ATOM 1962 CE2 PHE B 21 -9.778 -7.334 -1.482 1.00 2.48 C ATOM 1963 CZ PHE B 21 -10.208 -6.462 -2.461 1.00 2.40 C ATOM 0 H PHE B 21 -8.298 -4.155 3.598 1.00 0.22 H new ATOM 0 HA PHE B 21 -10.337 -3.600 1.752 1.00 0.25 H new ATOM 0 HB2 PHE B 21 -8.057 -4.120 1.068 1.00 0.26 H new ATOM 0 HB3 PHE B 21 -8.167 -5.725 1.764 1.00 0.26 H new ATOM 0 HD1 PHE B 21 -9.656 -3.550 -0.868 1.00 1.59 H new ATOM 0 HD2 PHE B 21 -8.971 -7.530 0.481 1.00 1.85 H new ATOM 0 HE1 PHE B 21 -10.498 -4.418 -3.003 1.00 2.17 H new ATOM 0 HE2 PHE B 21 -9.811 -8.400 -1.655 1.00 2.48 H new ATOM 0 HZ PHE B 21 -10.579 -6.844 -3.400 1.00 2.40 H new ATOM 1973 N GLN B 22 -10.464 -6.596 3.153 1.00 0.30 N ATOM 1974 CA GLN B 22 -11.258 -7.806 3.287 1.00 0.37 C ATOM 1975 C GLN B 22 -12.486 -7.605 4.166 1.00 0.36 C ATOM 1976 O GLN B 22 -13.413 -8.410 4.121 1.00 0.44 O ATOM 1977 CB GLN B 22 -10.391 -8.946 3.814 1.00 0.47 C ATOM 1978 CG GLN B 22 -9.491 -9.547 2.749 1.00 1.11 C ATOM 1979 CD GLN B 22 -8.675 -10.716 3.259 1.00 1.98 C ATOM 1980 OE1 GLN B 22 -8.340 -10.792 4.438 1.00 2.68 O ATOM 1981 NE2 GLN B 22 -8.344 -11.636 2.369 1.00 2.65 N ATOM 0 H GLN B 22 -9.589 -6.609 3.676 1.00 0.30 H new ATOM 0 HA GLN B 22 -11.627 -8.066 2.295 1.00 0.37 H new ATOM 0 HB2 GLN B 22 -9.777 -8.578 4.636 1.00 0.47 H new ATOM 0 HB3 GLN B 22 -11.034 -9.726 4.221 1.00 0.47 H new ATOM 0 HG2 GLN B 22 -10.101 -9.876 1.908 1.00 1.11 H new ATOM 0 HG3 GLN B 22 -8.818 -8.777 2.373 1.00 1.11 H new ATOM 0 HE21 GLN B 22 -8.642 -11.537 1.398 1.00 2.65 H new ATOM 0 HE22 GLN B 22 -7.791 -12.445 2.653 1.00 2.65 H new ATOM 1990 N LYS B 23 -12.508 -6.554 4.974 1.00 0.35 N ATOM 1991 CA LYS B 23 -13.682 -6.292 5.788 1.00 0.39 C ATOM 1992 C LYS B 23 -14.768 -5.584 4.974 1.00 0.41 C ATOM 1993 O LYS B 23 -15.950 -5.881 5.123 1.00 0.49 O ATOM 1994 CB LYS B 23 -13.326 -5.494 7.044 1.00 0.41 C ATOM 1995 CG LYS B 23 -12.771 -4.123 6.784 1.00 0.42 C ATOM 1996 CD LYS B 23 -12.129 -3.576 8.035 1.00 0.63 C ATOM 1997 CE LYS B 23 -12.123 -2.069 8.013 1.00 0.64 C ATOM 1998 NZ LYS B 23 -11.430 -1.482 9.190 1.00 0.91 N ATOM 0 H LYS B 23 -11.746 -5.885 5.081 1.00 0.35 H new ATOM 0 HA LYS B 23 -14.079 -7.254 6.113 1.00 0.39 H new ATOM 0 HB2 LYS B 23 -14.219 -5.398 7.661 1.00 0.41 H new ATOM 0 HB3 LYS B 23 -12.598 -6.061 7.623 1.00 0.41 H new ATOM 0 HG2 LYS B 23 -12.038 -4.166 5.979 1.00 0.42 H new ATOM 0 HG3 LYS B 23 -13.568 -3.457 6.454 1.00 0.42 H new ATOM 0 HD2 LYS B 23 -12.670 -3.930 8.912 1.00 0.63 H new ATOM 0 HD3 LYS B 23 -11.108 -3.948 8.119 1.00 0.63 H new ATOM 0 HE2 LYS B 23 -11.636 -1.725 7.101 1.00 0.64 H new ATOM 0 HE3 LYS B 23 -13.150 -1.706 7.983 1.00 0.64 H new ATOM 0 HZ1 LYS B 23 -10.867 -0.662 8.888 1.00 0.91 H new ATOM 0 HZ2 LYS B 23 -12.135 -1.178 9.892 1.00 0.91 H new ATOM 0 HZ3 LYS B 23 -10.803 -2.195 9.615 1.00 0.91 H new ATOM 2012 N TYR B 24 -14.373 -4.662 4.098 1.00 0.36 N ATOM 2013 CA TYR B 24 -15.350 -3.955 3.272 1.00 0.39 C ATOM 2014 C TYR B 24 -15.684 -4.735 2.011 1.00 0.34 C ATOM 2015 O TYR B 24 -16.837 -4.788 1.601 1.00 0.40 O ATOM 2016 CB TYR B 24 -14.865 -2.556 2.925 1.00 0.46 C ATOM 2017 CG TYR B 24 -15.162 -1.548 4.011 1.00 0.86 C ATOM 2018 CD1 TYR B 24 -14.273 -1.326 5.052 1.00 1.66 C ATOM 2019 CD2 TYR B 24 -16.347 -0.826 3.995 1.00 1.52 C ATOM 2020 CE1 TYR B 24 -14.556 -0.409 6.046 1.00 1.99 C ATOM 2021 CE2 TYR B 24 -16.636 0.093 4.984 1.00 1.83 C ATOM 2022 CZ TYR B 24 -15.738 0.297 6.007 1.00 1.71 C ATOM 2023 OH TYR B 24 -16.026 1.209 6.995 1.00 2.15 O ATOM 0 H TYR B 24 -13.402 -4.390 3.943 1.00 0.36 H new ATOM 0 HA TYR B 24 -16.264 -3.863 3.859 1.00 0.39 H new ATOM 0 HB2 TYR B 24 -13.790 -2.583 2.745 1.00 0.46 H new ATOM 0 HB3 TYR B 24 -15.336 -2.233 1.997 1.00 0.46 H new ATOM 0 HD1 TYR B 24 -13.345 -1.878 5.086 1.00 1.66 H new ATOM 0 HD2 TYR B 24 -17.055 -0.986 3.195 1.00 1.52 H new ATOM 0 HE1 TYR B 24 -13.853 -0.247 6.850 1.00 1.99 H new ATOM 0 HE2 TYR B 24 -17.562 0.649 4.955 1.00 1.83 H new ATOM 0 HH TYR B 24 -15.964 2.117 6.631 1.00 2.15 H new ATOM 2033 N ALA B 25 -14.681 -5.347 1.404 1.00 0.29 N ATOM 2034 CA ALA B 25 -14.914 -6.232 0.273 1.00 0.34 C ATOM 2035 C ALA B 25 -15.566 -7.516 0.769 1.00 0.47 C ATOM 2036 O ALA B 25 -16.188 -8.260 0.012 1.00 0.58 O ATOM 2037 CB ALA B 25 -13.607 -6.532 -0.443 1.00 0.37 C ATOM 0 H ALA B 25 -13.702 -5.249 1.673 1.00 0.29 H new ATOM 0 HA ALA B 25 -15.581 -5.745 -0.439 1.00 0.34 H new ATOM 0 HB1 ALA B 25 -13.798 -7.195 -1.287 1.00 0.37 H new ATOM 0 HB2 ALA B 25 -13.168 -5.602 -0.805 1.00 0.37 H new ATOM 0 HB3 ALA B 25 -12.916 -7.014 0.248 1.00 0.37 H new ATOM 2043 N GLY B 26 -15.427 -7.747 2.070 1.00 0.50 N ATOM 2044 CA GLY B 26 -16.033 -8.899 2.701 1.00 0.64 C ATOM 2045 C GLY B 26 -17.494 -8.667 3.025 1.00 0.76 C ATOM 2046 O GLY B 26 -18.152 -9.534 3.601 1.00 0.96 O ATOM 0 H GLY B 26 -14.898 -7.147 2.703 1.00 0.50 H new ATOM 0 HA2 GLY B 26 -15.941 -9.763 2.043 1.00 0.64 H new ATOM 0 HA3 GLY B 26 -15.492 -9.137 3.617 1.00 0.64 H new ATOM 2147 N THR B 33 -13.392 -8.420 -4.294 1.00 0.66 N ATOM 2148 CA THR B 33 -13.516 -7.110 -4.901 1.00 0.45 C ATOM 2149 C THR B 33 -14.442 -6.229 -4.074 1.00 0.37 C ATOM 2150 O THR B 33 -15.469 -6.676 -3.570 1.00 0.44 O ATOM 2151 CB THR B 33 -14.045 -7.232 -6.347 1.00 0.45 C ATOM 2152 OG1 THR B 33 -13.859 -8.572 -6.829 1.00 0.66 O ATOM 2153 CG2 THR B 33 -13.325 -6.271 -7.277 1.00 0.43 C ATOM 0 HA THR B 33 -12.529 -6.649 -4.931 1.00 0.45 H new ATOM 0 HB THR B 33 -15.106 -6.984 -6.334 1.00 0.45 H new ATOM 0 HG1 THR B 33 -13.700 -9.173 -6.071 1.00 0.66 H new ATOM 0 HG21 THR B 33 -13.718 -6.379 -8.288 1.00 0.43 H new ATOM 0 HG22 THR B 33 -13.481 -5.248 -6.935 1.00 0.43 H new ATOM 0 HG23 THR B 33 -12.258 -6.495 -7.277 1.00 0.43 H new ATOM 2161 N LEU B 34 -14.037 -4.986 -3.922 1.00 0.32 N ATOM 2162 CA LEU B 34 -14.780 -3.997 -3.175 1.00 0.30 C ATOM 2163 C LEU B 34 -15.779 -3.326 -4.099 1.00 0.31 C ATOM 2164 O LEU B 34 -15.398 -2.588 -5.008 1.00 0.34 O ATOM 2165 CB LEU B 34 -13.776 -2.988 -2.598 1.00 0.29 C ATOM 2166 CG LEU B 34 -13.759 -2.849 -1.079 1.00 0.29 C ATOM 2167 CD1 LEU B 34 -12.429 -2.290 -0.604 1.00 0.45 C ATOM 2168 CD2 LEU B 34 -14.881 -1.950 -0.626 1.00 0.28 C ATOM 0 H LEU B 34 -13.168 -4.630 -4.321 1.00 0.32 H new ATOM 0 HA LEU B 34 -15.337 -4.450 -2.355 1.00 0.30 H new ATOM 0 HB2 LEU B 34 -12.777 -3.273 -2.927 1.00 0.29 H new ATOM 0 HB3 LEU B 34 -13.987 -2.010 -3.029 1.00 0.29 H new ATOM 0 HG LEU B 34 -13.895 -3.840 -0.645 1.00 0.29 H new ATOM 0 HD11 LEU B 34 -12.439 -2.199 0.482 1.00 0.45 H new ATOM 0 HD12 LEU B 34 -11.624 -2.961 -0.904 1.00 0.45 H new ATOM 0 HD13 LEU B 34 -12.268 -1.308 -1.048 1.00 0.45 H new ATOM 0 HD21 LEU B 34 -14.858 -1.859 0.460 1.00 0.28 H new ATOM 0 HD22 LEU B 34 -14.762 -0.964 -1.076 1.00 0.28 H new ATOM 0 HD23 LEU B 34 -15.836 -2.376 -0.934 1.00 0.28 H new ATOM 2180 N SER B 35 -17.053 -3.620 -3.881 1.00 0.31 N ATOM 2181 CA SER B 35 -18.110 -3.153 -4.757 1.00 0.33 C ATOM 2182 C SER B 35 -18.283 -1.641 -4.644 1.00 0.32 C ATOM 2183 O SER B 35 -17.777 -1.028 -3.703 1.00 0.30 O ATOM 2184 CB SER B 35 -19.416 -3.884 -4.442 1.00 0.37 C ATOM 2185 OG SER B 35 -20.440 -3.554 -5.369 1.00 0.40 O ATOM 0 H SER B 35 -17.378 -4.185 -3.097 1.00 0.31 H new ATOM 0 HA SER B 35 -17.832 -3.375 -5.787 1.00 0.33 H new ATOM 0 HB2 SER B 35 -19.244 -4.960 -4.458 1.00 0.37 H new ATOM 0 HB3 SER B 35 -19.742 -3.629 -3.434 1.00 0.37 H new ATOM 0 HG SER B 35 -21.259 -4.040 -5.138 1.00 0.40 H new ATOM 2191 N LYS B 36 -19.009 -1.057 -5.603 1.00 0.38 N ATOM 2192 CA LYS B 36 -19.170 0.394 -5.699 1.00 0.42 C ATOM 2193 C LYS B 36 -19.513 0.999 -4.348 1.00 0.36 C ATOM 2194 O LYS B 36 -18.733 1.761 -3.785 1.00 0.35 O ATOM 2195 CB LYS B 36 -20.259 0.747 -6.724 1.00 0.53 C ATOM 2196 CG LYS B 36 -20.526 2.244 -6.857 1.00 0.62 C ATOM 2197 CD LYS B 36 -19.274 2.999 -7.268 1.00 0.66 C ATOM 2198 CE LYS B 36 -19.532 4.485 -7.477 1.00 0.61 C ATOM 2199 NZ LYS B 36 -20.287 4.756 -8.731 1.00 0.65 N ATOM 0 H LYS B 36 -19.499 -1.576 -6.331 1.00 0.38 H new ATOM 0 HA LYS B 36 -18.220 0.813 -6.030 1.00 0.42 H new ATOM 0 HB2 LYS B 36 -19.968 0.352 -7.698 1.00 0.53 H new ATOM 0 HB3 LYS B 36 -21.185 0.247 -6.441 1.00 0.53 H new ATOM 0 HG2 LYS B 36 -21.311 2.410 -7.595 1.00 0.62 H new ATOM 0 HG3 LYS B 36 -20.893 2.635 -5.908 1.00 0.62 H new ATOM 0 HD2 LYS B 36 -18.508 2.870 -6.503 1.00 0.66 H new ATOM 0 HD3 LYS B 36 -18.880 2.569 -8.189 1.00 0.66 H new ATOM 0 HE2 LYS B 36 -20.090 4.878 -6.627 1.00 0.61 H new ATOM 0 HE3 LYS B 36 -18.581 5.016 -7.506 1.00 0.61 H new ATOM 0 HZ1 LYS B 36 -20.264 5.775 -8.937 1.00 0.65 H new ATOM 0 HZ2 LYS B 36 -19.852 4.234 -9.518 1.00 0.65 H new ATOM 0 HZ3 LYS B 36 -21.274 4.449 -8.615 1.00 0.65 H new ATOM 2213 N THR B 37 -20.651 0.607 -3.812 1.00 0.37 N ATOM 2214 CA THR B 37 -21.131 1.141 -2.552 1.00 0.38 C ATOM 2215 C THR B 37 -20.215 0.748 -1.396 1.00 0.36 C ATOM 2216 O THR B 37 -20.120 1.451 -0.384 1.00 0.38 O ATOM 2217 CB THR B 37 -22.540 0.620 -2.263 1.00 0.44 C ATOM 2218 OG1 THR B 37 -23.382 0.823 -3.409 1.00 0.47 O ATOM 2219 CG2 THR B 37 -23.132 1.326 -1.053 1.00 0.49 C ATOM 0 H THR B 37 -21.267 -0.087 -4.235 1.00 0.37 H new ATOM 0 HA THR B 37 -21.142 2.227 -2.639 1.00 0.38 H new ATOM 0 HB THR B 37 -22.479 -0.447 -2.048 1.00 0.44 H new ATOM 0 HG1 THR B 37 -24.282 0.486 -3.218 1.00 0.47 H new ATOM 0 HG21 THR B 37 -24.134 0.943 -0.862 1.00 0.49 H new ATOM 0 HG22 THR B 37 -22.502 1.145 -0.182 1.00 0.49 H new ATOM 0 HG23 THR B 37 -23.184 2.397 -1.246 1.00 0.49 H new ATOM 2227 N GLU B 38 -19.521 -0.365 -1.561 1.00 0.34 N ATOM 2228 CA GLU B 38 -18.690 -0.891 -0.502 1.00 0.33 C ATOM 2229 C GLU B 38 -17.448 -0.033 -0.320 1.00 0.33 C ATOM 2230 O GLU B 38 -16.998 0.169 0.808 1.00 0.48 O ATOM 2231 CB GLU B 38 -18.319 -2.347 -0.770 1.00 0.34 C ATOM 2232 CG GLU B 38 -19.524 -3.273 -0.818 1.00 0.47 C ATOM 2233 CD GLU B 38 -19.151 -4.714 -1.097 1.00 1.27 C ATOM 2234 OE1 GLU B 38 -18.139 -4.946 -1.783 1.00 2.16 O ATOM 2235 OE2 GLU B 38 -19.894 -5.617 -0.655 1.00 1.96 O ATOM 0 H GLU B 38 -19.519 -0.918 -2.418 1.00 0.34 H new ATOM 0 HA GLU B 38 -19.261 -0.861 0.426 1.00 0.33 H new ATOM 0 HB2 GLU B 38 -17.782 -2.410 -1.717 1.00 0.34 H new ATOM 0 HB3 GLU B 38 -17.636 -2.690 0.007 1.00 0.34 H new ATOM 0 HG2 GLU B 38 -20.056 -3.218 0.132 1.00 0.47 H new ATOM 0 HG3 GLU B 38 -20.212 -2.926 -1.589 1.00 0.47 H new ATOM 2242 N PHE B 39 -16.893 0.501 -1.411 1.00 0.29 N ATOM 2243 CA PHE B 39 -15.753 1.389 -1.262 1.00 0.31 C ATOM 2244 C PHE B 39 -16.221 2.793 -1.006 1.00 0.28 C ATOM 2245 O PHE B 39 -15.486 3.608 -0.478 1.00 0.27 O ATOM 2246 CB PHE B 39 -14.758 1.366 -2.428 1.00 0.53 C ATOM 2247 CG PHE B 39 -15.315 1.585 -3.800 1.00 0.81 C ATOM 2248 CD1 PHE B 39 -15.674 2.852 -4.221 1.00 1.76 C ATOM 2249 CD2 PHE B 39 -15.441 0.527 -4.679 1.00 1.78 C ATOM 2250 CE1 PHE B 39 -16.160 3.057 -5.494 1.00 2.61 C ATOM 2251 CE2 PHE B 39 -15.922 0.725 -5.954 1.00 2.66 C ATOM 2252 CZ PHE B 39 -16.283 1.992 -6.360 1.00 2.87 C ATOM 0 H PHE B 39 -17.204 0.339 -2.369 1.00 0.29 H new ATOM 0 HA PHE B 39 -15.199 1.007 -0.404 1.00 0.31 H new ATOM 0 HB2 PHE B 39 -14.002 2.129 -2.243 1.00 0.53 H new ATOM 0 HB3 PHE B 39 -14.248 0.403 -2.419 1.00 0.53 H new ATOM 0 HD1 PHE B 39 -15.573 3.689 -3.546 1.00 1.76 H new ATOM 0 HD2 PHE B 39 -15.159 -0.466 -4.363 1.00 1.78 H new ATOM 0 HE1 PHE B 39 -16.444 4.049 -5.812 1.00 2.61 H new ATOM 0 HE2 PHE B 39 -16.016 -0.109 -6.633 1.00 2.66 H new ATOM 0 HZ PHE B 39 -16.663 2.150 -7.359 1.00 2.87 H new ATOM 2262 N LEU B 40 -17.443 3.085 -1.387 1.00 0.33 N ATOM 2263 CA LEU B 40 -18.038 4.350 -1.031 1.00 0.37 C ATOM 2264 C LEU B 40 -18.034 4.516 0.485 1.00 0.40 C ATOM 2265 O LEU B 40 -17.537 5.510 1.018 1.00 0.43 O ATOM 2266 CB LEU B 40 -19.469 4.427 -1.539 1.00 0.43 C ATOM 2267 CG LEU B 40 -19.650 4.329 -3.054 1.00 0.50 C ATOM 2268 CD1 LEU B 40 -20.995 4.894 -3.473 1.00 1.07 C ATOM 2269 CD2 LEU B 40 -18.512 5.019 -3.781 1.00 0.46 C ATOM 0 H LEU B 40 -18.040 2.469 -1.939 1.00 0.33 H new ATOM 0 HA LEU B 40 -17.453 5.147 -1.490 1.00 0.37 H new ATOM 0 HB2 LEU B 40 -20.043 3.626 -1.072 1.00 0.43 H new ATOM 0 HB3 LEU B 40 -19.903 5.368 -1.202 1.00 0.43 H new ATOM 0 HG LEU B 40 -19.630 3.275 -3.332 1.00 0.50 H new ATOM 0 HD11 LEU B 40 -21.102 4.814 -4.555 1.00 1.07 H new ATOM 0 HD12 LEU B 40 -21.793 4.333 -2.987 1.00 1.07 H new ATOM 0 HD13 LEU B 40 -21.057 5.942 -3.179 1.00 1.07 H new ATOM 0 HD21 LEU B 40 -18.664 4.935 -4.857 1.00 0.46 H new ATOM 0 HD22 LEU B 40 -18.485 6.072 -3.499 1.00 0.46 H new ATOM 0 HD23 LEU B 40 -17.568 4.547 -3.510 1.00 0.46 H new ATOM 2281 N SER B 41 -18.583 3.522 1.170 1.00 0.42 N ATOM 2282 CA SER B 41 -18.597 3.513 2.621 1.00 0.52 C ATOM 2283 C SER B 41 -17.176 3.408 3.162 1.00 0.45 C ATOM 2284 O SER B 41 -16.828 4.076 4.134 1.00 0.47 O ATOM 2285 CB SER B 41 -19.471 2.366 3.142 1.00 0.67 C ATOM 2286 OG SER B 41 -19.216 1.158 2.440 1.00 1.40 O ATOM 0 H SER B 41 -19.025 2.710 0.739 1.00 0.42 H new ATOM 0 HA SER B 41 -19.027 4.450 2.974 1.00 0.52 H new ATOM 0 HB2 SER B 41 -19.282 2.217 4.205 1.00 0.67 H new ATOM 0 HB3 SER B 41 -20.523 2.633 3.039 1.00 0.67 H new ATOM 0 HG SER B 41 -18.395 1.253 1.913 1.00 1.40 H new ATOM 2292 N PHE B 42 -16.358 2.576 2.516 1.00 0.42 N ATOM 2293 CA PHE B 42 -14.941 2.464 2.850 1.00 0.46 C ATOM 2294 C PHE B 42 -14.280 3.830 2.815 1.00 0.29 C ATOM 2295 O PHE B 42 -13.804 4.320 3.821 1.00 0.42 O ATOM 2296 CB PHE B 42 -14.223 1.555 1.854 1.00 0.80 C ATOM 2297 CG PHE B 42 -12.771 1.350 2.192 1.00 1.89 C ATOM 2298 CD1 PHE B 42 -11.799 2.212 1.709 1.00 2.77 C ATOM 2299 CD2 PHE B 42 -12.384 0.309 3.014 1.00 2.69 C ATOM 2300 CE1 PHE B 42 -10.472 2.037 2.043 1.00 3.80 C ATOM 2301 CE2 PHE B 42 -11.059 0.125 3.347 1.00 3.73 C ATOM 2302 CZ PHE B 42 -10.102 0.992 2.864 1.00 4.13 C ATOM 0 H PHE B 42 -16.657 1.967 1.754 1.00 0.42 H new ATOM 0 HA PHE B 42 -14.869 2.041 3.852 1.00 0.46 H new ATOM 0 HB2 PHE B 42 -14.725 0.588 1.825 1.00 0.80 H new ATOM 0 HB3 PHE B 42 -14.302 1.985 0.855 1.00 0.80 H new ATOM 0 HD1 PHE B 42 -12.084 3.030 1.064 1.00 2.77 H new ATOM 0 HD2 PHE B 42 -13.130 -0.370 3.401 1.00 2.69 H new ATOM 0 HE1 PHE B 42 -9.724 2.717 1.662 1.00 3.80 H new ATOM 0 HE2 PHE B 42 -10.771 -0.697 3.985 1.00 3.73 H new ATOM 0 HZ PHE B 42 -9.064 0.853 3.128 1.00 4.13 H new ATOM 2312 N MET B 43 -14.268 4.426 1.642 1.00 0.26 N ATOM 2313 CA MET B 43 -13.624 5.712 1.424 1.00 0.29 C ATOM 2314 C MET B 43 -14.059 6.766 2.434 1.00 0.29 C ATOM 2315 O MET B 43 -13.223 7.476 2.977 1.00 0.37 O ATOM 2316 CB MET B 43 -13.921 6.217 0.023 1.00 0.38 C ATOM 2317 CG MET B 43 -12.893 5.820 -1.032 1.00 0.62 C ATOM 2318 SD MET B 43 -12.654 4.040 -1.174 1.00 1.22 S ATOM 2319 CE MET B 43 -11.805 3.945 -2.745 1.00 2.25 C ATOM 0 H MET B 43 -14.705 4.034 0.808 1.00 0.26 H new ATOM 0 HA MET B 43 -12.554 5.549 1.551 1.00 0.29 H new ATOM 0 HB2 MET B 43 -14.898 5.843 -0.283 1.00 0.38 H new ATOM 0 HB3 MET B 43 -13.990 7.304 0.051 1.00 0.38 H new ATOM 0 HG2 MET B 43 -13.206 6.214 -1.999 1.00 0.62 H new ATOM 0 HG3 MET B 43 -11.939 6.288 -0.791 1.00 0.62 H new ATOM 0 HE1 MET B 43 -11.664 2.900 -3.020 1.00 2.25 H new ATOM 0 HE2 MET B 43 -12.399 4.445 -3.510 1.00 2.25 H new ATOM 0 HE3 MET B 43 -10.834 4.433 -2.664 1.00 2.25 H new ATOM 2329 N ASN B 44 -15.353 6.885 2.691 1.00 0.29 N ATOM 2330 CA ASN B 44 -15.826 7.919 3.610 1.00 0.33 C ATOM 2331 C ASN B 44 -15.435 7.630 5.051 1.00 0.32 C ATOM 2332 O ASN B 44 -15.412 8.538 5.875 1.00 0.39 O ATOM 2333 CB ASN B 44 -17.337 8.090 3.569 1.00 0.42 C ATOM 2334 CG ASN B 44 -17.844 8.843 2.356 1.00 1.05 C ATOM 2335 OD1 ASN B 44 -17.887 10.074 2.354 1.00 1.53 O ATOM 2336 ND2 ASN B 44 -18.270 8.121 1.338 1.00 1.83 N ATOM 0 H ASN B 44 -16.082 6.296 2.289 1.00 0.29 H new ATOM 0 HA ASN B 44 -15.344 8.835 3.269 1.00 0.33 H new ATOM 0 HB2 ASN B 44 -17.804 7.105 3.593 1.00 0.42 H new ATOM 0 HB3 ASN B 44 -17.656 8.616 4.469 1.00 0.42 H new ATOM 0 HD21 ASN B 44 -18.652 8.580 0.511 1.00 1.83 H new ATOM 0 HD22 ASN B 44 -18.218 7.103 1.377 1.00 1.83 H new ATOM 2343 N THR B 45 -15.160 6.377 5.369 1.00 0.27 N ATOM 2344 CA THR B 45 -14.824 6.022 6.745 1.00 0.29 C ATOM 2345 C THR B 45 -13.330 5.780 6.915 1.00 0.28 C ATOM 2346 O THR B 45 -12.646 6.514 7.626 1.00 0.34 O ATOM 2347 CB THR B 45 -15.593 4.770 7.206 1.00 0.30 C ATOM 2348 OG1 THR B 45 -15.399 3.699 6.272 1.00 0.34 O ATOM 2349 CG2 THR B 45 -17.077 5.066 7.337 1.00 0.34 C ATOM 0 H THR B 45 -15.161 5.598 4.710 1.00 0.27 H new ATOM 0 HA THR B 45 -15.117 6.870 7.364 1.00 0.29 H new ATOM 0 HB THR B 45 -15.207 4.475 8.182 1.00 0.30 H new ATOM 0 HG1 THR B 45 -15.843 3.918 5.426 1.00 0.34 H new ATOM 0 HG21 THR B 45 -17.600 4.167 7.664 1.00 0.34 H new ATOM 0 HG22 THR B 45 -17.227 5.859 8.069 1.00 0.34 H new ATOM 0 HG23 THR B 45 -17.471 5.384 6.372 1.00 0.34 H new ATOM 2357 N GLU B 46 -12.834 4.775 6.214 1.00 0.23 N ATOM 2358 CA GLU B 46 -11.454 4.353 6.318 1.00 0.25 C ATOM 2359 C GLU B 46 -10.525 5.290 5.550 1.00 0.25 C ATOM 2360 O GLU B 46 -9.311 5.173 5.643 1.00 0.34 O ATOM 2361 CB GLU B 46 -11.298 2.927 5.795 1.00 0.29 C ATOM 2362 CG GLU B 46 -12.146 1.907 6.536 1.00 0.57 C ATOM 2363 CD GLU B 46 -11.754 1.759 7.992 1.00 1.17 C ATOM 2364 OE1 GLU B 46 -10.855 0.945 8.287 1.00 1.70 O ATOM 2365 OE2 GLU B 46 -12.358 2.438 8.848 1.00 1.68 O ATOM 0 H GLU B 46 -13.384 4.227 5.553 1.00 0.23 H new ATOM 0 HA GLU B 46 -11.175 4.386 7.371 1.00 0.25 H new ATOM 0 HB2 GLU B 46 -11.562 2.907 4.738 1.00 0.29 H new ATOM 0 HB3 GLU B 46 -10.250 2.636 5.867 1.00 0.29 H new ATOM 0 HG2 GLU B 46 -13.194 2.201 6.475 1.00 0.57 H new ATOM 0 HG3 GLU B 46 -12.057 0.940 6.041 1.00 0.57 H new ATOM 2372 N LEU B 47 -11.090 6.198 4.772 1.00 0.25 N ATOM 2373 CA LEU B 47 -10.290 7.192 4.071 1.00 0.26 C ATOM 2374 C LEU B 47 -10.898 8.568 4.210 1.00 0.28 C ATOM 2375 O LEU B 47 -10.752 9.412 3.327 1.00 0.30 O ATOM 2376 CB LEU B 47 -10.162 6.841 2.596 1.00 0.26 C ATOM 2377 CG LEU B 47 -9.368 5.581 2.311 1.00 0.27 C ATOM 2378 CD1 LEU B 47 -9.379 5.278 0.826 1.00 0.32 C ATOM 2379 CD2 LEU B 47 -7.948 5.742 2.834 1.00 0.28 C ATOM 0 H LEU B 47 -12.094 6.269 4.609 1.00 0.25 H new ATOM 0 HA LEU B 47 -9.298 7.195 4.523 1.00 0.26 H new ATOM 0 HB2 LEU B 47 -11.161 6.727 2.176 1.00 0.26 H new ATOM 0 HB3 LEU B 47 -9.691 7.676 2.077 1.00 0.26 H new ATOM 0 HG LEU B 47 -9.829 4.737 2.824 1.00 0.27 H new ATOM 0 HD11 LEU B 47 -8.805 4.371 0.635 1.00 0.32 H new ATOM 0 HD12 LEU B 47 -10.406 5.134 0.492 1.00 0.32 H new ATOM 0 HD13 LEU B 47 -8.933 6.110 0.282 1.00 0.32 H new ATOM 0 HD21 LEU B 47 -7.379 4.835 2.628 1.00 0.28 H new ATOM 0 HD22 LEU B 47 -7.472 6.589 2.340 1.00 0.28 H new ATOM 0 HD23 LEU B 47 -7.974 5.917 3.909 1.00 0.28 H new ATOM 2391 N ALA B 48 -11.598 8.784 5.308 1.00 0.32 N ATOM 2392 CA ALA B 48 -12.237 10.056 5.560 1.00 0.37 C ATOM 2393 C ALA B 48 -11.228 11.201 5.614 1.00 0.39 C ATOM 2394 O ALA B 48 -11.593 12.354 5.396 1.00 0.44 O ATOM 2395 CB ALA B 48 -13.050 9.979 6.835 1.00 0.41 C ATOM 0 H ALA B 48 -11.737 8.089 6.041 1.00 0.32 H new ATOM 0 HA ALA B 48 -12.907 10.270 4.727 1.00 0.37 H new ATOM 0 HB1 ALA B 48 -13.529 10.940 7.020 1.00 0.41 H new ATOM 0 HB2 ALA B 48 -13.813 9.207 6.734 1.00 0.41 H new ATOM 0 HB3 ALA B 48 -12.394 9.734 7.670 1.00 0.41 H new ATOM 2401 N ALA B 49 -9.966 10.887 5.883 1.00 0.38 N ATOM 2402 CA ALA B 49 -8.907 11.886 5.820 1.00 0.41 C ATOM 2403 C ALA B 49 -8.878 12.518 4.439 1.00 0.41 C ATOM 2404 O ALA B 49 -8.780 13.735 4.283 1.00 0.47 O ATOM 2405 CB ALA B 49 -7.560 11.248 6.121 1.00 0.44 C ATOM 0 H ALA B 49 -9.652 9.953 6.146 1.00 0.38 H new ATOM 0 HA ALA B 49 -9.106 12.656 6.566 1.00 0.41 H new ATOM 0 HB1 ALA B 49 -6.779 12.006 6.070 1.00 0.44 H new ATOM 0 HB2 ALA B 49 -7.579 10.813 7.120 1.00 0.44 H new ATOM 0 HB3 ALA B 49 -7.356 10.467 5.389 1.00 0.44 H new ATOM 2411 N PHE B 50 -8.979 11.657 3.448 1.00 0.36 N ATOM 2412 CA PHE B 50 -8.937 12.048 2.055 1.00 0.37 C ATOM 2413 C PHE B 50 -10.321 12.436 1.540 1.00 0.38 C ATOM 2414 O PHE B 50 -10.518 13.519 0.997 1.00 0.44 O ATOM 2415 CB PHE B 50 -8.384 10.881 1.249 1.00 0.35 C ATOM 2416 CG PHE B 50 -6.936 10.595 1.533 1.00 0.70 C ATOM 2417 CD1 PHE B 50 -5.936 11.278 0.860 1.00 1.33 C ATOM 2418 CD2 PHE B 50 -6.574 9.644 2.475 1.00 1.63 C ATOM 2419 CE1 PHE B 50 -4.603 11.019 1.120 1.00 1.67 C ATOM 2420 CE2 PHE B 50 -5.244 9.380 2.740 1.00 2.10 C ATOM 2421 CZ PHE B 50 -4.256 10.069 2.061 1.00 1.80 C ATOM 0 H PHE B 50 -9.094 10.653 3.589 1.00 0.36 H new ATOM 0 HA PHE B 50 -8.297 12.924 1.948 1.00 0.37 H new ATOM 0 HB2 PHE B 50 -8.972 9.989 1.464 1.00 0.35 H new ATOM 0 HB3 PHE B 50 -8.504 11.093 0.187 1.00 0.35 H new ATOM 0 HD1 PHE B 50 -6.201 12.022 0.123 1.00 1.33 H new ATOM 0 HD2 PHE B 50 -7.341 9.103 3.008 1.00 1.63 H new ATOM 0 HE1 PHE B 50 -3.834 11.559 0.588 1.00 1.67 H new ATOM 0 HE2 PHE B 50 -4.976 8.637 3.476 1.00 2.10 H new ATOM 0 HZ PHE B 50 -3.215 9.865 2.266 1.00 1.80 H new ATOM 2431 N THR B 51 -11.277 11.541 1.740 1.00 0.36 N ATOM 2432 CA THR B 51 -12.612 11.675 1.177 1.00 0.40 C ATOM 2433 C THR B 51 -13.343 12.920 1.677 1.00 0.45 C ATOM 2434 O THR B 51 -14.035 13.594 0.913 1.00 0.53 O ATOM 2435 CB THR B 51 -13.444 10.430 1.513 1.00 0.39 C ATOM 2436 OG1 THR B 51 -12.836 9.270 0.933 1.00 0.39 O ATOM 2437 CG2 THR B 51 -14.874 10.570 1.019 1.00 0.49 C ATOM 0 H THR B 51 -11.148 10.698 2.300 1.00 0.36 H new ATOM 0 HA THR B 51 -12.493 11.777 0.098 1.00 0.40 H new ATOM 0 HB THR B 51 -13.473 10.323 2.597 1.00 0.39 H new ATOM 0 HG1 THR B 51 -12.765 8.565 1.610 1.00 0.39 H new ATOM 0 HG21 THR B 51 -15.436 9.671 1.273 1.00 0.49 H new ATOM 0 HG22 THR B 51 -15.339 11.435 1.492 1.00 0.49 H new ATOM 0 HG23 THR B 51 -14.874 10.704 -0.063 1.00 0.49 H new ATOM 2445 N LYS B 52 -13.183 13.229 2.953 1.00 0.47 N ATOM 2446 CA LYS B 52 -13.902 14.341 3.553 1.00 0.60 C ATOM 2447 C LYS B 52 -13.216 15.655 3.234 1.00 0.69 C ATOM 2448 O LYS B 52 -13.711 16.733 3.567 1.00 0.84 O ATOM 2449 CB LYS B 52 -13.990 14.156 5.059 1.00 0.70 C ATOM 2450 CG LYS B 52 -14.647 12.844 5.464 1.00 0.78 C ATOM 2451 CD LYS B 52 -16.094 12.768 5.008 1.00 1.07 C ATOM 2452 CE LYS B 52 -16.729 11.441 5.393 1.00 1.24 C ATOM 2453 NZ LYS B 52 -16.735 11.226 6.864 1.00 1.82 N ATOM 0 H LYS B 52 -12.565 12.728 3.591 1.00 0.47 H new ATOM 0 HA LYS B 52 -14.909 14.364 3.136 1.00 0.60 H new ATOM 0 HB2 LYS B 52 -12.987 14.199 5.483 1.00 0.70 H new ATOM 0 HB3 LYS B 52 -14.553 14.985 5.488 1.00 0.70 H new ATOM 0 HG2 LYS B 52 -14.088 12.012 5.037 1.00 0.78 H new ATOM 0 HG3 LYS B 52 -14.602 12.735 6.548 1.00 0.78 H new ATOM 0 HD2 LYS B 52 -16.660 13.586 5.452 1.00 1.07 H new ATOM 0 HD3 LYS B 52 -16.143 12.896 3.927 1.00 1.07 H new ATOM 0 HE2 LYS B 52 -17.752 11.408 5.019 1.00 1.24 H new ATOM 0 HE3 LYS B 52 -16.187 10.627 4.911 1.00 1.24 H new ATOM 0 HZ1 LYS B 52 -17.349 10.419 7.094 1.00 1.82 H new ATOM 0 HZ2 LYS B 52 -15.767 11.028 7.190 1.00 1.82 H new ATOM 0 HZ3 LYS B 52 -17.092 12.080 7.338 1.00 1.82 H new ATOM 2546 N GLY B 58 -18.721 12.632 -5.739 1.00 0.67 N ATOM 2547 CA GLY B 58 -18.295 12.205 -7.053 1.00 0.56 C ATOM 2548 C GLY B 58 -16.839 11.806 -7.074 1.00 0.49 C ATOM 2549 O GLY B 58 -16.382 11.156 -8.003 1.00 0.48 O ATOM 0 HA2 GLY B 58 -18.906 11.363 -7.376 1.00 0.56 H new ATOM 0 HA3 GLY B 58 -18.460 13.011 -7.767 1.00 0.56 H new ATOM 2553 N VAL B 59 -16.110 12.189 -6.037 1.00 0.52 N ATOM 2554 CA VAL B 59 -14.695 11.869 -5.943 1.00 0.52 C ATOM 2555 C VAL B 59 -14.469 10.373 -5.829 1.00 0.49 C ATOM 2556 O VAL B 59 -13.574 9.829 -6.468 1.00 0.49 O ATOM 2557 CB VAL B 59 -14.026 12.584 -4.751 1.00 0.61 C ATOM 2558 CG1 VAL B 59 -14.752 12.274 -3.447 1.00 0.65 C ATOM 2559 CG2 VAL B 59 -12.559 12.196 -4.648 1.00 0.66 C ATOM 0 H VAL B 59 -16.476 12.722 -5.248 1.00 0.52 H new ATOM 0 HA VAL B 59 -14.235 12.225 -6.865 1.00 0.52 H new ATOM 0 HB VAL B 59 -14.090 13.658 -4.926 1.00 0.61 H new ATOM 0 HG11 VAL B 59 -14.259 12.791 -2.624 1.00 0.65 H new ATOM 0 HG12 VAL B 59 -15.787 12.609 -3.518 1.00 0.65 H new ATOM 0 HG13 VAL B 59 -14.730 11.199 -3.265 1.00 0.65 H new ATOM 0 HG21 VAL B 59 -12.105 12.711 -3.801 1.00 0.66 H new ATOM 0 HG22 VAL B 59 -12.477 11.119 -4.504 1.00 0.66 H new ATOM 0 HG23 VAL B 59 -12.042 12.480 -5.565 1.00 0.66 H new ATOM 2569 N LEU B 60 -15.292 9.706 -5.041 1.00 0.48 N ATOM 2570 CA LEU B 60 -15.159 8.268 -4.869 1.00 0.46 C ATOM 2571 C LEU B 60 -15.483 7.580 -6.177 1.00 0.43 C ATOM 2572 O LEU B 60 -15.049 6.461 -6.443 1.00 0.41 O ATOM 2573 CB LEU B 60 -16.084 7.758 -3.770 1.00 0.48 C ATOM 2574 CG LEU B 60 -16.050 8.569 -2.476 1.00 0.52 C ATOM 2575 CD1 LEU B 60 -16.828 7.862 -1.382 1.00 0.51 C ATOM 2576 CD2 LEU B 60 -14.615 8.821 -2.049 1.00 0.52 C ATOM 0 H LEU B 60 -16.054 10.131 -4.513 1.00 0.48 H new ATOM 0 HA LEU B 60 -14.134 8.044 -4.575 1.00 0.46 H new ATOM 0 HB2 LEU B 60 -17.106 7.749 -4.150 1.00 0.48 H new ATOM 0 HB3 LEU B 60 -15.819 6.725 -3.542 1.00 0.48 H new ATOM 0 HG LEU B 60 -16.526 9.533 -2.656 1.00 0.52 H new ATOM 0 HD11 LEU B 60 -16.792 8.455 -0.468 1.00 0.51 H new ATOM 0 HD12 LEU B 60 -17.865 7.739 -1.694 1.00 0.51 H new ATOM 0 HD13 LEU B 60 -16.387 6.883 -1.196 1.00 0.51 H new ATOM 0 HD21 LEU B 60 -14.607 9.400 -1.126 1.00 0.52 H new ATOM 0 HD22 LEU B 60 -14.112 7.868 -1.885 1.00 0.52 H new ATOM 0 HD23 LEU B 60 -14.095 9.376 -2.830 1.00 0.52 H new ATOM 2588 N ASP B 61 -16.239 8.291 -6.992 1.00 0.46 N ATOM 2589 CA ASP B 61 -16.596 7.826 -8.320 1.00 0.46 C ATOM 2590 C ASP B 61 -15.391 7.956 -9.237 1.00 0.47 C ATOM 2591 O ASP B 61 -15.140 7.110 -10.093 1.00 0.51 O ATOM 2592 CB ASP B 61 -17.766 8.646 -8.865 1.00 0.47 C ATOM 2593 CG ASP B 61 -18.524 7.932 -9.969 1.00 0.48 C ATOM 2594 OD1 ASP B 61 -18.154 8.095 -11.154 1.00 1.22 O ATOM 2595 OD2 ASP B 61 -19.500 7.214 -9.657 1.00 1.19 O ATOM 0 H ASP B 61 -16.623 9.205 -6.753 1.00 0.46 H new ATOM 0 HA ASP B 61 -16.900 6.780 -8.270 1.00 0.46 H new ATOM 0 HB2 ASP B 61 -18.452 8.876 -8.050 1.00 0.47 H new ATOM 0 HB3 ASP B 61 -17.391 9.597 -9.245 1.00 0.47 H new ATOM 2600 N ARG B 62 -14.636 9.022 -9.020 1.00 0.47 N ATOM 2601 CA ARG B 62 -13.424 9.284 -9.778 1.00 0.51 C ATOM 2602 C ARG B 62 -12.331 8.301 -9.378 1.00 0.50 C ATOM 2603 O ARG B 62 -11.538 7.866 -10.214 1.00 0.56 O ATOM 2604 CB ARG B 62 -12.990 10.733 -9.551 1.00 0.55 C ATOM 2605 CG ARG B 62 -14.112 11.707 -9.858 1.00 0.55 C ATOM 2606 CD ARG B 62 -13.805 13.132 -9.445 1.00 0.62 C ATOM 2607 NE ARG B 62 -14.969 13.991 -9.667 1.00 1.45 N ATOM 2608 CZ ARG B 62 -15.589 14.688 -8.713 1.00 1.97 C ATOM 2609 NH1 ARG B 62 -15.048 14.821 -7.507 1.00 1.66 N ATOM 2610 NH2 ARG B 62 -16.736 15.293 -8.978 1.00 3.02 N ATOM 0 H ARG B 62 -14.846 9.728 -8.315 1.00 0.47 H new ATOM 0 HA ARG B 62 -13.615 9.145 -10.842 1.00 0.51 H new ATOM 0 HB2 ARG B 62 -12.670 10.860 -8.517 1.00 0.55 H new ATOM 0 HB3 ARG B 62 -12.129 10.958 -10.181 1.00 0.55 H new ATOM 0 HG2 ARG B 62 -14.320 11.684 -10.928 1.00 0.55 H new ATOM 0 HG3 ARG B 62 -15.018 11.377 -9.350 1.00 0.55 H new ATOM 0 HD2 ARG B 62 -13.521 13.159 -8.393 1.00 0.62 H new ATOM 0 HD3 ARG B 62 -12.955 13.507 -10.015 1.00 0.62 H new ATOM 0 HE ARG B 62 -15.332 14.062 -10.618 1.00 1.45 H new ATOM 0 HH11 ARG B 62 -14.148 14.388 -7.301 1.00 1.66 H new ATOM 0 HH12 ARG B 62 -15.533 15.357 -6.787 1.00 1.66 H new ATOM 0 HH21 ARG B 62 -17.145 15.226 -9.910 1.00 3.02 H new ATOM 0 HH22 ARG B 62 -17.211 15.826 -8.250 1.00 3.02 H new ATOM 2624 N MET B 63 -12.306 7.939 -8.098 1.00 0.45 N ATOM 2625 CA MET B 63 -11.411 6.889 -7.623 1.00 0.44 C ATOM 2626 C MET B 63 -11.818 5.576 -8.255 1.00 0.41 C ATOM 2627 O MET B 63 -10.987 4.850 -8.793 1.00 0.42 O ATOM 2628 CB MET B 63 -11.465 6.739 -6.102 1.00 0.43 C ATOM 2629 CG MET B 63 -11.430 8.057 -5.354 1.00 0.49 C ATOM 2630 SD MET B 63 -9.910 8.991 -5.633 1.00 0.63 S ATOM 2631 CE MET B 63 -8.681 7.885 -4.943 1.00 1.54 C ATOM 0 H MET B 63 -12.892 8.355 -7.375 1.00 0.45 H new ATOM 0 HA MET B 63 -10.393 7.162 -7.902 1.00 0.44 H new ATOM 0 HB2 MET B 63 -12.375 6.203 -5.832 1.00 0.43 H new ATOM 0 HB3 MET B 63 -10.625 6.125 -5.777 1.00 0.43 H new ATOM 0 HG2 MET B 63 -12.283 8.663 -5.659 1.00 0.49 H new ATOM 0 HG3 MET B 63 -11.541 7.865 -4.287 1.00 0.49 H new ATOM 0 HE1 MET B 63 -7.750 8.430 -4.783 1.00 1.54 H new ATOM 0 HE2 MET B 63 -9.039 7.491 -3.992 1.00 1.54 H new ATOM 0 HE3 MET B 63 -8.505 7.061 -5.634 1.00 1.54 H new ATOM 2641 N MET B 64 -13.120 5.299 -8.187 1.00 0.41 N ATOM 2642 CA MET B 64 -13.706 4.101 -8.766 1.00 0.42 C ATOM 2643 C MET B 64 -13.174 3.844 -10.155 1.00 0.44 C ATOM 2644 O MET B 64 -12.533 2.842 -10.394 1.00 0.41 O ATOM 2645 CB MET B 64 -15.228 4.231 -8.836 1.00 0.55 C ATOM 2646 CG MET B 64 -15.909 3.109 -9.606 1.00 0.65 C ATOM 2647 SD MET B 64 -17.605 3.519 -10.060 1.00 1.87 S ATOM 2648 CE MET B 64 -18.092 2.033 -10.934 1.00 2.41 C ATOM 0 H MET B 64 -13.797 5.906 -7.725 1.00 0.41 H new ATOM 0 HA MET B 64 -13.434 3.264 -8.123 1.00 0.42 H new ATOM 0 HB2 MET B 64 -15.627 4.257 -7.822 1.00 0.55 H new ATOM 0 HB3 MET B 64 -15.480 5.183 -9.302 1.00 0.55 H new ATOM 0 HG2 MET B 64 -15.337 2.891 -10.508 1.00 0.65 H new ATOM 0 HG3 MET B 64 -15.907 2.203 -9.000 1.00 0.65 H new ATOM 0 HE1 MET B 64 -18.983 2.236 -11.529 1.00 2.41 H new ATOM 0 HE2 MET B 64 -17.282 1.715 -11.591 1.00 2.41 H new ATOM 0 HE3 MET B 64 -18.308 1.242 -10.215 1.00 2.41 H new ATOM 2658 N LYS B 65 -13.403 4.779 -11.044 1.00 0.52 N ATOM 2659 CA LYS B 65 -13.155 4.557 -12.460 1.00 0.56 C ATOM 2660 C LYS B 65 -11.665 4.544 -12.778 1.00 0.54 C ATOM 2661 O LYS B 65 -11.242 3.983 -13.789 1.00 0.60 O ATOM 2662 CB LYS B 65 -13.889 5.620 -13.257 1.00 0.67 C ATOM 2663 CG LYS B 65 -15.345 5.728 -12.838 1.00 0.79 C ATOM 2664 CD LYS B 65 -16.131 4.470 -13.179 1.00 0.86 C ATOM 2665 CE LYS B 65 -16.226 4.252 -14.679 1.00 1.57 C ATOM 2666 NZ LYS B 65 -16.892 5.387 -15.367 1.00 2.49 N ATOM 0 H LYS B 65 -13.762 5.707 -10.818 1.00 0.52 H new ATOM 0 HA LYS B 65 -13.532 3.573 -12.739 1.00 0.56 H new ATOM 0 HB2 LYS B 65 -13.398 6.583 -13.119 1.00 0.67 H new ATOM 0 HB3 LYS B 65 -13.832 5.383 -14.319 1.00 0.67 H new ATOM 0 HG2 LYS B 65 -15.401 5.911 -11.765 1.00 0.79 H new ATOM 0 HG3 LYS B 65 -15.802 6.586 -13.332 1.00 0.79 H new ATOM 0 HD2 LYS B 65 -15.653 3.607 -12.716 1.00 0.86 H new ATOM 0 HD3 LYS B 65 -17.134 4.543 -12.758 1.00 0.86 H new ATOM 0 HE2 LYS B 65 -15.225 4.117 -15.089 1.00 1.57 H new ATOM 0 HE3 LYS B 65 -16.779 3.334 -14.877 1.00 1.57 H new ATOM 0 HZ1 LYS B 65 -17.164 5.099 -16.328 1.00 2.49 H new ATOM 0 HZ2 LYS B 65 -17.741 5.665 -14.835 1.00 2.49 H new ATOM 0 HZ3 LYS B 65 -16.237 6.193 -15.420 1.00 2.49 H new ATOM 2680 N LYS B 66 -10.878 5.162 -11.913 1.00 0.50 N ATOM 2681 CA LYS B 66 -9.429 5.101 -12.017 1.00 0.52 C ATOM 2682 C LYS B 66 -8.945 3.694 -11.695 1.00 0.48 C ATOM 2683 O LYS B 66 -8.144 3.106 -12.421 1.00 0.54 O ATOM 2684 CB LYS B 66 -8.790 6.080 -11.032 1.00 0.55 C ATOM 2685 CG LYS B 66 -7.271 6.001 -10.994 1.00 0.91 C ATOM 2686 CD LYS B 66 -6.718 6.364 -9.620 1.00 0.96 C ATOM 2687 CE LYS B 66 -7.203 7.724 -9.143 1.00 0.73 C ATOM 2688 NZ LYS B 66 -6.752 8.826 -10.032 1.00 1.47 N ATOM 0 H LYS B 66 -11.220 5.715 -11.127 1.00 0.50 H new ATOM 0 HA LYS B 66 -9.143 5.366 -13.035 1.00 0.52 H new ATOM 0 HB2 LYS B 66 -9.086 7.095 -11.297 1.00 0.55 H new ATOM 0 HB3 LYS B 66 -9.181 5.885 -10.033 1.00 0.55 H new ATOM 0 HG2 LYS B 66 -6.953 4.993 -11.259 1.00 0.91 H new ATOM 0 HG3 LYS B 66 -6.853 6.674 -11.743 1.00 0.91 H new ATOM 0 HD2 LYS B 66 -7.014 5.602 -8.899 1.00 0.96 H new ATOM 0 HD3 LYS B 66 -5.629 6.362 -9.657 1.00 0.96 H new ATOM 0 HE2 LYS B 66 -8.292 7.722 -9.094 1.00 0.73 H new ATOM 0 HE3 LYS B 66 -6.838 7.903 -8.132 1.00 0.73 H new ATOM 0 HZ1 LYS B 66 -7.078 9.736 -9.649 1.00 1.47 H new ATOM 0 HZ2 LYS B 66 -5.713 8.825 -10.087 1.00 1.47 H new ATOM 0 HZ3 LYS B 66 -7.149 8.689 -10.983 1.00 1.47 H new ATOM 2702 N LEU B 67 -9.462 3.163 -10.602 1.00 0.41 N ATOM 2703 CA LEU B 67 -8.985 1.912 -10.041 1.00 0.39 C ATOM 2704 C LEU B 67 -9.720 0.717 -10.623 1.00 0.40 C ATOM 2705 O LEU B 67 -9.183 -0.382 -10.671 1.00 0.46 O ATOM 2706 CB LEU B 67 -9.190 1.942 -8.545 1.00 0.34 C ATOM 2707 CG LEU B 67 -8.696 3.215 -7.857 1.00 0.33 C ATOM 2708 CD1 LEU B 67 -9.267 3.313 -6.457 1.00 0.30 C ATOM 2709 CD2 LEU B 67 -7.175 3.261 -7.823 1.00 0.37 C ATOM 0 H LEU B 67 -10.226 3.588 -10.077 1.00 0.41 H new ATOM 0 HA LEU B 67 -7.928 1.806 -10.287 1.00 0.39 H new ATOM 0 HB2 LEU B 67 -10.253 1.821 -8.335 1.00 0.34 H new ATOM 0 HB3 LEU B 67 -8.679 1.086 -8.105 1.00 0.34 H new ATOM 0 HG LEU B 67 -9.044 4.072 -8.434 1.00 0.33 H new ATOM 0 HD11 LEU B 67 -8.906 4.224 -5.980 1.00 0.30 H new ATOM 0 HD12 LEU B 67 -10.356 3.337 -6.509 1.00 0.30 H new ATOM 0 HD13 LEU B 67 -8.950 2.448 -5.874 1.00 0.30 H new ATOM 0 HD21 LEU B 67 -6.850 4.176 -7.329 1.00 0.37 H new ATOM 0 HD22 LEU B 67 -6.797 2.398 -7.275 1.00 0.37 H new ATOM 0 HD23 LEU B 67 -6.788 3.242 -8.842 1.00 0.37 H new ATOM 2721 N ASP B 68 -10.966 0.936 -11.021 1.00 0.39 N ATOM 2722 CA ASP B 68 -11.787 -0.095 -11.651 1.00 0.42 C ATOM 2723 C ASP B 68 -11.221 -0.414 -13.024 1.00 0.52 C ATOM 2724 O ASP B 68 -11.786 -0.085 -14.068 1.00 0.57 O ATOM 2725 CB ASP B 68 -13.241 0.378 -11.738 1.00 0.43 C ATOM 2726 CG ASP B 68 -14.149 -0.568 -12.500 1.00 0.46 C ATOM 2727 OD1 ASP B 68 -14.134 -1.789 -12.220 1.00 1.13 O ATOM 2728 OD2 ASP B 68 -14.882 -0.093 -13.393 1.00 1.23 O ATOM 0 H ASP B 68 -11.439 1.834 -10.917 1.00 0.39 H new ATOM 0 HA ASP B 68 -11.770 -1.005 -11.052 1.00 0.42 H new ATOM 0 HB2 ASP B 68 -13.632 0.508 -10.729 1.00 0.43 H new ATOM 0 HB3 ASP B 68 -13.267 1.356 -12.218 1.00 0.43 H new ATOM 2733 N THR B 69 -10.073 -1.039 -12.981 1.00 0.58 N ATOM 2734 CA THR B 69 -9.271 -1.322 -14.149 1.00 0.74 C ATOM 2735 C THR B 69 -9.922 -2.371 -15.049 1.00 0.83 C ATOM 2736 O THR B 69 -9.593 -2.486 -16.229 1.00 0.99 O ATOM 2737 CB THR B 69 -7.879 -1.783 -13.684 1.00 0.79 C ATOM 2738 OG1 THR B 69 -6.902 -1.562 -14.709 1.00 0.91 O ATOM 2739 CG2 THR B 69 -7.889 -3.258 -13.304 1.00 0.82 C ATOM 0 H THR B 69 -9.657 -1.375 -12.112 1.00 0.58 H new ATOM 0 HA THR B 69 -9.183 -0.415 -14.747 1.00 0.74 H new ATOM 0 HB THR B 69 -7.616 -1.194 -12.805 1.00 0.79 H new ATOM 0 HG1 THR B 69 -6.023 -1.860 -14.393 1.00 0.91 H new ATOM 0 HG21 THR B 69 -6.892 -3.557 -12.979 1.00 0.82 H new ATOM 0 HG22 THR B 69 -8.599 -3.420 -12.493 1.00 0.82 H new ATOM 0 HG23 THR B 69 -8.183 -3.854 -14.168 1.00 0.82 H new ATOM 2747 N ASN B 70 -10.857 -3.121 -14.491 1.00 0.80 N ATOM 2748 CA ASN B 70 -11.517 -4.183 -15.233 1.00 0.94 C ATOM 2749 C ASN B 70 -12.868 -3.712 -15.749 1.00 0.86 C ATOM 2750 O ASN B 70 -13.539 -4.403 -16.514 1.00 0.98 O ATOM 2751 CB ASN B 70 -11.674 -5.406 -14.335 1.00 1.00 C ATOM 2752 CG ASN B 70 -12.065 -6.663 -15.095 1.00 1.25 C ATOM 2753 OD1 ASN B 70 -11.209 -7.375 -15.616 1.00 1.46 O ATOM 2754 ND2 ASN B 70 -13.356 -6.958 -15.145 1.00 1.66 N ATOM 0 H ASN B 70 -11.176 -3.015 -13.528 1.00 0.80 H new ATOM 0 HA ASN B 70 -10.907 -4.453 -16.095 1.00 0.94 H new ATOM 0 HB2 ASN B 70 -10.736 -5.585 -13.809 1.00 1.00 H new ATOM 0 HB3 ASN B 70 -12.430 -5.198 -13.578 1.00 1.00 H new ATOM 0 HD21 ASN B 70 -13.668 -7.800 -15.628 1.00 1.66 H new ATOM 0 HD22 ASN B 70 -14.037 -6.343 -14.701 1.00 1.66 H new ATOM 2761 N SER B 71 -13.245 -2.510 -15.318 1.00 0.70 N ATOM 2762 CA SER B 71 -14.504 -1.891 -15.705 1.00 0.66 C ATOM 2763 C SER B 71 -15.685 -2.752 -15.263 1.00 0.61 C ATOM 2764 O SER B 71 -16.681 -2.884 -15.973 1.00 0.66 O ATOM 2765 CB SER B 71 -14.540 -1.637 -17.221 1.00 0.82 C ATOM 2766 OG SER B 71 -15.718 -0.946 -17.605 1.00 1.48 O ATOM 0 H SER B 71 -12.681 -1.939 -14.688 1.00 0.70 H new ATOM 0 HA SER B 71 -14.584 -0.928 -15.202 1.00 0.66 H new ATOM 0 HB2 SER B 71 -13.665 -1.057 -17.515 1.00 0.82 H new ATOM 0 HB3 SER B 71 -14.485 -2.588 -17.752 1.00 0.82 H new ATOM 0 HG SER B 71 -16.494 -1.355 -17.168 1.00 1.48 H new ATOM 2772 N ASP B 72 -15.572 -3.315 -14.070 1.00 0.58 N ATOM 2773 CA ASP B 72 -16.615 -4.175 -13.533 1.00 0.65 C ATOM 2774 C ASP B 72 -17.437 -3.406 -12.513 1.00 0.56 C ATOM 2775 O ASP B 72 -18.563 -3.777 -12.186 1.00 0.66 O ATOM 2776 CB ASP B 72 -16.000 -5.424 -12.890 1.00 0.80 C ATOM 2777 CG ASP B 72 -17.046 -6.405 -12.392 1.00 0.92 C ATOM 2778 OD1 ASP B 72 -17.685 -7.080 -13.226 1.00 1.53 O ATOM 2779 OD2 ASP B 72 -17.239 -6.507 -11.164 1.00 1.56 O ATOM 0 H ASP B 72 -14.768 -3.192 -13.455 1.00 0.58 H new ATOM 0 HA ASP B 72 -17.266 -4.494 -14.347 1.00 0.65 H new ATOM 0 HB2 ASP B 72 -15.358 -5.922 -13.616 1.00 0.80 H new ATOM 0 HB3 ASP B 72 -15.365 -5.123 -12.057 1.00 0.80 H new ATOM 2784 N GLY B 73 -16.871 -2.308 -12.034 1.00 0.45 N ATOM 2785 CA GLY B 73 -17.562 -1.475 -11.076 1.00 0.46 C ATOM 2786 C GLY B 73 -17.145 -1.775 -9.654 1.00 0.41 C ATOM 2787 O GLY B 73 -17.813 -1.369 -8.701 1.00 0.44 O ATOM 0 H GLY B 73 -15.941 -1.979 -12.294 1.00 0.45 H new ATOM 0 HA2 GLY B 73 -17.363 -0.427 -11.298 1.00 0.46 H new ATOM 0 HA3 GLY B 73 -18.637 -1.623 -11.177 1.00 0.46 H new ATOM 2791 N GLN B 74 -16.038 -2.488 -9.511 1.00 0.38 N ATOM 2792 CA GLN B 74 -15.527 -2.860 -8.207 1.00 0.37 C ATOM 2793 C GLN B 74 -14.017 -2.687 -8.187 1.00 0.36 C ATOM 2794 O GLN B 74 -13.378 -2.604 -9.237 1.00 0.39 O ATOM 2795 CB GLN B 74 -15.857 -4.316 -7.882 1.00 0.38 C ATOM 2796 CG GLN B 74 -17.313 -4.701 -8.045 1.00 0.41 C ATOM 2797 CD GLN B 74 -17.585 -6.112 -7.568 1.00 0.49 C ATOM 2798 OE1 GLN B 74 -16.933 -6.601 -6.653 1.00 1.02 O ATOM 2799 NE2 GLN B 74 -18.539 -6.782 -8.189 1.00 1.25 N ATOM 0 H GLN B 74 -15.474 -2.822 -10.293 1.00 0.38 H new ATOM 0 HA GLN B 74 -15.996 -2.217 -7.463 1.00 0.37 H new ATOM 0 HB2 GLN B 74 -15.254 -4.960 -8.522 1.00 0.38 H new ATOM 0 HB3 GLN B 74 -15.557 -4.519 -6.854 1.00 0.38 H new ATOM 0 HG2 GLN B 74 -17.937 -4.003 -7.486 1.00 0.41 H new ATOM 0 HG3 GLN B 74 -17.596 -4.612 -9.094 1.00 0.41 H new ATOM 0 HE21 GLN B 74 -19.061 -6.342 -8.947 1.00 1.25 H new ATOM 0 HE22 GLN B 74 -18.754 -7.740 -7.911 1.00 1.25 H new ATOM 2808 N LEU B 75 -13.449 -2.654 -6.999 1.00 0.33 N ATOM 2809 CA LEU B 75 -12.009 -2.502 -6.849 1.00 0.31 C ATOM 2810 C LEU B 75 -11.402 -3.730 -6.233 1.00 0.32 C ATOM 2811 O LEU B 75 -11.736 -4.109 -5.116 1.00 0.32 O ATOM 2812 CB LEU B 75 -11.679 -1.290 -5.994 1.00 0.31 C ATOM 2813 CG LEU B 75 -12.270 0.010 -6.514 1.00 0.32 C ATOM 2814 CD1 LEU B 75 -11.793 1.185 -5.680 1.00 0.35 C ATOM 2815 CD2 LEU B 75 -11.910 0.181 -7.981 1.00 0.35 C ATOM 0 H LEU B 75 -13.960 -2.730 -6.120 1.00 0.33 H new ATOM 0 HA LEU B 75 -11.588 -2.360 -7.844 1.00 0.31 H new ATOM 0 HB2 LEU B 75 -12.042 -1.463 -4.981 1.00 0.31 H new ATOM 0 HB3 LEU B 75 -10.596 -1.186 -5.931 1.00 0.31 H new ATOM 0 HG LEU B 75 -13.356 -0.026 -6.429 1.00 0.32 H new ATOM 0 HD11 LEU B 75 -12.227 2.107 -6.068 1.00 0.35 H new ATOM 0 HD12 LEU B 75 -12.103 1.046 -4.644 1.00 0.35 H new ATOM 0 HD13 LEU B 75 -10.706 1.248 -5.728 1.00 0.35 H new ATOM 0 HD21 LEU B 75 -12.334 1.113 -8.353 1.00 0.35 H new ATOM 0 HD22 LEU B 75 -10.826 0.207 -8.089 1.00 0.35 H new ATOM 0 HD23 LEU B 75 -12.312 -0.655 -8.554 1.00 0.35 H new ATOM 2827 N ASP B 76 -10.497 -4.341 -6.956 1.00 0.35 N ATOM 2828 CA ASP B 76 -9.923 -5.589 -6.511 1.00 0.36 C ATOM 2829 C ASP B 76 -8.661 -5.337 -5.724 1.00 0.33 C ATOM 2830 O ASP B 76 -8.264 -4.194 -5.519 1.00 0.32 O ATOM 2831 CB ASP B 76 -9.670 -6.524 -7.690 1.00 0.44 C ATOM 2832 CG ASP B 76 -8.363 -6.268 -8.410 1.00 0.91 C ATOM 2833 OD1 ASP B 76 -7.327 -6.824 -7.989 1.00 1.44 O ATOM 2834 OD2 ASP B 76 -8.378 -5.547 -9.425 1.00 1.68 O ATOM 0 H ASP B 76 -10.143 -3.999 -7.849 1.00 0.35 H new ATOM 0 HA ASP B 76 -10.637 -6.083 -5.851 1.00 0.36 H new ATOM 0 HB2 ASP B 76 -9.680 -7.554 -7.333 1.00 0.44 H new ATOM 0 HB3 ASP B 76 -10.490 -6.425 -8.401 1.00 0.44 H new ATOM 2839 N PHE B 77 -8.050 -6.414 -5.288 1.00 0.40 N ATOM 2840 CA PHE B 77 -6.934 -6.363 -4.372 1.00 0.49 C ATOM 2841 C PHE B 77 -5.816 -5.432 -4.833 1.00 0.39 C ATOM 2842 O PHE B 77 -5.350 -4.598 -4.062 1.00 0.38 O ATOM 2843 CB PHE B 77 -6.428 -7.777 -4.127 1.00 0.72 C ATOM 2844 CG PHE B 77 -6.199 -8.611 -5.364 1.00 1.75 C ATOM 2845 CD1 PHE B 77 -4.978 -8.598 -6.019 1.00 2.66 C ATOM 2846 CD2 PHE B 77 -7.206 -9.427 -5.855 1.00 2.56 C ATOM 2847 CE1 PHE B 77 -4.766 -9.379 -7.140 1.00 3.77 C ATOM 2848 CE2 PHE B 77 -7.002 -10.207 -6.976 1.00 3.67 C ATOM 2849 CZ PHE B 77 -5.781 -10.183 -7.621 1.00 4.14 C ATOM 0 H PHE B 77 -8.316 -7.360 -5.562 1.00 0.40 H new ATOM 0 HA PHE B 77 -7.288 -5.934 -3.434 1.00 0.49 H new ATOM 0 HB2 PHE B 77 -5.492 -7.718 -3.572 1.00 0.72 H new ATOM 0 HB3 PHE B 77 -7.144 -8.295 -3.489 1.00 0.72 H new ATOM 0 HD1 PHE B 77 -4.181 -7.970 -5.649 1.00 2.66 H new ATOM 0 HD2 PHE B 77 -8.163 -9.453 -5.354 1.00 2.56 H new ATOM 0 HE1 PHE B 77 -3.808 -9.360 -7.639 1.00 3.77 H new ATOM 0 HE2 PHE B 77 -7.797 -10.836 -7.348 1.00 3.67 H new ATOM 0 HZ PHE B 77 -5.620 -10.791 -8.499 1.00 4.14 H new ATOM 2859 N SER B 78 -5.408 -5.559 -6.080 1.00 0.38 N ATOM 2860 CA SER B 78 -4.346 -4.728 -6.620 1.00 0.38 C ATOM 2861 C SER B 78 -4.818 -3.298 -6.803 1.00 0.38 C ATOM 2862 O SER B 78 -4.070 -2.357 -6.572 1.00 0.44 O ATOM 2863 CB SER B 78 -3.855 -5.288 -7.956 1.00 0.44 C ATOM 2864 OG SER B 78 -4.912 -5.402 -8.890 1.00 1.32 O ATOM 0 H SER B 78 -5.796 -6.231 -6.742 1.00 0.38 H new ATOM 0 HA SER B 78 -3.521 -4.733 -5.908 1.00 0.38 H new ATOM 0 HB2 SER B 78 -3.079 -4.639 -8.361 1.00 0.44 H new ATOM 0 HB3 SER B 78 -3.401 -6.266 -7.797 1.00 0.44 H new ATOM 0 HG SER B 78 -5.020 -4.553 -9.367 1.00 1.32 H new ATOM 2870 N GLU B 79 -6.078 -3.135 -7.178 1.00 0.36 N ATOM 2871 CA GLU B 79 -6.586 -1.822 -7.540 1.00 0.42 C ATOM 2872 C GLU B 79 -6.914 -1.019 -6.297 1.00 0.33 C ATOM 2873 O GLU B 79 -6.784 0.205 -6.278 1.00 0.33 O ATOM 2874 CB GLU B 79 -7.798 -1.953 -8.450 1.00 0.51 C ATOM 2875 CG GLU B 79 -7.498 -2.736 -9.717 1.00 0.64 C ATOM 2876 CD GLU B 79 -6.187 -2.327 -10.370 1.00 1.81 C ATOM 2877 OE1 GLU B 79 -6.157 -1.298 -11.072 1.00 2.54 O ATOM 2878 OE2 GLU B 79 -5.179 -3.047 -10.191 1.00 2.57 O ATOM 0 H GLU B 79 -6.762 -3.889 -7.239 1.00 0.36 H new ATOM 0 HA GLU B 79 -5.812 -1.286 -8.089 1.00 0.42 H new ATOM 0 HB2 GLU B 79 -8.604 -2.445 -7.906 1.00 0.51 H new ATOM 0 HB3 GLU B 79 -8.155 -0.959 -8.718 1.00 0.51 H new ATOM 0 HG2 GLU B 79 -7.464 -3.800 -9.481 1.00 0.64 H new ATOM 0 HG3 GLU B 79 -8.312 -2.593 -10.428 1.00 0.64 H new ATOM 2885 N PHE B 80 -7.321 -1.720 -5.255 1.00 0.28 N ATOM 2886 CA PHE B 80 -7.457 -1.127 -3.939 1.00 0.25 C ATOM 2887 C PHE B 80 -6.098 -0.644 -3.459 1.00 0.23 C ATOM 2888 O PHE B 80 -5.979 0.362 -2.768 1.00 0.26 O ATOM 2889 CB PHE B 80 -8.008 -2.156 -2.956 1.00 0.31 C ATOM 2890 CG PHE B 80 -7.965 -1.699 -1.533 1.00 0.71 C ATOM 2891 CD1 PHE B 80 -8.891 -0.792 -1.058 1.00 1.26 C ATOM 2892 CD2 PHE B 80 -6.984 -2.170 -0.673 1.00 1.60 C ATOM 2893 CE1 PHE B 80 -8.841 -0.360 0.248 1.00 1.56 C ATOM 2894 CE2 PHE B 80 -6.932 -1.742 0.634 1.00 1.98 C ATOM 2895 CZ PHE B 80 -7.861 -0.834 1.094 1.00 1.64 C ATOM 0 H PHE B 80 -7.565 -2.710 -5.297 1.00 0.28 H new ATOM 0 HA PHE B 80 -8.147 -0.285 -3.996 1.00 0.25 H new ATOM 0 HB2 PHE B 80 -9.039 -2.389 -3.224 1.00 0.31 H new ATOM 0 HB3 PHE B 80 -7.438 -3.080 -3.051 1.00 0.31 H new ATOM 0 HD1 PHE B 80 -9.661 -0.418 -1.717 1.00 1.26 H new ATOM 0 HD2 PHE B 80 -6.254 -2.880 -1.033 1.00 1.60 H new ATOM 0 HE1 PHE B 80 -9.570 0.350 0.610 1.00 1.56 H new ATOM 0 HE2 PHE B 80 -6.166 -2.116 1.297 1.00 1.98 H new ATOM 0 HZ PHE B 80 -7.821 -0.493 2.118 1.00 1.64 H new ATOM 2905 N LEU B 81 -5.075 -1.379 -3.835 1.00 0.25 N ATOM 2906 CA LEU B 81 -3.721 -1.047 -3.452 1.00 0.26 C ATOM 2907 C LEU B 81 -3.139 0.009 -4.373 1.00 0.26 C ATOM 2908 O LEU B 81 -2.222 0.730 -3.998 1.00 0.27 O ATOM 2909 CB LEU B 81 -2.877 -2.303 -3.454 1.00 0.29 C ATOM 2910 CG LEU B 81 -3.283 -3.317 -2.385 1.00 0.28 C ATOM 2911 CD1 LEU B 81 -2.505 -4.601 -2.561 1.00 0.33 C ATOM 2912 CD2 LEU B 81 -3.096 -2.738 -0.978 1.00 0.29 C ATOM 0 H LEU B 81 -5.157 -2.217 -4.410 1.00 0.25 H new ATOM 0 HA LEU B 81 -3.727 -0.628 -2.446 1.00 0.26 H new ATOM 0 HB2 LEU B 81 -2.945 -2.775 -4.434 1.00 0.29 H new ATOM 0 HB3 LEU B 81 -1.833 -2.029 -3.304 1.00 0.29 H new ATOM 0 HG LEU B 81 -4.343 -3.542 -2.505 1.00 0.28 H new ATOM 0 HD11 LEU B 81 -2.803 -5.315 -1.794 1.00 0.33 H new ATOM 0 HD12 LEU B 81 -2.712 -5.019 -3.546 1.00 0.33 H new ATOM 0 HD13 LEU B 81 -1.438 -4.395 -2.471 1.00 0.33 H new ATOM 0 HD21 LEU B 81 -3.392 -3.480 -0.237 1.00 0.29 H new ATOM 0 HD22 LEU B 81 -2.049 -2.475 -0.829 1.00 0.29 H new ATOM 0 HD23 LEU B 81 -3.714 -1.847 -0.866 1.00 0.29 H new ATOM 2924 N ASN B 82 -3.668 0.089 -5.583 1.00 0.26 N ATOM 2925 CA ASN B 82 -3.371 1.205 -6.460 1.00 0.26 C ATOM 2926 C ASN B 82 -3.932 2.466 -5.843 1.00 0.23 C ATOM 2927 O ASN B 82 -3.326 3.535 -5.882 1.00 0.24 O ATOM 2928 CB ASN B 82 -3.993 0.996 -7.840 1.00 0.30 C ATOM 2929 CG ASN B 82 -3.147 0.124 -8.753 1.00 0.78 C ATOM 2930 OD1 ASN B 82 -3.148 0.306 -9.970 1.00 1.50 O ATOM 2931 ND2 ASN B 82 -2.420 -0.822 -8.183 1.00 1.42 N ATOM 0 H ASN B 82 -4.303 -0.604 -5.978 1.00 0.26 H new ATOM 0 HA ASN B 82 -2.291 1.284 -6.581 1.00 0.26 H new ATOM 0 HB2 ASN B 82 -4.976 0.541 -7.723 1.00 0.30 H new ATOM 0 HB3 ASN B 82 -4.145 1.966 -8.313 1.00 0.30 H new ATOM 0 HD21 ASN B 82 -1.835 -1.430 -8.756 1.00 1.42 H new ATOM 0 HD22 ASN B 82 -2.444 -0.944 -7.171 1.00 1.42 H new ATOM 2938 N LEU B 83 -5.120 2.311 -5.286 1.00 0.23 N ATOM 2939 CA LEU B 83 -5.751 3.335 -4.484 1.00 0.24 C ATOM 2940 C LEU B 83 -4.852 3.744 -3.334 1.00 0.23 C ATOM 2941 O LEU B 83 -4.500 4.912 -3.197 1.00 0.25 O ATOM 2942 CB LEU B 83 -7.056 2.794 -3.933 1.00 0.27 C ATOM 2943 CG LEU B 83 -7.575 3.532 -2.709 1.00 0.31 C ATOM 2944 CD1 LEU B 83 -8.081 4.913 -3.089 1.00 0.35 C ATOM 2945 CD2 LEU B 83 -8.647 2.721 -2.005 1.00 0.36 C ATOM 0 H LEU B 83 -5.676 1.461 -5.381 1.00 0.23 H new ATOM 0 HA LEU B 83 -5.937 4.209 -5.108 1.00 0.24 H new ATOM 0 HB2 LEU B 83 -7.813 2.837 -4.716 1.00 0.27 H new ATOM 0 HB3 LEU B 83 -6.921 1.743 -3.678 1.00 0.27 H new ATOM 0 HG LEU B 83 -6.749 3.663 -2.010 1.00 0.31 H new ATOM 0 HD11 LEU B 83 -8.448 5.424 -2.199 1.00 0.35 H new ATOM 0 HD12 LEU B 83 -7.268 5.490 -3.529 1.00 0.35 H new ATOM 0 HD13 LEU B 83 -8.891 4.817 -3.812 1.00 0.35 H new ATOM 0 HD21 LEU B 83 -9.003 3.269 -1.133 1.00 0.36 H new ATOM 0 HD22 LEU B 83 -9.478 2.546 -2.688 1.00 0.36 H new ATOM 0 HD23 LEU B 83 -8.231 1.765 -1.688 1.00 0.36 H new ATOM 2957 N ILE B 84 -4.503 2.764 -2.506 1.00 0.24 N ATOM 2958 CA ILE B 84 -3.587 2.968 -1.396 1.00 0.26 C ATOM 2959 C ILE B 84 -2.317 3.658 -1.881 1.00 0.27 C ATOM 2960 O ILE B 84 -1.766 4.526 -1.205 1.00 0.29 O ATOM 2961 CB ILE B 84 -3.244 1.618 -0.726 1.00 0.29 C ATOM 2962 CG1 ILE B 84 -4.480 1.028 -0.038 1.00 0.55 C ATOM 2963 CG2 ILE B 84 -2.095 1.768 0.266 1.00 0.47 C ATOM 2964 CD1 ILE B 84 -5.068 1.910 1.042 1.00 0.62 C ATOM 0 H ILE B 84 -4.849 1.808 -2.588 1.00 0.24 H new ATOM 0 HA ILE B 84 -4.071 3.607 -0.658 1.00 0.26 H new ATOM 0 HB ILE B 84 -2.921 0.930 -1.507 1.00 0.29 H new ATOM 0 HG12 ILE B 84 -5.244 0.836 -0.791 1.00 0.55 H new ATOM 0 HG13 ILE B 84 -4.214 0.065 0.399 1.00 0.55 H new ATOM 0 HG21 ILE B 84 -1.878 0.801 0.720 1.00 0.47 H new ATOM 0 HG22 ILE B 84 -1.209 2.131 -0.255 1.00 0.47 H new ATOM 0 HG23 ILE B 84 -2.376 2.479 1.043 1.00 0.47 H new ATOM 0 HD11 ILE B 84 -5.938 1.420 1.478 1.00 0.62 H new ATOM 0 HD12 ILE B 84 -4.322 2.082 1.818 1.00 0.62 H new ATOM 0 HD13 ILE B 84 -5.368 2.864 0.609 1.00 0.62 H new ATOM 2976 N GLY B 85 -1.890 3.284 -3.078 1.00 0.26 N ATOM 2977 CA GLY B 85 -0.765 3.928 -3.710 1.00 0.29 C ATOM 2978 C GLY B 85 -1.015 5.399 -3.960 1.00 0.28 C ATOM 2979 O GLY B 85 -0.206 6.232 -3.577 1.00 0.32 O ATOM 0 H GLY B 85 -2.312 2.535 -3.627 1.00 0.26 H new ATOM 0 HA2 GLY B 85 0.118 3.813 -3.081 1.00 0.29 H new ATOM 0 HA3 GLY B 85 -0.549 3.432 -4.656 1.00 0.29 H new ATOM 2983 N GLY B 86 -2.164 5.727 -4.547 1.00 0.27 N ATOM 2984 CA GLY B 86 -2.445 7.105 -4.917 1.00 0.30 C ATOM 2985 C GLY B 86 -2.655 7.961 -3.698 1.00 0.29 C ATOM 2986 O GLY B 86 -2.318 9.146 -3.674 1.00 0.34 O ATOM 0 H GLY B 86 -2.905 5.064 -4.773 1.00 0.27 H new ATOM 0 HA2 GLY B 86 -1.619 7.502 -5.506 1.00 0.30 H new ATOM 0 HA3 GLY B 86 -3.333 7.142 -5.548 1.00 0.30 H new ATOM 2990 N LEU B 87 -3.206 7.331 -2.685 1.00 0.25 N ATOM 2991 CA LEU B 87 -3.405 7.946 -1.392 1.00 0.25 C ATOM 2992 C LEU B 87 -2.061 8.252 -0.753 1.00 0.26 C ATOM 2993 O LEU B 87 -1.767 9.394 -0.392 1.00 0.29 O ATOM 2994 CB LEU B 87 -4.176 6.982 -0.504 1.00 0.25 C ATOM 2995 CG LEU B 87 -5.613 6.692 -0.922 1.00 0.26 C ATOM 2996 CD1 LEU B 87 -6.156 5.529 -0.120 1.00 0.26 C ATOM 2997 CD2 LEU B 87 -6.490 7.915 -0.733 1.00 0.35 C ATOM 0 H LEU B 87 -3.532 6.366 -2.736 1.00 0.25 H new ATOM 0 HA LEU B 87 -3.963 8.875 -1.511 1.00 0.25 H new ATOM 0 HB2 LEU B 87 -3.632 6.038 -0.468 1.00 0.25 H new ATOM 0 HB3 LEU B 87 -4.187 7.383 0.510 1.00 0.25 H new ATOM 0 HG LEU B 87 -5.619 6.432 -1.981 1.00 0.26 H new ATOM 0 HD11 LEU B 87 -7.183 5.326 -0.423 1.00 0.26 H new ATOM 0 HD12 LEU B 87 -5.544 4.645 -0.300 1.00 0.26 H new ATOM 0 HD13 LEU B 87 -6.133 5.777 0.941 1.00 0.26 H new ATOM 0 HD21 LEU B 87 -7.510 7.682 -1.038 1.00 0.35 H new ATOM 0 HD22 LEU B 87 -6.484 8.209 0.317 1.00 0.35 H new ATOM 0 HD23 LEU B 87 -6.107 8.735 -1.341 1.00 0.35 H new ATOM 3009 N ALA B 88 -1.242 7.217 -0.640 1.00 0.25 N ATOM 3010 CA ALA B 88 0.069 7.333 -0.027 1.00 0.27 C ATOM 3011 C ALA B 88 0.942 8.305 -0.780 1.00 0.29 C ATOM 3012 O ALA B 88 1.790 8.975 -0.201 1.00 0.35 O ATOM 3013 CB ALA B 88 0.768 5.994 0.000 1.00 0.26 C ATOM 0 H ALA B 88 -1.468 6.278 -0.969 1.00 0.25 H new ATOM 0 HA ALA B 88 -0.087 7.695 0.989 1.00 0.27 H new ATOM 0 HB1 ALA B 88 1.748 6.105 0.463 1.00 0.26 H new ATOM 0 HB2 ALA B 88 0.173 5.284 0.575 1.00 0.26 H new ATOM 0 HB3 ALA B 88 0.888 5.626 -1.019 1.00 0.26 H new ATOM 3019 N MET B 89 0.759 8.343 -2.084 1.00 0.29 N ATOM 3020 CA MET B 89 1.548 9.207 -2.930 1.00 0.32 C ATOM 3021 C MET B 89 1.281 10.662 -2.609 1.00 0.34 C ATOM 3022 O MET B 89 2.188 11.486 -2.653 1.00 0.39 O ATOM 3023 CB MET B 89 1.269 8.929 -4.400 1.00 0.34 C ATOM 3024 CG MET B 89 1.901 7.641 -4.895 1.00 0.42 C ATOM 3025 SD MET B 89 1.967 7.557 -6.695 1.00 1.03 S ATOM 3026 CE MET B 89 0.229 7.522 -7.117 1.00 1.89 C ATOM 0 H MET B 89 0.067 7.782 -2.580 1.00 0.29 H new ATOM 0 HA MET B 89 2.600 8.998 -2.735 1.00 0.32 H new ATOM 0 HB2 MET B 89 0.191 8.881 -4.556 1.00 0.34 H new ATOM 0 HB3 MET B 89 1.640 9.762 -4.998 1.00 0.34 H new ATOM 0 HG2 MET B 89 2.910 7.556 -4.493 1.00 0.42 H new ATOM 0 HG3 MET B 89 1.334 6.791 -4.515 1.00 0.42 H new ATOM 0 HE1 MET B 89 0.119 7.452 -8.199 1.00 1.89 H new ATOM 0 HE2 MET B 89 -0.242 6.658 -6.648 1.00 1.89 H new ATOM 0 HE3 MET B 89 -0.250 8.434 -6.762 1.00 1.89 H new ATOM 3036 N ALA B 90 0.039 10.963 -2.262 1.00 0.34 N ATOM 3037 CA ALA B 90 -0.335 12.313 -1.882 1.00 0.39 C ATOM 3038 C ALA B 90 0.332 12.690 -0.565 1.00 0.42 C ATOM 3039 O ALA B 90 0.841 13.796 -0.411 1.00 0.49 O ATOM 3040 CB ALA B 90 -1.846 12.427 -1.781 1.00 0.46 C ATOM 0 H ALA B 90 -0.726 10.289 -2.236 1.00 0.34 H new ATOM 0 HA ALA B 90 0.008 13.009 -2.648 1.00 0.39 H new ATOM 0 HB1 ALA B 90 -2.116 13.444 -1.495 1.00 0.46 H new ATOM 0 HB2 ALA B 90 -2.294 12.190 -2.746 1.00 0.46 H new ATOM 0 HB3 ALA B 90 -2.214 11.729 -1.029 1.00 0.46 H new ATOM 3046 N CYS B 91 0.351 11.747 0.371 1.00 0.41 N ATOM 3047 CA CYS B 91 1.003 11.949 1.661 1.00 0.47 C ATOM 3048 C CYS B 91 2.512 12.094 1.474 1.00 0.44 C ATOM 3049 O CYS B 91 3.138 12.970 2.069 1.00 0.51 O ATOM 3050 CB CYS B 91 0.681 10.786 2.601 1.00 0.55 C ATOM 3051 SG CYS B 91 1.411 10.930 4.250 1.00 1.76 S ATOM 0 H CYS B 91 -0.080 10.829 0.260 1.00 0.41 H new ATOM 0 HA CYS B 91 0.625 12.868 2.109 1.00 0.47 H new ATOM 0 HB2 CYS B 91 -0.401 10.706 2.702 1.00 0.55 H new ATOM 0 HB3 CYS B 91 1.027 9.859 2.144 1.00 0.55 H new ATOM 0 HG CYS B 91 2.321 11.858 4.242 1.00 1.76 H new ATOM 3057 N HIS B 92 3.090 11.237 0.634 1.00 0.41 N ATOM 3058 CA HIS B 92 4.496 11.358 0.264 1.00 0.46 C ATOM 3059 C HIS B 92 4.763 12.748 -0.292 1.00 0.45 C ATOM 3060 O HIS B 92 5.569 13.497 0.248 1.00 0.49 O ATOM 3061 CB HIS B 92 4.893 10.310 -0.789 1.00 0.54 C ATOM 3062 CG HIS B 92 5.207 8.949 -0.239 1.00 1.21 C ATOM 3063 ND1 HIS B 92 4.452 7.828 -0.519 1.00 2.12 N ATOM 3064 CD2 HIS B 92 6.233 8.522 0.536 1.00 1.96 C ATOM 3065 CE1 HIS B 92 4.997 6.774 0.061 1.00 2.74 C ATOM 3066 NE2 HIS B 92 6.078 7.167 0.707 1.00 2.62 N ATOM 0 H HIS B 92 2.605 10.452 0.198 1.00 0.41 H new ATOM 0 HA HIS B 92 5.092 11.190 1.161 1.00 0.46 H new ATOM 0 HB2 HIS B 92 4.082 10.216 -1.511 1.00 0.54 H new ATOM 0 HB3 HIS B 92 5.763 10.675 -1.334 1.00 0.54 H new ATOM 0 HD1 HIS B 92 3.604 7.816 -1.086 1.00 2.12 H new ATOM 0 HD2 HIS B 92 7.025 9.133 0.944 1.00 1.96 H new ATOM 0 HE1 HIS B 92 4.622 5.762 0.014 1.00 2.74 H new ATOM 3075 N ASP B 93 4.040 13.088 -1.349 1.00 0.45 N ATOM 3076 CA ASP B 93 4.208 14.358 -2.050 1.00 0.52 C ATOM 3077 C ASP B 93 3.988 15.544 -1.113 1.00 0.56 C ATOM 3078 O ASP B 93 4.572 16.613 -1.295 1.00 0.65 O ATOM 3079 CB ASP B 93 3.223 14.412 -3.211 1.00 0.54 C ATOM 3080 CG ASP B 93 3.402 15.627 -4.096 1.00 0.92 C ATOM 3081 OD1 ASP B 93 4.321 15.625 -4.938 1.00 1.74 O ATOM 3082 OD2 ASP B 93 2.610 16.583 -3.966 1.00 1.48 O ATOM 0 H ASP B 93 3.317 12.490 -1.748 1.00 0.45 H new ATOM 0 HA ASP B 93 5.230 14.423 -2.424 1.00 0.52 H new ATOM 0 HB2 ASP B 93 3.336 13.512 -3.815 1.00 0.54 H new ATOM 0 HB3 ASP B 93 2.207 14.406 -2.816 1.00 0.54 H new ATOM 3087 N SER B 94 3.142 15.349 -0.110 1.00 0.54 N ATOM 3088 CA SER B 94 2.928 16.353 0.923 1.00 0.60 C ATOM 3089 C SER B 94 4.236 16.654 1.635 1.00 0.63 C ATOM 3090 O SER B 94 4.638 17.806 1.771 1.00 0.70 O ATOM 3091 CB SER B 94 1.892 15.861 1.934 1.00 0.65 C ATOM 3092 OG SER B 94 0.610 15.736 1.339 1.00 1.26 O ATOM 0 H SER B 94 2.590 14.500 0.010 1.00 0.54 H new ATOM 0 HA SER B 94 2.558 17.264 0.452 1.00 0.60 H new ATOM 0 HB2 SER B 94 2.204 14.898 2.338 1.00 0.65 H new ATOM 0 HB3 SER B 94 1.840 16.556 2.772 1.00 0.65 H new ATOM 0 HG SER B 94 0.656 15.102 0.593 1.00 1.26 H new ATOM 3098 N PHE B 95 4.915 15.594 2.044 1.00 0.60 N ATOM 3099 CA PHE B 95 6.174 15.710 2.759 1.00 0.67 C ATOM 3100 C PHE B 95 7.288 16.168 1.837 1.00 0.73 C ATOM 3101 O PHE B 95 8.204 16.861 2.255 1.00 0.84 O ATOM 3102 CB PHE B 95 6.544 14.372 3.388 1.00 0.64 C ATOM 3103 CG PHE B 95 5.789 14.073 4.650 1.00 0.78 C ATOM 3104 CD1 PHE B 95 6.078 14.757 5.820 1.00 1.29 C ATOM 3105 CD2 PHE B 95 4.793 13.112 4.670 1.00 1.80 C ATOM 3106 CE1 PHE B 95 5.386 14.488 6.986 1.00 1.76 C ATOM 3107 CE2 PHE B 95 4.098 12.838 5.832 1.00 2.35 C ATOM 3108 CZ PHE B 95 4.394 13.528 6.992 1.00 2.07 C ATOM 0 H PHE B 95 4.610 14.633 1.890 1.00 0.60 H new ATOM 0 HA PHE B 95 6.048 16.457 3.542 1.00 0.67 H new ATOM 0 HB2 PHE B 95 6.358 13.577 2.666 1.00 0.64 H new ATOM 0 HB3 PHE B 95 7.613 14.364 3.603 1.00 0.64 H new ATOM 0 HD1 PHE B 95 6.853 15.509 5.821 1.00 1.29 H new ATOM 0 HD2 PHE B 95 4.556 12.570 3.766 1.00 1.80 H new ATOM 0 HE1 PHE B 95 5.621 15.028 7.891 1.00 1.76 H new ATOM 0 HE2 PHE B 95 3.324 12.085 5.834 1.00 2.35 H new ATOM 0 HZ PHE B 95 3.851 13.317 7.901 1.00 2.07 H new