USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=50 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 63 MET CE :methyl -164:sc= -0.0523 (180deg=-0.375) USER MOD Set 1.2: B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 63 MET CE :methyl -164:sc= -0.0509 (180deg=-0.364) USER MOD Set 2.2: A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 13 CYS SG : rot 68:sc= -4.09! USER MOD Set 3.2: B 13 CYS SG : rot -99:sc= -4.83! USER MOD Single : A 8 THR OG1 : rot -164:sc= -0.267 USER MOD Single : A 10 THR OG1 : rot 171:sc= -0.517 USER MOD Single : A 16 SER OG : rot 52:sc= 1.65 USER MOD Single : A 22 GLN : amide:sc= -0.497 X(o=-0.5,f=-0.93) USER MOD Single : A 23 LYS NZ :NH3+ -169:sc= 1.23 (180deg=1.22) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -16:sc= 0.755 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0352 USER MOD Single : A 36 LYS NZ :NH3+ -155:sc= 0.995 (180deg=0.475) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 169:sc= -0.71 (180deg=-0.941) USER MOD Single : A 44 ASN : amide:sc= -0.443 K(o=-0.44,f=-5.1!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -2.22! USER MOD Single : A 51 THR OG1 : rot 75:sc= -0.398 USER MOD Single : A 52 LYS NZ :NH3+ -112:sc= 0.181 (180deg=-0.0991) USER MOD Single : A 64 MET CE :methyl 141:sc= -2.43 (180deg=-8.28!) USER MOD Single : A 65 LYS NZ :NH3+ 160:sc= 1.2 (180deg=0.584) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -2.77! C(o=-2.8!,f=-5.7!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.0168 X(o=-0.017,f=-0.38) USER MOD Single : A 89 MET CE :methyl 179:sc= -1.01 (180deg=-1.13) USER MOD Single : A 91 CYS SG : rot 73:sc= 0.623 USER MOD Single : A 92 HIS : no HE2:sc= -1.95! K(o=-2!,f=-2.6) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : B 8 THR OG1 : rot -171:sc= -0.165 USER MOD Single : B 10 THR OG1 : rot 171:sc= -0.502 USER MOD Single : B 16 SER OG : rot 53:sc= 1.54 USER MOD Single : B 22 GLN : amide:sc= -0.475 X(o=-0.48,f=-0.83) USER MOD Single : B 23 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.22) USER MOD Single : B 24 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 THR OG1 : rot 10:sc= 0.821 USER MOD Single : B 35 SER OG : rot 180:sc= -0.0375 USER MOD Single : B 36 LYS NZ :NH3+ -154:sc= 0.969 (180deg=0.486) USER MOD Single : B 37 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 43 MET CE :methyl 168:sc= -0.706 (180deg=-0.93) USER MOD Single : B 44 ASN : amide:sc= -0.452 K(o=-0.45,f=-5.2!) USER MOD Single : B 45 THR OG1 : rot 180:sc= -2.27! USER MOD Single : B 51 THR OG1 : rot 77:sc= -0.4 USER MOD Single : B 52 LYS NZ :NH3+ -112:sc= 0.174 (180deg=-0.0888) USER MOD Single : B 64 MET CE :methyl 139:sc= -2.41 (180deg=-8.34!) USER MOD Single : B 65 LYS NZ :NH3+ 167:sc= 1.23 (180deg=0.627) USER MOD Single : B 69 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 ASN : amide:sc= -0.0037 X(o=-0.0037,f=-0.17) USER MOD Single : B 71 SER OG : rot 180:sc= 0 USER MOD Single : B 74 GLN : amide:sc= -2.83! C(o=-2.8!,f=-5.9!) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 82 ASN : amide:sc= -0.0214 X(o=-0.021,f=-0.37) USER MOD Single : B 89 MET CE :methyl -176:sc= -1.16 (180deg=-1.29) USER MOD Single : B 91 CYS SG : rot 73:sc= 0.608 USER MOD Single : B 92 HIS : no HE2:sc= -1.89 K(o=-1.9,f=-2.6) USER MOD Single : B 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N PRO A 7 -6.555 8.654 12.179 1.00 0.69 N ATOM 94 CA PRO A 7 -6.056 7.802 11.105 1.00 0.54 C ATOM 95 C PRO A 7 -6.717 6.435 11.149 1.00 0.44 C ATOM 96 O PRO A 7 -7.094 5.946 12.219 1.00 0.56 O ATOM 97 CB PRO A 7 -4.575 7.679 11.430 1.00 0.61 C ATOM 98 CG PRO A 7 -4.553 7.703 12.913 1.00 0.75 C ATOM 99 CD PRO A 7 -5.604 8.706 13.312 1.00 0.82 C ATOM 0 HA PRO A 7 -6.255 8.205 10.112 1.00 0.54 H new ATOM 0 HB2 PRO A 7 -4.151 6.756 11.035 1.00 0.61 H new ATOM 0 HB3 PRO A 7 -3.999 8.501 11.005 1.00 0.61 H new ATOM 0 HG2 PRO A 7 -4.773 6.718 13.325 1.00 0.75 H new ATOM 0 HG3 PRO A 7 -3.571 7.993 13.287 1.00 0.75 H new ATOM 0 HD2 PRO A 7 -6.082 8.437 14.254 1.00 0.82 H new ATOM 0 HD3 PRO A 7 -5.183 9.703 13.441 1.00 0.82 H new ATOM 107 N THR A 8 -6.881 5.836 9.998 1.00 0.34 N ATOM 108 CA THR A 8 -7.483 4.528 9.914 1.00 0.27 C ATOM 109 C THR A 8 -6.433 3.467 9.668 1.00 0.28 C ATOM 110 O THR A 8 -5.243 3.762 9.690 1.00 0.35 O ATOM 111 CB THR A 8 -8.481 4.479 8.776 1.00 0.28 C ATOM 112 OG1 THR A 8 -7.763 4.486 7.540 1.00 0.36 O ATOM 113 CG2 THR A 8 -9.422 5.669 8.846 1.00 0.32 C ATOM 0 H THR A 8 -6.605 6.235 9.101 1.00 0.34 H new ATOM 0 HA THR A 8 -7.984 4.336 10.863 1.00 0.27 H new ATOM 0 HB THR A 8 -9.080 3.571 8.850 1.00 0.28 H new ATOM 0 HG1 THR A 8 -8.376 4.704 6.807 1.00 0.36 H new ATOM 0 HG21 THR A 8 -10.133 5.619 8.021 1.00 0.32 H new ATOM 0 HG22 THR A 8 -9.962 5.651 9.793 1.00 0.32 H new ATOM 0 HG23 THR A 8 -8.847 6.592 8.774 1.00 0.32 H new ATOM 121 N GLU A 9 -6.876 2.255 9.380 1.00 0.28 N ATOM 122 CA GLU A 9 -5.974 1.140 9.158 1.00 0.33 C ATOM 123 C GLU A 9 -5.236 1.298 7.832 1.00 0.36 C ATOM 124 O GLU A 9 -4.058 0.952 7.717 1.00 0.52 O ATOM 125 CB GLU A 9 -6.767 -0.161 9.194 1.00 0.40 C ATOM 126 CG GLU A 9 -5.916 -1.407 9.112 1.00 0.56 C ATOM 127 CD GLU A 9 -6.553 -2.579 9.828 1.00 1.73 C ATOM 128 OE1 GLU A 9 -7.687 -2.965 9.468 1.00 2.47 O ATOM 129 OE2 GLU A 9 -5.925 -3.110 10.766 1.00 2.48 O ATOM 0 H GLU A 9 -7.864 2.018 9.294 1.00 0.28 H new ATOM 0 HA GLU A 9 -5.223 1.119 9.948 1.00 0.33 H new ATOM 0 HB2 GLU A 9 -7.350 -0.193 10.114 1.00 0.40 H new ATOM 0 HB3 GLU A 9 -7.477 -0.164 8.367 1.00 0.40 H new ATOM 0 HG2 GLU A 9 -5.754 -1.666 8.066 1.00 0.56 H new ATOM 0 HG3 GLU A 9 -4.937 -1.206 9.546 1.00 0.56 H new ATOM 136 N THR A 10 -5.915 1.854 6.844 1.00 0.26 N ATOM 137 CA THR A 10 -5.305 2.067 5.543 1.00 0.27 C ATOM 138 C THR A 10 -4.481 3.341 5.546 1.00 0.27 C ATOM 139 O THR A 10 -3.382 3.364 5.005 1.00 0.31 O ATOM 140 CB THR A 10 -6.345 2.084 4.392 1.00 0.27 C ATOM 141 OG1 THR A 10 -5.922 2.959 3.344 1.00 0.40 O ATOM 142 CG2 THR A 10 -7.719 2.499 4.887 1.00 0.25 C ATOM 0 H THR A 10 -6.884 2.165 6.917 1.00 0.26 H new ATOM 0 HA THR A 10 -4.646 1.219 5.356 1.00 0.27 H new ATOM 0 HB THR A 10 -6.416 1.068 4.003 1.00 0.27 H new ATOM 0 HG1 THR A 10 -6.511 2.849 2.568 1.00 0.40 H new ATOM 0 HG21 THR A 10 -8.421 2.500 4.053 1.00 0.25 H new ATOM 0 HG22 THR A 10 -8.059 1.796 5.648 1.00 0.25 H new ATOM 0 HG23 THR A 10 -7.664 3.500 5.316 1.00 0.25 H new ATOM 150 N GLU A 11 -4.973 4.382 6.202 1.00 0.25 N ATOM 151 CA GLU A 11 -4.220 5.622 6.277 1.00 0.27 C ATOM 152 C GLU A 11 -2.914 5.397 7.018 1.00 0.30 C ATOM 153 O GLU A 11 -1.862 5.834 6.571 1.00 0.32 O ATOM 154 CB GLU A 11 -5.016 6.716 6.967 1.00 0.29 C ATOM 155 CG GLU A 11 -6.371 6.949 6.340 1.00 0.41 C ATOM 156 CD GLU A 11 -7.245 7.881 7.151 1.00 1.11 C ATOM 157 OE1 GLU A 11 -6.858 8.221 8.287 1.00 1.85 O ATOM 158 OE2 GLU A 11 -8.326 8.274 6.660 1.00 1.71 O ATOM 0 H GLU A 11 -5.873 4.393 6.681 1.00 0.25 H new ATOM 0 HA GLU A 11 -4.011 5.944 5.257 1.00 0.27 H new ATOM 0 HB2 GLU A 11 -5.148 6.454 8.017 1.00 0.29 H new ATOM 0 HB3 GLU A 11 -4.445 7.644 6.940 1.00 0.29 H new ATOM 0 HG2 GLU A 11 -6.237 7.363 5.341 1.00 0.41 H new ATOM 0 HG3 GLU A 11 -6.880 5.992 6.223 1.00 0.41 H new ATOM 165 N ARG A 12 -2.983 4.682 8.133 1.00 0.35 N ATOM 166 CA ARG A 12 -1.786 4.397 8.911 1.00 0.42 C ATOM 167 C ARG A 12 -0.856 3.491 8.120 1.00 0.43 C ATOM 168 O ARG A 12 0.359 3.602 8.226 1.00 0.47 O ATOM 169 CB ARG A 12 -2.120 3.805 10.295 1.00 0.48 C ATOM 170 CG ARG A 12 -2.816 2.448 10.294 1.00 0.49 C ATOM 171 CD ARG A 12 -1.858 1.309 10.024 1.00 0.56 C ATOM 172 NE ARG A 12 -2.464 0.009 10.299 1.00 1.08 N ATOM 173 CZ ARG A 12 -2.484 -0.567 11.499 1.00 1.35 C ATOM 174 NH1 ARG A 12 -1.915 0.033 12.537 1.00 1.86 N ATOM 175 NH2 ARG A 12 -3.070 -1.748 11.660 1.00 1.95 N ATOM 0 H ARG A 12 -3.845 4.293 8.515 1.00 0.35 H new ATOM 0 HA ARG A 12 -1.272 5.340 9.100 1.00 0.42 H new ATOM 0 HB2 ARG A 12 -1.194 3.715 10.862 1.00 0.48 H new ATOM 0 HB3 ARG A 12 -2.753 4.515 10.828 1.00 0.48 H new ATOM 0 HG2 ARG A 12 -3.301 2.291 11.257 1.00 0.49 H new ATOM 0 HG3 ARG A 12 -3.601 2.446 9.538 1.00 0.49 H new ATOM 0 HD2 ARG A 12 -1.535 1.346 8.984 1.00 0.56 H new ATOM 0 HD3 ARG A 12 -0.967 1.431 10.639 1.00 0.56 H new ATOM 0 HE ARG A 12 -2.899 -0.489 9.523 1.00 1.08 H new ATOM 0 HH11 ARG A 12 -1.461 0.938 12.417 1.00 1.86 H new ATOM 0 HH12 ARG A 12 -1.932 -0.411 13.455 1.00 1.86 H new ATOM 0 HH21 ARG A 12 -3.505 -2.214 10.864 1.00 1.95 H new ATOM 0 HH22 ARG A 12 -3.085 -2.189 12.580 1.00 1.95 H new ATOM 189 N CYS A 13 -1.439 2.608 7.313 1.00 0.42 N ATOM 190 CA CYS A 13 -0.665 1.773 6.406 1.00 0.44 C ATOM 191 C CYS A 13 0.096 2.661 5.447 1.00 0.30 C ATOM 192 O CYS A 13 1.288 2.484 5.202 1.00 0.29 O ATOM 193 CB CYS A 13 -1.591 0.844 5.612 1.00 0.57 C ATOM 194 SG CYS A 13 -1.353 0.927 3.822 1.00 2.16 S ATOM 0 H CYS A 13 -2.446 2.454 7.271 1.00 0.42 H new ATOM 0 HA CYS A 13 0.029 1.164 6.986 1.00 0.44 H new ATOM 0 HB2 CYS A 13 -1.430 -0.182 5.943 1.00 0.57 H new ATOM 0 HB3 CYS A 13 -2.626 1.095 5.843 1.00 0.57 H new ATOM 0 HG CYS A 13 -0.191 0.431 3.515 1.00 2.16 H new ATOM 200 N ILE A 14 -0.623 3.627 4.930 1.00 0.26 N ATOM 201 CA ILE A 14 -0.100 4.557 3.971 1.00 0.24 C ATOM 202 C ILE A 14 1.006 5.411 4.576 1.00 0.21 C ATOM 203 O ILE A 14 2.040 5.643 3.948 1.00 0.23 O ATOM 204 CB ILE A 14 -1.245 5.435 3.451 1.00 0.24 C ATOM 205 CG1 ILE A 14 -2.158 4.608 2.543 1.00 0.25 C ATOM 206 CG2 ILE A 14 -0.715 6.660 2.737 1.00 0.27 C ATOM 207 CD1 ILE A 14 -3.421 5.333 2.152 1.00 0.27 C ATOM 0 H ILE A 14 -1.601 3.788 5.170 1.00 0.26 H new ATOM 0 HA ILE A 14 0.339 4.003 3.141 1.00 0.24 H new ATOM 0 HB ILE A 14 -1.830 5.790 4.300 1.00 0.24 H new ATOM 0 HG12 ILE A 14 -1.611 4.333 1.641 1.00 0.25 H new ATOM 0 HG13 ILE A 14 -2.422 3.680 3.051 1.00 0.25 H new ATOM 0 HG21 ILE A 14 -1.550 7.263 2.380 1.00 0.27 H new ATOM 0 HG22 ILE A 14 -0.111 7.250 3.426 1.00 0.27 H new ATOM 0 HG23 ILE A 14 -0.102 6.351 1.890 1.00 0.27 H new ATOM 0 HD11 ILE A 14 -4.024 4.692 1.509 1.00 0.27 H new ATOM 0 HD12 ILE A 14 -3.988 5.584 3.048 1.00 0.27 H new ATOM 0 HD13 ILE A 14 -3.165 6.247 1.616 1.00 0.27 H new ATOM 219 N GLU A 15 0.806 5.833 5.813 1.00 0.24 N ATOM 220 CA GLU A 15 1.767 6.672 6.490 1.00 0.28 C ATOM 221 C GLU A 15 2.953 5.831 6.907 1.00 0.30 C ATOM 222 O GLU A 15 4.044 6.340 7.135 1.00 0.34 O ATOM 223 CB GLU A 15 1.142 7.337 7.709 1.00 0.32 C ATOM 224 CG GLU A 15 -0.131 8.111 7.403 1.00 0.33 C ATOM 225 CD GLU A 15 -0.655 8.849 8.617 1.00 0.38 C ATOM 226 OE1 GLU A 15 -0.982 8.192 9.629 1.00 1.06 O ATOM 227 OE2 GLU A 15 -0.709 10.093 8.581 1.00 1.26 O ATOM 0 H GLU A 15 -0.019 5.604 6.367 1.00 0.24 H new ATOM 0 HA GLU A 15 2.094 7.457 5.809 1.00 0.28 H new ATOM 0 HB2 GLU A 15 0.921 6.573 8.454 1.00 0.32 H new ATOM 0 HB3 GLU A 15 1.870 8.015 8.154 1.00 0.32 H new ATOM 0 HG2 GLU A 15 0.063 8.824 6.602 1.00 0.33 H new ATOM 0 HG3 GLU A 15 -0.895 7.423 7.040 1.00 0.33 H new ATOM 234 N SER A 16 2.719 4.532 7.004 1.00 0.31 N ATOM 235 CA SER A 16 3.778 3.591 7.277 1.00 0.38 C ATOM 236 C SER A 16 4.723 3.520 6.095 1.00 0.29 C ATOM 237 O SER A 16 5.936 3.570 6.252 1.00 0.28 O ATOM 238 CB SER A 16 3.203 2.210 7.578 1.00 0.54 C ATOM 239 OG SER A 16 2.479 2.213 8.793 1.00 0.97 O ATOM 0 H SER A 16 1.797 4.110 6.896 1.00 0.31 H new ATOM 0 HA SER A 16 4.331 3.931 8.153 1.00 0.38 H new ATOM 0 HB2 SER A 16 2.550 1.899 6.763 1.00 0.54 H new ATOM 0 HB3 SER A 16 4.011 1.481 7.635 1.00 0.54 H new ATOM 0 HG SER A 16 1.828 2.946 8.784 1.00 0.97 H new ATOM 245 N LEU A 17 4.151 3.426 4.906 1.00 0.27 N ATOM 246 CA LEU A 17 4.934 3.427 3.686 1.00 0.28 C ATOM 247 C LEU A 17 5.636 4.757 3.538 1.00 0.27 C ATOM 248 O LEU A 17 6.786 4.816 3.130 1.00 0.32 O ATOM 249 CB LEU A 17 4.029 3.173 2.495 1.00 0.29 C ATOM 250 CG LEU A 17 3.137 1.951 2.661 1.00 0.33 C ATOM 251 CD1 LEU A 17 2.113 1.854 1.543 1.00 0.33 C ATOM 252 CD2 LEU A 17 3.993 0.695 2.731 1.00 0.46 C ATOM 0 H LEU A 17 3.144 3.348 4.762 1.00 0.27 H new ATOM 0 HA LEU A 17 5.682 2.635 3.732 1.00 0.28 H new ATOM 0 HB2 LEU A 17 3.403 4.050 2.330 1.00 0.29 H new ATOM 0 HB3 LEU A 17 4.642 3.047 1.603 1.00 0.29 H new ATOM 0 HG LEU A 17 2.583 2.052 3.594 1.00 0.33 H new ATOM 0 HD11 LEU A 17 1.493 0.970 1.693 1.00 0.33 H new ATOM 0 HD12 LEU A 17 1.483 2.744 1.548 1.00 0.33 H new ATOM 0 HD13 LEU A 17 2.627 1.778 0.585 1.00 0.33 H new ATOM 0 HD21 LEU A 17 3.350 -0.177 2.850 1.00 0.46 H new ATOM 0 HD22 LEU A 17 4.571 0.597 1.812 1.00 0.46 H new ATOM 0 HD23 LEU A 17 4.672 0.764 3.581 1.00 0.46 H new ATOM 264 N ILE A 18 4.931 5.825 3.893 1.00 0.27 N ATOM 265 CA ILE A 18 5.530 7.145 3.934 1.00 0.30 C ATOM 266 C ILE A 18 6.742 7.140 4.853 1.00 0.28 C ATOM 267 O ILE A 18 7.797 7.665 4.504 1.00 0.30 O ATOM 268 CB ILE A 18 4.523 8.217 4.420 1.00 0.36 C ATOM 269 CG1 ILE A 18 3.404 8.403 3.392 1.00 0.63 C ATOM 270 CG2 ILE A 18 5.237 9.538 4.683 1.00 0.47 C ATOM 271 CD1 ILE A 18 2.349 9.399 3.818 1.00 1.37 C ATOM 0 H ILE A 18 3.946 5.798 4.155 1.00 0.27 H new ATOM 0 HA ILE A 18 5.834 7.398 2.918 1.00 0.30 H new ATOM 0 HB ILE A 18 4.077 7.877 5.355 1.00 0.36 H new ATOM 0 HG12 ILE A 18 3.840 8.730 2.448 1.00 0.63 H new ATOM 0 HG13 ILE A 18 2.929 7.440 3.207 1.00 0.63 H new ATOM 0 HG21 ILE A 18 4.515 10.280 5.024 1.00 0.47 H new ATOM 0 HG22 ILE A 18 5.998 9.394 5.450 1.00 0.47 H new ATOM 0 HG23 ILE A 18 5.709 9.886 3.764 1.00 0.47 H new ATOM 0 HD11 ILE A 18 1.589 9.479 3.041 1.00 1.37 H new ATOM 0 HD12 ILE A 18 1.885 9.064 4.746 1.00 1.37 H new ATOM 0 HD13 ILE A 18 2.811 10.374 3.975 1.00 1.37 H new ATOM 283 N ALA A 19 6.579 6.515 6.011 1.00 0.25 N ATOM 284 CA ALA A 19 7.627 6.451 7.013 1.00 0.25 C ATOM 285 C ALA A 19 8.817 5.631 6.530 1.00 0.23 C ATOM 286 O ALA A 19 9.922 6.161 6.421 1.00 0.28 O ATOM 287 CB ALA A 19 7.075 5.885 8.311 1.00 0.28 C ATOM 0 H ALA A 19 5.717 6.040 6.279 1.00 0.25 H new ATOM 0 HA ALA A 19 7.983 7.465 7.193 1.00 0.25 H new ATOM 0 HB1 ALA A 19 7.870 5.841 9.056 1.00 0.28 H new ATOM 0 HB2 ALA A 19 6.272 6.526 8.675 1.00 0.28 H new ATOM 0 HB3 ALA A 19 6.687 4.882 8.135 1.00 0.28 H new ATOM 293 N VAL A 20 8.598 4.347 6.219 1.00 0.20 N ATOM 294 CA VAL A 20 9.695 3.470 5.814 1.00 0.22 C ATOM 295 C VAL A 20 10.344 3.996 4.547 1.00 0.23 C ATOM 296 O VAL A 20 11.565 3.976 4.415 1.00 0.27 O ATOM 297 CB VAL A 20 9.263 1.989 5.613 1.00 0.27 C ATOM 298 CG1 VAL A 20 8.193 1.619 6.604 1.00 0.87 C ATOM 299 CG2 VAL A 20 8.786 1.705 4.194 1.00 0.87 C ATOM 0 H VAL A 20 7.681 3.900 6.241 1.00 0.20 H new ATOM 0 HA VAL A 20 10.412 3.476 6.635 1.00 0.22 H new ATOM 0 HB VAL A 20 10.147 1.374 5.783 1.00 0.27 H new ATOM 0 HG11 VAL A 20 7.900 0.580 6.452 1.00 0.87 H new ATOM 0 HG12 VAL A 20 8.576 1.744 7.617 1.00 0.87 H new ATOM 0 HG13 VAL A 20 7.327 2.265 6.462 1.00 0.87 H new ATOM 0 HG21 VAL A 20 8.497 0.657 4.110 1.00 0.87 H new ATOM 0 HG22 VAL A 20 7.928 2.337 3.965 1.00 0.87 H new ATOM 0 HG23 VAL A 20 9.591 1.917 3.490 1.00 0.87 H new ATOM 309 N PHE A 21 9.534 4.501 3.626 1.00 0.23 N ATOM 310 CA PHE A 21 10.089 5.059 2.404 1.00 0.25 C ATOM 311 C PHE A 21 10.941 6.276 2.728 1.00 0.29 C ATOM 312 O PHE A 21 11.998 6.460 2.160 1.00 0.35 O ATOM 313 CB PHE A 21 8.997 5.432 1.402 1.00 0.26 C ATOM 314 CG PHE A 21 9.534 5.962 0.105 1.00 0.91 C ATOM 315 CD1 PHE A 21 9.996 5.094 -0.869 1.00 1.85 C ATOM 316 CD2 PHE A 21 9.588 7.325 -0.136 1.00 1.59 C ATOM 317 CE1 PHE A 21 10.500 5.576 -2.060 1.00 2.48 C ATOM 318 CE2 PHE A 21 10.093 7.810 -1.324 1.00 2.17 C ATOM 319 CZ PHE A 21 10.549 6.936 -2.288 1.00 2.40 C ATOM 0 H PHE A 21 8.517 4.536 3.698 1.00 0.23 H new ATOM 0 HA PHE A 21 10.711 4.292 1.942 1.00 0.25 H new ATOM 0 HB2 PHE A 21 8.383 4.554 1.201 1.00 0.26 H new ATOM 0 HB3 PHE A 21 8.344 6.181 1.850 1.00 0.26 H new ATOM 0 HD1 PHE A 21 9.962 4.029 -0.695 1.00 1.85 H new ATOM 0 HD2 PHE A 21 9.231 8.015 0.614 1.00 1.59 H new ATOM 0 HE1 PHE A 21 10.856 4.889 -2.813 1.00 2.48 H new ATOM 0 HE2 PHE A 21 10.131 8.875 -1.499 1.00 2.17 H new ATOM 0 HZ PHE A 21 10.944 7.315 -3.219 1.00 2.40 H new ATOM 329 N GLN A 22 10.500 7.087 3.671 1.00 0.30 N ATOM 330 CA GLN A 22 11.222 8.298 4.011 1.00 0.37 C ATOM 331 C GLN A 22 12.542 7.948 4.670 1.00 0.36 C ATOM 332 O GLN A 22 13.601 8.392 4.243 1.00 0.44 O ATOM 333 CB GLN A 22 10.376 9.170 4.948 1.00 0.47 C ATOM 334 CG GLN A 22 10.721 10.652 4.934 1.00 1.12 C ATOM 335 CD GLN A 22 12.083 10.984 5.528 1.00 1.98 C ATOM 336 OE1 GLN A 22 13.088 11.038 4.821 1.00 2.68 O ATOM 337 NE2 GLN A 22 12.124 11.208 6.832 1.00 2.66 N ATOM 0 H GLN A 22 9.650 6.931 4.213 1.00 0.30 H new ATOM 0 HA GLN A 22 11.423 8.858 3.098 1.00 0.37 H new ATOM 0 HB2 GLN A 22 9.326 9.054 4.678 1.00 0.47 H new ATOM 0 HB3 GLN A 22 10.487 8.796 5.966 1.00 0.47 H new ATOM 0 HG2 GLN A 22 10.689 11.011 3.905 1.00 1.12 H new ATOM 0 HG3 GLN A 22 9.955 11.197 5.485 1.00 1.12 H new ATOM 0 HE21 GLN A 22 11.269 11.154 7.386 1.00 2.66 H new ATOM 0 HE22 GLN A 22 13.010 11.434 7.283 1.00 2.66 H new ATOM 346 N LYS A 23 12.471 7.122 5.692 1.00 0.35 N ATOM 347 CA LYS A 23 13.643 6.804 6.477 1.00 0.39 C ATOM 348 C LYS A 23 14.669 6.005 5.667 1.00 0.40 C ATOM 349 O LYS A 23 15.873 6.188 5.834 1.00 0.49 O ATOM 350 CB LYS A 23 13.234 6.064 7.760 1.00 0.41 C ATOM 351 CG LYS A 23 12.461 4.785 7.526 1.00 0.42 C ATOM 352 CD LYS A 23 11.455 4.551 8.645 1.00 0.63 C ATOM 353 CE LYS A 23 11.468 3.120 9.136 1.00 0.63 C ATOM 354 NZ LYS A 23 10.423 2.874 10.169 1.00 0.91 N ATOM 0 H LYS A 23 11.615 6.659 5.998 1.00 0.35 H new ATOM 0 HA LYS A 23 14.128 7.738 6.759 1.00 0.39 H new ATOM 0 HB2 LYS A 23 14.132 5.832 8.332 1.00 0.41 H new ATOM 0 HB3 LYS A 23 12.629 6.732 8.373 1.00 0.41 H new ATOM 0 HG2 LYS A 23 11.942 4.838 6.569 1.00 0.42 H new ATOM 0 HG3 LYS A 23 13.151 3.943 7.468 1.00 0.42 H new ATOM 0 HD2 LYS A 23 11.677 5.220 9.476 1.00 0.63 H new ATOM 0 HD3 LYS A 23 10.455 4.803 8.291 1.00 0.63 H new ATOM 0 HE2 LYS A 23 11.310 2.446 8.294 1.00 0.63 H new ATOM 0 HE3 LYS A 23 12.449 2.888 9.551 1.00 0.63 H new ATOM 0 HZ1 LYS A 23 10.583 1.946 10.611 1.00 0.91 H new ATOM 0 HZ2 LYS A 23 10.472 3.617 10.896 1.00 0.91 H new ATOM 0 HZ3 LYS A 23 9.484 2.887 9.723 1.00 0.91 H new ATOM 368 N TYR A 24 14.207 5.125 4.788 1.00 0.36 N ATOM 369 CA TYR A 24 15.124 4.294 4.022 1.00 0.39 C ATOM 370 C TYR A 24 15.566 4.950 2.722 1.00 0.34 C ATOM 371 O TYR A 24 16.744 4.915 2.382 1.00 0.40 O ATOM 372 CB TYR A 24 14.530 2.907 3.800 1.00 0.46 C ATOM 373 CG TYR A 24 14.314 2.209 5.124 1.00 0.86 C ATOM 374 CD1 TYR A 24 15.363 2.078 6.024 1.00 1.52 C ATOM 375 CD2 TYR A 24 13.068 1.735 5.502 1.00 1.67 C ATOM 376 CE1 TYR A 24 15.183 1.485 7.253 1.00 1.83 C ATOM 377 CE2 TYR A 24 12.878 1.151 6.737 1.00 1.99 C ATOM 378 CZ TYR A 24 13.939 1.026 7.606 1.00 1.72 C ATOM 379 OH TYR A 24 13.753 0.451 8.841 1.00 2.15 O ATOM 0 H TYR A 24 13.218 4.970 4.590 1.00 0.36 H new ATOM 0 HA TYR A 24 16.033 4.179 4.612 1.00 0.39 H new ATOM 0 HB2 TYR A 24 13.583 2.991 3.267 1.00 0.46 H new ATOM 0 HB3 TYR A 24 15.197 2.315 3.174 1.00 0.46 H new ATOM 0 HD1 TYR A 24 16.341 2.449 5.754 1.00 1.52 H new ATOM 0 HD2 TYR A 24 12.235 1.824 4.821 1.00 1.67 H new ATOM 0 HE1 TYR A 24 16.015 1.382 7.934 1.00 1.83 H new ATOM 0 HE2 TYR A 24 11.900 0.793 7.022 1.00 1.99 H new ATOM 0 HH TYR A 24 12.816 0.179 8.938 1.00 2.15 H new ATOM 389 N ALA A 25 14.638 5.569 2.016 1.00 0.29 N ATOM 390 CA ALA A 25 14.958 6.230 0.758 1.00 0.34 C ATOM 391 C ALA A 25 15.642 7.564 1.010 1.00 0.47 C ATOM 392 O ALA A 25 16.269 8.142 0.120 1.00 0.58 O ATOM 393 CB ALA A 25 13.698 6.424 -0.062 1.00 0.37 C ATOM 0 H ALA A 25 13.657 5.630 2.289 1.00 0.29 H new ATOM 0 HA ALA A 25 15.647 5.598 0.198 1.00 0.34 H new ATOM 0 HB1 ALA A 25 13.947 6.919 -1.001 1.00 0.37 H new ATOM 0 HB2 ALA A 25 13.247 5.454 -0.272 1.00 0.37 H new ATOM 0 HB3 ALA A 25 12.992 7.039 0.496 1.00 0.37 H new ATOM 399 N GLY A 26 15.523 8.045 2.241 1.00 0.49 N ATOM 400 CA GLY A 26 16.107 9.322 2.605 1.00 0.64 C ATOM 401 C GLY A 26 17.625 9.289 2.646 1.00 0.75 C ATOM 402 O GLY A 26 18.273 10.328 2.772 1.00 0.96 O ATOM 0 H GLY A 26 15.030 7.571 2.998 1.00 0.49 H new ATOM 0 HA2 GLY A 26 15.785 10.080 1.891 1.00 0.64 H new ATOM 0 HA3 GLY A 26 15.729 9.623 3.582 1.00 0.64 H new ATOM 503 N THR A 33 13.908 8.591 -3.639 1.00 0.67 N ATOM 504 CA THR A 33 14.029 7.257 -4.215 1.00 0.46 C ATOM 505 C THR A 33 14.816 6.327 -3.296 1.00 0.38 C ATOM 506 O THR A 33 15.838 6.713 -2.731 1.00 0.44 O ATOM 507 CB THR A 33 14.712 7.309 -5.599 1.00 0.45 C ATOM 508 OG1 THR A 33 15.115 8.651 -5.901 1.00 0.66 O ATOM 509 CG2 THR A 33 13.793 6.791 -6.697 1.00 0.43 C ATOM 0 HA THR A 33 13.019 6.865 -4.332 1.00 0.46 H new ATOM 0 HB THR A 33 15.589 6.664 -5.558 1.00 0.45 H new ATOM 0 HG1 THR A 33 14.654 9.274 -5.301 1.00 0.66 H new ATOM 0 HG21 THR A 33 14.307 6.843 -7.657 1.00 0.43 H new ATOM 0 HG22 THR A 33 13.521 5.757 -6.486 1.00 0.43 H new ATOM 0 HG23 THR A 33 12.891 7.402 -6.735 1.00 0.43 H new ATOM 517 N LEU A 34 14.308 5.115 -3.142 1.00 0.32 N ATOM 518 CA LEU A 34 14.980 4.060 -2.394 1.00 0.30 C ATOM 519 C LEU A 34 15.939 3.347 -3.319 1.00 0.31 C ATOM 520 O LEU A 34 15.531 2.563 -4.176 1.00 0.34 O ATOM 521 CB LEU A 34 13.912 3.099 -1.857 1.00 0.30 C ATOM 522 CG LEU A 34 13.917 2.876 -0.346 1.00 0.29 C ATOM 523 CD1 LEU A 34 12.583 2.313 0.117 1.00 0.45 C ATOM 524 CD2 LEU A 34 15.036 1.939 0.047 1.00 0.28 C ATOM 0 H LEU A 34 13.410 4.831 -3.535 1.00 0.32 H new ATOM 0 HA LEU A 34 15.546 4.465 -1.555 1.00 0.30 H new ATOM 0 HB2 LEU A 34 12.932 3.477 -2.146 1.00 0.30 H new ATOM 0 HB3 LEU A 34 14.039 2.134 -2.348 1.00 0.30 H new ATOM 0 HG LEU A 34 14.077 3.839 0.138 1.00 0.29 H new ATOM 0 HD11 LEU A 34 12.607 2.161 1.196 1.00 0.45 H new ATOM 0 HD12 LEU A 34 11.786 3.013 -0.133 1.00 0.45 H new ATOM 0 HD13 LEU A 34 12.398 1.360 -0.379 1.00 0.45 H new ATOM 0 HD21 LEU A 34 15.025 1.791 1.127 1.00 0.28 H new ATOM 0 HD22 LEU A 34 14.899 0.980 -0.452 1.00 0.28 H new ATOM 0 HD23 LEU A 34 15.992 2.369 -0.250 1.00 0.28 H new ATOM 536 N SER A 35 17.216 3.653 -3.146 1.00 0.32 N ATOM 537 CA SER A 35 18.256 3.158 -4.024 1.00 0.33 C ATOM 538 C SER A 35 18.353 1.645 -3.928 1.00 0.32 C ATOM 539 O SER A 35 17.781 1.045 -3.023 1.00 0.30 O ATOM 540 CB SER A 35 19.593 3.820 -3.683 1.00 0.37 C ATOM 541 OG SER A 35 20.602 3.472 -4.620 1.00 0.40 O ATOM 0 H SER A 35 17.556 4.251 -2.393 1.00 0.32 H new ATOM 0 HA SER A 35 18.003 3.414 -5.053 1.00 0.33 H new ATOM 0 HB2 SER A 35 19.470 4.903 -3.665 1.00 0.37 H new ATOM 0 HB3 SER A 35 19.905 3.518 -2.683 1.00 0.37 H new ATOM 0 HG SER A 35 21.442 3.912 -4.375 1.00 0.40 H new ATOM 547 N LYS A 36 19.073 1.032 -4.858 1.00 0.38 N ATOM 548 CA LYS A 36 19.126 -0.415 -4.935 1.00 0.42 C ATOM 549 C LYS A 36 19.571 -1.013 -3.615 1.00 0.36 C ATOM 550 O LYS A 36 18.816 -1.738 -2.988 1.00 0.35 O ATOM 551 CB LYS A 36 20.042 -0.887 -6.062 1.00 0.53 C ATOM 552 CG LYS A 36 19.997 -2.392 -6.262 1.00 0.62 C ATOM 553 CD LYS A 36 20.869 -2.835 -7.419 1.00 0.66 C ATOM 554 CE LYS A 36 20.782 -4.338 -7.621 1.00 0.61 C ATOM 555 NZ LYS A 36 21.659 -4.808 -8.722 1.00 0.65 N ATOM 0 H LYS A 36 19.626 1.516 -5.566 1.00 0.38 H new ATOM 0 HA LYS A 36 18.116 -0.762 -5.154 1.00 0.42 H new ATOM 0 HB2 LYS A 36 19.754 -0.392 -6.990 1.00 0.53 H new ATOM 0 HB3 LYS A 36 21.066 -0.584 -5.844 1.00 0.53 H new ATOM 0 HG2 LYS A 36 20.325 -2.889 -5.349 1.00 0.62 H new ATOM 0 HG3 LYS A 36 18.968 -2.704 -6.443 1.00 0.62 H new ATOM 0 HD2 LYS A 36 20.558 -2.323 -8.330 1.00 0.66 H new ATOM 0 HD3 LYS A 36 21.904 -2.549 -7.230 1.00 0.66 H new ATOM 0 HE2 LYS A 36 21.060 -4.844 -6.696 1.00 0.61 H new ATOM 0 HE3 LYS A 36 19.750 -4.615 -7.838 1.00 0.61 H new ATOM 0 HZ1 LYS A 36 21.285 -5.698 -9.108 1.00 0.65 H new ATOM 0 HZ2 LYS A 36 21.688 -4.090 -9.474 1.00 0.65 H new ATOM 0 HZ3 LYS A 36 22.620 -4.966 -8.357 1.00 0.65 H new ATOM 569 N THR A 37 20.771 -0.668 -3.174 1.00 0.37 N ATOM 570 CA THR A 37 21.319 -1.227 -1.947 1.00 0.38 C ATOM 571 C THR A 37 20.430 -0.909 -0.749 1.00 0.36 C ATOM 572 O THR A 37 20.284 -1.727 0.165 1.00 0.38 O ATOM 573 CB THR A 37 22.729 -0.699 -1.675 1.00 0.44 C ATOM 574 OG1 THR A 37 23.563 -0.922 -2.823 1.00 0.48 O ATOM 575 CG2 THR A 37 23.322 -1.393 -0.459 1.00 0.49 C ATOM 0 H THR A 37 21.384 -0.004 -3.647 1.00 0.37 H new ATOM 0 HA THR A 37 21.363 -2.307 -2.085 1.00 0.38 H new ATOM 0 HB THR A 37 22.674 0.371 -1.477 1.00 0.44 H new ATOM 0 HG1 THR A 37 24.464 -0.581 -2.644 1.00 0.48 H new ATOM 0 HG21 THR A 37 24.326 -1.010 -0.275 1.00 0.49 H new ATOM 0 HG22 THR A 37 22.695 -1.201 0.411 1.00 0.49 H new ATOM 0 HG23 THR A 37 23.372 -2.467 -0.641 1.00 0.49 H new ATOM 583 N GLU A 38 19.823 0.270 -0.766 1.00 0.34 N ATOM 584 CA GLU A 38 18.877 0.647 0.258 1.00 0.34 C ATOM 585 C GLU A 38 17.727 -0.346 0.214 1.00 0.34 C ATOM 586 O GLU A 38 17.473 -1.059 1.178 1.00 0.48 O ATOM 587 CB GLU A 38 18.400 2.070 0.019 1.00 0.35 C ATOM 588 CG GLU A 38 19.553 3.054 -0.054 1.00 0.47 C ATOM 589 CD GLU A 38 19.121 4.475 -0.331 1.00 1.27 C ATOM 590 OE1 GLU A 38 18.002 4.677 -0.835 1.00 2.16 O ATOM 591 OE2 GLU A 38 19.928 5.392 -0.071 1.00 1.96 O ATOM 0 H GLU A 38 19.974 0.979 -1.483 1.00 0.34 H new ATOM 0 HA GLU A 38 19.336 0.623 1.247 1.00 0.34 H new ATOM 0 HB2 GLU A 38 17.831 2.110 -0.910 1.00 0.35 H new ATOM 0 HB3 GLU A 38 17.723 2.364 0.821 1.00 0.35 H new ATOM 0 HG2 GLU A 38 20.102 3.027 0.887 1.00 0.47 H new ATOM 0 HG3 GLU A 38 20.243 2.734 -0.835 1.00 0.47 H new ATOM 598 N PHE A 39 17.116 -0.470 -0.953 1.00 0.29 N ATOM 599 CA PHE A 39 15.996 -1.369 -1.137 1.00 0.31 C ATOM 600 C PHE A 39 16.394 -2.781 -0.760 1.00 0.28 C ATOM 601 O PHE A 39 15.607 -3.515 -0.196 1.00 0.27 O ATOM 602 CB PHE A 39 15.513 -1.333 -2.588 1.00 0.53 C ATOM 603 CG PHE A 39 14.396 -2.289 -2.875 1.00 0.81 C ATOM 604 CD1 PHE A 39 13.179 -2.161 -2.230 1.00 1.76 C ATOM 605 CD2 PHE A 39 14.565 -3.316 -3.786 1.00 1.78 C ATOM 606 CE1 PHE A 39 12.151 -3.039 -2.491 1.00 2.62 C ATOM 607 CE2 PHE A 39 13.540 -4.199 -4.052 1.00 2.66 C ATOM 608 CZ PHE A 39 12.329 -4.061 -3.404 1.00 2.88 C ATOM 0 H PHE A 39 17.382 0.047 -1.791 1.00 0.29 H new ATOM 0 HA PHE A 39 15.182 -1.044 -0.490 1.00 0.31 H new ATOM 0 HB2 PHE A 39 15.184 -0.322 -2.827 1.00 0.53 H new ATOM 0 HB3 PHE A 39 16.352 -1.560 -3.246 1.00 0.53 H new ATOM 0 HD1 PHE A 39 13.034 -1.365 -1.515 1.00 1.76 H new ATOM 0 HD2 PHE A 39 15.511 -3.428 -4.295 1.00 1.78 H new ATOM 0 HE1 PHE A 39 11.205 -2.929 -1.982 1.00 2.62 H new ATOM 0 HE2 PHE A 39 13.684 -4.997 -4.766 1.00 2.66 H new ATOM 0 HZ PHE A 39 11.523 -4.750 -3.610 1.00 2.88 H new ATOM 618 N LEU A 40 17.628 -3.134 -1.061 1.00 0.33 N ATOM 619 CA LEU A 40 18.148 -4.453 -0.750 1.00 0.37 C ATOM 620 C LEU A 40 18.106 -4.718 0.751 1.00 0.40 C ATOM 621 O LEU A 40 17.479 -5.671 1.208 1.00 0.43 O ATOM 622 CB LEU A 40 19.584 -4.585 -1.255 1.00 0.43 C ATOM 623 CG LEU A 40 19.787 -4.365 -2.760 1.00 0.50 C ATOM 624 CD1 LEU A 40 21.020 -5.098 -3.253 1.00 1.07 C ATOM 625 CD2 LEU A 40 18.554 -4.769 -3.551 1.00 0.46 C ATOM 0 H LEU A 40 18.296 -2.519 -1.526 1.00 0.33 H new ATOM 0 HA LEU A 40 17.519 -5.190 -1.249 1.00 0.37 H new ATOM 0 HB2 LEU A 40 20.206 -3.870 -0.716 1.00 0.43 H new ATOM 0 HB3 LEU A 40 19.948 -5.580 -1.000 1.00 0.43 H new ATOM 0 HG LEU A 40 19.943 -3.298 -2.922 1.00 0.50 H new ATOM 0 HD11 LEU A 40 21.142 -4.926 -4.322 1.00 1.07 H new ATOM 0 HD12 LEU A 40 21.899 -4.729 -2.724 1.00 1.07 H new ATOM 0 HD13 LEU A 40 20.907 -6.166 -3.068 1.00 1.07 H new ATOM 0 HD21 LEU A 40 18.732 -4.600 -4.613 1.00 0.46 H new ATOM 0 HD22 LEU A 40 18.343 -5.825 -3.382 1.00 0.46 H new ATOM 0 HD23 LEU A 40 17.702 -4.172 -3.226 1.00 0.46 H new ATOM 637 N SER A 41 18.757 -3.860 1.518 1.00 0.42 N ATOM 638 CA SER A 41 18.854 -4.059 2.955 1.00 0.52 C ATOM 639 C SER A 41 17.494 -3.861 3.623 1.00 0.45 C ATOM 640 O SER A 41 17.149 -4.570 4.562 1.00 0.47 O ATOM 641 CB SER A 41 19.887 -3.103 3.558 1.00 0.67 C ATOM 642 OG SER A 41 20.074 -3.355 4.942 1.00 1.40 O ATOM 0 H SER A 41 19.225 -3.022 1.172 1.00 0.42 H new ATOM 0 HA SER A 41 19.179 -5.084 3.136 1.00 0.52 H new ATOM 0 HB2 SER A 41 20.837 -3.212 3.034 1.00 0.67 H new ATOM 0 HB3 SER A 41 19.561 -2.073 3.414 1.00 0.67 H new ATOM 0 HG SER A 41 20.740 -2.732 5.301 1.00 1.40 H new ATOM 648 N PHE A 42 16.724 -2.914 3.111 1.00 0.42 N ATOM 649 CA PHE A 42 15.443 -2.535 3.700 1.00 0.46 C ATOM 650 C PHE A 42 14.351 -3.491 3.258 1.00 0.29 C ATOM 651 O PHE A 42 13.308 -3.594 3.889 1.00 0.43 O ATOM 652 CB PHE A 42 15.192 -1.077 3.364 1.00 0.80 C ATOM 653 CG PHE A 42 16.376 -0.270 3.841 1.00 1.89 C ATOM 654 CD1 PHE A 42 17.014 -0.614 5.031 1.00 2.77 C ATOM 655 CD2 PHE A 42 16.889 0.775 3.101 1.00 2.69 C ATOM 656 CE1 PHE A 42 18.132 0.063 5.458 1.00 3.80 C ATOM 657 CE2 PHE A 42 18.004 1.461 3.531 1.00 3.73 C ATOM 658 CZ PHE A 42 18.627 1.100 4.708 1.00 4.13 C ATOM 0 H PHE A 42 16.967 -2.384 2.274 1.00 0.42 H new ATOM 0 HA PHE A 42 15.452 -2.620 4.787 1.00 0.46 H new ATOM 0 HB2 PHE A 42 15.056 -0.953 2.290 1.00 0.80 H new ATOM 0 HB3 PHE A 42 14.277 -0.729 3.844 1.00 0.80 H new ATOM 0 HD1 PHE A 42 16.624 -1.425 5.628 1.00 2.77 H new ATOM 0 HD2 PHE A 42 16.412 1.059 2.175 1.00 2.69 H new ATOM 0 HE1 PHE A 42 18.618 -0.220 6.380 1.00 3.80 H new ATOM 0 HE2 PHE A 42 18.391 2.282 2.946 1.00 3.73 H new ATOM 0 HZ PHE A 42 19.505 1.634 5.039 1.00 4.13 H new ATOM 668 N MET A 43 14.604 -4.191 2.170 1.00 0.26 N ATOM 669 CA MET A 43 13.825 -5.372 1.825 1.00 0.29 C ATOM 670 C MET A 43 14.118 -6.492 2.811 1.00 0.29 C ATOM 671 O MET A 43 13.213 -7.142 3.303 1.00 0.37 O ATOM 672 CB MET A 43 14.172 -5.851 0.426 1.00 0.39 C ATOM 673 CG MET A 43 13.028 -5.774 -0.569 1.00 0.62 C ATOM 674 SD MET A 43 11.764 -7.028 -0.289 1.00 1.22 S ATOM 675 CE MET A 43 10.736 -6.809 -1.737 1.00 2.26 C ATOM 0 H MET A 43 15.344 -3.965 1.506 1.00 0.26 H new ATOM 0 HA MET A 43 12.769 -5.106 1.865 1.00 0.29 H new ATOM 0 HB2 MET A 43 15.005 -5.258 0.049 1.00 0.39 H new ATOM 0 HB3 MET A 43 14.517 -6.883 0.484 1.00 0.39 H new ATOM 0 HG2 MET A 43 12.571 -4.786 -0.512 1.00 0.62 H new ATOM 0 HG3 MET A 43 13.424 -5.884 -1.579 1.00 0.62 H new ATOM 0 HE1 MET A 43 10.028 -7.635 -1.809 1.00 2.26 H new ATOM 0 HE2 MET A 43 10.190 -5.869 -1.657 1.00 2.26 H new ATOM 0 HE3 MET A 43 11.363 -6.789 -2.629 1.00 2.26 H new ATOM 685 N ASN A 44 15.392 -6.716 3.107 1.00 0.29 N ATOM 686 CA ASN A 44 15.774 -7.784 4.031 1.00 0.33 C ATOM 687 C ASN A 44 15.353 -7.475 5.460 1.00 0.32 C ATOM 688 O ASN A 44 15.315 -8.371 6.300 1.00 0.39 O ATOM 689 CB ASN A 44 17.277 -8.032 4.036 1.00 0.42 C ATOM 690 CG ASN A 44 17.778 -8.849 2.860 1.00 1.05 C ATOM 691 OD1 ASN A 44 17.796 -10.077 2.910 1.00 1.54 O ATOM 692 ND2 ASN A 44 18.210 -8.180 1.810 1.00 1.83 N ATOM 0 H ASN A 44 16.173 -6.181 2.727 1.00 0.29 H new ATOM 0 HA ASN A 44 15.256 -8.673 3.672 1.00 0.33 H new ATOM 0 HB2 ASN A 44 17.792 -7.071 4.042 1.00 0.42 H new ATOM 0 HB3 ASN A 44 17.546 -8.544 4.960 1.00 0.42 H new ATOM 0 HD21 ASN A 44 18.576 -8.682 1.001 1.00 1.83 H new ATOM 0 HD22 ASN A 44 18.179 -7.160 1.807 1.00 1.83 H new ATOM 699 N THR A 45 15.082 -6.213 5.751 1.00 0.26 N ATOM 700 CA THR A 45 14.690 -5.826 7.097 1.00 0.29 C ATOM 701 C THR A 45 13.193 -5.571 7.183 1.00 0.28 C ATOM 702 O THR A 45 12.494 -6.201 7.975 1.00 0.34 O ATOM 703 CB THR A 45 15.447 -4.571 7.573 1.00 0.29 C ATOM 704 OG1 THR A 45 15.246 -3.488 6.657 1.00 0.34 O ATOM 705 CG2 THR A 45 16.933 -4.853 7.706 1.00 0.34 C ATOM 0 H THR A 45 15.125 -5.445 5.081 1.00 0.26 H new ATOM 0 HA THR A 45 14.950 -6.660 7.749 1.00 0.29 H new ATOM 0 HB THR A 45 15.053 -4.294 8.551 1.00 0.29 H new ATOM 0 HG1 THR A 45 15.732 -2.698 6.973 1.00 0.34 H new ATOM 0 HG21 THR A 45 17.446 -3.952 8.043 1.00 0.34 H new ATOM 0 HG22 THR A 45 17.088 -5.652 8.431 1.00 0.34 H new ATOM 0 HG23 THR A 45 17.333 -5.158 6.739 1.00 0.34 H new ATOM 713 N GLU A 46 12.705 -4.659 6.355 1.00 0.23 N ATOM 714 CA GLU A 46 11.310 -4.266 6.389 1.00 0.25 C ATOM 715 C GLU A 46 10.440 -5.212 5.578 1.00 0.25 C ATOM 716 O GLU A 46 9.225 -5.175 5.673 1.00 0.34 O ATOM 717 CB GLU A 46 11.127 -2.839 5.887 1.00 0.29 C ATOM 718 CG GLU A 46 11.497 -1.785 6.909 1.00 0.58 C ATOM 719 CD GLU A 46 10.798 -1.985 8.242 1.00 1.17 C ATOM 720 OE1 GLU A 46 9.662 -1.493 8.411 1.00 1.70 O ATOM 721 OE2 GLU A 46 11.387 -2.633 9.135 1.00 1.68 O ATOM 0 H GLU A 46 13.261 -4.177 5.649 1.00 0.23 H new ATOM 0 HA GLU A 46 10.993 -4.316 7.431 1.00 0.25 H new ATOM 0 HB2 GLU A 46 11.735 -2.696 4.994 1.00 0.29 H new ATOM 0 HB3 GLU A 46 10.088 -2.697 5.591 1.00 0.29 H new ATOM 0 HG2 GLU A 46 12.576 -1.799 7.064 1.00 0.58 H new ATOM 0 HG3 GLU A 46 11.244 -0.800 6.516 1.00 0.58 H new ATOM 728 N LEU A 47 11.042 -6.036 4.754 1.00 0.25 N ATOM 729 CA LEU A 47 10.265 -7.038 4.041 1.00 0.26 C ATOM 730 C LEU A 47 10.895 -8.405 4.167 1.00 0.28 C ATOM 731 O LEU A 47 10.853 -9.218 3.243 1.00 0.30 O ATOM 732 CB LEU A 47 10.106 -6.641 2.584 1.00 0.26 C ATOM 733 CG LEU A 47 9.292 -5.371 2.373 1.00 0.27 C ATOM 734 CD1 LEU A 47 9.358 -4.928 0.926 1.00 0.32 C ATOM 735 CD2 LEU A 47 7.852 -5.600 2.810 1.00 0.27 C ATOM 0 H LEU A 47 12.043 -6.040 4.559 1.00 0.25 H new ATOM 0 HA LEU A 47 9.274 -7.091 4.493 1.00 0.26 H new ATOM 0 HB2 LEU A 47 11.094 -6.504 2.146 1.00 0.26 H new ATOM 0 HB3 LEU A 47 9.629 -7.460 2.045 1.00 0.26 H new ATOM 0 HG LEU A 47 9.716 -4.574 2.983 1.00 0.27 H new ATOM 0 HD11 LEU A 47 8.770 -4.019 0.797 1.00 0.32 H new ATOM 0 HD12 LEU A 47 10.395 -4.732 0.653 1.00 0.32 H new ATOM 0 HD13 LEU A 47 8.957 -5.714 0.286 1.00 0.32 H new ATOM 0 HD21 LEU A 47 7.276 -4.688 2.656 1.00 0.27 H new ATOM 0 HD22 LEU A 47 7.417 -6.408 2.221 1.00 0.27 H new ATOM 0 HD23 LEU A 47 7.831 -5.869 3.866 1.00 0.27 H new ATOM 747 N ALA A 48 11.492 -8.643 5.318 1.00 0.32 N ATOM 748 CA ALA A 48 12.125 -9.909 5.606 1.00 0.36 C ATOM 749 C ALA A 48 11.120 -11.057 5.582 1.00 0.39 C ATOM 750 O ALA A 48 11.498 -12.207 5.358 1.00 0.44 O ATOM 751 CB ALA A 48 12.832 -9.826 6.940 1.00 0.41 C ATOM 0 H ALA A 48 11.550 -7.964 6.077 1.00 0.32 H new ATOM 0 HA ALA A 48 12.859 -10.118 4.828 1.00 0.36 H new ATOM 0 HB1 ALA A 48 13.310 -10.781 7.158 1.00 0.41 H new ATOM 0 HB2 ALA A 48 13.588 -9.042 6.903 1.00 0.41 H new ATOM 0 HB3 ALA A 48 12.108 -9.595 7.722 1.00 0.41 H new ATOM 757 N ALA A 49 9.846 -10.745 5.800 1.00 0.38 N ATOM 758 CA ALA A 49 8.786 -11.739 5.678 1.00 0.41 C ATOM 759 C ALA A 49 8.790 -12.337 4.280 1.00 0.41 C ATOM 760 O ALA A 49 8.637 -13.546 4.097 1.00 0.47 O ATOM 761 CB ALA A 49 7.434 -11.107 5.968 1.00 0.44 C ATOM 0 H ALA A 49 9.523 -9.813 6.062 1.00 0.38 H new ATOM 0 HA ALA A 49 8.966 -12.532 6.404 1.00 0.41 H new ATOM 0 HB1 ALA A 49 6.652 -11.861 5.873 1.00 0.44 H new ATOM 0 HB2 ALA A 49 7.430 -10.705 6.981 1.00 0.44 H new ATOM 0 HB3 ALA A 49 7.249 -10.301 5.258 1.00 0.44 H new ATOM 767 N PHE A 50 8.989 -11.470 3.302 1.00 0.36 N ATOM 768 CA PHE A 50 9.029 -11.861 1.906 1.00 0.37 C ATOM 769 C PHE A 50 10.429 -12.325 1.525 1.00 0.38 C ATOM 770 O PHE A 50 10.625 -13.444 1.044 1.00 0.44 O ATOM 771 CB PHE A 50 8.635 -10.662 1.041 1.00 0.35 C ATOM 772 CG PHE A 50 8.589 -10.956 -0.433 1.00 0.70 C ATOM 773 CD1 PHE A 50 7.512 -11.631 -0.985 1.00 1.63 C ATOM 774 CD2 PHE A 50 9.622 -10.556 -1.266 1.00 1.32 C ATOM 775 CE1 PHE A 50 7.466 -11.902 -2.340 1.00 2.09 C ATOM 776 CE2 PHE A 50 9.582 -10.824 -2.621 1.00 1.66 C ATOM 777 CZ PHE A 50 8.503 -11.497 -3.159 1.00 1.80 C ATOM 0 H PHE A 50 9.128 -10.471 3.456 1.00 0.36 H new ATOM 0 HA PHE A 50 8.332 -12.684 1.744 1.00 0.37 H new ATOM 0 HB2 PHE A 50 7.656 -10.304 1.360 1.00 0.35 H new ATOM 0 HB3 PHE A 50 9.343 -9.852 1.217 1.00 0.35 H new ATOM 0 HD1 PHE A 50 6.699 -11.949 -0.349 1.00 1.63 H new ATOM 0 HD2 PHE A 50 10.468 -10.029 -0.851 1.00 1.32 H new ATOM 0 HE1 PHE A 50 6.621 -12.429 -2.758 1.00 2.09 H new ATOM 0 HE2 PHE A 50 10.394 -10.507 -3.259 1.00 1.66 H new ATOM 0 HZ PHE A 50 8.469 -11.707 -4.218 1.00 1.80 H new ATOM 787 N THR A 51 11.392 -11.454 1.778 1.00 0.36 N ATOM 788 CA THR A 51 12.769 -11.651 1.361 1.00 0.40 C ATOM 789 C THR A 51 13.366 -12.942 1.908 1.00 0.45 C ATOM 790 O THR A 51 13.899 -13.757 1.157 1.00 0.54 O ATOM 791 CB THR A 51 13.627 -10.468 1.829 1.00 0.39 C ATOM 792 OG1 THR A 51 13.146 -9.259 1.241 1.00 0.39 O ATOM 793 CG2 THR A 51 15.086 -10.674 1.469 1.00 0.49 C ATOM 0 H THR A 51 11.237 -10.582 2.284 1.00 0.36 H new ATOM 0 HA THR A 51 12.766 -11.719 0.273 1.00 0.40 H new ATOM 0 HB THR A 51 13.552 -10.400 2.914 1.00 0.39 H new ATOM 0 HG1 THR A 51 12.320 -8.983 1.690 1.00 0.39 H new ATOM 0 HG21 THR A 51 15.670 -9.820 1.813 1.00 0.49 H new ATOM 0 HG22 THR A 51 15.454 -11.582 1.947 1.00 0.49 H new ATOM 0 HG23 THR A 51 15.184 -10.769 0.388 1.00 0.49 H new ATOM 801 N LYS A 52 13.253 -13.137 3.213 1.00 0.48 N ATOM 802 CA LYS A 52 13.923 -14.250 3.865 1.00 0.60 C ATOM 803 C LYS A 52 13.222 -15.559 3.550 1.00 0.69 C ATOM 804 O LYS A 52 13.792 -16.634 3.712 1.00 0.84 O ATOM 805 CB LYS A 52 13.979 -14.030 5.373 1.00 0.70 C ATOM 806 CG LYS A 52 14.624 -12.710 5.758 1.00 0.78 C ATOM 807 CD LYS A 52 16.082 -12.648 5.338 1.00 1.07 C ATOM 808 CE LYS A 52 16.686 -11.284 5.626 1.00 1.24 C ATOM 809 NZ LYS A 52 16.679 -10.961 7.075 1.00 1.82 N ATOM 0 H LYS A 52 12.707 -12.543 3.837 1.00 0.48 H new ATOM 0 HA LYS A 52 14.942 -14.305 3.482 1.00 0.60 H new ATOM 0 HB2 LYS A 52 12.967 -14.065 5.777 1.00 0.70 H new ATOM 0 HB3 LYS A 52 14.535 -14.847 5.833 1.00 0.70 H new ATOM 0 HG2 LYS A 52 14.077 -11.890 5.293 1.00 0.78 H new ATOM 0 HG3 LYS A 52 14.551 -12.571 6.837 1.00 0.78 H new ATOM 0 HD2 LYS A 52 16.647 -13.416 5.866 1.00 1.07 H new ATOM 0 HD3 LYS A 52 16.165 -12.866 4.273 1.00 1.07 H new ATOM 0 HE2 LYS A 52 17.710 -11.257 5.255 1.00 1.24 H new ATOM 0 HE3 LYS A 52 16.129 -10.520 5.083 1.00 1.24 H new ATOM 0 HZ1 LYS A 52 16.016 -10.180 7.253 1.00 1.82 H new ATOM 0 HZ2 LYS A 52 16.382 -11.798 7.616 1.00 1.82 H new ATOM 0 HZ3 LYS A 52 17.635 -10.678 7.372 1.00 1.82 H new ATOM 902 N GLY A 58 18.771 -12.484 -5.107 1.00 0.67 N ATOM 903 CA GLY A 58 18.495 -12.045 -6.458 1.00 0.56 C ATOM 904 C GLY A 58 17.058 -11.616 -6.646 1.00 0.49 C ATOM 905 O GLY A 58 16.734 -10.930 -7.610 1.00 0.48 O ATOM 0 HA2 GLY A 58 19.154 -11.214 -6.708 1.00 0.56 H new ATOM 0 HA3 GLY A 58 18.723 -12.853 -7.153 1.00 0.56 H new ATOM 909 N VAL A 59 16.191 -12.009 -5.723 1.00 0.52 N ATOM 910 CA VAL A 59 14.786 -11.653 -5.819 1.00 0.52 C ATOM 911 C VAL A 59 14.589 -10.161 -5.678 1.00 0.49 C ATOM 912 O VAL A 59 13.836 -9.564 -6.434 1.00 0.49 O ATOM 913 CB VAL A 59 13.918 -12.376 -4.768 1.00 0.61 C ATOM 914 CG1 VAL A 59 14.393 -12.066 -3.353 1.00 0.65 C ATOM 915 CG2 VAL A 59 12.457 -11.989 -4.930 1.00 0.66 C ATOM 0 H VAL A 59 16.435 -12.570 -4.907 1.00 0.52 H new ATOM 0 HA VAL A 59 14.463 -11.975 -6.809 1.00 0.52 H new ATOM 0 HB VAL A 59 14.019 -13.449 -4.931 1.00 0.61 H new ATOM 0 HG11 VAL A 59 13.762 -12.589 -2.635 1.00 0.65 H new ATOM 0 HG12 VAL A 59 15.426 -12.394 -3.236 1.00 0.65 H new ATOM 0 HG13 VAL A 59 14.331 -10.992 -3.175 1.00 0.65 H new ATOM 0 HG21 VAL A 59 11.858 -12.507 -4.181 1.00 0.66 H new ATOM 0 HG22 VAL A 59 12.349 -10.912 -4.799 1.00 0.66 H new ATOM 0 HG23 VAL A 59 12.115 -12.269 -5.926 1.00 0.66 H new ATOM 925 N LEU A 60 15.286 -9.555 -4.728 1.00 0.48 N ATOM 926 CA LEU A 60 15.148 -8.128 -4.494 1.00 0.46 C ATOM 927 C LEU A 60 15.627 -7.385 -5.716 1.00 0.43 C ATOM 928 O LEU A 60 15.207 -6.263 -5.995 1.00 0.41 O ATOM 929 CB LEU A 60 15.955 -7.684 -3.279 1.00 0.48 C ATOM 930 CG LEU A 60 15.857 -8.606 -2.065 1.00 0.51 C ATOM 931 CD1 LEU A 60 16.650 -8.039 -0.902 1.00 0.51 C ATOM 932 CD2 LEU A 60 14.405 -8.820 -1.675 1.00 0.52 C ATOM 0 H LEU A 60 15.948 -10.026 -4.111 1.00 0.48 H new ATOM 0 HA LEU A 60 14.099 -7.907 -4.300 1.00 0.46 H new ATOM 0 HB2 LEU A 60 17.002 -7.600 -3.569 1.00 0.48 H new ATOM 0 HB3 LEU A 60 15.624 -6.687 -2.987 1.00 0.48 H new ATOM 0 HG LEU A 60 16.284 -9.573 -2.329 1.00 0.51 H new ATOM 0 HD11 LEU A 60 16.569 -8.709 -0.046 1.00 0.51 H new ATOM 0 HD12 LEU A 60 17.697 -7.941 -1.189 1.00 0.51 H new ATOM 0 HD13 LEU A 60 16.254 -7.059 -0.635 1.00 0.51 H new ATOM 0 HD21 LEU A 60 14.354 -9.479 -0.808 1.00 0.52 H new ATOM 0 HD22 LEU A 60 13.949 -7.861 -1.428 1.00 0.52 H new ATOM 0 HD23 LEU A 60 13.868 -9.274 -2.508 1.00 0.52 H new ATOM 944 N ASP A 61 16.504 -8.046 -6.448 1.00 0.46 N ATOM 945 CA ASP A 61 17.012 -7.515 -7.695 1.00 0.46 C ATOM 946 C ASP A 61 15.905 -7.535 -8.729 1.00 0.47 C ATOM 947 O ASP A 61 15.660 -6.548 -9.419 1.00 0.51 O ATOM 948 CB ASP A 61 18.201 -8.338 -8.186 1.00 0.47 C ATOM 949 CG ASP A 61 18.943 -7.663 -9.327 1.00 0.48 C ATOM 950 OD1 ASP A 61 18.511 -7.804 -10.491 1.00 1.22 O ATOM 951 OD2 ASP A 61 19.966 -6.993 -9.063 1.00 1.19 O ATOM 0 H ASP A 61 16.881 -8.960 -6.196 1.00 0.46 H new ATOM 0 HA ASP A 61 17.350 -6.491 -7.536 1.00 0.46 H new ATOM 0 HB2 ASP A 61 18.890 -8.506 -7.358 1.00 0.47 H new ATOM 0 HB3 ASP A 61 17.851 -9.317 -8.513 1.00 0.47 H new ATOM 956 N ARG A 62 15.221 -8.668 -8.795 1.00 0.47 N ATOM 957 CA ARG A 62 14.098 -8.850 -9.700 1.00 0.51 C ATOM 958 C ARG A 62 12.998 -7.846 -9.389 1.00 0.50 C ATOM 959 O ARG A 62 12.428 -7.234 -10.296 1.00 0.56 O ATOM 960 CB ARG A 62 13.546 -10.267 -9.573 1.00 0.55 C ATOM 961 CG ARG A 62 14.597 -11.345 -9.749 1.00 0.55 C ATOM 962 CD ARG A 62 14.008 -12.724 -9.544 1.00 0.62 C ATOM 963 NE ARG A 62 12.886 -12.983 -10.443 1.00 1.45 N ATOM 964 CZ ARG A 62 12.029 -13.992 -10.300 1.00 1.97 C ATOM 965 NH1 ARG A 62 12.160 -14.846 -9.290 1.00 1.66 N ATOM 966 NH2 ARG A 62 11.040 -14.147 -11.168 1.00 3.02 N ATOM 0 H ARG A 62 15.430 -9.486 -8.223 1.00 0.47 H new ATOM 0 HA ARG A 62 14.448 -8.689 -10.720 1.00 0.51 H new ATOM 0 HB2 ARG A 62 13.081 -10.381 -8.594 1.00 0.55 H new ATOM 0 HB3 ARG A 62 12.762 -10.411 -10.316 1.00 0.55 H new ATOM 0 HG2 ARG A 62 15.028 -11.276 -10.748 1.00 0.55 H new ATOM 0 HG3 ARG A 62 15.409 -11.184 -9.039 1.00 0.55 H new ATOM 0 HD2 ARG A 62 14.781 -13.475 -9.705 1.00 0.62 H new ATOM 0 HD3 ARG A 62 13.675 -12.825 -8.511 1.00 0.62 H new ATOM 0 HE ARG A 62 12.750 -12.350 -11.231 1.00 1.45 H new ATOM 0 HH11 ARG A 62 12.920 -14.730 -8.620 1.00 1.66 H new ATOM 0 HH12 ARG A 62 11.501 -15.617 -9.185 1.00 1.66 H new ATOM 0 HH21 ARG A 62 10.936 -13.494 -11.945 1.00 3.02 H new ATOM 0 HH22 ARG A 62 10.383 -14.919 -11.060 1.00 3.02 H new ATOM 980 N MET A 63 12.710 -7.683 -8.098 1.00 0.45 N ATOM 981 CA MET A 63 11.720 -6.710 -7.652 1.00 0.44 C ATOM 982 C MET A 63 12.148 -5.336 -8.110 1.00 0.41 C ATOM 983 O MET A 63 11.409 -4.654 -8.811 1.00 0.42 O ATOM 984 CB MET A 63 11.576 -6.694 -6.128 1.00 0.43 C ATOM 985 CG MET A 63 11.548 -8.069 -5.480 1.00 0.49 C ATOM 986 SD MET A 63 10.146 -9.078 -6.000 1.00 0.64 S ATOM 987 CE MET A 63 8.777 -8.155 -5.310 1.00 1.54 C ATOM 0 H MET A 63 13.149 -8.213 -7.345 1.00 0.45 H new ATOM 0 HA MET A 63 10.758 -6.990 -8.080 1.00 0.44 H new ATOM 0 HB2 MET A 63 12.403 -6.124 -5.704 1.00 0.43 H new ATOM 0 HB3 MET A 63 10.658 -6.166 -5.868 1.00 0.43 H new ATOM 0 HG2 MET A 63 12.473 -8.594 -5.719 1.00 0.49 H new ATOM 0 HG3 MET A 63 11.520 -7.951 -4.397 1.00 0.49 H new ATOM 0 HE1 MET A 63 7.886 -8.782 -5.296 1.00 1.54 H new ATOM 0 HE2 MET A 63 9.021 -7.848 -4.293 1.00 1.54 H new ATOM 0 HE3 MET A 63 8.590 -7.271 -5.920 1.00 1.54 H new ATOM 997 N MET A 64 13.365 -4.956 -7.722 1.00 0.41 N ATOM 998 CA MET A 64 13.930 -3.669 -8.094 1.00 0.42 C ATOM 999 C MET A 64 13.749 -3.400 -9.577 1.00 0.44 C ATOM 1000 O MET A 64 13.164 -2.409 -9.942 1.00 0.41 O ATOM 1001 CB MET A 64 15.415 -3.600 -7.732 1.00 0.55 C ATOM 1002 CG MET A 64 16.148 -2.404 -8.332 1.00 0.65 C ATOM 1003 SD MET A 64 15.461 -0.814 -7.837 1.00 1.87 S ATOM 1004 CE MET A 64 15.618 -0.907 -6.061 1.00 2.41 C ATOM 0 H MET A 64 13.980 -5.530 -7.145 1.00 0.41 H new ATOM 0 HA MET A 64 13.395 -2.902 -7.534 1.00 0.42 H new ATOM 0 HB2 MET A 64 15.512 -3.565 -6.647 1.00 0.55 H new ATOM 0 HB3 MET A 64 15.902 -4.516 -8.066 1.00 0.55 H new ATOM 0 HG2 MET A 64 17.196 -2.445 -8.036 1.00 0.65 H new ATOM 0 HG3 MET A 64 16.120 -2.480 -9.419 1.00 0.65 H new ATOM 0 HE1 MET A 64 15.914 0.067 -5.670 1.00 2.41 H new ATOM 0 HE2 MET A 64 14.662 -1.197 -5.626 1.00 2.41 H new ATOM 0 HE3 MET A 64 16.375 -1.647 -5.801 1.00 2.41 H new ATOM 1014 N LYS A 65 14.203 -4.309 -10.423 1.00 0.52 N ATOM 1015 CA LYS A 65 14.179 -4.072 -11.867 1.00 0.56 C ATOM 1016 C LYS A 65 12.749 -3.942 -12.395 1.00 0.54 C ATOM 1017 O LYS A 65 12.497 -3.211 -13.354 1.00 0.60 O ATOM 1018 CB LYS A 65 14.916 -5.191 -12.604 1.00 0.66 C ATOM 1019 CG LYS A 65 16.326 -5.430 -12.092 1.00 0.79 C ATOM 1020 CD LYS A 65 17.177 -4.174 -12.166 1.00 0.86 C ATOM 1021 CE LYS A 65 18.523 -4.375 -11.485 1.00 1.57 C ATOM 1022 NZ LYS A 65 19.231 -5.590 -11.975 1.00 2.49 N ATOM 0 H LYS A 65 14.590 -5.211 -10.145 1.00 0.52 H new ATOM 0 HA LYS A 65 14.689 -3.127 -12.054 1.00 0.56 H new ATOM 0 HB2 LYS A 65 14.344 -6.114 -12.512 1.00 0.66 H new ATOM 0 HB3 LYS A 65 14.960 -4.948 -13.666 1.00 0.66 H new ATOM 0 HG2 LYS A 65 16.283 -5.779 -11.060 1.00 0.79 H new ATOM 0 HG3 LYS A 65 16.795 -6.221 -12.677 1.00 0.79 H new ATOM 0 HD2 LYS A 65 17.333 -3.899 -13.209 1.00 0.86 H new ATOM 0 HD3 LYS A 65 16.648 -3.346 -11.694 1.00 0.86 H new ATOM 0 HE2 LYS A 65 19.149 -3.499 -11.657 1.00 1.57 H new ATOM 0 HE3 LYS A 65 18.374 -4.454 -10.408 1.00 1.57 H new ATOM 0 HZ1 LYS A 65 20.245 -5.512 -11.757 1.00 2.49 H new ATOM 0 HZ2 LYS A 65 18.840 -6.432 -11.507 1.00 2.49 H new ATOM 0 HZ3 LYS A 65 19.103 -5.675 -13.004 1.00 2.49 H new ATOM 1036 N LYS A 66 11.820 -4.648 -11.762 1.00 0.50 N ATOM 1037 CA LYS A 66 10.412 -4.587 -12.140 1.00 0.52 C ATOM 1038 C LYS A 66 9.802 -3.252 -11.737 1.00 0.48 C ATOM 1039 O LYS A 66 9.000 -2.664 -12.465 1.00 0.55 O ATOM 1040 CB LYS A 66 9.643 -5.714 -11.452 1.00 0.55 C ATOM 1041 CG LYS A 66 8.152 -5.702 -11.747 1.00 0.91 C ATOM 1042 CD LYS A 66 7.428 -6.834 -11.034 1.00 0.96 C ATOM 1043 CE LYS A 66 7.516 -6.701 -9.519 1.00 0.73 C ATOM 1044 NZ LYS A 66 6.864 -7.843 -8.827 1.00 1.47 N ATOM 0 H LYS A 66 12.017 -5.273 -10.980 1.00 0.50 H new ATOM 0 HA LYS A 66 10.344 -4.696 -13.222 1.00 0.52 H new ATOM 0 HB2 LYS A 66 10.059 -6.671 -11.766 1.00 0.55 H new ATOM 0 HB3 LYS A 66 9.792 -5.640 -10.375 1.00 0.55 H new ATOM 0 HG2 LYS A 66 7.728 -4.747 -11.438 1.00 0.91 H new ATOM 0 HG3 LYS A 66 7.993 -5.788 -12.822 1.00 0.91 H new ATOM 0 HD2 LYS A 66 6.381 -6.843 -11.337 1.00 0.96 H new ATOM 0 HD3 LYS A 66 7.857 -7.788 -11.340 1.00 0.96 H new ATOM 0 HE2 LYS A 66 8.562 -6.644 -9.219 1.00 0.73 H new ATOM 0 HE3 LYS A 66 7.044 -5.769 -9.208 1.00 0.73 H new ATOM 0 HZ1 LYS A 66 6.944 -7.717 -7.798 1.00 1.47 H new ATOM 0 HZ2 LYS A 66 5.860 -7.883 -9.094 1.00 1.47 H new ATOM 0 HZ3 LYS A 66 7.331 -8.730 -9.105 1.00 1.47 H new ATOM 1058 N LEU A 67 10.183 -2.789 -10.565 1.00 0.41 N ATOM 1059 CA LEU A 67 9.612 -1.592 -9.979 1.00 0.39 C ATOM 1060 C LEU A 67 10.347 -0.354 -10.449 1.00 0.40 C ATOM 1061 O LEU A 67 9.742 0.703 -10.594 1.00 0.46 O ATOM 1062 CB LEU A 67 9.717 -1.688 -8.478 1.00 0.34 C ATOM 1063 CG LEU A 67 9.243 -3.011 -7.886 1.00 0.33 C ATOM 1064 CD1 LEU A 67 9.754 -3.162 -6.469 1.00 0.30 C ATOM 1065 CD2 LEU A 67 7.726 -3.116 -7.936 1.00 0.37 C ATOM 0 H LEU A 67 10.899 -3.232 -9.990 1.00 0.41 H new ATOM 0 HA LEU A 67 8.570 -1.513 -10.288 1.00 0.39 H new ATOM 0 HB2 LEU A 67 10.756 -1.529 -8.190 1.00 0.34 H new ATOM 0 HB3 LEU A 67 9.136 -0.879 -8.035 1.00 0.34 H new ATOM 0 HG LEU A 67 9.649 -3.825 -8.486 1.00 0.33 H new ATOM 0 HD11 LEU A 67 9.409 -4.110 -6.057 1.00 0.30 H new ATOM 0 HD12 LEU A 67 10.844 -3.142 -6.471 1.00 0.30 H new ATOM 0 HD13 LEU A 67 9.378 -2.342 -5.857 1.00 0.30 H new ATOM 0 HD21 LEU A 67 7.413 -4.068 -7.508 1.00 0.37 H new ATOM 0 HD22 LEU A 67 7.286 -2.299 -7.364 1.00 0.37 H new ATOM 0 HD23 LEU A 67 7.391 -3.056 -8.972 1.00 0.37 H new ATOM 1077 N ASP A 68 11.659 -0.506 -10.642 1.00 0.40 N ATOM 1078 CA ASP A 68 12.533 0.551 -11.149 1.00 0.42 C ATOM 1079 C ASP A 68 12.089 0.942 -12.544 1.00 0.52 C ATOM 1080 O ASP A 68 12.644 0.524 -13.564 1.00 0.56 O ATOM 1081 CB ASP A 68 13.996 0.083 -11.139 1.00 0.43 C ATOM 1082 CG ASP A 68 14.945 1.001 -11.892 1.00 0.46 C ATOM 1083 OD1 ASP A 68 15.040 2.198 -11.554 1.00 1.23 O ATOM 1084 OD2 ASP A 68 15.621 0.511 -12.827 1.00 1.13 O ATOM 0 H ASP A 68 12.150 -1.379 -10.448 1.00 0.40 H new ATOM 0 HA ASP A 68 12.463 1.426 -10.503 1.00 0.42 H new ATOM 0 HB2 ASP A 68 14.332 -0.001 -10.106 1.00 0.43 H new ATOM 0 HB3 ASP A 68 14.050 -0.915 -11.575 1.00 0.43 H new ATOM 1089 N THR A 69 11.037 1.710 -12.554 1.00 0.59 N ATOM 1090 CA THR A 69 10.423 2.195 -13.754 1.00 0.74 C ATOM 1091 C THR A 69 11.091 3.504 -14.153 1.00 0.84 C ATOM 1092 O THR A 69 10.949 3.984 -15.281 1.00 0.99 O ATOM 1093 CB THR A 69 8.913 2.385 -13.513 1.00 0.79 C ATOM 1094 OG1 THR A 69 8.194 2.342 -14.753 1.00 0.90 O ATOM 1095 CG2 THR A 69 8.636 3.705 -12.815 1.00 0.83 C ATOM 0 H THR A 69 10.571 2.024 -11.703 1.00 0.59 H new ATOM 0 HA THR A 69 10.548 1.480 -14.567 1.00 0.74 H new ATOM 0 HB THR A 69 8.576 1.569 -12.873 1.00 0.79 H new ATOM 0 HG1 THR A 69 7.237 2.463 -14.581 1.00 0.90 H new ATOM 0 HG21 THR A 69 7.563 3.815 -12.657 1.00 0.83 H new ATOM 0 HG22 THR A 69 9.148 3.723 -11.853 1.00 0.83 H new ATOM 0 HG23 THR A 69 8.997 4.527 -13.434 1.00 0.83 H new ATOM 1103 N ASN A 70 11.829 4.070 -13.201 1.00 0.80 N ATOM 1104 CA ASN A 70 12.634 5.254 -13.442 1.00 0.94 C ATOM 1105 C ASN A 70 13.909 4.843 -14.160 1.00 0.86 C ATOM 1106 O ASN A 70 14.622 5.664 -14.741 1.00 0.97 O ATOM 1107 CB ASN A 70 12.979 5.907 -12.108 1.00 1.01 C ATOM 1108 CG ASN A 70 13.031 7.417 -12.180 1.00 1.25 C ATOM 1109 OD1 ASN A 70 13.355 7.999 -13.217 1.00 1.46 O ATOM 1110 ND2 ASN A 70 12.707 8.064 -11.070 1.00 1.66 N ATOM 0 H ASN A 70 11.883 3.718 -12.245 1.00 0.80 H new ATOM 0 HA ASN A 70 12.082 5.965 -14.057 1.00 0.94 H new ATOM 0 HB2 ASN A 70 12.240 5.610 -11.364 1.00 1.01 H new ATOM 0 HB3 ASN A 70 13.944 5.532 -11.766 1.00 1.01 H new ATOM 0 HD21 ASN A 70 12.720 9.084 -11.052 1.00 1.66 H new ATOM 0 HD22 ASN A 70 12.445 7.542 -10.234 1.00 1.66 H new ATOM 1117 N SER A 71 14.154 3.537 -14.105 1.00 0.70 N ATOM 1118 CA SER A 71 15.234 2.876 -14.822 1.00 0.66 C ATOM 1119 C SER A 71 16.606 3.410 -14.439 1.00 0.61 C ATOM 1120 O SER A 71 17.518 3.464 -15.267 1.00 0.65 O ATOM 1121 CB SER A 71 15.017 2.989 -16.332 1.00 0.82 C ATOM 1122 OG SER A 71 13.740 2.490 -16.701 1.00 1.47 O ATOM 0 H SER A 71 13.592 2.895 -13.546 1.00 0.70 H new ATOM 0 HA SER A 71 15.213 1.825 -14.532 1.00 0.66 H new ATOM 0 HB2 SER A 71 15.107 4.031 -16.639 1.00 0.82 H new ATOM 0 HB3 SER A 71 15.794 2.434 -16.857 1.00 0.82 H new ATOM 0 HG SER A 71 13.623 2.574 -17.670 1.00 1.47 H new ATOM 1128 N ASP A 72 16.764 3.783 -13.186 1.00 0.58 N ATOM 1129 CA ASP A 72 18.055 4.249 -12.706 1.00 0.65 C ATOM 1130 C ASP A 72 18.535 3.393 -11.544 1.00 0.56 C ATOM 1131 O ASP A 72 19.679 3.511 -11.106 1.00 0.66 O ATOM 1132 CB ASP A 72 18.023 5.732 -12.319 1.00 0.80 C ATOM 1133 CG ASP A 72 17.288 6.020 -11.027 1.00 0.93 C ATOM 1134 OD1 ASP A 72 16.053 6.161 -11.063 1.00 1.56 O ATOM 1135 OD2 ASP A 72 17.954 6.162 -9.981 1.00 1.53 O ATOM 0 H ASP A 72 16.024 3.774 -12.484 1.00 0.58 H new ATOM 0 HA ASP A 72 18.765 4.148 -13.527 1.00 0.65 H new ATOM 0 HB2 ASP A 72 19.047 6.095 -12.230 1.00 0.80 H new ATOM 0 HB3 ASP A 72 17.553 6.296 -13.125 1.00 0.80 H new ATOM 1140 N GLY A 73 17.666 2.524 -11.055 1.00 0.45 N ATOM 1141 CA GLY A 73 18.065 1.594 -10.024 1.00 0.46 C ATOM 1142 C GLY A 73 17.621 2.028 -8.649 1.00 0.41 C ATOM 1143 O GLY A 73 18.285 1.726 -7.652 1.00 0.44 O ATOM 0 H GLY A 73 16.694 2.447 -11.353 1.00 0.45 H new ATOM 0 HA2 GLY A 73 17.647 0.612 -10.244 1.00 0.46 H new ATOM 0 HA3 GLY A 73 19.150 1.488 -10.035 1.00 0.46 H new ATOM 1147 N GLN A 74 16.514 2.752 -8.590 1.00 0.38 N ATOM 1148 CA GLN A 74 15.935 3.160 -7.329 1.00 0.37 C ATOM 1149 C GLN A 74 14.431 3.047 -7.422 1.00 0.36 C ATOM 1150 O GLN A 74 13.874 3.002 -8.515 1.00 0.39 O ATOM 1151 CB GLN A 74 16.289 4.605 -6.978 1.00 0.38 C ATOM 1152 CG GLN A 74 17.762 4.947 -7.110 1.00 0.42 C ATOM 1153 CD GLN A 74 18.143 6.209 -6.364 1.00 0.50 C ATOM 1154 OE1 GLN A 74 17.566 6.528 -5.329 1.00 1.03 O ATOM 1155 NE2 GLN A 74 19.109 6.945 -6.888 1.00 1.25 N ATOM 0 H GLN A 74 15.998 3.069 -9.411 1.00 0.38 H new ATOM 0 HA GLN A 74 16.336 2.510 -6.552 1.00 0.37 H new ATOM 0 HB2 GLN A 74 15.716 5.272 -7.622 1.00 0.38 H new ATOM 0 HB3 GLN A 74 15.974 4.803 -5.953 1.00 0.38 H new ATOM 0 HG2 GLN A 74 18.358 4.115 -6.735 1.00 0.42 H new ATOM 0 HG3 GLN A 74 18.009 5.066 -8.165 1.00 0.42 H new ATOM 0 HE21 GLN A 74 19.566 6.648 -7.750 1.00 1.25 H new ATOM 0 HE22 GLN A 74 19.397 7.810 -6.430 1.00 1.25 H new ATOM 1164 N LEU A 75 13.778 3.008 -6.284 1.00 0.33 N ATOM 1165 CA LEU A 75 12.333 2.951 -6.256 1.00 0.32 C ATOM 1166 C LEU A 75 11.767 4.223 -5.693 1.00 0.32 C ATOM 1167 O LEU A 75 11.984 4.552 -4.526 1.00 0.32 O ATOM 1168 CB LEU A 75 11.844 1.771 -5.436 1.00 0.31 C ATOM 1169 CG LEU A 75 12.360 0.426 -5.923 1.00 0.33 C ATOM 1170 CD1 LEU A 75 11.695 -0.701 -5.160 1.00 0.35 C ATOM 1171 CD2 LEU A 75 12.127 0.294 -7.422 1.00 0.35 C ATOM 0 H LEU A 75 14.223 3.015 -5.366 1.00 0.33 H new ATOM 0 HA LEU A 75 11.989 2.826 -7.283 1.00 0.32 H new ATOM 0 HB2 LEU A 75 12.147 1.911 -4.399 1.00 0.31 H new ATOM 0 HB3 LEU A 75 10.754 1.758 -5.450 1.00 0.31 H new ATOM 0 HG LEU A 75 13.432 0.364 -5.738 1.00 0.33 H new ATOM 0 HD11 LEU A 75 12.074 -1.657 -5.520 1.00 0.35 H new ATOM 0 HD12 LEU A 75 11.915 -0.600 -4.097 1.00 0.35 H new ATOM 0 HD13 LEU A 75 10.617 -0.658 -5.313 1.00 0.35 H new ATOM 0 HD21 LEU A 75 12.499 -0.672 -7.764 1.00 0.35 H new ATOM 0 HD22 LEU A 75 11.060 0.367 -7.632 1.00 0.35 H new ATOM 0 HD23 LEU A 75 12.655 1.092 -7.944 1.00 0.35 H new ATOM 1183 N ASP A 76 11.060 4.944 -6.528 1.00 0.35 N ATOM 1184 CA ASP A 76 10.417 6.165 -6.102 1.00 0.36 C ATOM 1185 C ASP A 76 9.162 5.859 -5.326 1.00 0.33 C ATOM 1186 O ASP A 76 8.817 4.698 -5.094 1.00 0.32 O ATOM 1187 CB ASP A 76 10.126 7.078 -7.303 1.00 0.44 C ATOM 1188 CG ASP A 76 8.657 7.129 -7.720 1.00 0.91 C ATOM 1189 OD1 ASP A 76 8.074 6.080 -8.049 1.00 1.45 O ATOM 1190 OD2 ASP A 76 8.074 8.236 -7.712 1.00 1.68 O ATOM 0 H ASP A 76 10.914 4.707 -7.509 1.00 0.35 H new ATOM 0 HA ASP A 76 11.097 6.701 -5.440 1.00 0.36 H new ATOM 0 HB2 ASP A 76 10.458 8.088 -7.064 1.00 0.44 H new ATOM 0 HB3 ASP A 76 10.720 6.740 -8.152 1.00 0.44 H new ATOM 1195 N PHE A 77 8.526 6.926 -4.912 1.00 0.41 N ATOM 1196 CA PHE A 77 7.270 6.895 -4.211 1.00 0.49 C ATOM 1197 C PHE A 77 6.337 5.805 -4.747 1.00 0.39 C ATOM 1198 O PHE A 77 5.946 4.905 -4.014 1.00 0.39 O ATOM 1199 CB PHE A 77 6.646 8.261 -4.411 1.00 0.72 C ATOM 1200 CG PHE A 77 7.439 9.386 -3.814 1.00 1.76 C ATOM 1201 CD1 PHE A 77 7.318 9.710 -2.475 1.00 2.56 C ATOM 1202 CD2 PHE A 77 8.314 10.121 -4.601 1.00 2.66 C ATOM 1203 CE1 PHE A 77 8.053 10.745 -1.931 1.00 3.67 C ATOM 1204 CE2 PHE A 77 9.051 11.155 -4.064 1.00 3.77 C ATOM 1205 CZ PHE A 77 8.921 11.468 -2.728 1.00 4.15 C ATOM 0 H PHE A 77 8.881 7.871 -5.059 1.00 0.41 H new ATOM 0 HA PHE A 77 7.431 6.665 -3.158 1.00 0.49 H new ATOM 0 HB2 PHE A 77 6.526 8.442 -5.479 1.00 0.72 H new ATOM 0 HB3 PHE A 77 5.648 8.261 -3.973 1.00 0.72 H new ATOM 0 HD1 PHE A 77 6.642 9.148 -1.848 1.00 2.56 H new ATOM 0 HD2 PHE A 77 8.419 9.880 -5.648 1.00 2.66 H new ATOM 0 HE1 PHE A 77 7.950 10.989 -0.884 1.00 3.67 H new ATOM 0 HE2 PHE A 77 9.728 11.718 -4.689 1.00 3.77 H new ATOM 0 HZ PHE A 77 9.497 12.277 -2.304 1.00 4.15 H new ATOM 1215 N SER A 78 6.031 5.862 -6.036 1.00 0.39 N ATOM 1216 CA SER A 78 5.093 4.931 -6.642 1.00 0.38 C ATOM 1217 C SER A 78 5.763 3.608 -7.005 1.00 0.38 C ATOM 1218 O SER A 78 5.094 2.587 -7.096 1.00 0.44 O ATOM 1219 CB SER A 78 4.459 5.547 -7.892 1.00 0.45 C ATOM 1220 OG SER A 78 3.456 4.697 -8.435 1.00 1.31 O ATOM 0 H SER A 78 6.421 6.547 -6.683 1.00 0.39 H new ATOM 0 HA SER A 78 4.317 4.727 -5.904 1.00 0.38 H new ATOM 0 HB2 SER A 78 4.023 6.514 -7.642 1.00 0.45 H new ATOM 0 HB3 SER A 78 5.229 5.729 -8.641 1.00 0.45 H new ATOM 0 HG SER A 78 3.068 5.116 -9.231 1.00 1.31 H new ATOM 1226 N GLU A 79 7.070 3.624 -7.222 1.00 0.36 N ATOM 1227 CA GLU A 79 7.791 2.409 -7.584 1.00 0.42 C ATOM 1228 C GLU A 79 7.868 1.457 -6.394 1.00 0.33 C ATOM 1229 O GLU A 79 7.666 0.250 -6.536 1.00 0.33 O ATOM 1230 CB GLU A 79 9.184 2.761 -8.102 1.00 0.51 C ATOM 1231 CG GLU A 79 9.135 3.609 -9.361 1.00 0.64 C ATOM 1232 CD GLU A 79 10.493 4.093 -9.825 1.00 1.81 C ATOM 1233 OE1 GLU A 79 11.161 3.361 -10.567 1.00 2.57 O ATOM 1234 OE2 GLU A 79 10.873 5.226 -9.477 1.00 2.54 O ATOM 0 H GLU A 79 7.652 4.459 -7.155 1.00 0.36 H new ATOM 0 HA GLU A 79 7.249 1.900 -8.381 1.00 0.42 H new ATOM 0 HB2 GLU A 79 9.732 3.297 -7.327 1.00 0.51 H new ATOM 0 HB3 GLU A 79 9.736 1.843 -8.306 1.00 0.51 H new ATOM 0 HG2 GLU A 79 8.674 3.029 -10.161 1.00 0.64 H new ATOM 0 HG3 GLU A 79 8.494 4.472 -9.182 1.00 0.64 H new ATOM 1241 N PHE A 80 8.122 2.010 -5.216 1.00 0.28 N ATOM 1242 CA PHE A 80 8.137 1.222 -3.991 1.00 0.25 C ATOM 1243 C PHE A 80 6.712 0.833 -3.607 1.00 0.23 C ATOM 1244 O PHE A 80 6.482 -0.204 -2.993 1.00 0.26 O ATOM 1245 CB PHE A 80 8.807 2.015 -2.863 1.00 0.31 C ATOM 1246 CG PHE A 80 8.856 1.294 -1.543 1.00 0.71 C ATOM 1247 CD1 PHE A 80 9.806 0.315 -1.306 1.00 1.60 C ATOM 1248 CD2 PHE A 80 7.951 1.601 -0.538 1.00 1.26 C ATOM 1249 CE1 PHE A 80 9.852 -0.348 -0.094 1.00 1.98 C ATOM 1250 CE2 PHE A 80 7.992 0.944 0.675 1.00 1.56 C ATOM 1251 CZ PHE A 80 8.944 -0.032 0.899 1.00 1.64 C ATOM 0 H PHE A 80 8.321 3.002 -5.083 1.00 0.28 H new ATOM 0 HA PHE A 80 8.712 0.311 -4.157 1.00 0.25 H new ATOM 0 HB2 PHE A 80 9.824 2.265 -3.165 1.00 0.31 H new ATOM 0 HB3 PHE A 80 8.274 2.956 -2.730 1.00 0.31 H new ATOM 0 HD1 PHE A 80 10.520 0.066 -2.077 1.00 1.60 H new ATOM 0 HD2 PHE A 80 7.205 2.364 -0.707 1.00 1.26 H new ATOM 0 HE1 PHE A 80 10.596 -1.112 0.077 1.00 1.98 H new ATOM 0 HE2 PHE A 80 7.280 1.193 1.449 1.00 1.56 H new ATOM 0 HZ PHE A 80 8.979 -0.547 1.848 1.00 1.64 H new ATOM 1261 N LEU A 81 5.756 1.664 -3.993 1.00 0.25 N ATOM 1262 CA LEU A 81 4.353 1.384 -3.720 1.00 0.26 C ATOM 1263 C LEU A 81 3.790 0.369 -4.698 1.00 0.26 C ATOM 1264 O LEU A 81 2.901 -0.406 -4.353 1.00 0.27 O ATOM 1265 CB LEU A 81 3.535 2.661 -3.768 1.00 0.29 C ATOM 1266 CG LEU A 81 3.800 3.635 -2.621 1.00 0.28 C ATOM 1267 CD1 LEU A 81 2.911 4.852 -2.756 1.00 0.34 C ATOM 1268 CD2 LEU A 81 3.606 2.956 -1.265 1.00 0.29 C ATOM 0 H LEU A 81 5.924 2.536 -4.495 1.00 0.25 H new ATOM 0 HA LEU A 81 4.291 0.960 -2.718 1.00 0.26 H new ATOM 0 HB2 LEU A 81 3.736 3.169 -4.711 1.00 0.29 H new ATOM 0 HB3 LEU A 81 2.477 2.399 -3.766 1.00 0.29 H new ATOM 0 HG LEU A 81 4.839 3.960 -2.676 1.00 0.28 H new ATOM 0 HD11 LEU A 81 3.108 5.540 -1.933 1.00 0.34 H new ATOM 0 HD12 LEU A 81 3.118 5.350 -3.703 1.00 0.34 H new ATOM 0 HD13 LEU A 81 1.866 4.544 -2.729 1.00 0.34 H new ATOM 0 HD21 LEU A 81 3.801 3.673 -0.468 1.00 0.29 H new ATOM 0 HD22 LEU A 81 2.582 2.593 -1.183 1.00 0.29 H new ATOM 0 HD23 LEU A 81 4.297 2.117 -1.176 1.00 0.29 H new ATOM 1280 N ASN A 82 4.297 0.382 -5.922 1.00 0.26 N ATOM 1281 CA ASN A 82 3.952 -0.647 -6.889 1.00 0.26 C ATOM 1282 C ASN A 82 4.358 -1.992 -6.334 1.00 0.23 C ATOM 1283 O ASN A 82 3.663 -2.997 -6.491 1.00 0.25 O ATOM 1284 CB ASN A 82 4.661 -0.411 -8.226 1.00 0.30 C ATOM 1285 CG ASN A 82 3.771 0.252 -9.261 1.00 0.79 C ATOM 1286 OD1 ASN A 82 2.873 1.029 -8.927 1.00 1.51 O ATOM 1287 ND2 ASN A 82 4.011 -0.056 -10.527 1.00 1.42 N ATOM 0 H ASN A 82 4.945 1.090 -6.267 1.00 0.26 H new ATOM 0 HA ASN A 82 2.877 -0.615 -7.066 1.00 0.26 H new ATOM 0 HB2 ASN A 82 5.541 0.211 -8.060 1.00 0.30 H new ATOM 0 HB3 ASN A 82 5.015 -1.365 -8.617 1.00 0.30 H new ATOM 0 HD21 ASN A 82 3.443 0.354 -11.268 1.00 1.42 H new ATOM 0 HD22 ASN A 82 4.764 -0.703 -10.760 1.00 1.42 H new ATOM 1294 N LEU A 83 5.504 -1.982 -5.681 1.00 0.23 N ATOM 1295 CA LEU A 83 5.989 -3.121 -4.936 1.00 0.24 C ATOM 1296 C LEU A 83 5.009 -3.513 -3.853 1.00 0.23 C ATOM 1297 O LEU A 83 4.578 -4.657 -3.782 1.00 0.25 O ATOM 1298 CB LEU A 83 7.309 -2.763 -4.292 1.00 0.27 C ATOM 1299 CG LEU A 83 7.682 -3.631 -3.105 1.00 0.31 C ATOM 1300 CD1 LEU A 83 8.068 -5.029 -3.564 1.00 0.35 C ATOM 1301 CD2 LEU A 83 8.792 -2.982 -2.310 1.00 0.36 C ATOM 0 H LEU A 83 6.128 -1.175 -5.654 1.00 0.23 H new ATOM 0 HA LEU A 83 6.110 -3.959 -5.622 1.00 0.24 H new ATOM 0 HB2 LEU A 83 8.097 -2.836 -5.042 1.00 0.27 H new ATOM 0 HB3 LEU A 83 7.272 -1.723 -3.969 1.00 0.27 H new ATOM 0 HG LEU A 83 6.814 -3.727 -2.452 1.00 0.31 H new ATOM 0 HD11 LEU A 83 8.332 -5.636 -2.698 1.00 0.35 H new ATOM 0 HD12 LEU A 83 7.227 -5.486 -4.085 1.00 0.35 H new ATOM 0 HD13 LEU A 83 8.922 -4.968 -4.238 1.00 0.35 H new ATOM 0 HD21 LEU A 83 9.050 -3.615 -1.461 1.00 0.36 H new ATOM 0 HD22 LEU A 83 9.668 -2.853 -2.946 1.00 0.36 H new ATOM 0 HD23 LEU A 83 8.460 -2.009 -1.949 1.00 0.36 H new ATOM 1313 N ILE A 84 4.694 -2.550 -3.000 1.00 0.24 N ATOM 1314 CA ILE A 84 3.749 -2.742 -1.915 1.00 0.26 C ATOM 1315 C ILE A 84 2.456 -3.372 -2.430 1.00 0.27 C ATOM 1316 O ILE A 84 1.863 -4.227 -1.773 1.00 0.29 O ATOM 1317 CB ILE A 84 3.459 -1.393 -1.226 1.00 0.29 C ATOM 1318 CG1 ILE A 84 4.712 -0.869 -0.519 1.00 0.55 C ATOM 1319 CG2 ILE A 84 2.292 -1.503 -0.250 1.00 0.47 C ATOM 1320 CD1 ILE A 84 5.278 -1.812 0.520 1.00 0.62 C ATOM 0 H ILE A 84 5.089 -1.611 -3.043 1.00 0.24 H new ATOM 0 HA ILE A 84 4.188 -3.422 -1.185 1.00 0.26 H new ATOM 0 HB ILE A 84 3.174 -0.679 -1.999 1.00 0.29 H new ATOM 0 HG12 ILE A 84 5.479 -0.667 -1.266 1.00 0.55 H new ATOM 0 HG13 ILE A 84 4.475 0.081 -0.040 1.00 0.55 H new ATOM 0 HG21 ILE A 84 2.116 -0.534 0.217 1.00 0.47 H new ATOM 0 HG22 ILE A 84 1.396 -1.815 -0.787 1.00 0.47 H new ATOM 0 HG23 ILE A 84 2.529 -2.239 0.519 1.00 0.47 H new ATOM 0 HD11 ILE A 84 6.163 -1.365 0.973 1.00 0.62 H new ATOM 0 HD12 ILE A 84 4.530 -1.996 1.291 1.00 0.62 H new ATOM 0 HD13 ILE A 84 5.550 -2.755 0.046 1.00 0.62 H new ATOM 1332 N GLY A 85 2.050 -2.964 -3.625 1.00 0.26 N ATOM 1333 CA GLY A 85 0.901 -3.561 -4.271 1.00 0.29 C ATOM 1334 C GLY A 85 1.083 -5.048 -4.521 1.00 0.29 C ATOM 1335 O GLY A 85 0.214 -5.845 -4.177 1.00 0.33 O ATOM 0 H GLY A 85 2.502 -2.223 -4.161 1.00 0.26 H new ATOM 0 HA2 GLY A 85 0.018 -3.405 -3.651 1.00 0.29 H new ATOM 0 HA3 GLY A 85 0.718 -3.056 -5.219 1.00 0.29 H new ATOM 1339 N GLY A 86 2.230 -5.431 -5.081 1.00 0.28 N ATOM 1340 CA GLY A 86 2.461 -6.826 -5.413 1.00 0.31 C ATOM 1341 C GLY A 86 2.693 -7.650 -4.169 1.00 0.29 C ATOM 1342 O GLY A 86 2.315 -8.820 -4.096 1.00 0.35 O ATOM 0 H GLY A 86 3.000 -4.802 -5.309 1.00 0.28 H new ATOM 0 HA2 GLY A 86 1.604 -7.220 -5.959 1.00 0.31 H new ATOM 0 HA3 GLY A 86 3.324 -6.908 -6.073 1.00 0.31 H new ATOM 1346 N LEU A 87 3.300 -7.012 -3.186 1.00 0.25 N ATOM 1347 CA LEU A 87 3.535 -7.614 -1.888 1.00 0.25 C ATOM 1348 C LEU A 87 2.216 -7.944 -1.231 1.00 0.26 C ATOM 1349 O LEU A 87 1.960 -9.089 -0.858 1.00 0.29 O ATOM 1350 CB LEU A 87 4.294 -6.644 -0.994 1.00 0.25 C ATOM 1351 CG LEU A 87 5.787 -6.513 -1.256 1.00 0.26 C ATOM 1352 CD1 LEU A 87 6.341 -5.362 -0.447 1.00 0.26 C ATOM 1353 CD2 LEU A 87 6.510 -7.802 -0.904 1.00 0.35 C ATOM 0 H LEU A 87 3.646 -6.056 -3.267 1.00 0.25 H new ATOM 0 HA LEU A 87 4.120 -8.523 -2.027 1.00 0.25 H new ATOM 0 HB2 LEU A 87 3.841 -5.658 -1.097 1.00 0.25 H new ATOM 0 HB3 LEU A 87 4.154 -6.953 0.042 1.00 0.25 H new ATOM 0 HG LEU A 87 5.944 -6.317 -2.317 1.00 0.26 H new ATOM 0 HD11 LEU A 87 7.411 -5.267 -0.634 1.00 0.26 H new ATOM 0 HD12 LEU A 87 5.839 -4.439 -0.737 1.00 0.26 H new ATOM 0 HD13 LEU A 87 6.173 -5.549 0.614 1.00 0.26 H new ATOM 0 HD21 LEU A 87 7.576 -7.686 -1.099 1.00 0.35 H new ATOM 0 HD22 LEU A 87 6.357 -8.029 0.151 1.00 0.35 H new ATOM 0 HD23 LEU A 87 6.117 -8.617 -1.511 1.00 0.35 H new ATOM 1365 N ALA A 88 1.377 -6.923 -1.104 1.00 0.25 N ATOM 1366 CA ALA A 88 0.081 -7.071 -0.476 1.00 0.27 C ATOM 1367 C ALA A 88 -0.741 -8.113 -1.181 1.00 0.30 C ATOM 1368 O ALA A 88 -1.513 -8.834 -0.561 1.00 0.35 O ATOM 1369 CB ALA A 88 -0.678 -5.766 -0.487 1.00 0.27 C ATOM 0 H ALA A 88 1.579 -5.979 -1.432 1.00 0.25 H new ATOM 0 HA ALA A 88 0.256 -7.380 0.554 1.00 0.27 H new ATOM 0 HB1 ALA A 88 -1.648 -5.905 -0.009 1.00 0.27 H new ATOM 0 HB2 ALA A 88 -0.111 -5.011 0.057 1.00 0.27 H new ATOM 0 HB3 ALA A 88 -0.824 -5.439 -1.516 1.00 0.27 H new ATOM 1375 N MET A 89 -0.580 -8.176 -2.486 1.00 0.29 N ATOM 1376 CA MET A 89 -1.307 -9.130 -3.281 1.00 0.33 C ATOM 1377 C MET A 89 -0.843 -10.542 -2.984 1.00 0.34 C ATOM 1378 O MET A 89 -1.654 -11.458 -2.878 1.00 0.39 O ATOM 1379 CB MET A 89 -1.161 -8.821 -4.764 1.00 0.35 C ATOM 1380 CG MET A 89 -1.964 -7.613 -5.191 1.00 0.42 C ATOM 1381 SD MET A 89 -2.164 -7.514 -6.980 1.00 1.03 S ATOM 1382 CE MET A 89 -0.461 -7.347 -7.511 1.00 1.89 C ATOM 0 H MET A 89 0.051 -7.574 -3.015 1.00 0.29 H new ATOM 0 HA MET A 89 -2.362 -9.054 -3.018 1.00 0.33 H new ATOM 0 HB2 MET A 89 -0.109 -8.652 -4.994 1.00 0.35 H new ATOM 0 HB3 MET A 89 -1.479 -9.687 -5.344 1.00 0.35 H new ATOM 0 HG2 MET A 89 -2.946 -7.649 -4.720 1.00 0.42 H new ATOM 0 HG3 MET A 89 -1.472 -6.709 -4.833 1.00 0.42 H new ATOM 0 HE1 MET A 89 -0.423 -7.292 -8.599 1.00 1.89 H new ATOM 0 HE2 MET A 89 -0.035 -6.438 -7.087 1.00 1.89 H new ATOM 0 HE3 MET A 89 0.112 -8.209 -7.171 1.00 1.89 H new ATOM 1392 N ALA A 90 0.462 -10.708 -2.820 1.00 0.34 N ATOM 1393 CA ALA A 90 1.034 -12.008 -2.514 1.00 0.40 C ATOM 1394 C ALA A 90 0.669 -12.425 -1.096 1.00 0.42 C ATOM 1395 O ALA A 90 0.344 -13.583 -0.839 1.00 0.49 O ATOM 1396 CB ALA A 90 2.541 -11.970 -2.691 1.00 0.46 C ATOM 0 H ALA A 90 1.145 -9.954 -2.894 1.00 0.34 H new ATOM 0 HA ALA A 90 0.624 -12.745 -3.204 1.00 0.40 H new ATOM 0 HB1 ALA A 90 2.959 -12.949 -2.459 1.00 0.46 H new ATOM 0 HB2 ALA A 90 2.780 -11.708 -3.722 1.00 0.46 H new ATOM 0 HB3 ALA A 90 2.968 -11.225 -2.019 1.00 0.46 H new ATOM 1402 N CYS A 91 0.706 -11.461 -0.188 1.00 0.41 N ATOM 1403 CA CYS A 91 0.359 -11.696 1.204 1.00 0.47 C ATOM 1404 C CYS A 91 -1.135 -11.971 1.346 1.00 0.45 C ATOM 1405 O CYS A 91 -1.546 -12.853 2.094 1.00 0.51 O ATOM 1406 CB CYS A 91 0.765 -10.491 2.055 1.00 0.55 C ATOM 1407 SG CYS A 91 2.531 -10.113 1.989 1.00 1.76 S ATOM 0 H CYS A 91 0.976 -10.499 -0.395 1.00 0.41 H new ATOM 0 HA CYS A 91 0.901 -12.574 1.556 1.00 0.47 H new ATOM 0 HB2 CYS A 91 0.203 -9.618 1.723 1.00 0.55 H new ATOM 0 HB3 CYS A 91 0.481 -10.677 3.091 1.00 0.55 H new ATOM 0 HG CYS A 91 2.821 -9.596 0.832 1.00 1.76 H new ATOM 1413 N HIS A 92 -1.948 -11.226 0.609 1.00 0.41 N ATOM 1414 CA HIS A 92 -3.390 -11.420 0.640 1.00 0.46 C ATOM 1415 C HIS A 92 -3.728 -12.754 0.000 1.00 0.45 C ATOM 1416 O HIS A 92 -4.658 -13.432 0.420 1.00 0.49 O ATOM 1417 CB HIS A 92 -4.123 -10.295 -0.095 1.00 0.54 C ATOM 1418 CG HIS A 92 -5.468 -9.976 0.487 1.00 1.21 C ATOM 1419 ND1 HIS A 92 -6.386 -10.939 0.850 1.00 2.13 N ATOM 1420 CD2 HIS A 92 -6.037 -8.785 0.795 1.00 1.96 C ATOM 1421 CE1 HIS A 92 -7.458 -10.356 1.358 1.00 2.74 C ATOM 1422 NE2 HIS A 92 -7.272 -9.050 1.338 1.00 2.62 N ATOM 0 H HIS A 92 -1.634 -10.484 -0.016 1.00 0.41 H new ATOM 0 HA HIS A 92 -3.716 -11.408 1.680 1.00 0.46 H new ATOM 0 HB2 HIS A 92 -3.506 -9.397 -0.076 1.00 0.54 H new ATOM 0 HB3 HIS A 92 -4.246 -10.575 -1.141 1.00 0.54 H new ATOM 0 HD1 HIS A 92 -6.258 -11.945 0.743 1.00 2.13 H new ATOM 0 HD2 HIS A 92 -5.601 -7.809 0.642 1.00 1.96 H new ATOM 0 HE1 HIS A 92 -8.337 -10.863 1.727 1.00 2.74 H new ATOM 1431 N ASP A 93 -2.961 -13.113 -1.020 1.00 0.45 N ATOM 1432 CA ASP A 93 -3.111 -14.400 -1.687 1.00 0.52 C ATOM 1433 C ASP A 93 -2.735 -15.526 -0.733 1.00 0.56 C ATOM 1434 O ASP A 93 -3.326 -16.597 -0.757 1.00 0.65 O ATOM 1435 CB ASP A 93 -2.241 -14.443 -2.944 1.00 0.54 C ATOM 1436 CG ASP A 93 -2.412 -15.720 -3.739 1.00 0.93 C ATOM 1437 OD1 ASP A 93 -3.451 -15.861 -4.420 1.00 1.48 O ATOM 1438 OD2 ASP A 93 -1.499 -16.572 -3.706 1.00 1.75 O ATOM 0 H ASP A 93 -2.222 -12.526 -1.407 1.00 0.45 H new ATOM 0 HA ASP A 93 -4.152 -14.531 -1.984 1.00 0.52 H new ATOM 0 HB2 ASP A 93 -2.486 -13.591 -3.578 1.00 0.54 H new ATOM 0 HB3 ASP A 93 -1.194 -14.337 -2.659 1.00 0.54 H new ATOM 1443 N SER A 94 -1.766 -15.251 0.131 1.00 0.54 N ATOM 1444 CA SER A 94 -1.367 -16.189 1.168 1.00 0.60 C ATOM 1445 C SER A 94 -2.542 -16.439 2.095 1.00 0.63 C ATOM 1446 O SER A 94 -2.838 -17.576 2.453 1.00 0.70 O ATOM 1447 CB SER A 94 -0.194 -15.623 1.970 1.00 0.65 C ATOM 1448 OG SER A 94 0.322 -16.582 2.879 1.00 1.27 O ATOM 0 H SER A 94 -1.239 -14.378 0.132 1.00 0.54 H new ATOM 0 HA SER A 94 -1.057 -17.125 0.703 1.00 0.60 H new ATOM 0 HB2 SER A 94 0.595 -15.304 1.288 1.00 0.65 H new ATOM 0 HB3 SER A 94 -0.519 -14.738 2.518 1.00 0.65 H new ATOM 0 HG SER A 94 1.071 -16.192 3.376 1.00 1.27 H new ATOM 1454 N PHE A 95 -3.212 -15.352 2.463 1.00 0.60 N ATOM 1455 CA PHE A 95 -4.419 -15.415 3.270 1.00 0.66 C ATOM 1456 C PHE A 95 -5.499 -16.205 2.549 1.00 0.72 C ATOM 1457 O PHE A 95 -6.224 -16.973 3.153 1.00 0.84 O ATOM 1458 CB PHE A 95 -4.926 -14.001 3.556 1.00 0.64 C ATOM 1459 CG PHE A 95 -4.281 -13.341 4.745 1.00 0.78 C ATOM 1460 CD1 PHE A 95 -2.940 -12.995 4.727 1.00 1.80 C ATOM 1461 CD2 PHE A 95 -5.023 -13.061 5.882 1.00 1.30 C ATOM 1462 CE1 PHE A 95 -2.350 -12.384 5.817 1.00 2.35 C ATOM 1463 CE2 PHE A 95 -4.439 -12.449 6.976 1.00 1.76 C ATOM 1464 CZ PHE A 95 -3.100 -12.110 6.942 1.00 2.08 C ATOM 0 H PHE A 95 -2.932 -14.405 2.209 1.00 0.60 H new ATOM 0 HA PHE A 95 -4.183 -15.915 4.209 1.00 0.66 H new ATOM 0 HB2 PHE A 95 -4.757 -13.382 2.675 1.00 0.64 H new ATOM 0 HB3 PHE A 95 -6.003 -14.039 3.716 1.00 0.64 H new ATOM 0 HD1 PHE A 95 -2.347 -13.206 3.849 1.00 1.80 H new ATOM 0 HD2 PHE A 95 -6.070 -13.324 5.914 1.00 1.30 H new ATOM 0 HE1 PHE A 95 -1.303 -12.121 5.788 1.00 2.35 H new ATOM 0 HE2 PHE A 95 -5.029 -12.236 7.856 1.00 1.76 H new ATOM 0 HZ PHE A 95 -2.641 -11.631 7.795 1.00 2.08 H new ATOM 1737 N PRO B 7 6.544 -8.694 12.111 1.00 0.70 N ATOM 1738 CA PRO B 7 6.062 -7.822 11.044 1.00 0.54 C ATOM 1739 C PRO B 7 6.715 -6.455 11.123 1.00 0.45 C ATOM 1740 O PRO B 7 7.060 -5.980 12.207 1.00 0.57 O ATOM 1741 CB PRO B 7 4.576 -7.708 11.348 1.00 0.62 C ATOM 1742 CG PRO B 7 4.530 -7.759 12.830 1.00 0.75 C ATOM 1743 CD PRO B 7 5.578 -8.767 13.226 1.00 0.82 C ATOM 0 HA PRO B 7 6.281 -8.206 10.048 1.00 0.54 H new ATOM 0 HB2 PRO B 7 4.156 -6.778 10.964 1.00 0.62 H new ATOM 0 HB3 PRO B 7 4.009 -8.524 10.899 1.00 0.62 H new ATOM 0 HG2 PRO B 7 4.741 -6.782 13.264 1.00 0.75 H new ATOM 0 HG3 PRO B 7 3.543 -8.058 13.183 1.00 0.75 H new ATOM 0 HD2 PRO B 7 6.042 -8.514 14.179 1.00 0.82 H new ATOM 0 HD3 PRO B 7 5.157 -9.767 13.331 1.00 0.82 H new ATOM 1751 N THR B 8 6.901 -5.834 9.988 1.00 0.34 N ATOM 1752 CA THR B 8 7.503 -4.524 9.941 1.00 0.27 C ATOM 1753 C THR B 8 6.457 -3.458 9.704 1.00 0.28 C ATOM 1754 O THR B 8 5.267 -3.752 9.706 1.00 0.34 O ATOM 1755 CB THR B 8 8.520 -4.453 8.821 1.00 0.29 C ATOM 1756 OG1 THR B 8 7.821 -4.430 7.574 1.00 0.37 O ATOM 1757 CG2 THR B 8 9.458 -5.645 8.881 1.00 0.33 C ATOM 0 H THR B 8 6.643 -6.215 9.078 1.00 0.34 H new ATOM 0 HA THR B 8 7.989 -4.350 10.901 1.00 0.27 H new ATOM 0 HB THR B 8 9.121 -3.549 8.924 1.00 0.29 H new ATOM 0 HG1 THR B 8 8.461 -4.527 6.838 1.00 0.37 H new ATOM 0 HG21 THR B 8 10.183 -5.579 8.069 1.00 0.33 H new ATOM 0 HG22 THR B 8 9.982 -5.648 9.837 1.00 0.33 H new ATOM 0 HG23 THR B 8 8.883 -6.566 8.780 1.00 0.33 H new ATOM 1765 N GLU B 9 6.903 -2.240 9.444 1.00 0.28 N ATOM 1766 CA GLU B 9 6.003 -1.122 9.227 1.00 0.33 C ATOM 1767 C GLU B 9 5.287 -1.256 7.885 1.00 0.36 C ATOM 1768 O GLU B 9 4.112 -0.911 7.759 1.00 0.52 O ATOM 1769 CB GLU B 9 6.796 0.180 9.299 1.00 0.40 C ATOM 1770 CG GLU B 9 5.948 1.428 9.232 1.00 0.56 C ATOM 1771 CD GLU B 9 6.581 2.583 9.980 1.00 1.73 C ATOM 1772 OE1 GLU B 9 7.722 2.970 9.646 1.00 2.47 O ATOM 1773 OE2 GLU B 9 5.944 3.100 10.920 1.00 2.48 O ATOM 0 H GLU B 9 7.892 -2.000 9.378 1.00 0.28 H new ATOM 0 HA GLU B 9 5.239 -1.116 10.004 1.00 0.33 H new ATOM 0 HB2 GLU B 9 7.368 0.193 10.227 1.00 0.40 H new ATOM 0 HB3 GLU B 9 7.516 0.199 8.481 1.00 0.40 H new ATOM 0 HG2 GLU B 9 5.798 1.709 8.190 1.00 0.56 H new ATOM 0 HG3 GLU B 9 4.963 1.221 9.651 1.00 0.56 H new ATOM 1780 N THR B 10 5.983 -1.793 6.897 1.00 0.26 N ATOM 1781 CA THR B 10 5.394 -1.980 5.583 1.00 0.27 C ATOM 1782 C THR B 10 4.570 -3.254 5.548 1.00 0.27 C ATOM 1783 O THR B 10 3.479 -3.268 4.989 1.00 0.31 O ATOM 1784 CB THR B 10 6.450 -1.973 4.449 1.00 0.27 C ATOM 1785 OG1 THR B 10 6.046 -2.827 3.377 1.00 0.40 O ATOM 1786 CG2 THR B 10 7.818 -2.397 4.955 1.00 0.26 C ATOM 0 H THR B 10 6.951 -2.105 6.979 1.00 0.26 H new ATOM 0 HA THR B 10 4.738 -1.129 5.402 1.00 0.27 H new ATOM 0 HB THR B 10 6.524 -0.949 4.083 1.00 0.27 H new ATOM 0 HG1 THR B 10 6.647 -2.700 2.613 1.00 0.40 H new ATOM 0 HG21 THR B 10 8.532 -2.380 4.132 1.00 0.26 H new ATOM 0 HG22 THR B 10 8.147 -1.710 5.735 1.00 0.26 H new ATOM 0 HG23 THR B 10 7.758 -3.406 5.363 1.00 0.26 H new ATOM 1794 N GLU B 11 5.053 -4.308 6.193 1.00 0.24 N ATOM 1795 CA GLU B 11 4.299 -5.550 6.233 1.00 0.27 C ATOM 1796 C GLU B 11 2.984 -5.337 6.955 1.00 0.30 C ATOM 1797 O GLU B 11 1.938 -5.764 6.485 1.00 0.32 O ATOM 1798 CB GLU B 11 5.084 -6.656 6.915 1.00 0.29 C ATOM 1799 CG GLU B 11 6.448 -6.878 6.304 1.00 0.41 C ATOM 1800 CD GLU B 11 7.311 -7.828 7.108 1.00 1.11 C ATOM 1801 OE1 GLU B 11 6.908 -8.189 8.230 1.00 1.85 O ATOM 1802 OE2 GLU B 11 8.399 -8.210 6.624 1.00 1.71 O ATOM 0 H GLU B 11 5.946 -4.328 6.686 1.00 0.24 H new ATOM 0 HA GLU B 11 4.107 -5.855 5.204 1.00 0.27 H new ATOM 0 HB2 GLU B 11 5.201 -6.413 7.971 1.00 0.29 H new ATOM 0 HB3 GLU B 11 4.514 -7.583 6.863 1.00 0.29 H new ATOM 0 HG2 GLU B 11 6.328 -7.272 5.295 1.00 0.41 H new ATOM 0 HG3 GLU B 11 6.960 -5.920 6.214 1.00 0.41 H new ATOM 1809 N ARG B 12 3.035 -4.645 8.086 1.00 0.35 N ATOM 1810 CA ARG B 12 1.825 -4.375 8.852 1.00 0.42 C ATOM 1811 C ARG B 12 0.905 -3.455 8.064 1.00 0.43 C ATOM 1812 O ARG B 12 -0.313 -3.568 8.151 1.00 0.47 O ATOM 1813 CB ARG B 12 2.137 -3.809 10.252 1.00 0.48 C ATOM 1814 CG ARG B 12 2.832 -2.452 10.290 1.00 0.49 C ATOM 1815 CD ARG B 12 1.876 -1.306 10.025 1.00 0.56 C ATOM 1816 NE ARG B 12 2.476 -0.011 10.335 1.00 1.08 N ATOM 1817 CZ ARG B 12 2.479 0.542 11.547 1.00 1.34 C ATOM 1818 NH1 ARG B 12 1.887 -0.072 12.566 1.00 1.86 N ATOM 1819 NH2 ARG B 12 3.059 1.722 11.734 1.00 1.95 N ATOM 0 H ARG B 12 3.891 -4.264 8.490 1.00 0.35 H new ATOM 0 HA ARG B 12 1.310 -5.322 9.015 1.00 0.42 H new ATOM 0 HB2 ARG B 12 1.202 -3.731 10.806 1.00 0.48 H new ATOM 0 HB3 ARG B 12 2.762 -4.529 10.781 1.00 0.48 H new ATOM 0 HG2 ARG B 12 3.300 -2.313 11.265 1.00 0.49 H new ATOM 0 HG3 ARG B 12 3.630 -2.435 9.548 1.00 0.49 H new ATOM 0 HD2 ARG B 12 1.571 -1.323 8.979 1.00 0.56 H new ATOM 0 HD3 ARG B 12 0.974 -1.440 10.623 1.00 0.56 H new ATOM 0 HE ARG B 12 2.921 0.503 9.575 1.00 1.08 H new ATOM 0 HH11 ARG B 12 1.427 -0.971 12.422 1.00 1.86 H new ATOM 0 HH12 ARG B 12 1.892 0.356 13.492 1.00 1.86 H new ATOM 0 HH21 ARG B 12 3.501 2.203 10.951 1.00 1.95 H new ATOM 0 HH22 ARG B 12 3.063 2.147 12.661 1.00 1.95 H new ATOM 1833 N CYS B 13 1.499 -2.556 7.282 1.00 0.42 N ATOM 1834 CA CYS B 13 0.739 -1.705 6.380 1.00 0.44 C ATOM 1835 C CYS B 13 -0.006 -2.574 5.392 1.00 0.30 C ATOM 1836 O CYS B 13 -1.195 -2.393 5.134 1.00 0.29 O ATOM 1837 CB CYS B 13 1.678 -0.759 5.618 1.00 0.57 C ATOM 1838 SG CYS B 13 1.468 -0.806 3.825 1.00 2.16 S ATOM 0 H CYS B 13 2.507 -2.401 7.258 1.00 0.42 H new ATOM 0 HA CYS B 13 0.035 -1.109 6.961 1.00 0.44 H new ATOM 0 HB2 CYS B 13 1.512 0.260 5.967 1.00 0.57 H new ATOM 0 HB3 CYS B 13 2.710 -1.015 5.860 1.00 0.57 H new ATOM 0 HG CYS B 13 2.384 -1.565 3.301 1.00 2.16 H new ATOM 1844 N ILE B 14 0.721 -3.528 4.867 1.00 0.26 N ATOM 1845 CA ILE B 14 0.215 -4.441 3.883 1.00 0.24 C ATOM 1846 C ILE B 14 -0.898 -5.307 4.452 1.00 0.21 C ATOM 1847 O ILE B 14 -1.921 -5.531 3.805 1.00 0.23 O ATOM 1848 CB ILE B 14 1.371 -5.307 3.366 1.00 0.24 C ATOM 1849 CG1 ILE B 14 2.294 -4.461 2.488 1.00 0.25 C ATOM 1850 CG2 ILE B 14 0.854 -6.519 2.620 1.00 0.27 C ATOM 1851 CD1 ILE B 14 3.563 -5.178 2.102 1.00 0.27 C ATOM 0 H ILE B 14 1.696 -3.692 5.118 1.00 0.26 H new ATOM 0 HA ILE B 14 -0.213 -3.873 3.057 1.00 0.24 H new ATOM 0 HB ILE B 14 1.944 -5.677 4.217 1.00 0.24 H new ATOM 0 HG12 ILE B 14 1.759 -4.169 1.584 1.00 0.25 H new ATOM 0 HG13 ILE B 14 2.549 -3.543 3.018 1.00 0.25 H new ATOM 0 HG21 ILE B 14 1.695 -7.114 2.265 1.00 0.27 H new ATOM 0 HG22 ILE B 14 0.239 -7.122 3.288 1.00 0.27 H new ATOM 0 HG23 ILE B 14 0.255 -6.194 1.769 1.00 0.27 H new ATOM 0 HD11 ILE B 14 4.175 -4.525 1.480 1.00 0.27 H new ATOM 0 HD12 ILE B 14 4.117 -5.446 3.001 1.00 0.27 H new ATOM 0 HD13 ILE B 14 3.315 -6.082 1.546 1.00 0.27 H new ATOM 1863 N GLU B 15 -0.718 -5.751 5.685 1.00 0.24 N ATOM 1864 CA GLU B 15 -1.689 -6.603 6.328 1.00 0.28 C ATOM 1865 C GLU B 15 -2.881 -5.771 6.743 1.00 0.30 C ATOM 1866 O GLU B 15 -3.977 -6.287 6.945 1.00 0.34 O ATOM 1867 CB GLU B 15 -1.081 -7.292 7.542 1.00 0.32 C ATOM 1868 CG GLU B 15 0.196 -8.060 7.238 1.00 0.32 C ATOM 1869 CD GLU B 15 0.705 -8.820 8.442 1.00 0.38 C ATOM 1870 OE1 GLU B 15 1.046 -8.179 9.455 1.00 1.06 O ATOM 1871 OE2 GLU B 15 0.740 -10.065 8.389 1.00 1.25 O ATOM 0 H GLU B 15 0.097 -5.531 6.258 1.00 0.24 H new ATOM 0 HA GLU B 15 -2.007 -7.374 5.626 1.00 0.28 H new ATOM 0 HB2 GLU B 15 -0.870 -6.543 8.305 1.00 0.32 H new ATOM 0 HB3 GLU B 15 -1.815 -7.979 7.964 1.00 0.32 H new ATOM 0 HG2 GLU B 15 0.013 -8.758 6.421 1.00 0.32 H new ATOM 0 HG3 GLU B 15 0.964 -7.365 6.898 1.00 0.32 H new ATOM 1878 N SER B 16 -2.651 -4.475 6.869 1.00 0.31 N ATOM 1879 CA SER B 16 -3.714 -3.541 7.145 1.00 0.37 C ATOM 1880 C SER B 16 -4.640 -3.446 5.949 1.00 0.28 C ATOM 1881 O SER B 16 -5.857 -3.500 6.087 1.00 0.28 O ATOM 1882 CB SER B 16 -3.143 -2.168 7.486 1.00 0.54 C ATOM 1883 OG SER B 16 -2.442 -2.203 8.713 1.00 0.97 O ATOM 0 H SER B 16 -1.728 -4.049 6.783 1.00 0.31 H new ATOM 0 HA SER B 16 -4.282 -3.898 8.004 1.00 0.37 H new ATOM 0 HB2 SER B 16 -2.474 -1.840 6.690 1.00 0.54 H new ATOM 0 HB3 SER B 16 -3.951 -1.438 7.545 1.00 0.54 H new ATOM 0 HG SER B 16 -1.779 -2.924 8.690 1.00 0.97 H new ATOM 1889 N LEU B 17 -4.051 -3.327 4.773 1.00 0.27 N ATOM 1890 CA LEU B 17 -4.814 -3.306 3.540 1.00 0.28 C ATOM 1891 C LEU B 17 -5.512 -4.633 3.356 1.00 0.27 C ATOM 1892 O LEU B 17 -6.658 -4.684 2.929 1.00 0.32 O ATOM 1893 CB LEU B 17 -3.892 -3.028 2.366 1.00 0.29 C ATOM 1894 CG LEU B 17 -3.002 -1.811 2.572 1.00 0.33 C ATOM 1895 CD1 LEU B 17 -1.960 -1.692 1.472 1.00 0.33 C ATOM 1896 CD2 LEU B 17 -3.858 -0.555 2.654 1.00 0.46 C ATOM 0 H LEU B 17 -3.042 -3.243 4.647 1.00 0.27 H new ATOM 0 HA LEU B 17 -5.562 -2.515 3.590 1.00 0.28 H new ATOM 0 HB2 LEU B 17 -3.265 -3.902 2.191 1.00 0.29 H new ATOM 0 HB3 LEU B 17 -4.493 -2.882 1.468 1.00 0.29 H new ATOM 0 HG LEU B 17 -2.463 -1.932 3.512 1.00 0.33 H new ATOM 0 HD11 LEU B 17 -1.342 -0.812 1.650 1.00 0.33 H new ATOM 0 HD12 LEU B 17 -1.332 -2.583 1.468 1.00 0.33 H new ATOM 0 HD13 LEU B 17 -2.459 -1.596 0.507 1.00 0.33 H new ATOM 0 HD21 LEU B 17 -3.216 0.314 2.802 1.00 0.46 H new ATOM 0 HD22 LEU B 17 -4.421 -0.437 1.728 1.00 0.46 H new ATOM 0 HD23 LEU B 17 -4.551 -0.641 3.491 1.00 0.46 H new ATOM 1908 N ILE B 18 -4.813 -5.707 3.699 1.00 0.27 N ATOM 1909 CA ILE B 18 -5.411 -7.028 3.707 1.00 0.30 C ATOM 1910 C ILE B 18 -6.637 -7.040 4.607 1.00 0.28 C ATOM 1911 O ILE B 18 -7.686 -7.558 4.229 1.00 0.30 O ATOM 1912 CB ILE B 18 -4.411 -8.108 4.188 1.00 0.36 C ATOM 1913 CG1 ILE B 18 -3.277 -8.274 3.176 1.00 0.62 C ATOM 1914 CG2 ILE B 18 -5.128 -9.433 4.416 1.00 0.47 C ATOM 1915 CD1 ILE B 18 -2.227 -9.277 3.598 1.00 1.37 C ATOM 0 H ILE B 18 -3.831 -5.685 3.975 1.00 0.27 H new ATOM 0 HA ILE B 18 -5.699 -7.263 2.682 1.00 0.30 H new ATOM 0 HB ILE B 18 -3.980 -7.785 5.135 1.00 0.36 H new ATOM 0 HG12 ILE B 18 -3.698 -8.583 2.219 1.00 0.62 H new ATOM 0 HG13 ILE B 18 -2.800 -7.307 3.017 1.00 0.62 H new ATOM 0 HG21 ILE B 18 -4.411 -10.181 4.754 1.00 0.47 H new ATOM 0 HG22 ILE B 18 -5.901 -9.303 5.174 1.00 0.47 H new ATOM 0 HG23 ILE B 18 -5.586 -9.764 3.484 1.00 0.47 H new ATOM 0 HD11 ILE B 18 -1.455 -9.341 2.831 1.00 1.37 H new ATOM 0 HD12 ILE B 18 -1.778 -8.959 4.539 1.00 1.37 H new ATOM 0 HD13 ILE B 18 -2.690 -10.255 3.729 1.00 1.37 H new ATOM 1927 N ALA B 19 -6.493 -6.437 5.779 1.00 0.25 N ATOM 1928 CA ALA B 19 -7.558 -6.394 6.764 1.00 0.25 C ATOM 1929 C ALA B 19 -8.742 -5.565 6.280 1.00 0.23 C ATOM 1930 O ALA B 19 -9.844 -6.094 6.147 1.00 0.27 O ATOM 1931 CB ALA B 19 -7.027 -5.852 8.081 1.00 0.28 C ATOM 0 H ALA B 19 -5.636 -5.966 6.071 1.00 0.25 H new ATOM 0 HA ALA B 19 -7.916 -7.412 6.916 1.00 0.25 H new ATOM 0 HB1 ALA B 19 -7.833 -5.823 8.814 1.00 0.28 H new ATOM 0 HB2 ALA B 19 -6.228 -6.498 8.445 1.00 0.28 H new ATOM 0 HB3 ALA B 19 -6.638 -4.845 7.930 1.00 0.28 H new ATOM 1937 N VAL B 20 -8.518 -4.277 5.998 1.00 0.20 N ATOM 1938 CA VAL B 20 -9.609 -3.392 5.593 1.00 0.22 C ATOM 1939 C VAL B 20 -10.238 -3.893 4.306 1.00 0.23 C ATOM 1940 O VAL B 20 -11.457 -3.869 4.156 1.00 0.27 O ATOM 1941 CB VAL B 20 -9.174 -1.908 5.429 1.00 0.27 C ATOM 1942 CG1 VAL B 20 -8.120 -1.558 6.444 1.00 0.87 C ATOM 1943 CG2 VAL B 20 -8.674 -1.597 4.023 1.00 0.87 C ATOM 0 H VAL B 20 -7.602 -3.831 6.043 1.00 0.20 H new ATOM 0 HA VAL B 20 -10.340 -3.414 6.401 1.00 0.22 H new ATOM 0 HB VAL B 20 -10.060 -1.296 5.597 1.00 0.27 H new ATOM 0 HG11 VAL B 20 -7.825 -0.516 6.318 1.00 0.87 H new ATOM 0 HG12 VAL B 20 -8.519 -1.703 7.448 1.00 0.87 H new ATOM 0 HG13 VAL B 20 -7.251 -2.201 6.303 1.00 0.87 H new ATOM 0 HG21 VAL B 20 -8.383 -0.548 3.964 1.00 0.87 H new ATOM 0 HG22 VAL B 20 -7.813 -2.225 3.796 1.00 0.87 H new ATOM 0 HG23 VAL B 20 -9.468 -1.795 3.303 1.00 0.87 H new ATOM 1953 N PHE B 21 -9.413 -4.380 3.389 1.00 0.22 N ATOM 1954 CA PHE B 21 -9.947 -4.915 2.147 1.00 0.25 C ATOM 1955 C PHE B 21 -10.804 -6.138 2.434 1.00 0.29 C ATOM 1956 O PHE B 21 -11.853 -6.310 1.847 1.00 0.35 O ATOM 1957 CB PHE B 21 -8.840 -5.269 1.155 1.00 0.26 C ATOM 1958 CG PHE B 21 -9.357 -5.776 -0.160 1.00 0.91 C ATOM 1959 CD1 PHE B 21 -9.803 -4.889 -1.125 1.00 1.85 C ATOM 1960 CD2 PHE B 21 -9.407 -7.133 -0.429 1.00 1.59 C ATOM 1961 CE1 PHE B 21 -10.287 -5.345 -2.331 1.00 2.48 C ATOM 1962 CE2 PHE B 21 -9.891 -7.595 -1.634 1.00 2.17 C ATOM 1963 CZ PHE B 21 -10.333 -6.701 -2.587 1.00 2.40 C ATOM 0 H PHE B 21 -8.397 -4.416 3.478 1.00 0.22 H new ATOM 0 HA PHE B 21 -10.561 -4.139 1.690 1.00 0.25 H new ATOM 0 HB2 PHE B 21 -8.224 -4.387 0.979 1.00 0.26 H new ATOM 0 HB3 PHE B 21 -8.193 -6.026 1.599 1.00 0.26 H new ATOM 0 HD1 PHE B 21 -9.771 -3.827 -0.930 1.00 1.85 H new ATOM 0 HD2 PHE B 21 -9.063 -7.838 0.314 1.00 1.59 H new ATOM 0 HE1 PHE B 21 -10.630 -4.642 -3.076 1.00 2.48 H new ATOM 0 HE2 PHE B 21 -9.924 -8.656 -1.832 1.00 2.17 H new ATOM 0 HZ PHE B 21 -10.714 -7.061 -3.531 1.00 2.40 H new ATOM 1973 N GLN B 22 -10.376 -6.967 3.366 1.00 0.30 N ATOM 1974 CA GLN B 22 -11.103 -8.186 3.673 1.00 0.37 C ATOM 1975 C GLN B 22 -12.434 -7.845 4.314 1.00 0.36 C ATOM 1976 O GLN B 22 -13.488 -8.272 3.856 1.00 0.44 O ATOM 1977 CB GLN B 22 -10.273 -9.073 4.606 1.00 0.47 C ATOM 1978 CG GLN B 22 -10.614 -10.558 4.560 1.00 1.11 C ATOM 1979 CD GLN B 22 -11.989 -10.901 5.119 1.00 1.98 C ATOM 1980 OE1 GLN B 22 -12.978 -10.946 4.392 1.00 2.68 O ATOM 1981 NE2 GLN B 22 -12.056 -11.149 6.417 1.00 2.65 N ATOM 0 H GLN B 22 -9.533 -6.821 3.922 1.00 0.30 H new ATOM 0 HA GLN B 22 -11.289 -8.733 2.748 1.00 0.37 H new ATOM 0 HB2 GLN B 22 -9.219 -8.950 4.356 1.00 0.47 H new ATOM 0 HB3 GLN B 22 -10.402 -8.718 5.629 1.00 0.47 H new ATOM 0 HG2 GLN B 22 -10.559 -10.900 3.527 1.00 1.11 H new ATOM 0 HG3 GLN B 22 -9.859 -11.110 5.119 1.00 1.11 H new ATOM 0 HE21 GLN B 22 -11.213 -11.102 6.989 1.00 2.65 H new ATOM 0 HE22 GLN B 22 -12.951 -11.387 6.845 1.00 2.65 H new ATOM 1990 N LYS B 23 -12.378 -7.043 5.356 1.00 0.35 N ATOM 1991 CA LYS B 23 -13.563 -6.740 6.127 1.00 0.39 C ATOM 1992 C LYS B 23 -14.575 -5.926 5.319 1.00 0.41 C ATOM 1993 O LYS B 23 -15.782 -6.106 5.470 1.00 0.49 O ATOM 1994 CB LYS B 23 -13.179 -6.025 7.432 1.00 0.41 C ATOM 1995 CG LYS B 23 -12.400 -4.741 7.236 1.00 0.42 C ATOM 1996 CD LYS B 23 -11.410 -4.530 8.375 1.00 0.63 C ATOM 1997 CE LYS B 23 -11.430 -3.107 8.893 1.00 0.64 C ATOM 1998 NZ LYS B 23 -10.394 -2.882 9.942 1.00 0.91 N ATOM 0 H LYS B 23 -11.526 -6.590 5.688 1.00 0.35 H new ATOM 0 HA LYS B 23 -14.050 -7.681 6.381 1.00 0.39 H new ATOM 0 HB2 LYS B 23 -14.088 -5.803 7.991 1.00 0.41 H new ATOM 0 HB3 LYS B 23 -12.587 -6.705 8.044 1.00 0.41 H new ATOM 0 HG2 LYS B 23 -11.867 -4.775 6.286 1.00 0.42 H new ATOM 0 HG3 LYS B 23 -13.088 -3.897 7.185 1.00 0.42 H new ATOM 0 HD2 LYS B 23 -11.645 -5.215 9.190 1.00 0.63 H new ATOM 0 HD3 LYS B 23 -10.405 -4.776 8.031 1.00 0.63 H new ATOM 0 HE2 LYS B 23 -11.264 -2.417 8.065 1.00 0.64 H new ATOM 0 HE3 LYS B 23 -12.415 -2.883 9.302 1.00 0.64 H new ATOM 0 HZ1 LYS B 23 -10.506 -1.929 10.342 1.00 0.91 H new ATOM 0 HZ2 LYS B 23 -10.504 -3.589 10.696 1.00 0.91 H new ATOM 0 HZ3 LYS B 23 -9.448 -2.971 9.520 1.00 0.91 H new ATOM 2012 N TYR B 24 -14.099 -5.028 4.465 1.00 0.36 N ATOM 2013 CA TYR B 24 -15.006 -4.183 3.699 1.00 0.39 C ATOM 2014 C TYR B 24 -15.427 -4.812 2.380 1.00 0.34 C ATOM 2015 O TYR B 24 -16.599 -4.766 2.020 1.00 0.40 O ATOM 2016 CB TYR B 24 -14.409 -2.791 3.514 1.00 0.46 C ATOM 2017 CG TYR B 24 -14.213 -2.118 4.853 1.00 0.86 C ATOM 2018 CD1 TYR B 24 -15.275 -2.002 5.740 1.00 1.52 C ATOM 2019 CD2 TYR B 24 -12.974 -1.653 5.260 1.00 1.66 C ATOM 2020 CE1 TYR B 24 -15.111 -1.431 6.983 1.00 1.83 C ATOM 2021 CE2 TYR B 24 -12.801 -1.089 6.507 1.00 1.99 C ATOM 2022 CZ TYR B 24 -13.874 -0.978 7.362 1.00 1.71 C ATOM 2023 OH TYR B 24 -13.704 -0.421 8.608 1.00 2.15 O ATOM 0 H TYR B 24 -13.108 -4.867 4.287 1.00 0.36 H new ATOM 0 HA TYR B 24 -15.925 -4.082 4.276 1.00 0.39 H new ATOM 0 HB2 TYR B 24 -13.454 -2.864 2.994 1.00 0.46 H new ATOM 0 HB3 TYR B 24 -15.067 -2.187 2.889 1.00 0.46 H new ATOM 0 HD1 TYR B 24 -16.249 -2.367 5.450 1.00 1.52 H new ATOM 0 HD2 TYR B 24 -12.130 -1.733 4.591 1.00 1.66 H new ATOM 0 HE1 TYR B 24 -15.952 -1.341 7.655 1.00 1.83 H new ATOM 0 HE2 TYR B 24 -11.827 -0.736 6.811 1.00 1.99 H new ATOM 0 HH TYR B 24 -12.769 -0.152 8.721 1.00 2.15 H new ATOM 2033 N ALA B 25 -14.488 -5.420 1.678 1.00 0.29 N ATOM 2034 CA ALA B 25 -14.788 -6.056 0.403 1.00 0.34 C ATOM 2035 C ALA B 25 -15.476 -7.394 0.620 1.00 0.47 C ATOM 2036 O ALA B 25 -16.092 -7.950 -0.289 1.00 0.58 O ATOM 2037 CB ALA B 25 -13.515 -6.235 -0.400 1.00 0.37 C ATOM 0 H ALA B 25 -13.512 -5.488 1.966 1.00 0.29 H new ATOM 0 HA ALA B 25 -15.467 -5.413 -0.157 1.00 0.34 H new ATOM 0 HB1 ALA B 25 -13.749 -6.711 -1.352 1.00 0.37 H new ATOM 0 HB2 ALA B 25 -13.061 -5.261 -0.584 1.00 0.37 H new ATOM 0 HB3 ALA B 25 -12.818 -6.861 0.157 1.00 0.37 H new ATOM 2043 N GLY B 26 -15.375 -7.900 1.844 1.00 0.50 N ATOM 2044 CA GLY B 26 -15.965 -9.182 2.176 1.00 0.64 C ATOM 2045 C GLY B 26 -17.483 -9.153 2.193 1.00 0.76 C ATOM 2046 O GLY B 26 -18.132 -10.197 2.295 1.00 0.96 O ATOM 0 H GLY B 26 -14.892 -7.441 2.616 1.00 0.50 H new ATOM 0 HA2 GLY B 26 -15.630 -9.927 1.454 1.00 0.64 H new ATOM 0 HA3 GLY B 26 -15.603 -9.500 3.154 1.00 0.64 H new ATOM 2147 N THR B 33 -13.671 -8.333 -4.021 1.00 0.66 N ATOM 2148 CA THR B 33 -13.779 -6.989 -4.575 1.00 0.45 C ATOM 2149 C THR B 33 -14.583 -6.078 -3.652 1.00 0.37 C ATOM 2150 O THR B 33 -15.615 -6.478 -3.114 1.00 0.44 O ATOM 2151 CB THR B 33 -14.437 -7.016 -5.972 1.00 0.45 C ATOM 2152 OG1 THR B 33 -14.819 -8.355 -6.316 1.00 0.66 O ATOM 2153 CG2 THR B 33 -13.500 -6.465 -7.038 1.00 0.43 C ATOM 0 HA THR B 33 -12.767 -6.595 -4.668 1.00 0.45 H new ATOM 0 HB THR B 33 -15.323 -6.383 -5.931 1.00 0.45 H new ATOM 0 HG1 THR B 33 -14.733 -8.932 -5.529 1.00 0.66 H new ATOM 0 HG21 THR B 33 -13.994 -6.498 -8.009 1.00 0.43 H new ATOM 0 HG22 THR B 33 -13.242 -5.434 -6.798 1.00 0.43 H new ATOM 0 HG23 THR B 33 -12.593 -7.068 -7.072 1.00 0.43 H new ATOM 2161 N LEU B 34 -14.079 -4.868 -3.465 1.00 0.32 N ATOM 2162 CA LEU B 34 -14.763 -3.827 -2.706 1.00 0.30 C ATOM 2163 C LEU B 34 -15.708 -3.097 -3.633 1.00 0.31 C ATOM 2164 O LEU B 34 -15.286 -2.296 -4.470 1.00 0.34 O ATOM 2165 CB LEU B 34 -13.705 -2.876 -2.135 1.00 0.29 C ATOM 2166 CG LEU B 34 -13.732 -2.682 -0.619 1.00 0.29 C ATOM 2167 CD1 LEU B 34 -12.407 -2.126 -0.126 1.00 0.45 C ATOM 2168 CD2 LEU B 34 -14.859 -1.755 -0.227 1.00 0.28 C ATOM 0 H LEU B 34 -13.176 -4.576 -3.838 1.00 0.32 H new ATOM 0 HA LEU B 34 -15.340 -4.248 -1.883 1.00 0.30 H new ATOM 0 HB2 LEU B 34 -12.720 -3.248 -2.417 1.00 0.29 H new ATOM 0 HB3 LEU B 34 -13.826 -1.902 -2.609 1.00 0.29 H new ATOM 0 HG LEU B 34 -13.896 -3.654 -0.154 1.00 0.29 H new ATOM 0 HD11 LEU B 34 -12.447 -1.995 0.955 1.00 0.45 H new ATOM 0 HD12 LEU B 34 -11.605 -2.820 -0.378 1.00 0.45 H new ATOM 0 HD13 LEU B 34 -12.217 -1.164 -0.601 1.00 0.45 H new ATOM 0 HD21 LEU B 34 -14.865 -1.627 0.855 1.00 0.28 H new ATOM 0 HD22 LEU B 34 -14.717 -0.786 -0.706 1.00 0.28 H new ATOM 0 HD23 LEU B 34 -15.809 -2.182 -0.547 1.00 0.28 H new ATOM 2180 N SER B 35 -16.986 -3.404 -3.485 1.00 0.31 N ATOM 2181 CA SER B 35 -18.012 -2.895 -4.370 1.00 0.33 C ATOM 2182 C SER B 35 -18.112 -1.385 -4.247 1.00 0.32 C ATOM 2183 O SER B 35 -17.555 -0.800 -3.323 1.00 0.30 O ATOM 2184 CB SER B 35 -19.353 -3.565 -4.064 1.00 0.37 C ATOM 2185 OG SER B 35 -20.346 -3.199 -5.011 1.00 0.40 O ATOM 0 H SER B 35 -17.338 -4.013 -2.747 1.00 0.31 H new ATOM 0 HA SER B 35 -17.743 -3.131 -5.399 1.00 0.33 H new ATOM 0 HB2 SER B 35 -19.229 -4.648 -4.066 1.00 0.37 H new ATOM 0 HB3 SER B 35 -19.682 -3.284 -3.064 1.00 0.37 H new ATOM 0 HG SER B 35 -21.190 -3.645 -4.789 1.00 0.40 H new ATOM 2191 N LYS B 36 -18.820 -0.755 -5.176 1.00 0.38 N ATOM 2192 CA LYS B 36 -18.871 0.694 -5.226 1.00 0.42 C ATOM 2193 C LYS B 36 -19.339 1.264 -3.901 1.00 0.36 C ATOM 2194 O LYS B 36 -18.594 1.976 -3.248 1.00 0.35 O ATOM 2195 CB LYS B 36 -19.768 1.189 -6.358 1.00 0.53 C ATOM 2196 CG LYS B 36 -19.723 2.698 -6.527 1.00 0.62 C ATOM 2197 CD LYS B 36 -20.581 3.163 -7.688 1.00 0.66 C ATOM 2198 CE LYS B 36 -20.490 4.669 -7.860 1.00 0.61 C ATOM 2199 NZ LYS B 36 -21.356 5.163 -8.961 1.00 0.65 N ATOM 0 H LYS B 36 -19.363 -1.225 -5.900 1.00 0.38 H new ATOM 0 HA LYS B 36 -17.858 1.045 -5.422 1.00 0.42 H new ATOM 0 HB2 LYS B 36 -19.464 0.714 -7.291 1.00 0.53 H new ATOM 0 HB3 LYS B 36 -20.795 0.880 -6.163 1.00 0.53 H new ATOM 0 HG2 LYS B 36 -20.064 3.176 -5.609 1.00 0.62 H new ATOM 0 HG3 LYS B 36 -18.692 3.015 -6.687 1.00 0.62 H new ATOM 0 HD2 LYS B 36 -20.259 2.668 -8.604 1.00 0.66 H new ATOM 0 HD3 LYS B 36 -21.618 2.874 -7.517 1.00 0.66 H new ATOM 0 HE2 LYS B 36 -20.776 5.157 -6.928 1.00 0.61 H new ATOM 0 HE3 LYS B 36 -19.456 4.948 -8.061 1.00 0.61 H new ATOM 0 HZ1 LYS B 36 -20.967 6.051 -9.337 1.00 0.65 H new ATOM 0 HZ2 LYS B 36 -21.392 4.453 -9.720 1.00 0.65 H new ATOM 0 HZ3 LYS B 36 -22.316 5.331 -8.599 1.00 0.65 H new ATOM 2213 N THR B 37 -20.546 0.911 -3.486 1.00 0.37 N ATOM 2214 CA THR B 37 -21.113 1.446 -2.257 1.00 0.38 C ATOM 2215 C THR B 37 -20.243 1.107 -1.049 1.00 0.36 C ATOM 2216 O THR B 37 -20.116 1.908 -0.118 1.00 0.38 O ATOM 2217 CB THR B 37 -22.526 0.911 -2.018 1.00 0.44 C ATOM 2218 OG1 THR B 37 -23.339 1.150 -3.176 1.00 0.47 O ATOM 2219 CG2 THR B 37 -23.138 1.586 -0.800 1.00 0.49 C ATOM 0 H THR B 37 -21.152 0.257 -3.982 1.00 0.37 H new ATOM 0 HA THR B 37 -21.154 2.529 -2.376 1.00 0.38 H new ATOM 0 HB THR B 37 -22.475 -0.163 -1.836 1.00 0.44 H new ATOM 0 HG1 THR B 37 -24.242 0.804 -3.019 1.00 0.47 H new ATOM 0 HG21 THR B 37 -24.144 1.199 -0.637 1.00 0.49 H new ATOM 0 HG22 THR B 37 -22.524 1.381 0.077 1.00 0.49 H new ATOM 0 HG23 THR B 37 -23.185 2.662 -0.966 1.00 0.49 H new ATOM 2227 N GLU B 38 -19.635 -0.071 -1.080 1.00 0.34 N ATOM 2228 CA GLU B 38 -18.704 -0.467 -0.047 1.00 0.33 C ATOM 2229 C GLU B 38 -17.555 0.528 -0.052 1.00 0.33 C ATOM 2230 O GLU B 38 -17.319 1.226 0.926 1.00 0.48 O ATOM 2231 CB GLU B 38 -18.222 -1.885 -0.307 1.00 0.34 C ATOM 2232 CG GLU B 38 -19.373 -2.870 -0.420 1.00 0.47 C ATOM 2233 CD GLU B 38 -18.935 -4.284 -0.721 1.00 1.27 C ATOM 2234 OE1 GLU B 38 -17.805 -4.470 -1.208 1.00 2.16 O ATOM 2235 OE2 GLU B 38 -19.745 -5.207 -0.498 1.00 1.96 O ATOM 0 H GLU B 38 -19.774 -0.766 -1.813 1.00 0.34 H new ATOM 0 HA GLU B 38 -19.178 -0.462 0.935 1.00 0.33 H new ATOM 0 HB2 GLU B 38 -17.637 -1.905 -1.226 1.00 0.34 H new ATOM 0 HB3 GLU B 38 -17.558 -2.195 0.500 1.00 0.34 H new ATOM 0 HG2 GLU B 38 -19.937 -2.865 0.513 1.00 0.47 H new ATOM 0 HG3 GLU B 38 -20.051 -2.534 -1.205 1.00 0.47 H new ATOM 2242 N PHE B 39 -16.923 0.673 -1.208 1.00 0.29 N ATOM 2243 CA PHE B 39 -15.801 1.578 -1.360 1.00 0.31 C ATOM 2244 C PHE B 39 -16.207 2.983 -0.965 1.00 0.28 C ATOM 2245 O PHE B 39 -15.430 3.707 -0.377 1.00 0.27 O ATOM 2246 CB PHE B 39 -15.298 1.569 -2.805 1.00 0.53 C ATOM 2247 CG PHE B 39 -14.176 2.530 -3.055 1.00 0.81 C ATOM 2248 CD1 PHE B 39 -12.969 2.390 -2.395 1.00 1.76 C ATOM 2249 CD2 PHE B 39 -14.331 3.576 -3.949 1.00 1.78 C ATOM 2250 CE1 PHE B 39 -11.938 3.273 -2.622 1.00 2.61 C ATOM 2251 CE2 PHE B 39 -13.303 4.463 -4.181 1.00 2.66 C ATOM 2252 CZ PHE B 39 -12.103 4.313 -3.517 1.00 2.87 C ATOM 0 H PHE B 39 -17.174 0.169 -2.059 1.00 0.29 H new ATOM 0 HA PHE B 39 -14.996 1.242 -0.707 1.00 0.31 H new ATOM 0 HB2 PHE B 39 -14.967 0.562 -3.059 1.00 0.53 H new ATOM 0 HB3 PHE B 39 -16.127 1.810 -3.471 1.00 0.53 H new ATOM 0 HD1 PHE B 39 -12.834 1.579 -1.694 1.00 1.76 H new ATOM 0 HD2 PHE B 39 -15.269 3.698 -4.470 1.00 1.78 H new ATOM 0 HE1 PHE B 39 -11.000 3.153 -2.101 1.00 2.61 H new ATOM 0 HE2 PHE B 39 -13.436 5.274 -4.881 1.00 2.66 H new ATOM 0 HZ PHE B 39 -11.295 5.007 -3.696 1.00 2.87 H new ATOM 2262 N LEU B 40 -17.436 3.341 -1.278 1.00 0.33 N ATOM 2263 CA LEU B 40 -17.963 4.652 -0.951 1.00 0.37 C ATOM 2264 C LEU B 40 -17.943 4.888 0.554 1.00 0.40 C ATOM 2265 O LEU B 40 -17.323 5.831 1.039 1.00 0.43 O ATOM 2266 CB LEU B 40 -19.392 4.793 -1.474 1.00 0.43 C ATOM 2267 CG LEU B 40 -19.573 4.606 -2.986 1.00 0.50 C ATOM 2268 CD1 LEU B 40 -20.799 5.354 -3.482 1.00 1.07 C ATOM 2269 CD2 LEU B 40 -18.325 5.023 -3.749 1.00 0.46 C ATOM 0 H LEU B 40 -18.096 2.734 -1.764 1.00 0.33 H new ATOM 0 HA LEU B 40 -17.328 5.398 -1.428 1.00 0.37 H new ATOM 0 HB2 LEU B 40 -20.020 4.066 -0.960 1.00 0.43 H new ATOM 0 HB3 LEU B 40 -19.762 5.782 -1.203 1.00 0.43 H new ATOM 0 HG LEU B 40 -19.730 3.544 -3.174 1.00 0.50 H new ATOM 0 HD11 LEU B 40 -20.906 5.206 -4.557 1.00 1.07 H new ATOM 0 HD12 LEU B 40 -21.686 4.976 -2.974 1.00 1.07 H new ATOM 0 HD13 LEU B 40 -20.686 6.418 -3.272 1.00 1.07 H new ATOM 0 HD21 LEU B 40 -18.486 4.878 -4.817 1.00 0.46 H new ATOM 0 HD22 LEU B 40 -18.113 6.074 -3.553 1.00 0.46 H new ATOM 0 HD23 LEU B 40 -17.480 4.416 -3.424 1.00 0.46 H new ATOM 2281 N SER B 41 -18.604 4.015 1.296 1.00 0.42 N ATOM 2282 CA SER B 41 -18.725 4.186 2.735 1.00 0.52 C ATOM 2283 C SER B 41 -17.376 3.977 3.423 1.00 0.45 C ATOM 2284 O SER B 41 -17.047 4.667 4.379 1.00 0.47 O ATOM 2285 CB SER B 41 -19.767 3.215 3.298 1.00 0.67 C ATOM 2286 OG SER B 41 -19.992 3.444 4.681 1.00 1.40 O ATOM 0 H SER B 41 -19.064 3.183 0.927 1.00 0.42 H new ATOM 0 HA SER B 41 -19.053 5.207 2.932 1.00 0.52 H new ATOM 0 HB2 SER B 41 -20.704 3.327 2.752 1.00 0.67 H new ATOM 0 HB3 SER B 41 -19.430 2.189 3.147 1.00 0.67 H new ATOM 0 HG SER B 41 -20.663 2.811 5.013 1.00 1.40 H new ATOM 2292 N PHE B 42 -16.599 3.038 2.906 1.00 0.42 N ATOM 2293 CA PHE B 42 -15.325 2.650 3.507 1.00 0.46 C ATOM 2294 C PHE B 42 -14.227 3.615 3.101 1.00 0.29 C ATOM 2295 O PHE B 42 -13.194 3.708 3.748 1.00 0.42 O ATOM 2296 CB PHE B 42 -15.069 1.198 3.145 1.00 0.80 C ATOM 2297 CG PHE B 42 -16.258 0.381 3.588 1.00 1.89 C ATOM 2298 CD1 PHE B 42 -16.916 0.702 4.774 1.00 2.77 C ATOM 2299 CD2 PHE B 42 -16.759 -0.649 2.819 1.00 2.69 C ATOM 2300 CE1 PHE B 42 -18.040 0.016 5.169 1.00 3.80 C ATOM 2301 CE2 PHE B 42 -17.881 -1.344 3.217 1.00 3.73 C ATOM 2302 CZ PHE B 42 -18.522 -1.007 4.390 1.00 4.13 C ATOM 0 H PHE B 42 -16.831 2.521 2.058 1.00 0.42 H new ATOM 0 HA PHE B 42 -15.349 2.715 4.595 1.00 0.46 H new ATOM 0 HB2 PHE B 42 -14.918 1.096 2.070 1.00 0.80 H new ATOM 0 HB3 PHE B 42 -14.161 0.840 3.630 1.00 0.80 H new ATOM 0 HD1 PHE B 42 -16.537 1.502 5.392 1.00 2.77 H new ATOM 0 HD2 PHE B 42 -16.267 -0.914 1.895 1.00 2.69 H new ATOM 0 HE1 PHE B 42 -18.542 0.281 6.088 1.00 3.80 H new ATOM 0 HE2 PHE B 42 -18.258 -2.153 2.609 1.00 3.73 H new ATOM 0 HZ PHE B 42 -19.405 -1.548 4.697 1.00 4.13 H new ATOM 2312 N MET B 43 -14.464 4.336 2.021 1.00 0.26 N ATOM 2313 CA MET B 43 -13.679 5.521 1.709 1.00 0.29 C ATOM 2314 C MET B 43 -13.987 6.623 2.712 1.00 0.29 C ATOM 2315 O MET B 43 -13.090 7.261 3.230 1.00 0.37 O ATOM 2316 CB MET B 43 -14.005 6.028 0.316 1.00 0.38 C ATOM 2317 CG MET B 43 -12.846 5.970 -0.664 1.00 0.62 C ATOM 2318 SD MET B 43 -11.589 7.220 -0.338 1.00 1.22 S ATOM 2319 CE MET B 43 -10.538 7.031 -1.774 1.00 2.25 C ATOM 0 H MET B 43 -15.195 4.123 1.342 1.00 0.26 H new ATOM 0 HA MET B 43 -12.624 5.252 1.758 1.00 0.29 H new ATOM 0 HB2 MET B 43 -14.833 5.443 -0.085 1.00 0.38 H new ATOM 0 HB3 MET B 43 -14.350 7.059 0.390 1.00 0.38 H new ATOM 0 HG2 MET B 43 -12.388 4.982 -0.620 1.00 0.62 H new ATOM 0 HG3 MET B 43 -13.226 6.100 -1.677 1.00 0.62 H new ATOM 0 HE1 MET B 43 -9.842 7.868 -1.828 1.00 2.25 H new ATOM 0 HE2 MET B 43 -9.979 6.099 -1.695 1.00 2.25 H new ATOM 0 HE3 MET B 43 -11.152 7.011 -2.674 1.00 2.25 H new ATOM 2329 N ASN B 44 -15.266 6.841 2.993 1.00 0.29 N ATOM 2330 CA ASN B 44 -15.662 7.893 3.930 1.00 0.33 C ATOM 2331 C ASN B 44 -15.265 7.559 5.361 1.00 0.32 C ATOM 2332 O ASN B 44 -15.238 8.440 6.215 1.00 0.39 O ATOM 2333 CB ASN B 44 -17.165 8.143 3.913 1.00 0.42 C ATOM 2334 CG ASN B 44 -17.642 8.985 2.746 1.00 1.05 C ATOM 2335 OD1 ASN B 44 -17.657 10.215 2.816 1.00 1.53 O ATOM 2336 ND2 ASN B 44 -18.060 8.336 1.676 1.00 1.83 N ATOM 0 H ASN B 44 -16.041 6.312 2.593 1.00 0.29 H new ATOM 0 HA ASN B 44 -15.136 8.788 3.596 1.00 0.33 H new ATOM 0 HB2 ASN B 44 -17.681 7.183 3.889 1.00 0.42 H new ATOM 0 HB3 ASN B 44 -17.451 8.635 4.843 1.00 0.42 H new ATOM 0 HD21 ASN B 44 -18.411 8.854 0.870 1.00 1.83 H new ATOM 0 HD22 ASN B 44 -18.032 7.317 1.655 1.00 1.83 H new ATOM 2343 N THR B 45 -15.002 6.290 5.635 1.00 0.27 N ATOM 2344 CA THR B 45 -14.630 5.876 6.978 1.00 0.29 C ATOM 2345 C THR B 45 -13.133 5.626 7.083 1.00 0.28 C ATOM 2346 O THR B 45 -12.446 6.253 7.889 1.00 0.34 O ATOM 2347 CB THR B 45 -15.391 4.610 7.416 1.00 0.30 C ATOM 2348 OG1 THR B 45 -15.171 3.544 6.481 1.00 0.34 O ATOM 2349 CG2 THR B 45 -16.880 4.888 7.529 1.00 0.34 C ATOM 0 H THR B 45 -15.039 5.535 4.951 1.00 0.27 H new ATOM 0 HA THR B 45 -14.903 6.695 7.644 1.00 0.29 H new ATOM 0 HB THR B 45 -15.013 4.313 8.394 1.00 0.30 H new ATOM 0 HG1 THR B 45 -15.660 2.746 6.773 1.00 0.34 H new ATOM 0 HG21 THR B 45 -17.397 3.980 7.839 1.00 0.34 H new ATOM 0 HG22 THR B 45 -17.049 5.672 8.267 1.00 0.34 H new ATOM 0 HG23 THR B 45 -17.264 5.212 6.562 1.00 0.34 H new ATOM 2357 N GLU B 46 -12.631 4.726 6.247 1.00 0.23 N ATOM 2358 CA GLU B 46 -11.235 4.334 6.293 1.00 0.25 C ATOM 2359 C GLU B 46 -10.354 5.294 5.513 1.00 0.25 C ATOM 2360 O GLU B 46 -9.141 5.257 5.629 1.00 0.34 O ATOM 2361 CB GLU B 46 -11.045 2.915 5.765 1.00 0.29 C ATOM 2362 CG GLU B 46 -11.430 1.838 6.758 1.00 0.57 C ATOM 2363 CD GLU B 46 -10.745 2.005 8.103 1.00 1.17 C ATOM 2364 OE1 GLU B 46 -9.608 1.514 8.268 1.00 1.70 O ATOM 2365 OE2 GLU B 46 -11.348 2.617 9.007 1.00 1.68 O ATOM 0 H GLU B 46 -13.177 4.253 5.526 1.00 0.23 H new ATOM 0 HA GLU B 46 -10.932 4.366 7.340 1.00 0.25 H new ATOM 0 HB2 GLU B 46 -11.640 2.791 4.860 1.00 0.29 H new ATOM 0 HB3 GLU B 46 -10.001 2.779 5.482 1.00 0.29 H new ATOM 0 HG2 GLU B 46 -12.510 1.852 6.902 1.00 0.57 H new ATOM 0 HG3 GLU B 46 -11.176 0.862 6.345 1.00 0.57 H new ATOM 2372 N LEU B 47 -10.943 6.132 4.694 1.00 0.25 N ATOM 2373 CA LEU B 47 -10.156 7.148 4.011 1.00 0.26 C ATOM 2374 C LEU B 47 -10.789 8.511 4.151 1.00 0.28 C ATOM 2375 O LEU B 47 -10.734 9.340 3.244 1.00 0.30 O ATOM 2376 CB LEU B 47 -9.974 6.779 2.551 1.00 0.26 C ATOM 2377 CG LEU B 47 -9.157 5.512 2.328 1.00 0.27 C ATOM 2378 CD1 LEU B 47 -9.200 5.099 0.872 1.00 0.32 C ATOM 2379 CD2 LEU B 47 -7.725 5.732 2.793 1.00 0.28 C ATOM 0 H LEU B 47 -11.941 6.138 4.483 1.00 0.25 H new ATOM 0 HA LEU B 47 -9.173 7.193 4.480 1.00 0.26 H new ATOM 0 HB2 LEU B 47 -10.955 6.651 2.094 1.00 0.26 H new ATOM 0 HB3 LEU B 47 -9.488 7.607 2.036 1.00 0.26 H new ATOM 0 HG LEU B 47 -9.591 4.702 2.915 1.00 0.27 H new ATOM 0 HD11 LEU B 47 -8.611 4.193 0.733 1.00 0.32 H new ATOM 0 HD12 LEU B 47 -10.232 4.909 0.578 1.00 0.32 H new ATOM 0 HD13 LEU B 47 -8.788 5.897 0.255 1.00 0.32 H new ATOM 0 HD21 LEU B 47 -7.146 4.823 2.631 1.00 0.28 H new ATOM 0 HD22 LEU B 47 -7.280 6.551 2.227 1.00 0.28 H new ATOM 0 HD23 LEU B 47 -7.721 5.980 3.854 1.00 0.28 H new ATOM 2391 N ALA B 48 -11.403 8.728 5.299 1.00 0.32 N ATOM 2392 CA ALA B 48 -12.040 9.988 5.600 1.00 0.37 C ATOM 2393 C ALA B 48 -11.035 11.135 5.607 1.00 0.39 C ATOM 2394 O ALA B 48 -11.405 12.285 5.376 1.00 0.44 O ATOM 2395 CB ALA B 48 -12.766 9.883 6.923 1.00 0.41 C ATOM 0 H ALA B 48 -11.472 8.035 6.045 1.00 0.32 H new ATOM 0 HA ALA B 48 -12.765 10.210 4.817 1.00 0.37 H new ATOM 0 HB1 ALA B 48 -13.247 10.834 7.151 1.00 0.41 H new ATOM 0 HB2 ALA B 48 -13.522 9.100 6.862 1.00 0.41 H new ATOM 0 HB3 ALA B 48 -12.053 9.639 7.711 1.00 0.41 H new ATOM 2401 N ALA B 49 -9.766 10.820 5.851 1.00 0.38 N ATOM 2402 CA ALA B 49 -8.703 11.815 5.763 1.00 0.41 C ATOM 2403 C ALA B 49 -8.681 12.440 4.377 1.00 0.41 C ATOM 2404 O ALA B 49 -8.514 13.650 4.224 1.00 0.47 O ATOM 2405 CB ALA B 49 -7.357 11.178 6.065 1.00 0.44 C ATOM 0 H ALA B 49 -9.450 9.886 6.111 1.00 0.38 H new ATOM 0 HA ALA B 49 -8.897 12.595 6.500 1.00 0.41 H new ATOM 0 HB1 ALA B 49 -6.574 11.933 5.995 1.00 0.44 H new ATOM 0 HB2 ALA B 49 -7.370 10.760 7.072 1.00 0.44 H new ATOM 0 HB3 ALA B 49 -7.161 10.384 5.345 1.00 0.44 H new ATOM 2411 N PHE B 50 -8.868 11.593 3.380 1.00 0.36 N ATOM 2412 CA PHE B 50 -8.890 12.010 1.990 1.00 0.37 C ATOM 2413 C PHE B 50 -10.284 12.483 1.598 1.00 0.38 C ATOM 2414 O PHE B 50 -10.476 13.609 1.138 1.00 0.44 O ATOM 2415 CB PHE B 50 -8.484 10.830 1.109 1.00 0.35 C ATOM 2416 CG PHE B 50 -8.415 11.152 -0.359 1.00 0.70 C ATOM 2417 CD1 PHE B 50 -7.329 11.839 -0.881 1.00 1.63 C ATOM 2418 CD2 PHE B 50 -9.434 10.769 -1.216 1.00 1.33 C ATOM 2419 CE1 PHE B 50 -7.263 12.135 -2.231 1.00 2.10 C ATOM 2420 CE2 PHE B 50 -9.373 11.062 -2.565 1.00 1.67 C ATOM 2421 CZ PHE B 50 -8.286 11.746 -3.073 1.00 1.80 C ATOM 0 H PHE B 50 -9.010 10.592 3.513 1.00 0.36 H new ATOM 0 HA PHE B 50 -8.191 12.836 1.854 1.00 0.37 H new ATOM 0 HB2 PHE B 50 -7.510 10.465 1.436 1.00 0.35 H new ATOM 0 HB3 PHE B 50 -9.195 10.018 1.258 1.00 0.35 H new ATOM 0 HD1 PHE B 50 -6.526 12.146 -0.227 1.00 1.63 H new ATOM 0 HD2 PHE B 50 -10.287 10.235 -0.825 1.00 1.33 H new ATOM 0 HE1 PHE B 50 -6.412 12.670 -2.626 1.00 2.10 H new ATOM 0 HE2 PHE B 50 -10.174 10.756 -3.221 1.00 1.67 H new ATOM 0 HZ PHE B 50 -8.236 11.976 -4.127 1.00 1.80 H new ATOM 2431 N THR B 51 -11.250 11.604 1.819 1.00 0.36 N ATOM 2432 CA THR B 51 -12.620 11.808 1.385 1.00 0.40 C ATOM 2433 C THR B 51 -13.228 13.087 1.948 1.00 0.45 C ATOM 2434 O THR B 51 -13.756 13.915 1.204 1.00 0.53 O ATOM 2435 CB THR B 51 -13.485 10.616 1.816 1.00 0.39 C ATOM 2436 OG1 THR B 51 -12.997 9.419 1.210 1.00 0.39 O ATOM 2437 CG2 THR B 51 -14.937 10.830 1.435 1.00 0.49 C ATOM 0 H THR B 51 -11.102 10.722 2.309 1.00 0.36 H new ATOM 0 HA THR B 51 -12.598 11.897 0.299 1.00 0.40 H new ATOM 0 HB THR B 51 -13.426 10.526 2.901 1.00 0.39 H new ATOM 0 HG1 THR B 51 -12.195 9.116 1.685 1.00 0.39 H new ATOM 0 HG21 THR B 51 -15.527 9.970 1.752 1.00 0.49 H new ATOM 0 HG22 THR B 51 -15.313 11.729 1.924 1.00 0.49 H new ATOM 0 HG23 THR B 51 -15.016 10.945 0.354 1.00 0.49 H new ATOM 2445 N LYS B 52 -13.135 13.258 3.255 1.00 0.47 N ATOM 2446 CA LYS B 52 -13.817 14.358 3.918 1.00 0.60 C ATOM 2447 C LYS B 52 -13.114 15.674 3.637 1.00 0.69 C ATOM 2448 O LYS B 52 -13.691 16.746 3.807 1.00 0.84 O ATOM 2449 CB LYS B 52 -13.896 14.108 5.420 1.00 0.70 C ATOM 2450 CG LYS B 52 -14.547 12.781 5.767 1.00 0.78 C ATOM 2451 CD LYS B 52 -15.999 12.729 5.325 1.00 1.07 C ATOM 2452 CE LYS B 52 -16.606 11.360 5.580 1.00 1.24 C ATOM 2453 NZ LYS B 52 -16.622 11.011 7.023 1.00 1.82 N ATOM 0 H LYS B 52 -12.597 12.654 3.876 1.00 0.47 H new ATOM 0 HA LYS B 52 -14.831 14.420 3.522 1.00 0.60 H new ATOM 0 HB2 LYS B 52 -12.891 14.134 5.840 1.00 0.70 H new ATOM 0 HB3 LYS B 52 -14.458 14.916 5.888 1.00 0.70 H new ATOM 0 HG2 LYS B 52 -13.994 11.970 5.292 1.00 0.78 H new ATOM 0 HG3 LYS B 52 -14.489 12.619 6.843 1.00 0.78 H new ATOM 0 HD2 LYS B 52 -16.571 13.488 5.859 1.00 1.07 H new ATOM 0 HD3 LYS B 52 -16.067 12.967 4.263 1.00 1.07 H new ATOM 0 HE2 LYS B 52 -17.624 11.338 5.192 1.00 1.24 H new ATOM 0 HE3 LYS B 52 -16.040 10.606 5.032 1.00 1.24 H new ATOM 0 HZ1 LYS B 52 -15.961 10.227 7.198 1.00 1.82 H new ATOM 0 HZ2 LYS B 52 -16.334 11.838 7.583 1.00 1.82 H new ATOM 0 HZ3 LYS B 52 -17.582 10.722 7.300 1.00 1.82 H new ATOM 2546 N GLY B 58 -18.521 12.758 -5.158 1.00 0.67 N ATOM 2547 CA GLY B 58 -18.222 12.344 -6.512 1.00 0.56 C ATOM 2548 C GLY B 58 -16.782 11.921 -6.686 1.00 0.49 C ATOM 2549 O GLY B 58 -16.442 11.254 -7.659 1.00 0.48 O ATOM 0 HA2 GLY B 58 -18.876 11.516 -6.788 1.00 0.56 H new ATOM 0 HA3 GLY B 58 -18.441 13.164 -7.195 1.00 0.56 H new ATOM 2553 N VAL B 59 -15.929 12.302 -5.745 1.00 0.52 N ATOM 2554 CA VAL B 59 -14.523 11.949 -5.826 1.00 0.52 C ATOM 2555 C VAL B 59 -14.328 10.455 -5.709 1.00 0.49 C ATOM 2556 O VAL B 59 -13.563 9.874 -6.466 1.00 0.49 O ATOM 2557 CB VAL B 59 -13.675 12.654 -4.748 1.00 0.61 C ATOM 2558 CG1 VAL B 59 -14.171 12.317 -3.348 1.00 0.65 C ATOM 2559 CG2 VAL B 59 -12.210 12.270 -4.894 1.00 0.66 C ATOM 0 H VAL B 59 -16.185 12.851 -4.924 1.00 0.52 H new ATOM 0 HA VAL B 59 -14.183 12.288 -6.804 1.00 0.52 H new ATOM 0 HB VAL B 59 -13.776 13.730 -4.892 1.00 0.61 H new ATOM 0 HG11 VAL B 59 -13.553 12.829 -2.610 1.00 0.65 H new ATOM 0 HG12 VAL B 59 -15.206 12.640 -3.241 1.00 0.65 H new ATOM 0 HG13 VAL B 59 -14.109 11.240 -3.189 1.00 0.65 H new ATOM 0 HG21 VAL B 59 -11.623 12.775 -4.127 1.00 0.66 H new ATOM 0 HG22 VAL B 59 -12.104 11.191 -4.781 1.00 0.66 H new ATOM 0 HG23 VAL B 59 -11.852 12.568 -5.879 1.00 0.66 H new ATOM 2569 N LEU B 60 -15.038 9.830 -4.784 1.00 0.48 N ATOM 2570 CA LEU B 60 -14.905 8.399 -4.576 1.00 0.46 C ATOM 2571 C LEU B 60 -15.367 7.681 -5.822 1.00 0.43 C ATOM 2572 O LEU B 60 -14.942 6.567 -6.118 1.00 0.41 O ATOM 2573 CB LEU B 60 -15.731 7.932 -3.383 1.00 0.48 C ATOM 2574 CG LEU B 60 -15.652 8.831 -2.150 1.00 0.52 C ATOM 2575 CD1 LEU B 60 -16.464 8.242 -1.010 1.00 0.51 C ATOM 2576 CD2 LEU B 60 -14.207 9.037 -1.734 1.00 0.52 C ATOM 0 H LEU B 60 -15.709 10.289 -4.168 1.00 0.48 H new ATOM 0 HA LEU B 60 -13.859 8.172 -4.369 1.00 0.46 H new ATOM 0 HB2 LEU B 60 -16.774 7.854 -3.691 1.00 0.48 H new ATOM 0 HB3 LEU B 60 -15.405 6.930 -3.105 1.00 0.48 H new ATOM 0 HG LEU B 60 -16.075 9.803 -2.402 1.00 0.52 H new ATOM 0 HD11 LEU B 60 -16.397 8.895 -0.140 1.00 0.51 H new ATOM 0 HD12 LEU B 60 -17.506 8.150 -1.315 1.00 0.51 H new ATOM 0 HD13 LEU B 60 -16.073 7.257 -0.756 1.00 0.51 H new ATOM 0 HD21 LEU B 60 -14.170 9.680 -0.854 1.00 0.52 H new ATOM 0 HD22 LEU B 60 -13.755 8.073 -1.499 1.00 0.52 H new ATOM 0 HD23 LEU B 60 -13.657 9.506 -2.550 1.00 0.52 H new ATOM 2588 N ASP B 61 -16.233 8.357 -6.554 1.00 0.46 N ATOM 2589 CA ASP B 61 -16.723 7.850 -7.820 1.00 0.46 C ATOM 2590 C ASP B 61 -15.599 7.889 -8.834 1.00 0.47 C ATOM 2591 O ASP B 61 -15.341 6.914 -9.536 1.00 0.51 O ATOM 2592 CB ASP B 61 -17.906 8.683 -8.315 1.00 0.47 C ATOM 2593 CG ASP B 61 -18.627 8.035 -9.486 1.00 0.48 C ATOM 2594 OD1 ASP B 61 -18.171 8.194 -10.639 1.00 1.22 O ATOM 2595 OD2 ASP B 61 -19.662 7.368 -9.263 1.00 1.19 O ATOM 0 H ASP B 61 -16.613 9.266 -6.290 1.00 0.46 H new ATOM 0 HA ASP B 61 -17.065 6.824 -7.687 1.00 0.46 H new ATOM 0 HB2 ASP B 61 -18.610 8.830 -7.496 1.00 0.47 H new ATOM 0 HB3 ASP B 61 -17.552 9.670 -8.612 1.00 0.47 H new ATOM 2600 N ARG B 62 -14.913 9.023 -8.865 1.00 0.47 N ATOM 2601 CA ARG B 62 -13.776 9.225 -9.750 1.00 0.51 C ATOM 2602 C ARG B 62 -12.678 8.218 -9.441 1.00 0.50 C ATOM 2603 O ARG B 62 -12.086 7.633 -10.351 1.00 0.56 O ATOM 2604 CB ARG B 62 -13.229 10.639 -9.588 1.00 0.55 C ATOM 2605 CG ARG B 62 -14.278 11.721 -9.759 1.00 0.55 C ATOM 2606 CD ARG B 62 -13.695 13.097 -9.516 1.00 0.62 C ATOM 2607 NE ARG B 62 -12.557 13.375 -10.394 1.00 1.45 N ATOM 2608 CZ ARG B 62 -11.698 14.380 -10.215 1.00 1.97 C ATOM 2609 NH1 ARG B 62 -11.841 15.212 -9.189 1.00 1.66 N ATOM 2610 NH2 ARG B 62 -10.695 14.547 -11.067 1.00 3.02 N ATOM 0 H ARG B 62 -15.129 9.828 -8.277 1.00 0.47 H new ATOM 0 HA ARG B 62 -14.111 9.083 -10.778 1.00 0.51 H new ATOM 0 HB2 ARG B 62 -12.779 10.734 -8.600 1.00 0.55 H new ATOM 0 HB3 ARG B 62 -12.434 10.797 -10.317 1.00 0.55 H new ATOM 0 HG2 ARG B 62 -14.693 11.672 -10.766 1.00 0.55 H new ATOM 0 HG3 ARG B 62 -15.101 11.545 -9.066 1.00 0.55 H new ATOM 0 HD2 ARG B 62 -14.467 13.850 -9.674 1.00 0.62 H new ATOM 0 HD3 ARG B 62 -13.378 13.178 -8.476 1.00 0.62 H new ATOM 0 HE ARG B 62 -12.411 12.760 -11.195 1.00 1.45 H new ATOM 0 HH11 ARG B 62 -12.611 15.084 -8.532 1.00 1.66 H new ATOM 0 HH12 ARG B 62 -11.181 15.978 -9.058 1.00 1.66 H new ATOM 0 HH21 ARG B 62 -10.583 13.909 -11.855 1.00 3.02 H new ATOM 0 HH22 ARG B 62 -10.036 15.314 -10.935 1.00 3.02 H new ATOM 2624 N MET B 63 -12.413 8.025 -8.149 1.00 0.45 N ATOM 2625 CA MET B 63 -11.431 7.046 -7.707 1.00 0.44 C ATOM 2626 C MET B 63 -11.848 5.680 -8.198 1.00 0.41 C ATOM 2627 O MET B 63 -11.096 5.011 -8.900 1.00 0.42 O ATOM 2628 CB MET B 63 -11.309 6.999 -6.180 1.00 0.43 C ATOM 2629 CG MET B 63 -11.293 8.361 -5.506 1.00 0.49 C ATOM 2630 SD MET B 63 -9.883 9.379 -5.987 1.00 0.63 S ATOM 2631 CE MET B 63 -8.525 8.443 -5.290 1.00 1.54 C ATOM 0 H MET B 63 -12.867 8.536 -7.392 1.00 0.45 H new ATOM 0 HA MET B 63 -10.463 7.338 -8.115 1.00 0.44 H new ATOM 0 HB2 MET B 63 -12.141 6.419 -5.780 1.00 0.43 H new ATOM 0 HB3 MET B 63 -10.394 6.467 -5.918 1.00 0.43 H new ATOM 0 HG2 MET B 63 -12.214 8.890 -5.750 1.00 0.49 H new ATOM 0 HG3 MET B 63 -11.281 8.223 -4.425 1.00 0.49 H new ATOM 0 HE1 MET B 63 -7.634 9.069 -5.251 1.00 1.54 H new ATOM 0 HE2 MET B 63 -8.785 8.120 -4.282 1.00 1.54 H new ATOM 0 HE3 MET B 63 -8.328 7.570 -5.912 1.00 1.54 H new ATOM 2641 N MET B 64 -13.071 5.290 -7.835 1.00 0.41 N ATOM 2642 CA MET B 64 -13.630 4.009 -8.240 1.00 0.42 C ATOM 2643 C MET B 64 -13.426 3.770 -9.725 1.00 0.44 C ATOM 2644 O MET B 64 -12.832 2.788 -10.099 1.00 0.41 O ATOM 2645 CB MET B 64 -15.123 3.933 -7.904 1.00 0.55 C ATOM 2646 CG MET B 64 -15.842 2.747 -8.538 1.00 0.65 C ATOM 2647 SD MET B 64 -15.156 1.152 -8.062 1.00 1.87 S ATOM 2648 CE MET B 64 -15.345 1.211 -6.287 1.00 2.41 C ATOM 0 H MET B 64 -13.695 5.852 -7.256 1.00 0.41 H new ATOM 0 HA MET B 64 -13.104 3.232 -7.685 1.00 0.42 H new ATOM 0 HB2 MET B 64 -15.239 3.879 -6.822 1.00 0.55 H new ATOM 0 HB3 MET B 64 -15.606 4.854 -8.230 1.00 0.55 H new ATOM 0 HG2 MET B 64 -16.895 2.779 -8.258 1.00 0.65 H new ATOM 0 HG3 MET B 64 -15.798 2.843 -9.623 1.00 0.65 H new ATOM 0 HE1 MET B 64 -15.677 0.238 -5.924 1.00 2.41 H new ATOM 0 HE2 MET B 64 -14.389 1.463 -5.827 1.00 2.41 H new ATOM 0 HE3 MET B 64 -16.084 1.968 -6.025 1.00 2.41 H new ATOM 2658 N LYS B 65 -13.868 4.695 -10.560 1.00 0.52 N ATOM 2659 CA LYS B 65 -13.822 4.487 -12.007 1.00 0.56 C ATOM 2660 C LYS B 65 -12.385 4.366 -12.514 1.00 0.54 C ATOM 2661 O LYS B 65 -12.116 3.648 -13.477 1.00 0.60 O ATOM 2662 CB LYS B 65 -14.544 5.620 -12.739 1.00 0.67 C ATOM 2663 CG LYS B 65 -15.962 5.852 -12.247 1.00 0.79 C ATOM 2664 CD LYS B 65 -16.810 4.595 -12.355 1.00 0.86 C ATOM 2665 CE LYS B 65 -18.166 4.779 -11.690 1.00 1.57 C ATOM 2666 NZ LYS B 65 -18.866 6.001 -12.170 1.00 2.49 N ATOM 0 H LYS B 65 -14.260 5.591 -10.270 1.00 0.52 H new ATOM 0 HA LYS B 65 -14.333 3.547 -12.217 1.00 0.56 H new ATOM 0 HB2 LYS B 65 -13.972 6.540 -12.622 1.00 0.67 H new ATOM 0 HB3 LYS B 65 -14.570 5.395 -13.805 1.00 0.67 H new ATOM 0 HG2 LYS B 65 -15.937 6.185 -11.210 1.00 0.79 H new ATOM 0 HG3 LYS B 65 -16.422 6.652 -12.828 1.00 0.79 H new ATOM 0 HD2 LYS B 65 -16.950 4.338 -13.405 1.00 0.86 H new ATOM 0 HD3 LYS B 65 -16.286 3.760 -11.890 1.00 0.86 H new ATOM 0 HE2 LYS B 65 -18.787 3.905 -11.887 1.00 1.57 H new ATOM 0 HE3 LYS B 65 -18.034 4.839 -10.610 1.00 1.57 H new ATOM 0 HZ1 LYS B 65 -19.860 5.973 -11.866 1.00 2.49 H new ATOM 0 HZ2 LYS B 65 -18.405 6.844 -11.772 1.00 2.49 H new ATOM 0 HZ3 LYS B 65 -18.822 6.041 -13.208 1.00 2.49 H new ATOM 2680 N LYS B 66 -11.468 5.064 -11.857 1.00 0.50 N ATOM 2681 CA LYS B 66 -10.054 5.009 -12.212 1.00 0.52 C ATOM 2682 C LYS B 66 -9.451 3.664 -11.825 1.00 0.48 C ATOM 2683 O LYS B 66 -8.647 3.085 -12.555 1.00 0.54 O ATOM 2684 CB LYS B 66 -9.295 6.121 -11.491 1.00 0.55 C ATOM 2685 CG LYS B 66 -7.799 6.114 -11.763 1.00 0.91 C ATOM 2686 CD LYS B 66 -7.084 7.231 -11.016 1.00 0.96 C ATOM 2687 CE LYS B 66 -7.193 7.068 -9.505 1.00 0.73 C ATOM 2688 NZ LYS B 66 -6.549 8.195 -8.782 1.00 1.47 N ATOM 0 H LYS B 66 -11.679 5.679 -11.071 1.00 0.50 H new ATOM 0 HA LYS B 66 -9.969 5.139 -13.291 1.00 0.52 H new ATOM 0 HB2 LYS B 66 -9.706 7.084 -11.793 1.00 0.55 H new ATOM 0 HB3 LYS B 66 -9.461 6.026 -10.418 1.00 0.55 H new ATOM 0 HG2 LYS B 66 -7.380 5.152 -11.467 1.00 0.91 H new ATOM 0 HG3 LYS B 66 -7.624 6.222 -12.833 1.00 0.91 H new ATOM 0 HD2 LYS B 66 -6.033 7.245 -11.304 1.00 0.96 H new ATOM 0 HD3 LYS B 66 -7.508 8.192 -11.309 1.00 0.96 H new ATOM 0 HE2 LYS B 66 -8.243 7.006 -9.221 1.00 0.73 H new ATOM 0 HE3 LYS B 66 -6.726 6.130 -9.206 1.00 0.73 H new ATOM 0 HZ1 LYS B 66 -6.643 8.049 -7.757 1.00 1.47 H new ATOM 0 HZ2 LYS B 66 -5.541 8.238 -9.034 1.00 1.47 H new ATOM 0 HZ3 LYS B 66 -7.011 9.088 -9.048 1.00 1.47 H new ATOM 2702 N LEU B 67 -9.848 3.182 -10.667 1.00 0.41 N ATOM 2703 CA LEU B 67 -9.284 1.973 -10.095 1.00 0.39 C ATOM 2704 C LEU B 67 -10.008 0.743 -10.601 1.00 0.40 C ATOM 2705 O LEU B 67 -9.396 -0.312 -10.758 1.00 0.46 O ATOM 2706 CB LEU B 67 -9.410 2.039 -8.595 1.00 0.34 C ATOM 2707 CG LEU B 67 -8.945 3.351 -7.971 1.00 0.33 C ATOM 2708 CD1 LEU B 67 -9.480 3.476 -6.560 1.00 0.30 C ATOM 2709 CD2 LEU B 67 -7.427 3.457 -7.995 1.00 0.37 C ATOM 0 H LEU B 67 -10.571 3.616 -10.093 1.00 0.41 H new ATOM 0 HA LEU B 67 -8.237 1.902 -10.390 1.00 0.39 H new ATOM 0 HB2 LEU B 67 -10.453 1.874 -8.324 1.00 0.34 H new ATOM 0 HB3 LEU B 67 -8.835 1.222 -8.160 1.00 0.34 H new ATOM 0 HG LEU B 67 -9.341 4.177 -8.562 1.00 0.33 H new ATOM 0 HD11 LEU B 67 -9.142 4.416 -6.125 1.00 0.30 H new ATOM 0 HD12 LEU B 67 -10.570 3.457 -6.581 1.00 0.30 H new ATOM 0 HD13 LEU B 67 -9.114 2.645 -5.957 1.00 0.30 H new ATOM 0 HD21 LEU B 67 -7.121 4.401 -7.545 1.00 0.37 H new ATOM 0 HD22 LEU B 67 -6.996 2.630 -7.432 1.00 0.37 H new ATOM 0 HD23 LEU B 67 -7.076 3.416 -9.026 1.00 0.37 H new ATOM 2721 N ASP B 68 -11.318 0.897 -10.811 1.00 0.39 N ATOM 2722 CA ASP B 68 -12.184 -0.150 -11.352 1.00 0.42 C ATOM 2723 C ASP B 68 -11.720 -0.515 -12.745 1.00 0.52 C ATOM 2724 O ASP B 68 -12.267 -0.084 -13.762 1.00 0.57 O ATOM 2725 CB ASP B 68 -13.648 0.320 -11.356 1.00 0.43 C ATOM 2726 CG ASP B 68 -14.587 -0.583 -12.141 1.00 0.46 C ATOM 2727 OD1 ASP B 68 -14.683 -1.787 -11.829 1.00 1.23 O ATOM 2728 OD2 ASP B 68 -15.260 -0.074 -13.071 1.00 1.13 O ATOM 0 H ASP B 68 -11.812 1.765 -10.607 1.00 0.39 H new ATOM 0 HA ASP B 68 -12.123 -1.038 -10.722 1.00 0.42 H new ATOM 0 HB2 ASP B 68 -14.000 0.386 -10.327 1.00 0.43 H new ATOM 0 HB3 ASP B 68 -13.695 1.326 -11.774 1.00 0.43 H new ATOM 2733 N THR B 69 -10.666 -1.279 -12.755 1.00 0.58 N ATOM 2734 CA THR B 69 -10.037 -1.739 -13.957 1.00 0.74 C ATOM 2735 C THR B 69 -10.697 -3.039 -14.392 1.00 0.83 C ATOM 2736 O THR B 69 -10.545 -3.492 -15.529 1.00 0.99 O ATOM 2737 CB THR B 69 -8.531 -1.934 -13.702 1.00 0.79 C ATOM 2738 OG1 THR B 69 -7.798 -1.880 -14.934 1.00 0.91 O ATOM 2739 CG2 THR B 69 -8.262 -3.263 -13.017 1.00 0.82 C ATOM 0 H THR B 69 -10.209 -1.607 -11.904 1.00 0.58 H new ATOM 0 HA THR B 69 -10.154 -1.006 -14.755 1.00 0.74 H new ATOM 0 HB THR B 69 -8.201 -1.126 -13.050 1.00 0.79 H new ATOM 0 HG1 THR B 69 -6.843 -2.004 -14.752 1.00 0.91 H new ATOM 0 HG21 THR B 69 -7.191 -3.375 -12.849 1.00 0.82 H new ATOM 0 HG22 THR B 69 -8.785 -3.292 -12.061 1.00 0.82 H new ATOM 0 HG23 THR B 69 -8.617 -4.077 -13.649 1.00 0.82 H new ATOM 2747 N ASN B 70 -11.444 -3.627 -13.461 1.00 0.80 N ATOM 2748 CA ASN B 70 -12.245 -4.808 -13.740 1.00 0.94 C ATOM 2749 C ASN B 70 -13.508 -4.381 -14.469 1.00 0.86 C ATOM 2750 O ASN B 70 -14.210 -5.188 -15.084 1.00 0.98 O ATOM 2751 CB ASN B 70 -12.610 -5.490 -12.425 1.00 1.00 C ATOM 2752 CG ASN B 70 -12.649 -6.999 -12.529 1.00 1.25 C ATOM 2753 OD1 ASN B 70 -12.953 -7.562 -13.582 1.00 1.46 O ATOM 2754 ND2 ASN B 70 -12.337 -7.666 -11.429 1.00 1.66 N ATOM 0 H ASN B 70 -11.509 -3.298 -12.498 1.00 0.80 H new ATOM 0 HA ASN B 70 -11.683 -5.506 -14.360 1.00 0.94 H new ATOM 0 HB2 ASN B 70 -11.887 -5.203 -11.661 1.00 1.00 H new ATOM 0 HB3 ASN B 70 -13.584 -5.129 -12.094 1.00 1.00 H new ATOM 0 HD21 ASN B 70 -12.342 -8.686 -11.432 1.00 1.66 H new ATOM 0 HD22 ASN B 70 -12.091 -7.160 -10.578 1.00 1.66 H new ATOM 2761 N SER B 71 -13.755 -3.078 -14.391 1.00 0.70 N ATOM 2762 CA SER B 71 -14.822 -2.403 -15.115 1.00 0.66 C ATOM 2763 C SER B 71 -16.201 -2.943 -14.763 1.00 0.61 C ATOM 2764 O SER B 71 -17.104 -2.966 -15.602 1.00 0.66 O ATOM 2765 CB SER B 71 -14.577 -2.487 -16.623 1.00 0.82 C ATOM 2766 OG SER B 71 -13.286 -2.002 -16.957 1.00 1.48 O ATOM 0 H SER B 71 -13.204 -2.448 -13.808 1.00 0.70 H new ATOM 0 HA SER B 71 -14.807 -1.357 -14.807 1.00 0.66 H new ATOM 0 HB2 SER B 71 -14.678 -3.521 -16.954 1.00 0.82 H new ATOM 0 HB3 SER B 71 -15.335 -1.908 -17.151 1.00 0.82 H new ATOM 0 HG SER B 71 -13.152 -2.068 -17.926 1.00 1.48 H new ATOM 2772 N ASP B 72 -16.377 -3.341 -13.519 1.00 0.58 N ATOM 2773 CA ASP B 72 -17.676 -3.817 -13.070 1.00 0.65 C ATOM 2774 C ASP B 72 -18.177 -2.984 -11.901 1.00 0.56 C ATOM 2775 O ASP B 72 -19.333 -3.098 -11.493 1.00 0.66 O ATOM 2776 CB ASP B 72 -17.649 -5.308 -12.709 1.00 0.80 C ATOM 2777 CG ASP B 72 -16.929 -5.626 -11.418 1.00 0.92 C ATOM 2778 OD1 ASP B 72 -15.693 -5.780 -11.447 1.00 1.56 O ATOM 2779 OD2 ASP B 72 -17.606 -5.786 -10.383 1.00 1.53 O ATOM 0 H ASP B 72 -15.648 -3.346 -12.806 1.00 0.58 H new ATOM 0 HA ASP B 72 -18.371 -3.701 -13.902 1.00 0.65 H new ATOM 0 HB2 ASP B 72 -18.674 -5.670 -12.637 1.00 0.80 H new ATOM 0 HB3 ASP B 72 -17.173 -5.857 -13.521 1.00 0.80 H new ATOM 2784 N GLY B 73 -17.314 -2.129 -11.374 1.00 0.45 N ATOM 2785 CA GLY B 73 -17.729 -1.220 -10.331 1.00 0.46 C ATOM 2786 C GLY B 73 -17.304 -1.679 -8.960 1.00 0.41 C ATOM 2787 O GLY B 73 -17.980 -1.395 -7.967 1.00 0.44 O ATOM 0 H GLY B 73 -16.335 -2.050 -11.651 1.00 0.45 H new ATOM 0 HA2 GLY B 73 -17.309 -0.233 -10.526 1.00 0.46 H new ATOM 0 HA3 GLY B 73 -18.814 -1.116 -10.355 1.00 0.46 H new ATOM 2791 N GLN B 74 -16.199 -2.402 -8.900 1.00 0.38 N ATOM 2792 CA GLN B 74 -15.640 -2.834 -7.638 1.00 0.37 C ATOM 2793 C GLN B 74 -14.135 -2.720 -7.705 1.00 0.36 C ATOM 2794 O GLN B 74 -13.560 -2.657 -8.789 1.00 0.39 O ATOM 2795 CB GLN B 74 -16.002 -4.284 -7.321 1.00 0.38 C ATOM 2796 CG GLN B 74 -17.472 -4.623 -7.482 1.00 0.41 C ATOM 2797 CD GLN B 74 -17.861 -5.900 -6.768 1.00 0.49 C ATOM 2798 OE1 GLN B 74 -17.296 -6.242 -5.734 1.00 1.02 O ATOM 2799 NE2 GLN B 74 -18.823 -6.621 -7.317 1.00 1.25 N ATOM 0 H GLN B 74 -15.670 -2.702 -9.719 1.00 0.38 H new ATOM 0 HA GLN B 74 -16.052 -2.199 -6.854 1.00 0.37 H new ATOM 0 HB2 GLN B 74 -15.420 -4.939 -7.969 1.00 0.38 H new ATOM 0 HB3 GLN B 74 -15.703 -4.502 -6.296 1.00 0.38 H new ATOM 0 HG2 GLN B 74 -18.074 -3.800 -7.098 1.00 0.41 H new ATOM 0 HG3 GLN B 74 -17.704 -4.720 -8.543 1.00 0.41 H new ATOM 0 HE21 GLN B 74 -19.270 -6.304 -8.178 1.00 1.25 H new ATOM 0 HE22 GLN B 74 -19.119 -7.494 -6.880 1.00 1.25 H new ATOM 2808 N LEU B 75 -13.500 -2.700 -6.556 1.00 0.33 N ATOM 2809 CA LEU B 75 -12.056 -2.642 -6.505 1.00 0.31 C ATOM 2810 C LEU B 75 -11.498 -3.924 -5.958 1.00 0.32 C ATOM 2811 O LEU B 75 -11.730 -4.276 -4.802 1.00 0.32 O ATOM 2812 CB LEU B 75 -11.582 -1.478 -5.654 1.00 0.31 C ATOM 2813 CG LEU B 75 -12.090 -0.124 -6.123 1.00 0.32 C ATOM 2814 CD1 LEU B 75 -11.439 0.989 -5.328 1.00 0.35 C ATOM 2815 CD2 LEU B 75 -11.833 0.038 -7.616 1.00 0.35 C ATOM 0 H LEU B 75 -13.959 -2.723 -5.645 1.00 0.33 H new ATOM 0 HA LEU B 75 -11.696 -2.497 -7.523 1.00 0.31 H new ATOM 0 HB2 LEU B 75 -11.903 -1.639 -4.625 1.00 0.31 H new ATOM 0 HB3 LEU B 75 -10.492 -1.464 -5.649 1.00 0.31 H new ATOM 0 HG LEU B 75 -13.165 -0.067 -5.954 1.00 0.32 H new ATOM 0 HD11 LEU B 75 -11.813 1.952 -5.676 1.00 0.35 H new ATOM 0 HD12 LEU B 75 -11.676 0.868 -4.271 1.00 0.35 H new ATOM 0 HD13 LEU B 75 -10.358 0.949 -5.464 1.00 0.35 H new ATOM 0 HD21 LEU B 75 -12.200 1.010 -7.945 1.00 0.35 H new ATOM 0 HD22 LEU B 75 -10.763 -0.031 -7.811 1.00 0.35 H new ATOM 0 HD23 LEU B 75 -12.353 -0.749 -8.162 1.00 0.35 H new ATOM 2827 N ASP B 76 -10.777 -4.627 -6.797 1.00 0.35 N ATOM 2828 CA ASP B 76 -10.139 -5.857 -6.386 1.00 0.36 C ATOM 2829 C ASP B 76 -8.896 -5.567 -5.587 1.00 0.33 C ATOM 2830 O ASP B 76 -8.552 -4.411 -5.333 1.00 0.32 O ATOM 2831 CB ASP B 76 -9.830 -6.746 -7.601 1.00 0.44 C ATOM 2832 CG ASP B 76 -8.357 -6.790 -8.006 1.00 0.91 C ATOM 2833 OD1 ASP B 76 -7.768 -5.738 -8.314 1.00 1.44 O ATOM 2834 OD2 ASP B 76 -7.780 -7.901 -8.022 1.00 1.68 O ATOM 0 H ASP B 76 -10.616 -4.369 -7.771 1.00 0.35 H new ATOM 0 HA ASP B 76 -10.829 -6.405 -5.744 1.00 0.36 H new ATOM 0 HB2 ASP B 76 -10.163 -7.761 -7.385 1.00 0.44 H new ATOM 0 HB3 ASP B 76 -10.415 -6.393 -8.450 1.00 0.44 H new ATOM 2839 N PHE B 77 -8.268 -6.641 -5.180 1.00 0.40 N ATOM 2840 CA PHE B 77 -7.024 -6.624 -4.457 1.00 0.49 C ATOM 2841 C PHE B 77 -6.083 -5.523 -4.954 1.00 0.39 C ATOM 2842 O PHE B 77 -5.701 -4.642 -4.196 1.00 0.38 O ATOM 2843 CB PHE B 77 -6.394 -7.985 -4.673 1.00 0.72 C ATOM 2844 CG PHE B 77 -7.196 -9.121 -4.109 1.00 1.75 C ATOM 2845 CD1 PHE B 77 -7.096 -9.471 -2.775 1.00 2.56 C ATOM 2846 CD2 PHE B 77 -8.058 -9.838 -4.924 1.00 2.66 C ATOM 2847 CE1 PHE B 77 -7.840 -10.516 -2.264 1.00 3.67 C ATOM 2848 CE2 PHE B 77 -8.804 -10.882 -4.419 1.00 3.77 C ATOM 2849 CZ PHE B 77 -8.696 -11.221 -3.088 1.00 4.14 C ATOM 0 H PHE B 77 -8.622 -7.583 -5.349 1.00 0.40 H new ATOM 0 HA PHE B 77 -7.204 -6.416 -3.402 1.00 0.49 H new ATOM 0 HB2 PHE B 77 -6.256 -8.146 -5.742 1.00 0.72 H new ATOM 0 HB3 PHE B 77 -5.403 -7.992 -4.220 1.00 0.72 H new ATOM 0 HD1 PHE B 77 -6.430 -8.922 -2.127 1.00 2.56 H new ATOM 0 HD2 PHE B 77 -8.146 -9.576 -5.968 1.00 2.66 H new ATOM 0 HE1 PHE B 77 -7.753 -10.782 -1.221 1.00 3.67 H new ATOM 0 HE2 PHE B 77 -9.471 -11.433 -5.065 1.00 3.77 H new ATOM 0 HZ PHE B 77 -9.280 -12.037 -2.689 1.00 4.14 H new ATOM 2859 N SER B 78 -5.758 -5.553 -6.239 1.00 0.38 N ATOM 2860 CA SER B 78 -4.813 -4.608 -6.814 1.00 0.38 C ATOM 2861 C SER B 78 -5.480 -3.279 -7.159 1.00 0.38 C ATOM 2862 O SER B 78 -4.814 -2.253 -7.211 1.00 0.44 O ATOM 2863 CB SER B 78 -4.165 -5.201 -8.065 1.00 0.44 C ATOM 2864 OG SER B 78 -3.160 -4.344 -8.586 1.00 1.32 O ATOM 0 H SER B 78 -6.138 -6.226 -6.905 1.00 0.38 H new ATOM 0 HA SER B 78 -4.047 -4.415 -6.063 1.00 0.38 H new ATOM 0 HB2 SER B 78 -3.729 -6.171 -7.825 1.00 0.44 H new ATOM 0 HB3 SER B 78 -4.928 -5.373 -8.824 1.00 0.44 H new ATOM 0 HG SER B 78 -2.764 -4.752 -9.384 1.00 1.32 H new ATOM 2870 N GLU B 79 -6.782 -3.291 -7.401 1.00 0.36 N ATOM 2871 CA GLU B 79 -7.497 -2.070 -7.750 1.00 0.42 C ATOM 2872 C GLU B 79 -7.593 -1.141 -6.545 1.00 0.33 C ATOM 2873 O GLU B 79 -7.394 0.069 -6.661 1.00 0.33 O ATOM 2874 CB GLU B 79 -8.881 -2.413 -8.297 1.00 0.51 C ATOM 2875 CG GLU B 79 -8.811 -3.237 -9.570 1.00 0.64 C ATOM 2876 CD GLU B 79 -10.159 -3.718 -10.065 1.00 1.81 C ATOM 2877 OE1 GLU B 79 -10.817 -2.977 -10.807 1.00 2.57 O ATOM 2878 OE2 GLU B 79 -10.536 -4.863 -9.749 1.00 2.54 O ATOM 0 H GLU B 79 -7.364 -4.128 -7.363 1.00 0.36 H new ATOM 0 HA GLU B 79 -6.943 -1.545 -8.528 1.00 0.42 H new ATOM 0 HB2 GLU B 79 -9.441 -2.963 -7.541 1.00 0.51 H new ATOM 0 HB3 GLU B 79 -9.430 -1.492 -8.493 1.00 0.51 H new ATOM 0 HG2 GLU B 79 -8.340 -2.641 -10.351 1.00 0.64 H new ATOM 0 HG3 GLU B 79 -8.169 -4.101 -9.397 1.00 0.64 H new ATOM 2885 N PHE B 80 -7.863 -1.719 -5.383 1.00 0.28 N ATOM 2886 CA PHE B 80 -7.898 -0.956 -4.142 1.00 0.25 C ATOM 2887 C PHE B 80 -6.479 -0.571 -3.729 1.00 0.23 C ATOM 2888 O PHE B 80 -6.259 0.457 -3.096 1.00 0.26 O ATOM 2889 CB PHE B 80 -8.586 -1.769 -3.038 1.00 0.31 C ATOM 2890 CG PHE B 80 -8.656 -1.073 -1.706 1.00 0.71 C ATOM 2891 CD1 PHE B 80 -9.609 -0.099 -1.467 1.00 1.60 C ATOM 2892 CD2 PHE B 80 -7.767 -1.400 -0.694 1.00 1.26 C ATOM 2893 CE1 PHE B 80 -9.675 0.539 -0.242 1.00 1.98 C ATOM 2894 CE2 PHE B 80 -7.827 -0.767 0.530 1.00 1.56 C ATOM 2895 CZ PHE B 80 -8.783 0.204 0.758 1.00 1.64 C ATOM 0 H PHE B 80 -8.061 -2.714 -5.273 1.00 0.28 H new ATOM 0 HA PHE B 80 -8.473 -0.043 -4.300 1.00 0.25 H new ATOM 0 HB2 PHE B 80 -9.598 -2.013 -3.360 1.00 0.31 H new ATOM 0 HB3 PHE B 80 -8.055 -2.713 -2.914 1.00 0.31 H new ATOM 0 HD1 PHE B 80 -10.309 0.166 -2.246 1.00 1.60 H new ATOM 0 HD2 PHE B 80 -7.019 -2.159 -0.866 1.00 1.26 H new ATOM 0 HE1 PHE B 80 -10.423 1.298 -0.067 1.00 1.98 H new ATOM 0 HE2 PHE B 80 -7.127 -1.030 1.309 1.00 1.56 H new ATOM 0 HZ PHE B 80 -8.833 0.700 1.716 1.00 1.64 H new ATOM 2905 N LEU B 81 -5.516 -1.395 -4.114 1.00 0.25 N ATOM 2906 CA LEU B 81 -4.120 -1.120 -3.813 1.00 0.26 C ATOM 2907 C LEU B 81 -3.542 -0.084 -4.760 1.00 0.26 C ATOM 2908 O LEU B 81 -2.664 0.688 -4.380 1.00 0.27 O ATOM 2909 CB LEU B 81 -3.299 -2.394 -3.873 1.00 0.29 C ATOM 2910 CG LEU B 81 -3.582 -3.391 -2.749 1.00 0.28 C ATOM 2911 CD1 LEU B 81 -2.689 -4.606 -2.894 1.00 0.33 C ATOM 2912 CD2 LEU B 81 -3.410 -2.737 -1.377 1.00 0.29 C ATOM 0 H LEU B 81 -5.675 -2.258 -4.634 1.00 0.25 H new ATOM 0 HA LEU B 81 -4.076 -0.717 -2.801 1.00 0.26 H new ATOM 0 HB2 LEU B 81 -3.483 -2.884 -4.829 1.00 0.29 H new ATOM 0 HB3 LEU B 81 -2.242 -2.130 -3.848 1.00 0.29 H new ATOM 0 HG LEU B 81 -4.620 -3.716 -2.826 1.00 0.28 H new ATOM 0 HD11 LEU B 81 -2.899 -5.310 -2.088 1.00 0.33 H new ATOM 0 HD12 LEU B 81 -2.880 -5.086 -3.854 1.00 0.33 H new ATOM 0 HD13 LEU B 81 -1.645 -4.298 -2.844 1.00 0.33 H new ATOM 0 HD21 LEU B 81 -3.618 -3.469 -0.596 1.00 0.29 H new ATOM 0 HD22 LEU B 81 -2.387 -2.375 -1.272 1.00 0.29 H new ATOM 0 HD23 LEU B 81 -4.103 -1.900 -1.283 1.00 0.29 H new ATOM 2924 N ASN B 82 -4.027 -0.075 -5.994 1.00 0.26 N ATOM 2925 CA ASN B 82 -3.667 0.972 -6.935 1.00 0.26 C ATOM 2926 C ASN B 82 -4.084 2.308 -6.364 1.00 0.23 C ATOM 2927 O ASN B 82 -3.390 3.317 -6.494 1.00 0.24 O ATOM 2928 CB ASN B 82 -4.352 0.760 -8.288 1.00 0.30 C ATOM 2929 CG ASN B 82 -3.440 0.117 -9.317 1.00 0.78 C ATOM 2930 OD1 ASN B 82 -2.549 -0.661 -8.980 1.00 1.50 O ATOM 2931 ND2 ASN B 82 -3.658 0.447 -10.581 1.00 1.42 N ATOM 0 H ASN B 82 -4.667 -0.778 -6.364 1.00 0.26 H new ATOM 0 HA ASN B 82 -2.589 0.944 -7.092 1.00 0.26 H new ATOM 0 HB2 ASN B 82 -5.233 0.134 -8.149 1.00 0.30 H new ATOM 0 HB3 ASN B 82 -4.700 1.721 -8.668 1.00 0.30 H new ATOM 0 HD21 ASN B 82 -3.075 0.052 -11.319 1.00 1.42 H new ATOM 0 HD22 ASN B 82 -4.408 1.097 -10.816 1.00 1.42 H new ATOM 2938 N LEU B 83 -5.240 2.284 -5.727 1.00 0.23 N ATOM 2939 CA LEU B 83 -5.737 3.406 -4.970 1.00 0.24 C ATOM 2940 C LEU B 83 -4.777 3.780 -3.863 1.00 0.23 C ATOM 2941 O LEU B 83 -4.352 4.924 -3.761 1.00 0.25 O ATOM 2942 CB LEU B 83 -7.068 3.037 -4.354 1.00 0.27 C ATOM 2943 CG LEU B 83 -7.460 3.881 -3.156 1.00 0.31 C ATOM 2944 CD1 LEU B 83 -7.840 5.288 -3.593 1.00 0.35 C ATOM 2945 CD2 LEU B 83 -8.582 3.216 -2.391 1.00 0.36 C ATOM 0 H LEU B 83 -5.862 1.476 -5.724 1.00 0.23 H new ATOM 0 HA LEU B 83 -5.846 4.256 -5.644 1.00 0.24 H new ATOM 0 HB2 LEU B 83 -7.844 3.126 -5.115 1.00 0.27 H new ATOM 0 HB3 LEU B 83 -7.037 1.990 -4.051 1.00 0.27 H new ATOM 0 HG LEU B 83 -6.602 3.965 -2.488 1.00 0.31 H new ATOM 0 HD11 LEU B 83 -8.118 5.878 -2.719 1.00 0.35 H new ATOM 0 HD12 LEU B 83 -6.991 5.756 -4.091 1.00 0.35 H new ATOM 0 HD13 LEU B 83 -8.684 5.240 -4.282 1.00 0.35 H new ATOM 0 HD21 LEU B 83 -8.853 3.832 -1.534 1.00 0.36 H new ATOM 0 HD22 LEU B 83 -9.448 3.100 -3.043 1.00 0.36 H new ATOM 0 HD23 LEU B 83 -8.255 2.236 -2.044 1.00 0.36 H new ATOM 2957 N ILE B 84 -4.472 2.799 -3.027 1.00 0.24 N ATOM 2958 CA ILE B 84 -3.546 2.972 -1.922 1.00 0.26 C ATOM 2959 C ILE B 84 -2.245 3.612 -2.403 1.00 0.27 C ATOM 2960 O ILE B 84 -1.663 4.454 -1.718 1.00 0.29 O ATOM 2961 CB ILE B 84 -3.266 1.609 -1.255 1.00 0.29 C ATOM 2962 CG1 ILE B 84 -4.530 1.072 -0.577 1.00 0.55 C ATOM 2963 CG2 ILE B 84 -2.116 1.701 -0.259 1.00 0.47 C ATOM 2964 CD1 ILE B 84 -5.112 1.993 0.471 1.00 0.62 C ATOM 0 H ILE B 84 -4.862 1.859 -3.097 1.00 0.24 H new ATOM 0 HA ILE B 84 -3.998 3.638 -1.187 1.00 0.26 H new ATOM 0 HB ILE B 84 -2.969 0.910 -2.037 1.00 0.29 H new ATOM 0 HG12 ILE B 84 -5.286 0.885 -1.340 1.00 0.55 H new ATOM 0 HG13 ILE B 84 -4.300 0.113 -0.114 1.00 0.55 H new ATOM 0 HG21 ILE B 84 -1.946 0.723 0.192 1.00 0.47 H new ATOM 0 HG22 ILE B 84 -1.212 2.024 -0.776 1.00 0.47 H new ATOM 0 HG23 ILE B 84 -2.366 2.421 0.520 1.00 0.47 H new ATOM 0 HD11 ILE B 84 -6.004 1.537 0.901 1.00 0.62 H new ATOM 0 HD12 ILE B 84 -4.376 2.161 1.257 1.00 0.62 H new ATOM 0 HD13 ILE B 84 -5.377 2.945 0.012 1.00 0.62 H new ATOM 2976 N GLY B 85 -1.820 3.229 -3.601 1.00 0.26 N ATOM 2977 CA GLY B 85 -0.662 3.839 -4.216 1.00 0.29 C ATOM 2978 C GLY B 85 -0.844 5.329 -4.443 1.00 0.28 C ATOM 2979 O GLY B 85 0.018 6.122 -4.073 1.00 0.32 O ATOM 0 H GLY B 85 -2.263 2.500 -4.160 1.00 0.26 H new ATOM 0 HA2 GLY B 85 0.211 3.675 -3.584 1.00 0.29 H new ATOM 0 HA3 GLY B 85 -0.461 3.351 -5.170 1.00 0.29 H new ATOM 2983 N GLY B 86 -1.984 5.720 -5.012 1.00 0.27 N ATOM 2984 CA GLY B 86 -2.213 7.121 -5.321 1.00 0.30 C ATOM 2985 C GLY B 86 -2.462 7.921 -4.068 1.00 0.29 C ATOM 2986 O GLY B 86 -2.085 9.088 -3.967 1.00 0.34 O ATOM 0 H GLY B 86 -2.749 5.094 -5.263 1.00 0.27 H new ATOM 0 HA2 GLY B 86 -1.349 7.526 -5.849 1.00 0.30 H new ATOM 0 HA3 GLY B 86 -3.068 7.214 -5.991 1.00 0.30 H new ATOM 2990 N LEU B 87 -3.080 7.263 -3.105 1.00 0.25 N ATOM 2991 CA LEU B 87 -3.334 7.840 -1.799 1.00 0.25 C ATOM 2992 C LEU B 87 -2.025 8.159 -1.113 1.00 0.26 C ATOM 2993 O LEU B 87 -1.775 9.297 -0.716 1.00 0.29 O ATOM 2994 CB LEU B 87 -4.107 6.855 -0.934 1.00 0.25 C ATOM 2995 CG LEU B 87 -5.596 6.727 -1.222 1.00 0.26 C ATOM 2996 CD1 LEU B 87 -6.161 5.559 -0.445 1.00 0.26 C ATOM 2997 CD2 LEU B 87 -6.325 8.009 -0.855 1.00 0.35 C ATOM 0 H LEU B 87 -3.422 6.307 -3.208 1.00 0.25 H new ATOM 0 HA LEU B 87 -3.917 8.752 -1.932 1.00 0.25 H new ATOM 0 HB2 LEU B 87 -3.651 5.871 -1.046 1.00 0.25 H new ATOM 0 HB3 LEU B 87 -3.984 7.147 0.109 1.00 0.25 H new ATOM 0 HG LEU B 87 -5.737 6.552 -2.288 1.00 0.26 H new ATOM 0 HD11 LEU B 87 -7.227 5.467 -0.651 1.00 0.26 H new ATOM 0 HD12 LEU B 87 -5.653 4.643 -0.745 1.00 0.26 H new ATOM 0 HD13 LEU B 87 -6.010 5.725 0.622 1.00 0.26 H new ATOM 0 HD21 LEU B 87 -7.388 7.897 -1.068 1.00 0.35 H new ATOM 0 HD22 LEU B 87 -6.188 8.214 0.207 1.00 0.35 H new ATOM 0 HD23 LEU B 87 -5.923 8.836 -1.440 1.00 0.35 H new ATOM 3009 N ALA B 88 -1.189 7.136 -0.992 1.00 0.25 N ATOM 3010 CA ALA B 88 0.098 7.272 -0.342 1.00 0.27 C ATOM 3011 C ALA B 88 0.929 8.328 -1.014 1.00 0.29 C ATOM 3012 O ALA B 88 1.686 9.038 -0.367 1.00 0.35 O ATOM 3013 CB ALA B 88 0.857 5.969 -0.367 1.00 0.26 C ATOM 0 H ALA B 88 -1.386 6.198 -1.340 1.00 0.25 H new ATOM 0 HA ALA B 88 -0.092 7.561 0.692 1.00 0.27 H new ATOM 0 HB1 ALA B 88 1.820 6.099 0.128 1.00 0.26 H new ATOM 0 HB2 ALA B 88 0.282 5.203 0.154 1.00 0.26 H new ATOM 0 HB3 ALA B 88 1.019 5.662 -1.400 1.00 0.26 H new ATOM 3019 N MET B 89 0.790 8.414 -2.319 1.00 0.29 N ATOM 3020 CA MET B 89 1.529 9.387 -3.083 1.00 0.32 C ATOM 3021 C MET B 89 1.058 10.792 -2.765 1.00 0.34 C ATOM 3022 O MET B 89 1.867 11.705 -2.622 1.00 0.39 O ATOM 3023 CB MET B 89 1.407 9.107 -4.573 1.00 0.34 C ATOM 3024 CG MET B 89 2.215 7.906 -5.011 1.00 0.42 C ATOM 3025 SD MET B 89 2.435 7.841 -6.801 1.00 1.03 S ATOM 3026 CE MET B 89 0.739 7.685 -7.353 1.00 1.89 C ATOM 0 H MET B 89 0.171 7.820 -2.871 1.00 0.29 H new ATOM 0 HA MET B 89 2.580 9.308 -2.804 1.00 0.32 H new ATOM 0 HB2 MET B 89 0.359 8.945 -4.823 1.00 0.34 H new ATOM 0 HB3 MET B 89 1.736 9.984 -5.131 1.00 0.34 H new ATOM 0 HG2 MET B 89 3.192 7.933 -4.528 1.00 0.42 H new ATOM 0 HG3 MET B 89 1.719 6.995 -4.675 1.00 0.42 H new ATOM 0 HE1 MET B 89 0.719 7.562 -8.436 1.00 1.89 H new ATOM 0 HE2 MET B 89 0.281 6.816 -6.880 1.00 1.89 H new ATOM 0 HE3 MET B 89 0.183 8.582 -7.079 1.00 1.89 H new ATOM 3036 N ALA B 90 -0.250 10.953 -2.621 1.00 0.34 N ATOM 3037 CA ALA B 90 -0.829 12.246 -2.301 1.00 0.39 C ATOM 3038 C ALA B 90 -0.486 12.636 -0.870 1.00 0.42 C ATOM 3039 O ALA B 90 -0.171 13.791 -0.583 1.00 0.49 O ATOM 3040 CB ALA B 90 -2.334 12.210 -2.502 1.00 0.46 C ATOM 0 H ALA B 90 -0.931 10.200 -2.722 1.00 0.34 H new ATOM 0 HA ALA B 90 -0.410 12.997 -2.971 1.00 0.39 H new ATOM 0 HB1 ALA B 90 -2.757 13.185 -2.259 1.00 0.46 H new ATOM 0 HB2 ALA B 90 -2.557 11.967 -3.541 1.00 0.46 H new ATOM 0 HB3 ALA B 90 -2.770 11.453 -1.850 1.00 0.46 H new ATOM 3046 N CYS B 91 -0.534 11.654 0.019 1.00 0.41 N ATOM 3047 CA CYS B 91 -0.209 11.863 1.421 1.00 0.47 C ATOM 3048 C CYS B 91 1.282 12.135 1.592 1.00 0.44 C ATOM 3049 O CYS B 91 1.680 13.004 2.363 1.00 0.51 O ATOM 3050 CB CYS B 91 -0.630 10.643 2.243 1.00 0.55 C ATOM 3051 SG CYS B 91 -2.395 10.270 2.139 1.00 1.76 S ATOM 0 H CYS B 91 -0.798 10.696 -0.210 1.00 0.41 H new ATOM 0 HA CYS B 91 -0.756 12.734 1.781 1.00 0.47 H new ATOM 0 HB2 CYS B 91 -0.064 9.775 1.905 1.00 0.55 H new ATOM 0 HB3 CYS B 91 -0.364 10.810 3.287 1.00 0.55 H new ATOM 0 HG CYS B 91 -2.666 9.774 0.968 1.00 1.76 H new ATOM 3057 N HIS B 92 2.108 11.405 0.852 1.00 0.41 N ATOM 3058 CA HIS B 92 3.547 11.601 0.911 1.00 0.46 C ATOM 3059 C HIS B 92 3.895 12.946 0.302 1.00 0.45 C ATOM 3060 O HIS B 92 4.816 13.618 0.752 1.00 0.49 O ATOM 3061 CB HIS B 92 4.291 10.490 0.166 1.00 0.54 C ATOM 3062 CG HIS B 92 5.628 10.160 0.761 1.00 1.21 C ATOM 3063 ND1 HIS B 92 6.537 11.116 1.158 1.00 2.12 N ATOM 3064 CD2 HIS B 92 6.192 8.964 1.056 1.00 1.96 C ATOM 3065 CE1 HIS B 92 7.601 10.524 1.672 1.00 2.74 C ATOM 3066 NE2 HIS B 92 7.417 9.218 1.624 1.00 2.62 N ATOM 0 H HIS B 92 1.805 10.675 0.207 1.00 0.41 H new ATOM 0 HA HIS B 92 3.856 11.572 1.956 1.00 0.46 H new ATOM 0 HB2 HIS B 92 3.674 9.592 0.159 1.00 0.54 H new ATOM 0 HB3 HIS B 92 4.429 10.790 -0.873 1.00 0.54 H new ATOM 0 HD1 HIS B 92 6.409 12.124 1.069 1.00 2.12 H new ATOM 0 HD2 HIS B 92 5.759 7.991 0.878 1.00 1.96 H new ATOM 0 HE1 HIS B 92 8.474 11.024 2.065 1.00 2.74 H new ATOM 3075 N ASP B 93 3.144 13.326 -0.724 1.00 0.45 N ATOM 3076 CA ASP B 93 3.303 14.624 -1.365 1.00 0.52 C ATOM 3077 C ASP B 93 2.907 15.733 -0.397 1.00 0.56 C ATOM 3078 O ASP B 93 3.495 16.806 -0.392 1.00 0.65 O ATOM 3079 CB ASP B 93 2.454 14.689 -2.636 1.00 0.54 C ATOM 3080 CG ASP B 93 2.630 15.983 -3.403 1.00 0.92 C ATOM 3081 OD1 ASP B 93 3.654 16.126 -4.108 1.00 1.48 O ATOM 3082 OD2 ASP B 93 1.731 16.847 -3.326 1.00 1.74 O ATOM 0 H ASP B 93 2.411 12.746 -1.133 1.00 0.45 H new ATOM 0 HA ASP B 93 4.348 14.761 -1.641 1.00 0.52 H new ATOM 0 HB2 ASP B 93 2.715 13.852 -3.283 1.00 0.54 H new ATOM 0 HB3 ASP B 93 1.403 14.571 -2.370 1.00 0.54 H new ATOM 3087 N SER B 94 1.925 15.441 0.447 1.00 0.54 N ATOM 3088 CA SER B 94 1.507 16.359 1.495 1.00 0.60 C ATOM 3089 C SER B 94 2.670 16.590 2.446 1.00 0.63 C ATOM 3090 O SER B 94 2.966 17.718 2.825 1.00 0.70 O ATOM 3091 CB SER B 94 0.319 15.770 2.260 1.00 0.65 C ATOM 3092 OG SER B 94 -0.245 16.706 3.164 1.00 1.26 O ATOM 0 H SER B 94 1.400 14.567 0.424 1.00 0.54 H new ATOM 0 HA SER B 94 1.204 17.307 1.051 1.00 0.60 H new ATOM 0 HB2 SER B 94 -0.443 15.445 1.552 1.00 0.65 H new ATOM 0 HB3 SER B 94 0.643 14.886 2.808 1.00 0.65 H new ATOM 0 HG SER B 94 -1.001 16.294 3.632 1.00 1.26 H new ATOM 3098 N PHE B 95 3.335 15.496 2.802 1.00 0.60 N ATOM 3099 CA PHE B 95 4.529 15.542 3.631 1.00 0.67 C ATOM 3100 C PHE B 95 5.621 16.348 2.943 1.00 0.73 C ATOM 3101 O PHE B 95 6.338 17.103 3.575 1.00 0.84 O ATOM 3102 CB PHE B 95 5.034 14.126 3.899 1.00 0.64 C ATOM 3103 CG PHE B 95 4.373 13.440 5.064 1.00 0.78 C ATOM 3104 CD1 PHE B 95 3.032 13.095 5.019 1.00 1.80 C ATOM 3105 CD2 PHE B 95 5.097 13.139 6.207 1.00 1.29 C ATOM 3106 CE1 PHE B 95 2.426 12.465 6.088 1.00 2.35 C ATOM 3107 CE2 PHE B 95 4.496 12.508 7.280 1.00 1.76 C ATOM 3108 CZ PHE B 95 3.159 12.171 7.219 1.00 2.07 C ATOM 0 H PHE B 95 3.060 14.554 2.523 1.00 0.60 H new ATOM 0 HA PHE B 95 4.275 16.021 4.576 1.00 0.67 H new ATOM 0 HB2 PHE B 95 4.881 13.523 3.004 1.00 0.64 H new ATOM 0 HB3 PHE B 95 6.109 14.164 4.078 1.00 0.64 H new ATOM 0 HD1 PHE B 95 2.453 13.322 4.136 1.00 1.80 H new ATOM 0 HD2 PHE B 95 6.143 13.401 6.260 1.00 1.29 H new ATOM 0 HE1 PHE B 95 1.379 12.203 6.039 1.00 2.35 H new ATOM 0 HE2 PHE B 95 5.072 12.279 8.165 1.00 1.76 H new ATOM 0 HZ PHE B 95 2.687 11.678 8.056 1.00 2.07 H new