USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 949 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 ASN : amide:sc= -2.8! C(o=-2.8!,f=-6.1!) USER MOD Set 1.2: A 108 SER OG : rot -34:sc= 0.00328 USER MOD Set 2.1: A 80 THR OG1 : rot 24:sc= 0.733 USER MOD Set 2.2: A 83 SER OG : rot 104:sc= 0.878 USER MOD Set 3.1: A 63 SER OG : rot 110:sc= 1.27 USER MOD Set 3.2: A 99 CYS SG : rot 71:sc= -1.82 USER MOD Set 4.1: A 19 LYS NZ :NH3+ -160:sc= 0.358 (180deg=0) USER MOD Set 4.2: A 21 ASN : amide:sc= -2.16! C(o=-1.8!,f=-9.8!) USER MOD Set 4.3: A 24 THR OG1 : rot -70:sc= 0.0232 USER MOD Single : A 5 MET CE :methyl 157:sc= -0.169 (180deg=-0.878) USER MOD Single : A 7 MET CE :methyl -136:sc= -1.84 (180deg=-4.57!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -132:sc= -0.46 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0767 K(o=-0.077,f=-0.9) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0365 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -170:sc= -0.6 USER MOD Single : A 41 ASN : amide:sc= -0.095 K(o=-0.095,f=-3.7!) USER MOD Single : A 44 TYR OH : rot 31:sc= 0.0789 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 169:sc= 1.23 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.414 X(o=0.41,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= -0.272 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0613 USER MOD Single : A 71 THR OG1 : rot 45:sc= 0.162 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 167:sc= -0.0233 (180deg=-0.186) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.0013) USER MOD Single : A 87 SER OG : rot -27:sc= 0.034 USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.0153 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.016) USER MOD Single : A 98 HIS : no HD1:sc= -0.817 K(o=-0.82,f=-4.4!) USER MOD Single : A 104 SER OG : rot -2:sc= 1.26 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -121:sc= 0.294 (180deg=-0.00608) USER MOD Single : A 116 CYS SG : rot -130:sc= -1.87 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 4 5.526 10.298 -7.605 1.00 0.61 N ATOM 2 CA ALA A 4 4.779 9.249 -6.940 1.00 0.53 C ATOM 3 C ALA A 4 4.796 7.988 -7.786 1.00 0.44 C ATOM 4 O ALA A 4 4.058 7.875 -8.767 1.00 0.54 O ATOM 5 CB ALA A 4 3.350 9.695 -6.673 1.00 0.64 C ATOM 0 HA ALA A 4 5.251 9.036 -5.981 1.00 0.53 H new ATOM 0 HB1 ALA A 4 2.806 8.893 -6.173 1.00 0.64 H new ATOM 0 HB2 ALA A 4 3.358 10.580 -6.037 1.00 0.64 H new ATOM 0 HB3 ALA A 4 2.860 9.932 -7.618 1.00 0.64 H new ATOM 11 N MET A 5 5.653 7.055 -7.413 1.00 0.39 N ATOM 12 CA MET A 5 5.806 5.810 -8.146 1.00 0.37 C ATOM 13 C MET A 5 4.712 4.833 -7.768 1.00 0.30 C ATOM 14 O MET A 5 4.671 4.374 -6.635 1.00 0.29 O ATOM 15 CB MET A 5 7.164 5.183 -7.835 1.00 0.43 C ATOM 16 CG MET A 5 8.339 5.923 -8.444 1.00 1.01 C ATOM 17 SD MET A 5 9.911 5.089 -8.146 1.00 1.80 S ATOM 18 CE MET A 5 9.637 3.538 -9.001 1.00 1.60 C ATOM 0 H MET A 5 6.260 7.137 -6.598 1.00 0.39 H new ATOM 0 HA MET A 5 5.738 6.031 -9.211 1.00 0.37 H new ATOM 0 HB2 MET A 5 7.295 5.142 -6.754 1.00 0.43 H new ATOM 0 HB3 MET A 5 7.169 4.154 -8.196 1.00 0.43 H new ATOM 0 HG2 MET A 5 8.183 6.024 -9.518 1.00 1.01 H new ATOM 0 HG3 MET A 5 8.382 6.931 -8.032 1.00 1.01 H new ATOM 0 HE1 MET A 5 10.597 3.094 -9.266 1.00 1.60 H new ATOM 0 HE2 MET A 5 9.089 2.856 -8.351 1.00 1.60 H new ATOM 0 HE3 MET A 5 9.058 3.719 -9.907 1.00 1.60 H new ATOM 28 N PRO A 6 3.811 4.496 -8.702 1.00 0.30 N ATOM 29 CA PRO A 6 2.739 3.535 -8.449 1.00 0.28 C ATOM 30 C PRO A 6 3.274 2.285 -7.758 1.00 0.27 C ATOM 31 O PRO A 6 4.189 1.632 -8.259 1.00 0.30 O ATOM 32 CB PRO A 6 2.201 3.198 -9.849 1.00 0.32 C ATOM 33 CG PRO A 6 3.112 3.879 -10.820 1.00 0.47 C ATOM 34 CD PRO A 6 3.767 5.004 -10.076 1.00 0.36 C ATOM 0 HA PRO A 6 1.970 3.935 -7.788 1.00 0.28 H new ATOM 0 HB2 PRO A 6 2.192 2.121 -10.014 1.00 0.32 H new ATOM 0 HB3 PRO A 6 1.175 3.547 -9.967 1.00 0.32 H new ATOM 0 HG2 PRO A 6 3.857 3.183 -11.205 1.00 0.47 H new ATOM 0 HG3 PRO A 6 2.553 4.255 -11.677 1.00 0.47 H new ATOM 0 HD2 PRO A 6 4.764 5.218 -10.461 1.00 0.36 H new ATOM 0 HD3 PRO A 6 3.192 5.927 -10.149 1.00 0.36 H new ATOM 42 N MET A 7 2.704 1.963 -6.599 1.00 0.24 N ATOM 43 CA MET A 7 3.231 0.898 -5.755 1.00 0.24 C ATOM 44 C MET A 7 3.128 -0.449 -6.456 1.00 0.28 C ATOM 45 O MET A 7 3.940 -1.338 -6.229 1.00 0.32 O ATOM 46 CB MET A 7 2.486 0.867 -4.417 1.00 0.22 C ATOM 47 CG MET A 7 3.376 1.170 -3.224 1.00 0.31 C ATOM 48 SD MET A 7 4.584 -0.135 -2.922 1.00 0.62 S ATOM 49 CE MET A 7 5.232 0.360 -1.330 1.00 0.63 C ATOM 0 H MET A 7 1.876 2.426 -6.224 1.00 0.24 H new ATOM 0 HA MET A 7 4.285 1.099 -5.564 1.00 0.24 H new ATOM 0 HB2 MET A 7 1.671 1.591 -4.446 1.00 0.22 H new ATOM 0 HB3 MET A 7 2.034 -0.116 -4.284 1.00 0.22 H new ATOM 0 HG2 MET A 7 3.897 2.112 -3.392 1.00 0.31 H new ATOM 0 HG3 MET A 7 2.757 1.302 -2.336 1.00 0.31 H new ATOM 0 HE1 MET A 7 6.318 0.265 -1.334 1.00 0.63 H new ATOM 0 HE2 MET A 7 4.959 1.396 -1.132 1.00 0.63 H new ATOM 0 HE3 MET A 7 4.815 -0.280 -0.552 1.00 0.63 H new ATOM 59 N ILE A 8 2.137 -0.580 -7.325 1.00 0.29 N ATOM 60 CA ILE A 8 1.961 -1.793 -8.113 1.00 0.33 C ATOM 61 C ILE A 8 3.104 -1.938 -9.122 1.00 0.36 C ATOM 62 O ILE A 8 3.576 -3.043 -9.394 1.00 0.39 O ATOM 63 CB ILE A 8 0.589 -1.781 -8.828 1.00 0.37 C ATOM 64 CG1 ILE A 8 -0.535 -1.622 -7.800 1.00 0.42 C ATOM 65 CG2 ILE A 8 0.374 -3.052 -9.637 1.00 0.47 C ATOM 66 CD1 ILE A 8 -0.591 -2.750 -6.788 1.00 0.51 C ATOM 0 H ILE A 8 1.439 0.142 -7.504 1.00 0.29 H new ATOM 0 HA ILE A 8 1.984 -2.653 -7.444 1.00 0.33 H new ATOM 0 HB ILE A 8 0.576 -0.936 -9.516 1.00 0.37 H new ATOM 0 HG12 ILE A 8 -0.404 -0.677 -7.273 1.00 0.42 H new ATOM 0 HG13 ILE A 8 -1.490 -1.565 -8.323 1.00 0.42 H new ATOM 0 HG21 ILE A 8 -0.599 -3.011 -10.127 1.00 0.47 H new ATOM 0 HG22 ILE A 8 1.156 -3.140 -10.391 1.00 0.47 H new ATOM 0 HG23 ILE A 8 0.411 -3.916 -8.974 1.00 0.47 H new ATOM 0 HD11 ILE A 8 -1.410 -2.573 -6.091 1.00 0.51 H new ATOM 0 HD12 ILE A 8 -0.753 -3.695 -7.306 1.00 0.51 H new ATOM 0 HD13 ILE A 8 0.350 -2.793 -6.239 1.00 0.51 H new ATOM 78 N GLU A 9 3.567 -0.803 -9.645 1.00 0.38 N ATOM 79 CA GLU A 9 4.725 -0.768 -10.536 1.00 0.42 C ATOM 80 C GLU A 9 5.977 -1.163 -9.756 1.00 0.39 C ATOM 81 O GLU A 9 6.803 -1.948 -10.224 1.00 0.39 O ATOM 82 CB GLU A 9 4.893 0.643 -11.108 1.00 0.50 C ATOM 83 CG GLU A 9 6.027 0.789 -12.112 1.00 0.66 C ATOM 84 CD GLU A 9 5.646 0.327 -13.503 1.00 0.86 C ATOM 85 OE1 GLU A 9 5.096 1.132 -14.278 1.00 0.83 O ATOM 86 OE2 GLU A 9 5.882 -0.855 -13.822 1.00 1.72 O ATOM 0 H GLU A 9 3.153 0.112 -9.464 1.00 0.38 H new ATOM 0 HA GLU A 9 4.574 -1.469 -11.357 1.00 0.42 H new ATOM 0 HB2 GLU A 9 3.960 0.940 -11.588 1.00 0.50 H new ATOM 0 HB3 GLU A 9 5.063 1.337 -10.285 1.00 0.50 H new ATOM 0 HG2 GLU A 9 6.336 1.833 -12.154 1.00 0.66 H new ATOM 0 HG3 GLU A 9 6.887 0.215 -11.767 1.00 0.66 H new ATOM 93 N TYR A 10 6.091 -0.607 -8.551 1.00 0.41 N ATOM 94 CA TYR A 10 7.189 -0.916 -7.639 1.00 0.42 C ATOM 95 C TYR A 10 7.243 -2.417 -7.365 1.00 0.43 C ATOM 96 O TYR A 10 8.306 -3.036 -7.420 1.00 0.45 O ATOM 97 CB TYR A 10 6.999 -0.132 -6.330 1.00 0.43 C ATOM 98 CG TYR A 10 8.068 -0.370 -5.281 1.00 0.44 C ATOM 99 CD1 TYR A 10 9.325 0.217 -5.394 1.00 0.47 C ATOM 100 CD2 TYR A 10 7.828 -1.197 -4.191 1.00 0.43 C ATOM 101 CE1 TYR A 10 10.309 -0.014 -4.448 1.00 0.50 C ATOM 102 CE2 TYR A 10 8.805 -1.428 -3.241 1.00 0.45 C ATOM 103 CZ TYR A 10 10.017 -0.779 -3.336 1.00 0.47 C ATOM 104 OH TYR A 10 11.016 -1.067 -2.431 1.00 0.51 O ATOM 0 H TYR A 10 5.424 0.070 -8.180 1.00 0.41 H new ATOM 0 HA TYR A 10 8.134 -0.622 -8.096 1.00 0.42 H new ATOM 0 HB2 TYR A 10 6.970 0.933 -6.562 1.00 0.43 H new ATOM 0 HB3 TYR A 10 6.030 -0.392 -5.905 1.00 0.43 H new ATOM 0 HD1 TYR A 10 9.536 0.863 -6.233 1.00 0.47 H new ATOM 0 HD2 TYR A 10 6.862 -1.667 -4.084 1.00 0.43 H new ATOM 0 HE1 TYR A 10 11.298 0.401 -4.579 1.00 0.50 H new ATOM 0 HE2 TYR A 10 8.619 -2.114 -2.428 1.00 0.45 H new ATOM 0 HH TYR A 10 10.651 -1.613 -1.704 1.00 0.51 H new ATOM 114 N LEU A 11 6.083 -2.993 -7.090 1.00 0.43 N ATOM 115 CA LEU A 11 5.974 -4.425 -6.848 1.00 0.46 C ATOM 116 C LEU A 11 6.398 -5.219 -8.075 1.00 0.44 C ATOM 117 O LEU A 11 7.184 -6.159 -7.975 1.00 0.48 O ATOM 118 CB LEU A 11 4.540 -4.790 -6.477 1.00 0.50 C ATOM 119 CG LEU A 11 4.008 -4.125 -5.212 1.00 0.58 C ATOM 120 CD1 LEU A 11 2.523 -4.395 -5.057 1.00 0.66 C ATOM 121 CD2 LEU A 11 4.778 -4.611 -3.994 1.00 0.77 C ATOM 0 H LEU A 11 5.199 -2.488 -7.028 1.00 0.43 H new ATOM 0 HA LEU A 11 6.639 -4.677 -6.022 1.00 0.46 H new ATOM 0 HB2 LEU A 11 3.888 -4.526 -7.309 1.00 0.50 H new ATOM 0 HB3 LEU A 11 4.477 -5.871 -6.354 1.00 0.50 H new ATOM 0 HG LEU A 11 4.151 -3.048 -5.297 1.00 0.58 H new ATOM 0 HD11 LEU A 11 2.158 -3.914 -4.149 1.00 0.66 H new ATOM 0 HD12 LEU A 11 1.989 -3.996 -5.919 1.00 0.66 H new ATOM 0 HD13 LEU A 11 2.354 -5.470 -4.991 1.00 0.66 H new ATOM 0 HD21 LEU A 11 4.386 -4.127 -3.099 1.00 0.77 H new ATOM 0 HD22 LEU A 11 4.667 -5.691 -3.901 1.00 0.77 H new ATOM 0 HD23 LEU A 11 5.833 -4.363 -4.108 1.00 0.77 H new ATOM 133 N GLU A 12 5.885 -4.822 -9.230 1.00 0.40 N ATOM 134 CA GLU A 12 6.144 -5.536 -10.472 1.00 0.40 C ATOM 135 C GLU A 12 7.633 -5.537 -10.822 1.00 0.44 C ATOM 136 O GLU A 12 8.221 -6.590 -11.072 1.00 0.49 O ATOM 137 CB GLU A 12 5.337 -4.913 -11.616 1.00 0.40 C ATOM 138 CG GLU A 12 5.508 -5.644 -12.933 1.00 0.43 C ATOM 139 CD GLU A 12 4.738 -5.018 -14.076 1.00 0.47 C ATOM 140 OE1 GLU A 12 3.550 -5.356 -14.258 1.00 0.51 O ATOM 141 OE2 GLU A 12 5.325 -4.210 -14.822 1.00 0.59 O ATOM 0 H GLU A 12 5.284 -4.005 -9.333 1.00 0.40 H new ATOM 0 HA GLU A 12 5.833 -6.571 -10.331 1.00 0.40 H new ATOM 0 HB2 GLU A 12 4.281 -4.906 -11.346 1.00 0.40 H new ATOM 0 HB3 GLU A 12 5.640 -3.874 -11.742 1.00 0.40 H new ATOM 0 HG2 GLU A 12 6.567 -5.670 -13.190 1.00 0.43 H new ATOM 0 HG3 GLU A 12 5.184 -6.678 -12.810 1.00 0.43 H new ATOM 148 N ARG A 13 8.235 -4.358 -10.827 1.00 0.45 N ATOM 149 CA ARG A 13 9.615 -4.206 -11.273 1.00 0.52 C ATOM 150 C ARG A 13 10.627 -4.626 -10.208 1.00 0.58 C ATOM 151 O ARG A 13 11.598 -5.315 -10.510 1.00 0.62 O ATOM 152 CB ARG A 13 9.885 -2.760 -11.691 1.00 0.56 C ATOM 153 CG ARG A 13 9.022 -2.288 -12.849 1.00 0.54 C ATOM 154 CD ARG A 13 9.424 -0.898 -13.309 1.00 0.67 C ATOM 155 NE ARG A 13 8.580 -0.422 -14.403 1.00 1.25 N ATOM 156 CZ ARG A 13 9.027 0.294 -15.436 1.00 1.51 C ATOM 157 NH1 ARG A 13 10.317 0.601 -15.533 1.00 1.38 N ATOM 158 NH2 ARG A 13 8.180 0.698 -16.375 1.00 2.48 N ATOM 0 H ARG A 13 7.791 -3.490 -10.527 1.00 0.45 H new ATOM 0 HA ARG A 13 9.741 -4.870 -12.128 1.00 0.52 H new ATOM 0 HB2 ARG A 13 9.718 -2.106 -10.835 1.00 0.56 H new ATOM 0 HB3 ARG A 13 10.935 -2.661 -11.968 1.00 0.56 H new ATOM 0 HG2 ARG A 13 9.111 -2.988 -13.680 1.00 0.54 H new ATOM 0 HG3 ARG A 13 7.975 -2.284 -12.546 1.00 0.54 H new ATOM 0 HD2 ARG A 13 9.357 -0.205 -12.471 1.00 0.67 H new ATOM 0 HD3 ARG A 13 10.465 -0.909 -13.632 1.00 0.67 H new ATOM 0 HE ARG A 13 7.587 -0.652 -14.375 1.00 1.25 H new ATOM 0 HH11 ARG A 13 10.971 0.289 -14.815 1.00 1.38 H new ATOM 0 HH12 ARG A 13 10.653 1.149 -16.325 1.00 1.38 H new ATOM 0 HH21 ARG A 13 7.190 0.461 -16.305 1.00 2.48 H new ATOM 0 HH22 ARG A 13 8.519 1.246 -17.166 1.00 2.48 H new ATOM 172 N PHE A 14 10.400 -4.221 -8.968 1.00 0.60 N ATOM 173 CA PHE A 14 11.410 -4.386 -7.929 1.00 0.69 C ATOM 174 C PHE A 14 11.188 -5.641 -7.089 1.00 0.71 C ATOM 175 O PHE A 14 12.134 -6.369 -6.801 1.00 0.83 O ATOM 176 CB PHE A 14 11.445 -3.152 -7.022 1.00 0.72 C ATOM 177 CG PHE A 14 11.833 -1.885 -7.737 1.00 0.73 C ATOM 178 CD1 PHE A 14 13.165 -1.519 -7.846 1.00 0.87 C ATOM 179 CD2 PHE A 14 10.868 -1.065 -8.299 1.00 0.64 C ATOM 180 CE1 PHE A 14 13.527 -0.358 -8.502 1.00 0.91 C ATOM 181 CE2 PHE A 14 11.224 0.096 -8.957 1.00 0.67 C ATOM 182 CZ PHE A 14 12.555 0.450 -9.059 1.00 0.81 C ATOM 0 H PHE A 14 9.535 -3.780 -8.656 1.00 0.60 H new ATOM 0 HA PHE A 14 12.369 -4.500 -8.435 1.00 0.69 H new ATOM 0 HB2 PHE A 14 10.463 -3.017 -6.570 1.00 0.72 H new ATOM 0 HB3 PHE A 14 12.149 -3.330 -6.209 1.00 0.72 H new ATOM 0 HD1 PHE A 14 13.929 -2.148 -7.413 1.00 0.87 H new ATOM 0 HD2 PHE A 14 9.826 -1.337 -8.222 1.00 0.64 H new ATOM 0 HE1 PHE A 14 14.568 -0.083 -8.579 1.00 0.91 H new ATOM 0 HE2 PHE A 14 10.462 0.726 -9.391 1.00 0.67 H new ATOM 0 HZ PHE A 14 12.835 1.357 -9.573 1.00 0.81 H new ATOM 192 N SER A 15 9.949 -5.900 -6.697 1.00 0.63 N ATOM 193 CA SER A 15 9.671 -7.006 -5.790 1.00 0.67 C ATOM 194 C SER A 15 9.536 -8.324 -6.554 1.00 0.69 C ATOM 195 O SER A 15 10.043 -9.358 -6.116 1.00 0.78 O ATOM 196 CB SER A 15 8.393 -6.719 -4.996 1.00 0.65 C ATOM 197 OG SER A 15 8.141 -7.728 -4.032 1.00 1.36 O ATOM 0 H SER A 15 9.129 -5.368 -6.988 1.00 0.63 H new ATOM 0 HA SER A 15 10.509 -7.103 -5.099 1.00 0.67 H new ATOM 0 HB2 SER A 15 8.482 -5.753 -4.498 1.00 0.65 H new ATOM 0 HB3 SER A 15 7.547 -6.648 -5.680 1.00 0.65 H new ATOM 0 HG SER A 15 7.205 -8.012 -4.093 1.00 1.36 H new ATOM 203 N LEU A 16 8.865 -8.281 -7.696 1.00 0.63 N ATOM 204 CA LEU A 16 8.694 -9.469 -8.521 1.00 0.68 C ATOM 205 C LEU A 16 9.802 -9.585 -9.558 1.00 0.79 C ATOM 206 O LEU A 16 10.291 -10.683 -9.836 1.00 0.89 O ATOM 207 CB LEU A 16 7.333 -9.453 -9.221 1.00 0.62 C ATOM 208 CG LEU A 16 6.118 -9.560 -8.295 1.00 0.60 C ATOM 209 CD1 LEU A 16 4.835 -9.573 -9.110 1.00 1.24 C ATOM 210 CD2 LEU A 16 6.211 -10.809 -7.431 1.00 1.20 C ATOM 0 H LEU A 16 8.431 -7.438 -8.072 1.00 0.63 H new ATOM 0 HA LEU A 16 8.745 -10.335 -7.860 1.00 0.68 H new ATOM 0 HB2 LEU A 16 7.250 -8.531 -9.797 1.00 0.62 H new ATOM 0 HB3 LEU A 16 7.300 -10.277 -9.933 1.00 0.62 H new ATOM 0 HG LEU A 16 6.106 -8.690 -7.639 1.00 0.60 H new ATOM 0 HD11 LEU A 16 3.979 -9.649 -8.440 1.00 1.24 H new ATOM 0 HD12 LEU A 16 4.762 -8.652 -9.688 1.00 1.24 H new ATOM 0 HD13 LEU A 16 4.843 -10.427 -9.787 1.00 1.24 H new ATOM 0 HD21 LEU A 16 5.339 -10.867 -6.780 1.00 1.20 H new ATOM 0 HD22 LEU A 16 6.246 -11.691 -8.070 1.00 1.20 H new ATOM 0 HD23 LEU A 16 7.115 -10.765 -6.823 1.00 1.20 H new ATOM 222 N LYS A 17 10.184 -8.441 -10.122 1.00 0.83 N ATOM 223 CA LYS A 17 11.188 -8.378 -11.179 1.00 0.97 C ATOM 224 C LYS A 17 10.676 -9.090 -12.429 1.00 1.01 C ATOM 225 O LYS A 17 11.424 -9.763 -13.140 1.00 1.15 O ATOM 226 CB LYS A 17 12.514 -8.968 -10.697 1.00 1.10 C ATOM 227 CG LYS A 17 13.059 -8.248 -9.477 1.00 1.13 C ATOM 228 CD LYS A 17 14.248 -8.970 -8.886 1.00 1.17 C ATOM 229 CE LYS A 17 14.622 -8.394 -7.530 1.00 1.61 C ATOM 230 NZ LYS A 17 15.758 -9.122 -6.905 1.00 2.03 N ATOM 0 H LYS A 17 9.805 -7.532 -9.858 1.00 0.83 H new ATOM 0 HA LYS A 17 11.370 -7.335 -11.436 1.00 0.97 H new ATOM 0 HB2 LYS A 17 12.374 -10.023 -10.461 1.00 1.10 H new ATOM 0 HB3 LYS A 17 13.246 -8.916 -11.503 1.00 1.10 H new ATOM 0 HG2 LYS A 17 13.349 -7.234 -9.752 1.00 1.13 H new ATOM 0 HG3 LYS A 17 12.275 -8.162 -8.725 1.00 1.13 H new ATOM 0 HD2 LYS A 17 14.018 -10.031 -8.783 1.00 1.17 H new ATOM 0 HD3 LYS A 17 15.098 -8.892 -9.564 1.00 1.17 H new ATOM 0 HE2 LYS A 17 14.885 -7.342 -7.644 1.00 1.61 H new ATOM 0 HE3 LYS A 17 13.757 -8.436 -6.868 1.00 1.61 H new ATOM 0 HZ1 LYS A 17 15.978 -8.695 -5.983 1.00 2.03 H new ATOM 0 HZ2 LYS A 17 15.499 -10.120 -6.772 1.00 2.03 H new ATOM 0 HZ3 LYS A 17 16.592 -9.060 -7.523 1.00 2.03 H new ATOM 244 N ALA A 18 9.383 -8.917 -12.684 1.00 0.95 N ATOM 245 CA ALA A 18 8.708 -9.554 -13.807 1.00 1.03 C ATOM 246 C ALA A 18 7.473 -8.741 -14.198 1.00 1.02 C ATOM 247 O ALA A 18 7.527 -7.513 -14.226 1.00 1.34 O ATOM 248 CB ALA A 18 8.326 -10.984 -13.450 1.00 1.06 C ATOM 0 H ALA A 18 8.773 -8.329 -12.116 1.00 0.95 H new ATOM 0 HA ALA A 18 9.385 -9.588 -14.660 1.00 1.03 H new ATOM 0 HB1 ALA A 18 7.822 -11.449 -14.298 1.00 1.06 H new ATOM 0 HB2 ALA A 18 9.225 -11.551 -13.207 1.00 1.06 H new ATOM 0 HB3 ALA A 18 7.657 -10.978 -12.589 1.00 1.06 H new ATOM 254 N LYS A 19 6.372 -9.420 -14.507 1.00 0.80 N ATOM 255 CA LYS A 19 5.116 -8.752 -14.818 1.00 0.77 C ATOM 256 C LYS A 19 4.114 -8.983 -13.687 1.00 0.64 C ATOM 257 O LYS A 19 4.082 -10.061 -13.091 1.00 0.74 O ATOM 258 CB LYS A 19 4.566 -9.268 -16.154 1.00 0.93 C ATOM 259 CG LYS A 19 4.184 -10.744 -16.153 1.00 1.52 C ATOM 260 CD LYS A 19 3.948 -11.269 -17.563 1.00 1.71 C ATOM 261 CE LYS A 19 2.813 -10.544 -18.273 1.00 1.93 C ATOM 262 NZ LYS A 19 1.479 -10.886 -17.713 1.00 2.69 N ATOM 0 H LYS A 19 6.326 -10.438 -14.548 1.00 0.80 H new ATOM 0 HA LYS A 19 5.288 -7.680 -14.912 1.00 0.77 H new ATOM 0 HB2 LYS A 19 3.689 -8.679 -16.423 1.00 0.93 H new ATOM 0 HB3 LYS A 19 5.313 -9.100 -16.929 1.00 0.93 H new ATOM 0 HG2 LYS A 19 4.975 -11.324 -15.677 1.00 1.52 H new ATOM 0 HG3 LYS A 19 3.282 -10.886 -15.557 1.00 1.52 H new ATOM 0 HD2 LYS A 19 4.863 -11.162 -18.145 1.00 1.71 H new ATOM 0 HD3 LYS A 19 3.722 -12.334 -17.517 1.00 1.71 H new ATOM 0 HE2 LYS A 19 2.970 -9.468 -18.197 1.00 1.93 H new ATOM 0 HE3 LYS A 19 2.833 -10.795 -19.333 1.00 1.93 H new ATOM 0 HZ1 LYS A 19 0.741 -10.657 -18.409 1.00 2.69 H new ATOM 0 HZ2 LYS A 19 1.445 -11.902 -17.494 1.00 2.69 H new ATOM 0 HZ3 LYS A 19 1.317 -10.339 -16.844 1.00 2.69 H new ATOM 276 N ILE A 20 3.314 -7.976 -13.374 1.00 0.57 N ATOM 277 CA ILE A 20 2.381 -8.077 -12.265 1.00 0.52 C ATOM 278 C ILE A 20 0.979 -8.444 -12.760 1.00 0.54 C ATOM 279 O ILE A 20 0.468 -7.869 -13.728 1.00 0.64 O ATOM 280 CB ILE A 20 2.356 -6.766 -11.426 1.00 0.56 C ATOM 281 CG1 ILE A 20 2.537 -7.083 -9.942 1.00 0.46 C ATOM 282 CG2 ILE A 20 1.075 -5.970 -11.635 1.00 0.92 C ATOM 283 CD1 ILE A 20 1.450 -7.960 -9.365 1.00 0.72 C ATOM 0 H ILE A 20 3.292 -7.085 -13.869 1.00 0.57 H new ATOM 0 HA ILE A 20 2.726 -8.879 -11.612 1.00 0.52 H new ATOM 0 HB ILE A 20 3.185 -6.148 -11.772 1.00 0.56 H new ATOM 0 HG12 ILE A 20 3.500 -7.574 -9.801 1.00 0.46 H new ATOM 0 HG13 ILE A 20 2.571 -6.148 -9.383 1.00 0.46 H new ATOM 0 HG21 ILE A 20 1.106 -5.065 -11.028 1.00 0.92 H new ATOM 0 HG22 ILE A 20 0.983 -5.699 -12.687 1.00 0.92 H new ATOM 0 HG23 ILE A 20 0.218 -6.576 -11.340 1.00 0.92 H new ATOM 0 HD11 ILE A 20 1.650 -8.140 -8.309 1.00 0.72 H new ATOM 0 HD12 ILE A 20 0.486 -7.463 -9.473 1.00 0.72 H new ATOM 0 HD13 ILE A 20 1.429 -8.911 -9.897 1.00 0.72 H new ATOM 295 N ASN A 21 0.391 -9.438 -12.111 1.00 0.58 N ATOM 296 CA ASN A 21 -0.964 -9.880 -12.412 1.00 0.72 C ATOM 297 C ASN A 21 -1.615 -10.338 -11.115 1.00 0.78 C ATOM 298 O ASN A 21 -0.918 -10.741 -10.183 1.00 0.77 O ATOM 299 CB ASN A 21 -0.967 -11.058 -13.402 1.00 0.80 C ATOM 300 CG ASN A 21 0.016 -10.902 -14.551 1.00 1.21 C ATOM 301 OD1 ASN A 21 -0.319 -10.376 -15.609 1.00 1.78 O ATOM 302 ND2 ASN A 21 1.238 -11.373 -14.351 1.00 1.71 N ATOM 0 H ASN A 21 0.840 -9.962 -11.360 1.00 0.58 H new ATOM 0 HA ASN A 21 -1.508 -9.050 -12.864 1.00 0.72 H new ATOM 0 HB2 ASN A 21 -0.735 -11.975 -12.860 1.00 0.80 H new ATOM 0 HB3 ASN A 21 -1.971 -11.174 -13.810 1.00 0.80 H new ATOM 0 HD21 ASN A 21 1.938 -11.305 -15.090 1.00 1.71 H new ATOM 0 HD22 ASN A 21 1.479 -11.803 -13.458 1.00 1.71 H new ATOM 309 N ASN A 22 -2.940 -10.285 -11.051 1.00 0.97 N ATOM 310 CA ASN A 22 -3.660 -10.816 -9.893 1.00 1.09 C ATOM 311 C ASN A 22 -3.507 -12.334 -9.854 1.00 1.03 C ATOM 312 O ASN A 22 -3.674 -12.972 -8.818 1.00 1.07 O ATOM 313 CB ASN A 22 -5.144 -10.432 -9.952 1.00 1.41 C ATOM 314 CG ASN A 22 -5.907 -10.801 -8.689 1.00 1.73 C ATOM 315 OD1 ASN A 22 -5.360 -10.794 -7.586 1.00 2.31 O ATOM 316 ND2 ASN A 22 -7.184 -11.116 -8.842 1.00 2.35 N ATOM 0 H ASN A 22 -3.535 -9.885 -11.777 1.00 0.97 H new ATOM 0 HA ASN A 22 -3.237 -10.386 -8.985 1.00 1.09 H new ATOM 0 HB2 ASN A 22 -5.229 -9.358 -10.120 1.00 1.41 H new ATOM 0 HB3 ASN A 22 -5.607 -10.926 -10.806 1.00 1.41 H new ATOM 0 HD21 ASN A 22 -7.749 -11.364 -8.030 1.00 2.35 H new ATOM 0 HD22 ASN A 22 -7.603 -11.111 -9.772 1.00 2.35 H new ATOM 323 N THR A 23 -3.152 -12.900 -10.998 1.00 1.00 N ATOM 324 CA THR A 23 -2.946 -14.330 -11.118 1.00 1.05 C ATOM 325 C THR A 23 -1.474 -14.707 -10.930 1.00 1.02 C ATOM 326 O THR A 23 -1.055 -15.809 -11.280 1.00 1.21 O ATOM 327 CB THR A 23 -3.446 -14.827 -12.485 1.00 1.19 C ATOM 328 OG1 THR A 23 -3.080 -13.884 -13.505 1.00 1.51 O ATOM 329 CG2 THR A 23 -4.954 -15.009 -12.474 1.00 1.79 C ATOM 0 H THR A 23 -3.000 -12.382 -11.863 1.00 1.00 H new ATOM 0 HA THR A 23 -3.519 -14.813 -10.326 1.00 1.05 H new ATOM 0 HB THR A 23 -2.983 -15.791 -12.694 1.00 1.19 H new ATOM 0 HG1 THR A 23 -3.398 -14.203 -14.375 1.00 1.51 H new ATOM 0 HG21 THR A 23 -5.285 -15.361 -13.451 1.00 1.79 H new ATOM 0 HG22 THR A 23 -5.227 -15.740 -11.713 1.00 1.79 H new ATOM 0 HG23 THR A 23 -5.434 -14.056 -12.250 1.00 1.79 H new ATOM 337 N THR A 24 -0.684 -13.784 -10.383 1.00 0.87 N ATOM 338 CA THR A 24 0.719 -14.059 -10.083 1.00 0.91 C ATOM 339 C THR A 24 0.910 -14.268 -8.577 1.00 0.98 C ATOM 340 O THR A 24 2.006 -14.113 -8.035 1.00 1.91 O ATOM 341 CB THR A 24 1.615 -12.928 -10.592 1.00 0.88 C ATOM 342 OG1 THR A 24 1.229 -12.585 -11.924 1.00 1.37 O ATOM 343 CG2 THR A 24 3.089 -13.318 -10.590 1.00 1.74 C ATOM 0 H THR A 24 -0.991 -12.842 -10.139 1.00 0.87 H new ATOM 0 HA THR A 24 1.009 -14.975 -10.598 1.00 0.91 H new ATOM 0 HB THR A 24 1.490 -12.079 -9.919 1.00 0.88 H new ATOM 0 HG1 THR A 24 1.477 -13.311 -12.534 1.00 1.37 H new ATOM 0 HG21 THR A 24 3.686 -12.484 -10.959 1.00 1.74 H new ATOM 0 HG22 THR A 24 3.399 -13.565 -9.574 1.00 1.74 H new ATOM 0 HG23 THR A 24 3.237 -14.184 -11.235 1.00 1.74 H new ATOM 351 N ASN A 25 -0.186 -14.638 -7.914 1.00 0.72 N ATOM 352 CA ASN A 25 -0.190 -14.901 -6.475 1.00 0.79 C ATOM 353 C ASN A 25 0.342 -13.713 -5.702 1.00 0.73 C ATOM 354 O ASN A 25 1.231 -13.834 -4.857 1.00 0.72 O ATOM 355 CB ASN A 25 0.609 -16.168 -6.150 1.00 1.00 C ATOM 356 CG ASN A 25 0.007 -17.408 -6.784 1.00 1.96 C ATOM 357 OD1 ASN A 25 -0.836 -18.077 -6.187 1.00 2.69 O ATOM 358 ND2 ASN A 25 0.440 -17.733 -7.992 1.00 2.58 N ATOM 0 H ASN A 25 -1.095 -14.764 -8.359 1.00 0.72 H new ATOM 0 HA ASN A 25 -1.223 -15.064 -6.167 1.00 0.79 H new ATOM 0 HB2 ASN A 25 1.635 -16.047 -6.498 1.00 1.00 H new ATOM 0 HB3 ASN A 25 0.652 -16.300 -5.069 1.00 1.00 H new ATOM 0 HD21 ASN A 25 0.074 -18.563 -8.459 1.00 2.58 H new ATOM 0 HD22 ASN A 25 1.140 -17.154 -8.456 1.00 2.58 H new ATOM 365 N LEU A 26 -0.242 -12.567 -5.990 1.00 0.82 N ATOM 366 CA LEU A 26 0.163 -11.316 -5.387 1.00 0.88 C ATOM 367 C LEU A 26 -0.259 -11.259 -3.920 1.00 0.83 C ATOM 368 O LEU A 26 0.174 -10.383 -3.170 1.00 0.86 O ATOM 369 CB LEU A 26 -0.453 -10.168 -6.180 1.00 1.08 C ATOM 370 CG LEU A 26 -0.038 -8.764 -5.757 1.00 1.91 C ATOM 371 CD1 LEU A 26 1.466 -8.575 -5.884 1.00 2.89 C ATOM 372 CD2 LEU A 26 -0.783 -7.761 -6.605 1.00 2.33 C ATOM 0 H LEU A 26 -1.013 -12.478 -6.651 1.00 0.82 H new ATOM 0 HA LEU A 26 1.249 -11.231 -5.414 1.00 0.88 H new ATOM 0 HB2 LEU A 26 -0.196 -10.300 -7.231 1.00 1.08 H new ATOM 0 HB3 LEU A 26 -1.538 -10.242 -6.105 1.00 1.08 H new ATOM 0 HG LEU A 26 -0.292 -8.613 -4.708 1.00 1.91 H new ATOM 0 HD11 LEU A 26 1.733 -7.564 -5.575 1.00 2.89 H new ATOM 0 HD12 LEU A 26 1.978 -9.296 -5.247 1.00 2.89 H new ATOM 0 HD13 LEU A 26 1.766 -8.729 -6.921 1.00 2.89 H new ATOM 0 HD21 LEU A 26 -0.495 -6.751 -6.312 1.00 2.33 H new ATOM 0 HD22 LEU A 26 -0.537 -7.918 -7.655 1.00 2.33 H new ATOM 0 HD23 LEU A 26 -1.856 -7.888 -6.461 1.00 2.33 H new ATOM 384 N ASP A 27 -1.096 -12.205 -3.512 1.00 0.81 N ATOM 385 CA ASP A 27 -1.522 -12.296 -2.122 1.00 0.84 C ATOM 386 C ASP A 27 -0.368 -12.799 -1.258 1.00 0.70 C ATOM 387 O ASP A 27 -0.216 -12.394 -0.105 1.00 0.67 O ATOM 388 CB ASP A 27 -2.743 -13.216 -1.976 1.00 1.02 C ATOM 389 CG ASP A 27 -2.426 -14.673 -2.248 1.00 1.52 C ATOM 390 OD1 ASP A 27 -2.469 -15.080 -3.426 1.00 2.00 O ATOM 391 OD2 ASP A 27 -2.138 -15.417 -1.283 1.00 2.28 O ATOM 0 H ASP A 27 -1.492 -12.919 -4.123 1.00 0.81 H new ATOM 0 HA ASP A 27 -1.813 -11.301 -1.785 1.00 0.84 H new ATOM 0 HB2 ASP A 27 -3.144 -13.120 -0.967 1.00 1.02 H new ATOM 0 HB3 ASP A 27 -3.523 -12.886 -2.662 1.00 1.02 H new ATOM 396 N TYR A 28 0.461 -13.667 -1.826 1.00 0.69 N ATOM 397 CA TYR A 28 1.644 -14.147 -1.129 1.00 0.70 C ATOM 398 C TYR A 28 2.691 -13.046 -1.071 1.00 0.63 C ATOM 399 O TYR A 28 3.409 -12.908 -0.082 1.00 0.68 O ATOM 400 CB TYR A 28 2.210 -15.400 -1.803 1.00 0.81 C ATOM 401 CG TYR A 28 1.302 -16.604 -1.690 1.00 1.05 C ATOM 402 CD1 TYR A 28 1.089 -17.226 -0.468 1.00 1.16 C ATOM 403 CD2 TYR A 28 0.669 -17.125 -2.811 1.00 1.57 C ATOM 404 CE1 TYR A 28 0.270 -18.333 -0.364 1.00 1.61 C ATOM 405 CE2 TYR A 28 -0.154 -18.230 -2.717 1.00 2.15 C ATOM 406 CZ TYR A 28 -0.385 -18.802 -1.470 1.00 2.13 C ATOM 407 OH TYR A 28 -1.161 -19.940 -1.395 1.00 2.73 O ATOM 0 H TYR A 28 0.335 -14.050 -2.763 1.00 0.69 H new ATOM 0 HA TYR A 28 1.361 -14.419 -0.112 1.00 0.70 H new ATOM 0 HB2 TYR A 28 2.390 -15.187 -2.857 1.00 0.81 H new ATOM 0 HB3 TYR A 28 3.175 -15.639 -1.357 1.00 0.81 H new ATOM 0 HD1 TYR A 28 1.572 -16.838 0.417 1.00 1.16 H new ATOM 0 HD2 TYR A 28 0.823 -16.658 -3.773 1.00 1.57 H new ATOM 0 HE1 TYR A 28 0.147 -18.827 0.588 1.00 1.61 H new ATOM 0 HE2 TYR A 28 -0.613 -18.646 -3.602 1.00 2.15 H new ATOM 0 HH TYR A 28 -1.553 -20.127 -2.274 1.00 2.73 H new ATOM 417 N SER A 29 2.756 -12.253 -2.132 1.00 0.59 N ATOM 418 CA SER A 29 3.615 -11.082 -2.159 1.00 0.62 C ATOM 419 C SER A 29 3.176 -10.105 -1.088 1.00 0.51 C ATOM 420 O SER A 29 3.984 -9.562 -0.352 1.00 0.53 O ATOM 421 CB SER A 29 3.507 -10.386 -3.504 1.00 0.73 C ATOM 422 OG SER A 29 3.388 -11.330 -4.557 1.00 0.81 O ATOM 0 H SER A 29 2.221 -12.402 -2.987 1.00 0.59 H new ATOM 0 HA SER A 29 4.642 -11.403 -1.986 1.00 0.62 H new ATOM 0 HB2 SER A 29 2.642 -9.723 -3.506 1.00 0.73 H new ATOM 0 HB3 SER A 29 4.387 -9.763 -3.667 1.00 0.73 H new ATOM 0 HG SER A 29 3.478 -10.872 -5.419 1.00 0.81 H new ATOM 428 N ARG A 30 1.868 -9.900 -1.020 1.00 0.48 N ATOM 429 CA ARG A 30 1.268 -8.935 -0.117 1.00 0.45 C ATOM 430 C ARG A 30 1.631 -9.245 1.334 1.00 0.46 C ATOM 431 O ARG A 30 2.113 -8.376 2.051 1.00 0.56 O ATOM 432 CB ARG A 30 -0.250 -8.938 -0.306 1.00 0.52 C ATOM 433 CG ARG A 30 -0.958 -7.689 0.199 1.00 0.49 C ATOM 434 CD ARG A 30 -0.674 -6.467 -0.659 1.00 0.76 C ATOM 435 NE ARG A 30 0.695 -5.972 -0.529 1.00 1.55 N ATOM 436 CZ ARG A 30 1.477 -5.707 -1.572 1.00 2.24 C ATOM 437 NH1 ARG A 30 1.078 -6.033 -2.797 1.00 2.43 N ATOM 438 NH2 ARG A 30 2.663 -5.141 -1.392 1.00 3.24 N ATOM 0 H ARG A 30 1.192 -10.403 -1.594 1.00 0.48 H new ATOM 0 HA ARG A 30 1.657 -7.944 -0.350 1.00 0.45 H new ATOM 0 HB2 ARG A 30 -0.470 -9.060 -1.367 1.00 0.52 H new ATOM 0 HB3 ARG A 30 -0.664 -9.806 0.207 1.00 0.52 H new ATOM 0 HG2 ARG A 30 -2.033 -7.870 0.222 1.00 0.49 H new ATOM 0 HG3 ARG A 30 -0.646 -7.489 1.224 1.00 0.49 H new ATOM 0 HD2 ARG A 30 -0.866 -6.713 -1.703 1.00 0.76 H new ATOM 0 HD3 ARG A 30 -1.368 -5.672 -0.386 1.00 0.76 H new ATOM 0 HE ARG A 30 1.069 -5.822 0.408 1.00 1.55 H new ATOM 0 HH11 ARG A 30 0.174 -6.485 -2.936 1.00 2.43 H new ATOM 0 HH12 ARG A 30 1.675 -5.831 -3.599 1.00 2.43 H new ATOM 0 HH21 ARG A 30 2.979 -4.907 -0.451 1.00 3.24 H new ATOM 0 HH22 ARG A 30 3.259 -4.940 -2.195 1.00 3.24 H new ATOM 452 N ARG A 31 1.433 -10.492 1.748 1.00 0.45 N ATOM 453 CA ARG A 31 1.719 -10.896 3.126 1.00 0.47 C ATOM 454 C ARG A 31 3.228 -10.843 3.418 1.00 0.45 C ATOM 455 O ARG A 31 3.646 -10.627 4.557 1.00 0.50 O ATOM 456 CB ARG A 31 1.151 -12.298 3.394 1.00 0.53 C ATOM 457 CG ARG A 31 1.850 -13.409 2.626 1.00 1.14 C ATOM 458 CD ARG A 31 1.124 -14.737 2.771 1.00 1.21 C ATOM 459 NE ARG A 31 -0.062 -14.825 1.913 1.00 1.89 N ATOM 460 CZ ARG A 31 -1.200 -15.424 2.267 1.00 2.16 C ATOM 461 NH1 ARG A 31 -1.369 -15.869 3.509 1.00 1.87 N ATOM 462 NH2 ARG A 31 -2.175 -15.573 1.380 1.00 3.18 N ATOM 0 H ARG A 31 1.077 -11.241 1.154 1.00 0.45 H new ATOM 0 HA ARG A 31 1.232 -10.192 3.801 1.00 0.47 H new ATOM 0 HB2 ARG A 31 1.221 -12.509 4.461 1.00 0.53 H new ATOM 0 HB3 ARG A 31 0.092 -12.304 3.137 1.00 0.53 H new ATOM 0 HG2 ARG A 31 1.910 -13.140 1.571 1.00 1.14 H new ATOM 0 HG3 ARG A 31 2.873 -13.513 2.987 1.00 1.14 H new ATOM 0 HD2 ARG A 31 1.807 -15.550 2.525 1.00 1.21 H new ATOM 0 HD3 ARG A 31 0.827 -14.874 3.811 1.00 1.21 H new ATOM 0 HE ARG A 31 -0.014 -14.401 0.986 1.00 1.89 H new ATOM 0 HH11 ARG A 31 -0.626 -15.753 4.198 1.00 1.87 H new ATOM 0 HH12 ARG A 31 -2.242 -16.326 3.773 1.00 1.87 H new ATOM 0 HH21 ARG A 31 -2.055 -15.230 0.427 1.00 3.18 H new ATOM 0 HH22 ARG A 31 -3.045 -16.031 1.651 1.00 3.18 H new ATOM 476 N PHE A 32 4.032 -11.021 2.375 1.00 0.45 N ATOM 477 CA PHE A 32 5.491 -10.953 2.481 1.00 0.53 C ATOM 478 C PHE A 32 5.969 -9.497 2.424 1.00 0.53 C ATOM 479 O PHE A 32 7.031 -9.151 2.937 1.00 0.57 O ATOM 480 CB PHE A 32 6.107 -11.812 1.362 1.00 0.66 C ATOM 481 CG PHE A 32 7.397 -11.303 0.780 1.00 0.57 C ATOM 482 CD1 PHE A 32 8.601 -11.467 1.445 1.00 0.66 C ATOM 483 CD2 PHE A 32 7.398 -10.672 -0.452 1.00 0.88 C ATOM 484 CE1 PHE A 32 9.781 -11.012 0.890 1.00 0.93 C ATOM 485 CE2 PHE A 32 8.571 -10.212 -1.012 1.00 1.10 C ATOM 486 CZ PHE A 32 9.766 -10.380 -0.340 1.00 1.08 C ATOM 0 H PHE A 32 3.694 -11.216 1.432 1.00 0.45 H new ATOM 0 HA PHE A 32 5.818 -11.349 3.442 1.00 0.53 H new ATOM 0 HB2 PHE A 32 6.278 -12.815 1.752 1.00 0.66 H new ATOM 0 HB3 PHE A 32 5.378 -11.903 0.557 1.00 0.66 H new ATOM 0 HD1 PHE A 32 8.617 -11.956 2.408 1.00 0.66 H new ATOM 0 HD2 PHE A 32 6.467 -10.538 -0.982 1.00 0.88 H new ATOM 0 HE1 PHE A 32 10.714 -11.150 1.416 1.00 0.93 H new ATOM 0 HE2 PHE A 32 8.555 -9.721 -1.974 1.00 1.10 H new ATOM 0 HZ PHE A 32 10.687 -10.019 -0.774 1.00 1.08 H new ATOM 496 N LEU A 33 5.149 -8.651 1.823 1.00 0.51 N ATOM 497 CA LEU A 33 5.425 -7.226 1.704 1.00 0.53 C ATOM 498 C LEU A 33 5.017 -6.487 2.974 1.00 0.45 C ATOM 499 O LEU A 33 5.326 -5.311 3.144 1.00 0.44 O ATOM 500 CB LEU A 33 4.695 -6.642 0.488 1.00 0.60 C ATOM 501 CG LEU A 33 5.580 -6.272 -0.711 1.00 0.93 C ATOM 502 CD1 LEU A 33 6.589 -5.202 -0.326 1.00 0.92 C ATOM 503 CD2 LEU A 33 6.289 -7.498 -1.258 1.00 1.70 C ATOM 0 H LEU A 33 4.265 -8.935 1.400 1.00 0.51 H new ATOM 0 HA LEU A 33 6.498 -7.096 1.564 1.00 0.53 H new ATOM 0 HB2 LEU A 33 3.949 -7.364 0.155 1.00 0.60 H new ATOM 0 HB3 LEU A 33 4.156 -5.750 0.806 1.00 0.60 H new ATOM 0 HG LEU A 33 4.936 -5.872 -1.494 1.00 0.93 H new ATOM 0 HD11 LEU A 33 7.205 -4.955 -1.190 1.00 0.92 H new ATOM 0 HD12 LEU A 33 6.062 -4.309 0.011 1.00 0.92 H new ATOM 0 HD13 LEU A 33 7.224 -5.573 0.478 1.00 0.92 H new ATOM 0 HD21 LEU A 33 6.910 -7.211 -2.107 1.00 1.70 H new ATOM 0 HD22 LEU A 33 6.916 -7.933 -0.480 1.00 1.70 H new ATOM 0 HD23 LEU A 33 5.550 -8.232 -1.581 1.00 1.70 H new ATOM 515 N GLU A 34 4.316 -7.189 3.857 1.00 0.39 N ATOM 516 CA GLU A 34 3.797 -6.590 5.086 1.00 0.35 C ATOM 517 C GLU A 34 4.935 -6.005 5.944 1.00 0.35 C ATOM 518 O GLU A 34 4.849 -4.850 6.355 1.00 0.30 O ATOM 519 CB GLU A 34 2.968 -7.619 5.874 1.00 0.39 C ATOM 520 CG GLU A 34 2.258 -7.060 7.104 1.00 0.43 C ATOM 521 CD GLU A 34 3.141 -7.012 8.335 1.00 0.78 C ATOM 522 OE1 GLU A 34 3.761 -8.044 8.663 1.00 1.17 O ATOM 523 OE2 GLU A 34 3.217 -5.946 8.982 1.00 1.26 O ATOM 0 H GLU A 34 4.092 -8.178 3.746 1.00 0.39 H new ATOM 0 HA GLU A 34 3.140 -5.763 4.815 1.00 0.35 H new ATOM 0 HB2 GLU A 34 2.223 -8.052 5.207 1.00 0.39 H new ATOM 0 HB3 GLU A 34 3.625 -8.430 6.188 1.00 0.39 H new ATOM 0 HG2 GLU A 34 1.900 -6.055 6.883 1.00 0.43 H new ATOM 0 HG3 GLU A 34 1.381 -7.671 7.318 1.00 0.43 H new ATOM 530 N PRO A 35 6.021 -6.773 6.219 1.00 0.43 N ATOM 531 CA PRO A 35 7.178 -6.257 6.971 1.00 0.48 C ATOM 532 C PRO A 35 7.822 -5.047 6.298 1.00 0.45 C ATOM 533 O PRO A 35 8.413 -4.196 6.963 1.00 0.47 O ATOM 534 CB PRO A 35 8.161 -7.430 6.991 1.00 0.63 C ATOM 535 CG PRO A 35 7.333 -8.638 6.731 1.00 0.79 C ATOM 536 CD PRO A 35 6.207 -8.189 5.851 1.00 0.50 C ATOM 0 HA PRO A 35 6.883 -5.914 7.963 1.00 0.48 H new ATOM 0 HB2 PRO A 35 8.932 -7.310 6.230 1.00 0.63 H new ATOM 0 HB3 PRO A 35 8.670 -7.501 7.952 1.00 0.63 H new ATOM 0 HG2 PRO A 35 7.921 -9.416 6.245 1.00 0.79 H new ATOM 0 HG3 PRO A 35 6.955 -9.059 7.663 1.00 0.79 H new ATOM 0 HD2 PRO A 35 6.455 -8.299 4.795 1.00 0.50 H new ATOM 0 HD3 PRO A 35 5.303 -8.771 6.029 1.00 0.50 H new ATOM 544 N PHE A 36 7.691 -4.973 4.978 1.00 0.44 N ATOM 545 CA PHE A 36 8.230 -3.851 4.218 1.00 0.49 C ATOM 546 C PHE A 36 7.364 -2.619 4.414 1.00 0.39 C ATOM 547 O PHE A 36 7.862 -1.504 4.547 1.00 0.43 O ATOM 548 CB PHE A 36 8.301 -4.171 2.719 1.00 0.62 C ATOM 549 CG PHE A 36 9.432 -5.075 2.312 1.00 0.66 C ATOM 550 CD1 PHE A 36 10.741 -4.626 2.355 1.00 0.79 C ATOM 551 CD2 PHE A 36 9.182 -6.362 1.862 1.00 1.36 C ATOM 552 CE1 PHE A 36 11.781 -5.444 1.962 1.00 1.21 C ATOM 553 CE2 PHE A 36 10.220 -7.184 1.463 1.00 2.02 C ATOM 554 CZ PHE A 36 11.521 -6.725 1.513 1.00 1.87 C ATOM 0 H PHE A 36 7.216 -5.676 4.412 1.00 0.44 H new ATOM 0 HA PHE A 36 9.238 -3.663 4.587 1.00 0.49 H new ATOM 0 HB2 PHE A 36 7.361 -4.633 2.417 1.00 0.62 H new ATOM 0 HB3 PHE A 36 8.388 -3.235 2.167 1.00 0.62 H new ATOM 0 HD1 PHE A 36 10.951 -3.624 2.700 1.00 0.79 H new ATOM 0 HD2 PHE A 36 8.166 -6.727 1.823 1.00 1.36 H new ATOM 0 HE1 PHE A 36 12.798 -5.083 2.005 1.00 1.21 H new ATOM 0 HE2 PHE A 36 10.013 -8.184 1.113 1.00 2.02 H new ATOM 0 HZ PHE A 36 12.333 -7.365 1.202 1.00 1.87 H new ATOM 564 N LEU A 37 6.063 -2.840 4.438 1.00 0.30 N ATOM 565 CA LEU A 37 5.096 -1.756 4.477 1.00 0.29 C ATOM 566 C LEU A 37 4.871 -1.258 5.898 1.00 0.24 C ATOM 567 O LEU A 37 4.490 -0.110 6.103 1.00 0.27 O ATOM 568 CB LEU A 37 3.776 -2.219 3.855 1.00 0.31 C ATOM 569 CG LEU A 37 3.670 -2.094 2.325 1.00 0.57 C ATOM 570 CD1 LEU A 37 5.003 -2.366 1.639 1.00 0.90 C ATOM 571 CD2 LEU A 37 2.618 -3.056 1.804 1.00 1.18 C ATOM 0 H LEU A 37 5.647 -3.771 4.431 1.00 0.30 H new ATOM 0 HA LEU A 37 5.494 -0.922 3.899 1.00 0.29 H new ATOM 0 HB2 LEU A 37 3.616 -3.263 4.126 1.00 0.31 H new ATOM 0 HB3 LEU A 37 2.965 -1.645 4.303 1.00 0.31 H new ATOM 0 HG LEU A 37 3.382 -1.068 2.094 1.00 0.57 H new ATOM 0 HD11 LEU A 37 4.884 -2.267 0.560 1.00 0.90 H new ATOM 0 HD12 LEU A 37 5.745 -1.649 1.989 1.00 0.90 H new ATOM 0 HD13 LEU A 37 5.335 -3.377 1.876 1.00 0.90 H new ATOM 0 HD21 LEU A 37 2.546 -2.964 0.720 1.00 1.18 H new ATOM 0 HD22 LEU A 37 2.898 -4.077 2.064 1.00 1.18 H new ATOM 0 HD23 LEU A 37 1.654 -2.819 2.253 1.00 1.18 H new ATOM 583 N ARG A 38 5.088 -2.131 6.870 1.00 0.24 N ATOM 584 CA ARG A 38 4.949 -1.776 8.277 1.00 0.31 C ATOM 585 C ARG A 38 5.826 -0.572 8.635 1.00 0.30 C ATOM 586 O ARG A 38 7.034 -0.711 8.847 1.00 0.41 O ATOM 587 CB ARG A 38 5.332 -2.979 9.142 1.00 0.44 C ATOM 588 CG ARG A 38 4.864 -2.882 10.583 1.00 0.82 C ATOM 589 CD ARG A 38 5.408 -4.031 11.413 1.00 1.06 C ATOM 590 NE ARG A 38 5.185 -5.332 10.784 1.00 2.16 N ATOM 591 CZ ARG A 38 5.932 -6.406 11.026 1.00 2.73 C ATOM 592 NH1 ARG A 38 6.931 -6.337 11.898 1.00 2.36 N ATOM 593 NH2 ARG A 38 5.671 -7.545 10.403 1.00 3.90 N ATOM 0 H ARG A 38 5.364 -3.100 6.709 1.00 0.24 H new ATOM 0 HA ARG A 38 3.911 -1.501 8.465 1.00 0.31 H new ATOM 0 HB2 ARG A 38 4.914 -3.881 8.696 1.00 0.44 H new ATOM 0 HB3 ARG A 38 6.416 -3.091 9.130 1.00 0.44 H new ATOM 0 HG2 ARG A 38 5.190 -1.934 11.011 1.00 0.82 H new ATOM 0 HG3 ARG A 38 3.775 -2.889 10.616 1.00 0.82 H new ATOM 0 HD2 ARG A 38 6.477 -3.886 11.571 1.00 1.06 H new ATOM 0 HD3 ARG A 38 4.936 -4.020 12.395 1.00 1.06 H new ATOM 0 HE ARG A 38 4.414 -5.421 10.123 1.00 2.16 H new ATOM 0 HH11 ARG A 38 7.126 -5.461 12.382 1.00 2.36 H new ATOM 0 HH12 ARG A 38 7.504 -7.160 12.084 1.00 2.36 H new ATOM 0 HH21 ARG A 38 4.899 -7.598 9.739 1.00 3.90 H new ATOM 0 HH22 ARG A 38 6.242 -8.370 10.587 1.00 3.90 H new ATOM 607 N GLY A 39 5.211 0.605 8.687 1.00 0.28 N ATOM 608 CA GLY A 39 5.922 1.816 9.050 1.00 0.31 C ATOM 609 C GLY A 39 6.411 2.596 7.846 1.00 0.28 C ATOM 610 O GLY A 39 7.529 3.114 7.847 1.00 0.35 O ATOM 0 H GLY A 39 4.221 0.741 8.481 1.00 0.28 H new ATOM 0 HA2 GLY A 39 5.267 2.451 9.646 1.00 0.31 H new ATOM 0 HA3 GLY A 39 6.774 1.557 9.679 1.00 0.31 H new ATOM 614 N ILE A 40 5.574 2.689 6.822 1.00 0.24 N ATOM 615 CA ILE A 40 5.900 3.497 5.640 1.00 0.22 C ATOM 616 C ILE A 40 4.815 4.534 5.415 1.00 0.21 C ATOM 617 O ILE A 40 3.830 4.573 6.148 1.00 0.21 O ATOM 618 CB ILE A 40 6.057 2.665 4.340 1.00 0.21 C ATOM 619 CG1 ILE A 40 4.729 2.006 3.950 1.00 0.18 C ATOM 620 CG2 ILE A 40 7.160 1.626 4.492 1.00 0.21 C ATOM 621 CD1 ILE A 40 4.759 1.308 2.607 1.00 0.19 C ATOM 0 H ILE A 40 4.669 2.221 6.779 1.00 0.24 H new ATOM 0 HA ILE A 40 6.863 3.962 5.849 1.00 0.22 H new ATOM 0 HB ILE A 40 6.343 3.343 3.536 1.00 0.21 H new ATOM 0 HG12 ILE A 40 4.455 1.283 4.718 1.00 0.18 H new ATOM 0 HG13 ILE A 40 3.948 2.767 3.935 1.00 0.18 H new ATOM 0 HG21 ILE A 40 7.252 1.055 3.568 1.00 0.21 H new ATOM 0 HG22 ILE A 40 8.105 2.127 4.704 1.00 0.21 H new ATOM 0 HG23 ILE A 40 6.914 0.952 5.312 1.00 0.21 H new ATOM 0 HD11 ILE A 40 3.783 0.868 2.404 1.00 0.19 H new ATOM 0 HD12 ILE A 40 5.001 2.030 1.827 1.00 0.19 H new ATOM 0 HD13 ILE A 40 5.515 0.523 2.622 1.00 0.19 H new ATOM 633 N ASN A 41 5.003 5.393 4.430 1.00 0.21 N ATOM 634 CA ASN A 41 3.944 6.291 4.004 1.00 0.20 C ATOM 635 C ASN A 41 3.768 6.205 2.494 1.00 0.16 C ATOM 636 O ASN A 41 4.741 6.172 1.737 1.00 0.18 O ATOM 637 CB ASN A 41 4.191 7.745 4.450 1.00 0.29 C ATOM 638 CG ASN A 41 5.464 8.359 3.897 1.00 0.99 C ATOM 639 OD1 ASN A 41 6.472 7.683 3.709 1.00 2.00 O ATOM 640 ND2 ASN A 41 5.424 9.660 3.646 1.00 1.23 N ATOM 0 H ASN A 41 5.876 5.488 3.911 1.00 0.21 H new ATOM 0 HA ASN A 41 3.023 5.971 4.491 1.00 0.20 H new ATOM 0 HB2 ASN A 41 3.343 8.356 4.142 1.00 0.29 H new ATOM 0 HB3 ASN A 41 4.229 7.778 5.539 1.00 0.29 H new ATOM 0 HD21 ASN A 41 6.250 10.135 3.283 1.00 1.23 H new ATOM 0 HD22 ASN A 41 4.567 10.186 3.816 1.00 1.23 H new ATOM 647 N VAL A 42 2.519 6.153 2.065 1.00 0.13 N ATOM 648 CA VAL A 42 2.191 5.988 0.657 1.00 0.14 C ATOM 649 C VAL A 42 1.179 7.034 0.223 1.00 0.15 C ATOM 650 O VAL A 42 0.348 7.476 1.015 1.00 0.18 O ATOM 651 CB VAL A 42 1.620 4.583 0.357 1.00 0.16 C ATOM 652 CG1 VAL A 42 2.687 3.519 0.539 1.00 0.17 C ATOM 653 CG2 VAL A 42 0.415 4.289 1.238 1.00 0.19 C ATOM 0 H VAL A 42 1.707 6.223 2.678 1.00 0.13 H new ATOM 0 HA VAL A 42 3.119 6.110 0.098 1.00 0.14 H new ATOM 0 HB VAL A 42 1.294 4.566 -0.683 1.00 0.16 H new ATOM 0 HG11 VAL A 42 2.263 2.538 0.323 1.00 0.17 H new ATOM 0 HG12 VAL A 42 3.516 3.714 -0.142 1.00 0.17 H new ATOM 0 HG13 VAL A 42 3.049 3.539 1.567 1.00 0.17 H new ATOM 0 HG21 VAL A 42 0.031 3.295 1.009 1.00 0.19 H new ATOM 0 HG22 VAL A 42 0.712 4.331 2.286 1.00 0.19 H new ATOM 0 HG23 VAL A 42 -0.362 5.030 1.051 1.00 0.19 H new ATOM 663 N VAL A 43 1.260 7.427 -1.030 1.00 0.18 N ATOM 664 CA VAL A 43 0.327 8.375 -1.597 1.00 0.22 C ATOM 665 C VAL A 43 -0.863 7.625 -2.174 1.00 0.20 C ATOM 666 O VAL A 43 -0.755 6.981 -3.218 1.00 0.20 O ATOM 667 CB VAL A 43 0.986 9.217 -2.713 1.00 0.28 C ATOM 668 CG1 VAL A 43 0.052 10.318 -3.189 1.00 0.88 C ATOM 669 CG2 VAL A 43 2.308 9.802 -2.240 1.00 0.75 C ATOM 0 H VAL A 43 1.972 7.099 -1.682 1.00 0.18 H new ATOM 0 HA VAL A 43 0.004 9.050 -0.804 1.00 0.22 H new ATOM 0 HB VAL A 43 1.187 8.556 -3.556 1.00 0.28 H new ATOM 0 HG11 VAL A 43 0.540 10.895 -3.974 1.00 0.88 H new ATOM 0 HG12 VAL A 43 -0.863 9.874 -3.581 1.00 0.88 H new ATOM 0 HG13 VAL A 43 -0.192 10.975 -2.354 1.00 0.88 H new ATOM 0 HG21 VAL A 43 2.753 10.390 -3.042 1.00 0.75 H new ATOM 0 HG22 VAL A 43 2.134 10.441 -1.374 1.00 0.75 H new ATOM 0 HG23 VAL A 43 2.985 8.994 -1.964 1.00 0.75 H new ATOM 679 N TYR A 44 -1.989 7.701 -1.491 1.00 0.21 N ATOM 680 CA TYR A 44 -3.186 7.013 -1.933 1.00 0.22 C ATOM 681 C TYR A 44 -3.972 7.906 -2.871 1.00 0.22 C ATOM 682 O TYR A 44 -4.401 8.997 -2.492 1.00 0.24 O ATOM 683 CB TYR A 44 -4.056 6.608 -0.740 1.00 0.27 C ATOM 684 CG TYR A 44 -5.434 6.116 -1.136 1.00 0.32 C ATOM 685 CD1 TYR A 44 -5.599 4.913 -1.811 1.00 0.39 C ATOM 686 CD2 TYR A 44 -6.568 6.866 -0.844 1.00 0.42 C ATOM 687 CE1 TYR A 44 -6.856 4.471 -2.181 1.00 0.47 C ATOM 688 CE2 TYR A 44 -7.827 6.429 -1.213 1.00 0.50 C ATOM 689 CZ TYR A 44 -7.964 5.232 -1.880 1.00 0.50 C ATOM 690 OH TYR A 44 -9.215 4.798 -2.251 1.00 0.59 O ATOM 0 H TYR A 44 -2.100 8.233 -0.628 1.00 0.21 H new ATOM 0 HA TYR A 44 -2.890 6.106 -2.460 1.00 0.22 H new ATOM 0 HB2 TYR A 44 -3.547 5.825 -0.178 1.00 0.27 H new ATOM 0 HB3 TYR A 44 -4.162 7.462 -0.071 1.00 0.27 H new ATOM 0 HD1 TYR A 44 -4.733 4.314 -2.050 1.00 0.39 H new ATOM 0 HD2 TYR A 44 -6.464 7.805 -0.321 1.00 0.42 H new ATOM 0 HE1 TYR A 44 -6.969 3.533 -2.704 1.00 0.47 H new ATOM 0 HE2 TYR A 44 -8.698 7.023 -0.979 1.00 0.50 H new ATOM 0 HH TYR A 44 -9.236 3.818 -2.248 1.00 0.59 H new ATOM 700 N THR A 45 -4.140 7.447 -4.099 1.00 0.24 N ATOM 701 CA THR A 45 -4.872 8.197 -5.095 1.00 0.28 C ATOM 702 C THR A 45 -6.288 7.647 -5.222 1.00 0.28 C ATOM 703 O THR A 45 -6.499 6.563 -5.766 1.00 0.30 O ATOM 704 CB THR A 45 -4.161 8.129 -6.458 1.00 0.36 C ATOM 705 OG1 THR A 45 -2.766 8.414 -6.283 1.00 1.08 O ATOM 706 CG2 THR A 45 -4.764 9.125 -7.436 1.00 1.10 C ATOM 0 H THR A 45 -3.776 6.553 -4.428 1.00 0.24 H new ATOM 0 HA THR A 45 -4.916 9.239 -4.779 1.00 0.28 H new ATOM 0 HB THR A 45 -4.288 7.126 -6.865 1.00 0.36 H new ATOM 0 HG1 THR A 45 -2.312 8.369 -7.150 1.00 1.08 H new ATOM 0 HG21 THR A 45 -4.244 9.057 -8.392 1.00 1.10 H new ATOM 0 HG22 THR A 45 -5.820 8.899 -7.581 1.00 1.10 H new ATOM 0 HG23 THR A 45 -4.661 10.134 -7.038 1.00 1.10 H new ATOM 714 N PRO A 46 -7.275 8.383 -4.699 1.00 0.31 N ATOM 715 CA PRO A 46 -8.666 7.959 -4.718 1.00 0.35 C ATOM 716 C PRO A 46 -9.327 8.214 -6.067 1.00 0.38 C ATOM 717 O PRO A 46 -9.142 9.276 -6.675 1.00 0.38 O ATOM 718 CB PRO A 46 -9.306 8.821 -3.633 1.00 0.40 C ATOM 719 CG PRO A 46 -8.495 10.069 -3.606 1.00 0.47 C ATOM 720 CD PRO A 46 -7.105 9.695 -4.049 1.00 0.37 C ATOM 0 HA PRO A 46 -8.774 6.888 -4.549 1.00 0.35 H new ATOM 0 HB2 PRO A 46 -10.350 9.033 -3.862 1.00 0.40 H new ATOM 0 HB3 PRO A 46 -9.288 8.317 -2.667 1.00 0.40 H new ATOM 0 HG2 PRO A 46 -8.922 10.822 -4.268 1.00 0.47 H new ATOM 0 HG3 PRO A 46 -8.479 10.498 -2.604 1.00 0.47 H new ATOM 0 HD2 PRO A 46 -6.695 10.432 -4.740 1.00 0.37 H new ATOM 0 HD3 PRO A 46 -6.420 9.635 -3.203 1.00 0.37 H new ATOM 728 N PRO A 47 -10.068 7.217 -6.568 1.00 0.45 N ATOM 729 CA PRO A 47 -10.877 7.357 -7.779 1.00 0.56 C ATOM 730 C PRO A 47 -11.862 8.518 -7.674 1.00 0.59 C ATOM 731 O PRO A 47 -12.288 8.905 -6.580 1.00 0.56 O ATOM 732 CB PRO A 47 -11.628 6.024 -7.866 1.00 0.62 C ATOM 733 CG PRO A 47 -10.779 5.062 -7.112 1.00 0.55 C ATOM 734 CD PRO A 47 -10.147 5.858 -6.005 1.00 0.49 C ATOM 0 HA PRO A 47 -10.268 7.571 -8.657 1.00 0.56 H new ATOM 0 HB2 PRO A 47 -12.623 6.101 -7.428 1.00 0.62 H new ATOM 0 HB3 PRO A 47 -11.758 5.710 -8.902 1.00 0.62 H new ATOM 0 HG2 PRO A 47 -11.376 4.242 -6.713 1.00 0.55 H new ATOM 0 HG3 PRO A 47 -10.021 4.619 -7.758 1.00 0.55 H new ATOM 0 HD2 PRO A 47 -10.749 5.833 -5.097 1.00 0.49 H new ATOM 0 HD3 PRO A 47 -9.161 5.473 -5.744 1.00 0.49 H new ATOM 742 N GLN A 48 -12.216 9.051 -8.842 1.00 0.70 N ATOM 743 CA GLN A 48 -13.046 10.251 -8.972 1.00 0.79 C ATOM 744 C GLN A 48 -14.355 10.144 -8.191 1.00 0.77 C ATOM 745 O GLN A 48 -14.916 11.155 -7.770 1.00 0.83 O ATOM 746 CB GLN A 48 -13.348 10.498 -10.452 1.00 0.96 C ATOM 747 CG GLN A 48 -14.113 9.358 -11.109 1.00 1.50 C ATOM 748 CD GLN A 48 -14.341 9.572 -12.589 1.00 1.79 C ATOM 749 OE1 GLN A 48 -13.542 9.146 -13.422 1.00 2.22 O ATOM 750 NE2 GLN A 48 -15.438 10.228 -12.927 1.00 2.18 N ATOM 0 H GLN A 48 -11.931 8.657 -9.739 1.00 0.70 H new ATOM 0 HA GLN A 48 -12.487 11.086 -8.551 1.00 0.79 H new ATOM 0 HB2 GLN A 48 -13.925 11.417 -10.549 1.00 0.96 H new ATOM 0 HB3 GLN A 48 -12.410 10.652 -10.986 1.00 0.96 H new ATOM 0 HG2 GLN A 48 -13.564 8.428 -10.963 1.00 1.50 H new ATOM 0 HG3 GLN A 48 -15.076 9.241 -10.612 1.00 1.50 H new ATOM 0 HE21 GLN A 48 -16.074 10.564 -12.204 1.00 2.18 H new ATOM 0 HE22 GLN A 48 -15.648 10.398 -13.911 1.00 2.18 H new ATOM 759 N SER A 49 -14.821 8.919 -7.998 1.00 0.72 N ATOM 760 CA SER A 49 -16.083 8.656 -7.326 1.00 0.74 C ATOM 761 C SER A 49 -16.000 8.941 -5.828 1.00 0.71 C ATOM 762 O SER A 49 -17.000 9.283 -5.191 1.00 0.78 O ATOM 763 CB SER A 49 -16.464 7.202 -7.564 1.00 0.77 C ATOM 764 OG SER A 49 -15.328 6.365 -7.411 1.00 1.75 O ATOM 0 H SER A 49 -14.332 8.078 -8.304 1.00 0.72 H new ATOM 0 HA SER A 49 -16.843 9.321 -7.736 1.00 0.74 H new ATOM 0 HB2 SER A 49 -17.242 6.903 -6.862 1.00 0.77 H new ATOM 0 HB3 SER A 49 -16.877 7.086 -8.566 1.00 0.77 H new ATOM 0 HG SER A 49 -15.613 5.427 -7.391 1.00 1.75 H new ATOM 770 N PHE A 50 -14.805 8.793 -5.264 1.00 0.65 N ATOM 771 CA PHE A 50 -14.604 9.032 -3.843 1.00 0.64 C ATOM 772 C PHE A 50 -14.665 10.519 -3.538 1.00 0.71 C ATOM 773 O PHE A 50 -15.072 10.925 -2.449 1.00 0.77 O ATOM 774 CB PHE A 50 -13.269 8.452 -3.368 1.00 0.57 C ATOM 775 CG PHE A 50 -13.279 6.957 -3.212 1.00 0.53 C ATOM 776 CD1 PHE A 50 -13.092 6.136 -4.310 1.00 0.60 C ATOM 777 CD2 PHE A 50 -13.479 6.375 -1.971 1.00 0.59 C ATOM 778 CE1 PHE A 50 -13.102 4.761 -4.176 1.00 0.68 C ATOM 779 CE2 PHE A 50 -13.490 5.000 -1.831 1.00 0.66 C ATOM 780 CZ PHE A 50 -13.297 4.195 -2.909 1.00 0.68 C ATOM 0 H PHE A 50 -13.965 8.510 -5.769 1.00 0.65 H new ATOM 0 HA PHE A 50 -15.406 8.528 -3.304 1.00 0.64 H new ATOM 0 HB2 PHE A 50 -12.490 8.729 -4.078 1.00 0.57 H new ATOM 0 HB3 PHE A 50 -13.005 8.906 -2.413 1.00 0.57 H new ATOM 0 HD1 PHE A 50 -12.936 6.576 -5.284 1.00 0.60 H new ATOM 0 HD2 PHE A 50 -13.628 7.002 -1.104 1.00 0.59 H new ATOM 0 HE1 PHE A 50 -12.961 4.128 -5.040 1.00 0.68 H new ATOM 0 HE2 PHE A 50 -13.653 4.562 -0.857 1.00 0.66 H new ATOM 0 HZ PHE A 50 -13.294 3.122 -2.789 1.00 0.68 H new ATOM 790 N GLN A 51 -14.244 11.325 -4.517 1.00 0.72 N ATOM 791 CA GLN A 51 -14.311 12.780 -4.420 1.00 0.79 C ATOM 792 C GLN A 51 -13.397 13.280 -3.310 1.00 0.66 C ATOM 793 O GLN A 51 -13.762 14.146 -2.517 1.00 0.83 O ATOM 794 CB GLN A 51 -15.754 13.241 -4.196 1.00 1.07 C ATOM 795 CG GLN A 51 -16.695 12.830 -5.316 1.00 1.23 C ATOM 796 CD GLN A 51 -18.140 13.152 -5.008 1.00 1.98 C ATOM 797 OE1 GLN A 51 -18.627 14.238 -5.323 1.00 2.73 O ATOM 798 NE2 GLN A 51 -18.840 12.204 -4.409 1.00 2.45 N ATOM 0 H GLN A 51 -13.849 10.986 -5.394 1.00 0.72 H new ATOM 0 HA GLN A 51 -13.966 13.207 -5.362 1.00 0.79 H new ATOM 0 HB2 GLN A 51 -16.118 12.829 -3.255 1.00 1.07 H new ATOM 0 HB3 GLN A 51 -15.770 14.326 -4.096 1.00 1.07 H new ATOM 0 HG2 GLN A 51 -16.402 13.336 -6.236 1.00 1.23 H new ATOM 0 HG3 GLN A 51 -16.595 11.759 -5.495 1.00 1.23 H new ATOM 0 HE21 GLN A 51 -18.396 11.319 -4.166 1.00 2.45 H new ATOM 0 HE22 GLN A 51 -19.824 12.358 -4.190 1.00 2.45 H new ATOM 807 N SER A 52 -12.206 12.710 -3.261 1.00 0.53 N ATOM 808 CA SER A 52 -11.212 13.072 -2.269 1.00 0.50 C ATOM 809 C SER A 52 -9.888 13.383 -2.958 1.00 0.42 C ATOM 810 O SER A 52 -9.717 13.086 -4.144 1.00 0.44 O ATOM 811 CB SER A 52 -11.049 11.925 -1.267 1.00 0.55 C ATOM 812 OG SER A 52 -12.305 11.556 -0.716 1.00 1.21 O ATOM 0 H SER A 52 -11.902 11.983 -3.909 1.00 0.53 H new ATOM 0 HA SER A 52 -11.536 13.962 -1.729 1.00 0.50 H new ATOM 0 HB2 SER A 52 -10.597 11.065 -1.762 1.00 0.55 H new ATOM 0 HB3 SER A 52 -10.371 12.227 -0.469 1.00 0.55 H new ATOM 0 HG SER A 52 -12.180 10.821 -0.080 1.00 1.21 H new ATOM 818 N ALA A 53 -8.974 14.005 -2.233 1.00 0.48 N ATOM 819 CA ALA A 53 -7.663 14.334 -2.768 1.00 0.52 C ATOM 820 C ALA A 53 -6.643 13.288 -2.333 1.00 0.41 C ATOM 821 O ALA A 53 -6.724 12.770 -1.222 1.00 0.44 O ATOM 822 CB ALA A 53 -7.245 15.722 -2.305 1.00 0.73 C ATOM 0 H ALA A 53 -9.117 14.294 -1.265 1.00 0.48 H new ATOM 0 HA ALA A 53 -7.711 14.334 -3.857 1.00 0.52 H new ATOM 0 HB1 ALA A 53 -6.262 15.960 -2.711 1.00 0.73 H new ATOM 0 HB2 ALA A 53 -7.970 16.456 -2.656 1.00 0.73 H new ATOM 0 HB3 ALA A 53 -7.204 15.745 -1.216 1.00 0.73 H new ATOM 828 N PRO A 54 -5.699 12.934 -3.225 1.00 0.39 N ATOM 829 CA PRO A 54 -4.643 11.958 -2.927 1.00 0.32 C ATOM 830 C PRO A 54 -3.882 12.305 -1.651 1.00 0.29 C ATOM 831 O PRO A 54 -3.208 13.332 -1.579 1.00 0.36 O ATOM 832 CB PRO A 54 -3.719 12.049 -4.143 1.00 0.39 C ATOM 833 CG PRO A 54 -4.592 12.540 -5.244 1.00 0.52 C ATOM 834 CD PRO A 54 -5.591 13.457 -4.600 1.00 0.52 C ATOM 0 HA PRO A 54 -5.046 10.959 -2.758 1.00 0.32 H new ATOM 0 HB2 PRO A 54 -2.890 12.732 -3.960 1.00 0.39 H new ATOM 0 HB3 PRO A 54 -3.285 11.079 -4.384 1.00 0.39 H new ATOM 0 HG2 PRO A 54 -4.009 13.067 -5.999 1.00 0.52 H new ATOM 0 HG3 PRO A 54 -5.090 11.711 -5.747 1.00 0.52 H new ATOM 0 HD2 PRO A 54 -5.251 14.493 -4.610 1.00 0.52 H new ATOM 0 HD3 PRO A 54 -6.551 13.432 -5.116 1.00 0.52 H new ATOM 842 N ARG A 55 -3.994 11.445 -0.651 1.00 0.26 N ATOM 843 CA ARG A 55 -3.386 11.707 0.644 1.00 0.31 C ATOM 844 C ARG A 55 -2.252 10.739 0.925 1.00 0.24 C ATOM 845 O ARG A 55 -2.307 9.573 0.535 1.00 0.20 O ATOM 846 CB ARG A 55 -4.418 11.595 1.767 1.00 0.42 C ATOM 847 CG ARG A 55 -5.538 12.624 1.703 1.00 1.13 C ATOM 848 CD ARG A 55 -5.006 14.050 1.643 1.00 1.35 C ATOM 849 NE ARG A 55 -3.953 14.302 2.632 1.00 2.05 N ATOM 850 CZ ARG A 55 -4.170 14.712 3.883 1.00 2.41 C ATOM 851 NH1 ARG A 55 -5.408 14.853 4.344 1.00 2.30 N ATOM 852 NH2 ARG A 55 -3.141 14.973 4.679 1.00 3.34 N ATOM 0 H ARG A 55 -4.499 10.561 -0.711 1.00 0.26 H new ATOM 0 HA ARG A 55 -2.992 12.723 0.611 1.00 0.31 H new ATOM 0 HB2 ARG A 55 -4.857 10.598 1.741 1.00 0.42 H new ATOM 0 HB3 ARG A 55 -3.906 11.693 2.724 1.00 0.42 H new ATOM 0 HG2 ARG A 55 -6.156 12.431 0.826 1.00 1.13 H new ATOM 0 HG3 ARG A 55 -6.181 12.514 2.577 1.00 1.13 H new ATOM 0 HD2 ARG A 55 -4.616 14.246 0.644 1.00 1.35 H new ATOM 0 HD3 ARG A 55 -5.828 14.747 1.807 1.00 1.35 H new ATOM 0 HE ARG A 55 -2.986 14.153 2.343 1.00 2.05 H new ATOM 0 HH11 ARG A 55 -6.204 14.647 3.740 1.00 2.30 H new ATOM 0 HH12 ARG A 55 -5.563 15.167 5.302 1.00 2.30 H new ATOM 0 HH21 ARG A 55 -2.188 14.860 4.334 1.00 3.34 H new ATOM 0 HH22 ARG A 55 -3.303 15.287 5.636 1.00 3.34 H new ATOM 866 N VAL A 56 -1.224 11.231 1.595 1.00 0.26 N ATOM 867 CA VAL A 56 -0.159 10.376 2.086 1.00 0.24 C ATOM 868 C VAL A 56 -0.579 9.736 3.407 1.00 0.22 C ATOM 869 O VAL A 56 -0.866 10.424 4.388 1.00 0.25 O ATOM 870 CB VAL A 56 1.176 11.141 2.257 1.00 0.29 C ATOM 871 CG1 VAL A 56 1.718 11.568 0.905 1.00 1.48 C ATOM 872 CG2 VAL A 56 1.012 12.355 3.162 1.00 1.32 C ATOM 0 H VAL A 56 -1.105 12.221 1.811 1.00 0.26 H new ATOM 0 HA VAL A 56 0.012 9.599 1.341 1.00 0.24 H new ATOM 0 HB VAL A 56 1.887 10.463 2.729 1.00 0.29 H new ATOM 0 HG11 VAL A 56 2.657 12.105 1.042 1.00 1.48 H new ATOM 0 HG12 VAL A 56 1.891 10.687 0.287 1.00 1.48 H new ATOM 0 HG13 VAL A 56 0.996 12.220 0.413 1.00 1.48 H new ATOM 0 HG21 VAL A 56 1.969 12.868 3.260 1.00 1.32 H new ATOM 0 HG22 VAL A 56 0.278 13.035 2.729 1.00 1.32 H new ATOM 0 HG23 VAL A 56 0.671 12.032 4.146 1.00 1.32 H new ATOM 882 N TYR A 57 -0.651 8.418 3.415 1.00 0.22 N ATOM 883 CA TYR A 57 -1.118 7.694 4.583 1.00 0.25 C ATOM 884 C TYR A 57 0.019 6.949 5.266 1.00 0.25 C ATOM 885 O TYR A 57 0.927 6.437 4.610 1.00 0.27 O ATOM 886 CB TYR A 57 -2.239 6.729 4.205 1.00 0.27 C ATOM 887 CG TYR A 57 -3.565 7.419 3.952 1.00 0.31 C ATOM 888 CD1 TYR A 57 -4.257 8.029 4.993 1.00 0.44 C ATOM 889 CD2 TYR A 57 -4.122 7.462 2.681 1.00 0.40 C ATOM 890 CE1 TYR A 57 -5.465 8.661 4.773 1.00 0.49 C ATOM 891 CE2 TYR A 57 -5.333 8.094 2.454 1.00 0.47 C ATOM 892 CZ TYR A 57 -5.998 8.692 3.505 1.00 0.46 C ATOM 893 OH TYR A 57 -7.200 9.326 3.289 1.00 0.54 O ATOM 0 H TYR A 57 -0.392 7.826 2.625 1.00 0.22 H new ATOM 0 HA TYR A 57 -1.511 8.424 5.290 1.00 0.25 H new ATOM 0 HB2 TYR A 57 -1.948 6.177 3.311 1.00 0.27 H new ATOM 0 HB3 TYR A 57 -2.364 5.998 5.004 1.00 0.27 H new ATOM 0 HD1 TYR A 57 -3.843 8.008 5.990 1.00 0.44 H new ATOM 0 HD2 TYR A 57 -3.603 6.995 1.857 1.00 0.40 H new ATOM 0 HE1 TYR A 57 -5.989 9.129 5.593 1.00 0.49 H new ATOM 0 HE2 TYR A 57 -5.755 8.119 1.460 1.00 0.47 H new ATOM 0 HH TYR A 57 -7.439 9.260 2.341 1.00 0.54 H new ATOM 903 N ARG A 58 -0.050 6.893 6.590 1.00 0.27 N ATOM 904 CA ARG A 58 0.960 6.225 7.396 1.00 0.31 C ATOM 905 C ARG A 58 0.588 4.759 7.575 1.00 0.27 C ATOM 906 O ARG A 58 -0.353 4.425 8.300 1.00 0.31 O ATOM 907 CB ARG A 58 1.084 6.925 8.752 1.00 0.42 C ATOM 908 CG ARG A 58 2.091 6.307 9.705 1.00 0.55 C ATOM 909 CD ARG A 58 3.508 6.673 9.312 1.00 1.11 C ATOM 910 NE ARG A 58 4.465 6.314 10.358 1.00 1.70 N ATOM 911 CZ ARG A 58 5.660 5.770 10.136 1.00 2.56 C ATOM 912 NH1 ARG A 58 6.078 5.544 8.897 1.00 3.09 N ATOM 913 NH2 ARG A 58 6.448 5.474 11.160 1.00 3.26 N ATOM 0 H ARG A 58 -0.807 7.309 7.133 1.00 0.27 H new ATOM 0 HA ARG A 58 1.925 6.277 6.891 1.00 0.31 H new ATOM 0 HB2 ARG A 58 1.359 7.966 8.582 1.00 0.42 H new ATOM 0 HB3 ARG A 58 0.106 6.928 9.233 1.00 0.42 H new ATOM 0 HG2 ARG A 58 1.892 6.648 10.721 1.00 0.55 H new ATOM 0 HG3 ARG A 58 1.979 5.223 9.705 1.00 0.55 H new ATOM 0 HD2 ARG A 58 3.773 6.164 8.385 1.00 1.11 H new ATOM 0 HD3 ARG A 58 3.567 7.744 9.115 1.00 1.11 H new ATOM 0 HE ARG A 58 4.198 6.493 11.326 1.00 1.70 H new ATOM 0 HH11 ARG A 58 5.482 5.787 8.105 1.00 3.09 H new ATOM 0 HH12 ARG A 58 6.995 5.127 8.736 1.00 3.09 H new ATOM 0 HH21 ARG A 58 6.138 5.663 12.113 1.00 3.26 H new ATOM 0 HH22 ARG A 58 7.364 5.057 10.995 1.00 3.26 H new ATOM 927 N VAL A 59 1.318 3.899 6.890 1.00 0.25 N ATOM 928 CA VAL A 59 1.056 2.474 6.909 1.00 0.25 C ATOM 929 C VAL A 59 1.567 1.839 8.185 1.00 0.25 C ATOM 930 O VAL A 59 2.776 1.835 8.449 1.00 0.26 O ATOM 931 CB VAL A 59 1.713 1.754 5.719 1.00 0.31 C ATOM 932 CG1 VAL A 59 1.438 0.263 5.785 1.00 0.45 C ATOM 933 CG2 VAL A 59 1.219 2.316 4.406 1.00 0.36 C ATOM 0 H VAL A 59 2.109 4.169 6.305 1.00 0.25 H new ATOM 0 HA VAL A 59 -0.027 2.364 6.845 1.00 0.25 H new ATOM 0 HB VAL A 59 2.789 1.918 5.778 1.00 0.31 H new ATOM 0 HG11 VAL A 59 1.910 -0.232 4.936 1.00 0.45 H new ATOM 0 HG12 VAL A 59 1.844 -0.141 6.712 1.00 0.45 H new ATOM 0 HG13 VAL A 59 0.362 0.090 5.754 1.00 0.45 H new ATOM 0 HG21 VAL A 59 1.699 1.789 3.581 1.00 0.36 H new ATOM 0 HG22 VAL A 59 0.139 2.188 4.339 1.00 0.36 H new ATOM 0 HG23 VAL A 59 1.462 3.377 4.350 1.00 0.36 H new ATOM 943 N ASN A 60 0.636 1.303 8.964 1.00 0.28 N ATOM 944 CA ASN A 60 0.970 0.517 10.139 1.00 0.32 C ATOM 945 C ASN A 60 1.269 -0.912 9.714 1.00 0.32 C ATOM 946 O ASN A 60 1.978 -1.643 10.399 1.00 0.37 O ATOM 947 CB ASN A 60 -0.179 0.528 11.155 1.00 0.41 C ATOM 948 CG ASN A 60 -0.366 1.871 11.835 1.00 1.12 C ATOM 949 OD1 ASN A 60 0.211 2.136 12.890 1.00 1.92 O ATOM 950 ND2 ASN A 60 -1.190 2.722 11.243 1.00 1.68 N ATOM 0 H ASN A 60 -0.366 1.401 8.798 1.00 0.28 H new ATOM 0 HA ASN A 60 1.846 0.956 10.616 1.00 0.32 H new ATOM 0 HB2 ASN A 60 -1.105 0.253 10.649 1.00 0.41 H new ATOM 0 HB3 ASN A 60 0.008 -0.232 11.913 1.00 0.41 H new ATOM 0 HD21 ASN A 60 -1.366 3.636 11.661 1.00 1.68 H new ATOM 0 HD22 ASN A 60 -1.648 2.464 10.369 1.00 1.68 H new ATOM 957 N GLY A 61 0.703 -1.307 8.578 1.00 0.40 N ATOM 958 CA GLY A 61 0.976 -2.616 8.023 1.00 0.47 C ATOM 959 C GLY A 61 -0.133 -3.091 7.108 1.00 0.43 C ATOM 960 O GLY A 61 -0.784 -2.282 6.448 1.00 0.43 O ATOM 0 H GLY A 61 0.057 -0.739 8.031 1.00 0.40 H new ATOM 0 HA2 GLY A 61 1.914 -2.586 7.469 1.00 0.47 H new ATOM 0 HA3 GLY A 61 1.108 -3.332 8.834 1.00 0.47 H new ATOM 964 N LEU A 62 -0.362 -4.399 7.078 1.00 0.41 N ATOM 965 CA LEU A 62 -1.383 -4.994 6.225 1.00 0.38 C ATOM 966 C LEU A 62 -2.294 -5.881 7.063 1.00 0.38 C ATOM 967 O LEU A 62 -1.882 -6.384 8.110 1.00 0.42 O ATOM 968 CB LEU A 62 -0.720 -5.827 5.121 1.00 0.39 C ATOM 969 CG LEU A 62 -0.041 -5.024 4.014 1.00 0.45 C ATOM 970 CD1 LEU A 62 0.856 -5.922 3.192 1.00 0.43 C ATOM 971 CD2 LEU A 62 -1.081 -4.381 3.118 1.00 0.55 C ATOM 0 H LEU A 62 0.153 -5.075 7.642 1.00 0.41 H new ATOM 0 HA LEU A 62 -1.974 -4.201 5.766 1.00 0.38 H new ATOM 0 HB2 LEU A 62 0.021 -6.482 5.579 1.00 0.39 H new ATOM 0 HB3 LEU A 62 -1.477 -6.469 4.669 1.00 0.39 H new ATOM 0 HG LEU A 62 0.563 -4.242 4.474 1.00 0.45 H new ATOM 0 HD11 LEU A 62 1.334 -5.338 2.406 1.00 0.43 H new ATOM 0 HD12 LEU A 62 1.620 -6.360 3.835 1.00 0.43 H new ATOM 0 HD13 LEU A 62 0.261 -6.717 2.742 1.00 0.43 H new ATOM 0 HD21 LEU A 62 -0.583 -3.812 2.333 1.00 0.55 H new ATOM 0 HD22 LEU A 62 -1.701 -5.155 2.667 1.00 0.55 H new ATOM 0 HD23 LEU A 62 -1.708 -3.713 3.709 1.00 0.55 H new ATOM 983 N SER A 63 -3.527 -6.056 6.615 1.00 0.36 N ATOM 984 CA SER A 63 -4.482 -6.895 7.318 1.00 0.40 C ATOM 985 C SER A 63 -4.303 -8.360 6.925 1.00 0.46 C ATOM 986 O SER A 63 -4.162 -8.684 5.748 1.00 0.62 O ATOM 987 CB SER A 63 -5.904 -6.433 6.999 1.00 0.44 C ATOM 988 OG SER A 63 -6.194 -6.588 5.621 1.00 1.45 O ATOM 0 H SER A 63 -3.890 -5.626 5.764 1.00 0.36 H new ATOM 0 HA SER A 63 -4.307 -6.805 8.390 1.00 0.40 H new ATOM 0 HB2 SER A 63 -6.617 -7.007 7.591 1.00 0.44 H new ATOM 0 HB3 SER A 63 -6.022 -5.387 7.283 1.00 0.44 H new ATOM 0 HG SER A 63 -6.840 -7.316 5.502 1.00 1.45 H new ATOM 994 N ARG A 64 -4.279 -9.228 7.933 1.00 0.73 N ATOM 995 CA ARG A 64 -4.157 -10.674 7.726 1.00 0.94 C ATOM 996 C ARG A 64 -5.256 -11.237 6.821 1.00 0.65 C ATOM 997 O ARG A 64 -5.104 -12.322 6.255 1.00 0.72 O ATOM 998 CB ARG A 64 -4.176 -11.403 9.067 1.00 1.40 C ATOM 999 CG ARG A 64 -2.902 -11.230 9.873 1.00 2.25 C ATOM 1000 CD ARG A 64 -2.956 -12.024 11.165 1.00 2.62 C ATOM 1001 NE ARG A 64 -3.371 -13.406 10.930 1.00 3.28 N ATOM 1002 CZ ARG A 64 -2.687 -14.473 11.327 1.00 3.81 C ATOM 1003 NH1 ARG A 64 -1.517 -14.338 11.935 1.00 3.76 N ATOM 1004 NH2 ARG A 64 -3.172 -15.683 11.091 1.00 4.70 N ATOM 0 H ARG A 64 -4.343 -8.954 8.913 1.00 0.73 H new ATOM 0 HA ARG A 64 -3.204 -10.839 7.224 1.00 0.94 H new ATOM 0 HB2 ARG A 64 -5.020 -11.042 9.655 1.00 1.40 H new ATOM 0 HB3 ARG A 64 -4.342 -12.466 8.891 1.00 1.40 H new ATOM 0 HG2 ARG A 64 -2.047 -11.554 9.280 1.00 2.25 H new ATOM 0 HG3 ARG A 64 -2.752 -10.174 10.098 1.00 2.25 H new ATOM 0 HD2 ARG A 64 -1.975 -12.014 11.640 1.00 2.62 H new ATOM 0 HD3 ARG A 64 -3.650 -11.548 11.857 1.00 2.62 H new ATOM 0 HE ARG A 64 -4.245 -13.561 10.427 1.00 3.28 H new ATOM 0 HH11 ARG A 64 -1.133 -13.408 12.102 1.00 3.76 H new ATOM 0 HH12 ARG A 64 -1.000 -15.164 12.236 1.00 3.76 H new ATOM 0 HH21 ARG A 64 -4.064 -15.790 10.608 1.00 4.70 H new ATOM 0 HH22 ARG A 64 -2.653 -16.508 11.392 1.00 4.70 H new ATOM 1018 N ALA A 65 -6.364 -10.518 6.705 1.00 0.45 N ATOM 1019 CA ALA A 65 -7.440 -10.923 5.813 1.00 0.32 C ATOM 1020 C ALA A 65 -7.487 -10.018 4.584 1.00 0.30 C ATOM 1021 O ALA A 65 -7.425 -8.792 4.702 1.00 0.33 O ATOM 1022 CB ALA A 65 -8.770 -10.899 6.547 1.00 0.47 C ATOM 0 H ALA A 65 -6.541 -9.653 7.216 1.00 0.45 H new ATOM 0 HA ALA A 65 -7.248 -11.942 5.478 1.00 0.32 H new ATOM 0 HB1 ALA A 65 -9.566 -11.204 5.868 1.00 0.47 H new ATOM 0 HB2 ALA A 65 -8.731 -11.586 7.393 1.00 0.47 H new ATOM 0 HB3 ALA A 65 -8.968 -9.890 6.908 1.00 0.47 H new ATOM 1028 N PRO A 66 -7.570 -10.618 3.386 1.00 0.27 N ATOM 1029 CA PRO A 66 -7.637 -9.875 2.120 1.00 0.29 C ATOM 1030 C PRO A 66 -8.946 -9.107 1.964 1.00 0.27 C ATOM 1031 O PRO A 66 -9.974 -9.473 2.537 1.00 0.26 O ATOM 1032 CB PRO A 66 -7.535 -10.970 1.046 1.00 0.32 C ATOM 1033 CG PRO A 66 -7.072 -12.195 1.763 1.00 0.30 C ATOM 1034 CD PRO A 66 -7.590 -12.070 3.164 1.00 0.27 C ATOM 0 HA PRO A 66 -6.851 -9.122 2.056 1.00 0.29 H new ATOM 0 HB2 PRO A 66 -8.499 -11.138 0.565 1.00 0.32 H new ATOM 0 HB3 PRO A 66 -6.833 -10.686 0.262 1.00 0.32 H new ATOM 0 HG2 PRO A 66 -7.454 -13.096 1.284 1.00 0.30 H new ATOM 0 HG3 PRO A 66 -5.984 -12.266 1.753 1.00 0.30 H new ATOM 0 HD2 PRO A 66 -8.595 -12.481 3.263 1.00 0.27 H new ATOM 0 HD3 PRO A 66 -6.958 -12.598 3.878 1.00 0.27 H new ATOM 1042 N ALA A 67 -8.896 -8.047 1.157 1.00 0.29 N ATOM 1043 CA ALA A 67 -10.030 -7.144 0.963 1.00 0.28 C ATOM 1044 C ALA A 67 -11.218 -7.851 0.324 1.00 0.26 C ATOM 1045 O ALA A 67 -12.337 -7.333 0.324 1.00 0.27 O ATOM 1046 CB ALA A 67 -9.609 -5.957 0.110 1.00 0.35 C ATOM 0 H ALA A 67 -8.068 -7.790 0.619 1.00 0.29 H new ATOM 0 HA ALA A 67 -10.346 -6.795 1.946 1.00 0.28 H new ATOM 0 HB1 ALA A 67 -10.459 -5.290 -0.030 1.00 0.35 H new ATOM 0 HB2 ALA A 67 -8.803 -5.418 0.608 1.00 0.35 H new ATOM 0 HB3 ALA A 67 -9.263 -6.311 -0.861 1.00 0.35 H new ATOM 1052 N SER A 68 -10.961 -9.029 -0.224 1.00 0.30 N ATOM 1053 CA SER A 68 -11.997 -9.846 -0.828 1.00 0.35 C ATOM 1054 C SER A 68 -12.906 -10.462 0.232 1.00 0.31 C ATOM 1055 O SER A 68 -14.072 -10.755 -0.030 1.00 0.40 O ATOM 1056 CB SER A 68 -11.347 -10.949 -1.664 1.00 0.48 C ATOM 1057 OG SER A 68 -10.300 -11.578 -0.938 1.00 1.42 O ATOM 0 H SER A 68 -10.030 -9.443 -0.261 1.00 0.30 H new ATOM 0 HA SER A 68 -12.612 -9.211 -1.466 1.00 0.35 H new ATOM 0 HB2 SER A 68 -12.097 -11.689 -1.945 1.00 0.48 H new ATOM 0 HB3 SER A 68 -10.953 -10.527 -2.589 1.00 0.48 H new ATOM 0 HG SER A 68 -9.897 -12.282 -1.488 1.00 1.42 H new ATOM 1063 N SER A 69 -12.375 -10.644 1.434 1.00 0.28 N ATOM 1064 CA SER A 69 -13.106 -11.339 2.480 1.00 0.37 C ATOM 1065 C SER A 69 -13.185 -10.526 3.774 1.00 0.33 C ATOM 1066 O SER A 69 -13.787 -10.966 4.754 1.00 0.42 O ATOM 1067 CB SER A 69 -12.450 -12.697 2.735 1.00 0.50 C ATOM 1068 OG SER A 69 -11.035 -12.581 2.774 1.00 1.46 O ATOM 0 H SER A 69 -11.446 -10.321 1.706 1.00 0.28 H new ATOM 0 HA SER A 69 -14.132 -11.481 2.139 1.00 0.37 H new ATOM 0 HB2 SER A 69 -12.811 -13.107 3.678 1.00 0.50 H new ATOM 0 HB3 SER A 69 -12.739 -13.397 1.951 1.00 0.50 H new ATOM 0 HG SER A 69 -10.639 -13.462 2.940 1.00 1.46 H new ATOM 1074 N GLU A 70 -12.590 -9.342 3.777 1.00 0.28 N ATOM 1075 CA GLU A 70 -12.637 -8.480 4.951 1.00 0.35 C ATOM 1076 C GLU A 70 -13.910 -7.651 4.956 1.00 0.37 C ATOM 1077 O GLU A 70 -14.128 -6.820 4.074 1.00 0.37 O ATOM 1078 CB GLU A 70 -11.424 -7.552 5.011 1.00 0.42 C ATOM 1079 CG GLU A 70 -10.408 -7.940 6.077 1.00 0.78 C ATOM 1080 CD GLU A 70 -10.993 -7.954 7.478 1.00 0.58 C ATOM 1081 OE1 GLU A 70 -11.634 -8.960 7.851 1.00 1.03 O ATOM 1082 OE2 GLU A 70 -10.811 -6.964 8.221 1.00 1.26 O ATOM 0 H GLU A 70 -12.072 -8.958 2.987 1.00 0.28 H new ATOM 0 HA GLU A 70 -12.623 -9.126 5.829 1.00 0.35 H new ATOM 0 HB2 GLU A 70 -10.933 -7.548 4.038 1.00 0.42 H new ATOM 0 HB3 GLU A 70 -11.765 -6.534 5.200 1.00 0.42 H new ATOM 0 HG2 GLU A 70 -10.007 -8.927 5.847 1.00 0.78 H new ATOM 0 HG3 GLU A 70 -9.572 -7.241 6.045 1.00 0.78 H new ATOM 1089 N THR A 71 -14.759 -7.894 5.943 1.00 0.44 N ATOM 1090 CA THR A 71 -15.941 -7.081 6.125 1.00 0.48 C ATOM 1091 C THR A 71 -15.730 -6.103 7.267 1.00 0.58 C ATOM 1092 O THR A 71 -15.475 -6.507 8.402 1.00 0.85 O ATOM 1093 CB THR A 71 -17.175 -7.948 6.435 1.00 0.61 C ATOM 1094 OG1 THR A 71 -16.854 -8.921 7.441 1.00 0.76 O ATOM 1095 CG2 THR A 71 -17.681 -8.652 5.189 1.00 0.62 C ATOM 0 H THR A 71 -14.648 -8.645 6.625 1.00 0.44 H new ATOM 0 HA THR A 71 -16.115 -6.540 5.195 1.00 0.48 H new ATOM 0 HB THR A 71 -17.963 -7.289 6.801 1.00 0.61 H new ATOM 0 HG1 THR A 71 -16.342 -8.493 8.159 1.00 0.76 H new ATOM 0 HG21 THR A 71 -18.553 -9.256 5.441 1.00 0.62 H new ATOM 0 HG22 THR A 71 -17.958 -7.911 4.439 1.00 0.62 H new ATOM 0 HG23 THR A 71 -16.897 -9.295 4.791 1.00 0.62 H new ATOM 1103 N PHE A 72 -15.822 -4.825 6.963 1.00 0.51 N ATOM 1104 CA PHE A 72 -15.754 -3.804 7.992 1.00 0.59 C ATOM 1105 C PHE A 72 -17.128 -3.203 8.241 1.00 0.68 C ATOM 1106 O PHE A 72 -17.975 -3.169 7.344 1.00 0.64 O ATOM 1107 CB PHE A 72 -14.738 -2.713 7.620 1.00 0.58 C ATOM 1108 CG PHE A 72 -15.077 -1.923 6.383 1.00 0.54 C ATOM 1109 CD1 PHE A 72 -14.834 -2.439 5.120 1.00 0.43 C ATOM 1110 CD2 PHE A 72 -15.629 -0.655 6.487 1.00 0.68 C ATOM 1111 CE1 PHE A 72 -15.135 -1.706 3.986 1.00 0.43 C ATOM 1112 CE2 PHE A 72 -15.931 0.079 5.356 1.00 0.67 C ATOM 1113 CZ PHE A 72 -15.685 -0.447 4.105 1.00 0.52 C ATOM 0 H PHE A 72 -15.944 -4.468 6.015 1.00 0.51 H new ATOM 0 HA PHE A 72 -15.415 -4.275 8.915 1.00 0.59 H new ATOM 0 HB2 PHE A 72 -14.644 -2.023 8.459 1.00 0.58 H new ATOM 0 HB3 PHE A 72 -13.762 -3.179 7.480 1.00 0.58 H new ATOM 0 HD1 PHE A 72 -14.405 -3.425 5.020 1.00 0.43 H new ATOM 0 HD2 PHE A 72 -15.825 -0.237 7.463 1.00 0.68 H new ATOM 0 HE1 PHE A 72 -14.939 -2.120 3.008 1.00 0.43 H new ATOM 0 HE2 PHE A 72 -16.360 1.065 5.452 1.00 0.67 H new ATOM 0 HZ PHE A 72 -15.923 0.126 3.221 1.00 0.52 H new ATOM 1123 N GLU A 73 -17.348 -2.758 9.467 1.00 0.83 N ATOM 1124 CA GLU A 73 -18.610 -2.153 9.844 1.00 0.94 C ATOM 1125 C GLU A 73 -18.539 -0.648 9.633 1.00 0.99 C ATOM 1126 O GLU A 73 -17.759 0.049 10.283 1.00 1.09 O ATOM 1127 CB GLU A 73 -18.944 -2.494 11.299 1.00 1.14 C ATOM 1128 CG GLU A 73 -20.326 -2.037 11.736 1.00 1.27 C ATOM 1129 CD GLU A 73 -20.735 -2.620 13.074 1.00 1.68 C ATOM 1130 OE1 GLU A 73 -21.325 -3.720 13.099 1.00 1.96 O ATOM 1131 OE2 GLU A 73 -20.466 -1.975 14.111 1.00 2.03 O ATOM 0 H GLU A 73 -16.663 -2.806 10.221 1.00 0.83 H new ATOM 0 HA GLU A 73 -19.407 -2.551 9.216 1.00 0.94 H new ATOM 0 HB2 GLU A 73 -18.868 -3.573 11.436 1.00 1.14 H new ATOM 0 HB3 GLU A 73 -18.198 -2.037 11.950 1.00 1.14 H new ATOM 0 HG2 GLU A 73 -20.343 -0.949 11.797 1.00 1.27 H new ATOM 0 HG3 GLU A 73 -21.056 -2.325 10.980 1.00 1.27 H new ATOM 1138 N HIS A 74 -19.350 -0.159 8.715 1.00 0.97 N ATOM 1139 CA HIS A 74 -19.333 1.242 8.339 1.00 1.06 C ATOM 1140 C HIS A 74 -20.717 1.833 8.563 1.00 1.17 C ATOM 1141 O HIS A 74 -21.654 1.545 7.811 1.00 1.05 O ATOM 1142 CB HIS A 74 -18.910 1.377 6.872 1.00 1.04 C ATOM 1143 CG HIS A 74 -18.526 2.767 6.462 1.00 1.19 C ATOM 1144 ND1 HIS A 74 -17.292 3.289 6.773 1.00 1.99 N ATOM 1145 CD2 HIS A 74 -19.222 3.679 5.741 1.00 1.14 C ATOM 1146 CE1 HIS A 74 -17.262 4.495 6.234 1.00 1.92 C ATOM 1147 NE2 HIS A 74 -18.408 4.775 5.601 1.00 1.28 N ATOM 0 H HIS A 74 -20.037 -0.719 8.210 1.00 0.97 H new ATOM 0 HA HIS A 74 -18.615 1.787 8.952 1.00 1.06 H new ATOM 0 HB2 HIS A 74 -18.067 0.711 6.687 1.00 1.04 H new ATOM 0 HB3 HIS A 74 -19.729 1.038 6.238 1.00 1.04 H new ATOM 0 HD2 HIS A 74 -20.223 3.565 5.352 1.00 1.14 H new ATOM 0 HE1 HIS A 74 -16.420 5.169 6.296 1.00 1.92 H new ATOM 0 HE2 HIS A 74 -18.633 5.639 5.108 1.00 1.28 H new ATOM 1155 N ASP A 75 -20.843 2.619 9.628 1.00 1.43 N ATOM 1156 CA ASP A 75 -22.123 3.206 10.034 1.00 1.59 C ATOM 1157 C ASP A 75 -23.118 2.118 10.420 1.00 1.49 C ATOM 1158 O ASP A 75 -24.331 2.282 10.279 1.00 1.50 O ATOM 1159 CB ASP A 75 -22.706 4.098 8.934 1.00 1.65 C ATOM 1160 CG ASP A 75 -21.941 5.394 8.771 1.00 2.03 C ATOM 1161 OD1 ASP A 75 -22.201 6.350 9.534 1.00 2.67 O ATOM 1162 OD2 ASP A 75 -21.072 5.463 7.881 1.00 2.27 O ATOM 0 H ASP A 75 -20.063 2.869 10.236 1.00 1.43 H new ATOM 0 HA ASP A 75 -21.935 3.832 10.907 1.00 1.59 H new ATOM 0 HB2 ASP A 75 -22.699 3.555 7.989 1.00 1.65 H new ATOM 0 HB3 ASP A 75 -23.747 4.321 9.166 1.00 1.65 H new ATOM 1167 N GLY A 76 -22.584 1.004 10.902 1.00 1.43 N ATOM 1168 CA GLY A 76 -23.414 -0.093 11.366 1.00 1.41 C ATOM 1169 C GLY A 76 -23.675 -1.138 10.298 1.00 1.19 C ATOM 1170 O GLY A 76 -24.403 -2.102 10.534 1.00 1.18 O ATOM 0 H GLY A 76 -21.581 0.839 10.981 1.00 1.43 H new ATOM 0 HA2 GLY A 76 -22.932 -0.568 12.220 1.00 1.41 H new ATOM 0 HA3 GLY A 76 -24.366 0.304 11.717 1.00 1.41 H new ATOM 1174 N LYS A 77 -23.068 -0.967 9.130 1.00 1.06 N ATOM 1175 CA LYS A 77 -23.276 -1.890 8.020 1.00 0.89 C ATOM 1176 C LYS A 77 -21.973 -2.590 7.659 1.00 0.77 C ATOM 1177 O LYS A 77 -20.935 -1.947 7.534 1.00 0.74 O ATOM 1178 CB LYS A 77 -23.814 -1.145 6.794 1.00 0.87 C ATOM 1179 CG LYS A 77 -25.143 -0.445 7.027 1.00 1.06 C ATOM 1180 CD LYS A 77 -26.240 -1.431 7.391 1.00 1.13 C ATOM 1181 CE LYS A 77 -27.566 -0.727 7.621 1.00 1.40 C ATOM 1182 NZ LYS A 77 -28.061 -0.050 6.392 1.00 2.19 N ATOM 0 H LYS A 77 -22.428 -0.199 8.927 1.00 1.06 H new ATOM 0 HA LYS A 77 -24.008 -2.635 8.332 1.00 0.89 H new ATOM 0 HB2 LYS A 77 -23.077 -0.406 6.479 1.00 0.87 H new ATOM 0 HB3 LYS A 77 -23.927 -1.853 5.973 1.00 0.87 H new ATOM 0 HG2 LYS A 77 -25.033 0.289 7.826 1.00 1.06 H new ATOM 0 HG3 LYS A 77 -25.429 0.102 6.129 1.00 1.06 H new ATOM 0 HD2 LYS A 77 -26.350 -2.165 6.593 1.00 1.13 H new ATOM 0 HD3 LYS A 77 -25.956 -1.977 8.290 1.00 1.13 H new ATOM 0 HE2 LYS A 77 -28.307 -1.452 7.959 1.00 1.40 H new ATOM 0 HE3 LYS A 77 -27.452 0.008 8.418 1.00 1.40 H new ATOM 0 HZ1 LYS A 77 -29.055 0.226 6.524 1.00 2.19 H new ATOM 0 HZ2 LYS A 77 -27.488 0.798 6.208 1.00 2.19 H new ATOM 0 HZ3 LYS A 77 -27.986 -0.700 5.584 1.00 2.19 H new ATOM 1196 N LYS A 78 -22.027 -3.902 7.498 1.00 0.76 N ATOM 1197 CA LYS A 78 -20.843 -4.670 7.134 1.00 0.71 C ATOM 1198 C LYS A 78 -20.763 -4.847 5.627 1.00 0.61 C ATOM 1199 O LYS A 78 -21.699 -5.341 5.001 1.00 0.70 O ATOM 1200 CB LYS A 78 -20.865 -6.044 7.802 1.00 0.88 C ATOM 1201 CG LYS A 78 -20.927 -5.992 9.316 1.00 1.05 C ATOM 1202 CD LYS A 78 -21.064 -7.385 9.907 1.00 1.31 C ATOM 1203 CE LYS A 78 -19.833 -8.234 9.640 1.00 1.47 C ATOM 1204 NZ LYS A 78 -20.037 -9.649 10.047 1.00 1.55 N ATOM 0 H LYS A 78 -22.874 -4.458 7.613 1.00 0.76 H new ATOM 0 HA LYS A 78 -19.969 -4.118 7.478 1.00 0.71 H new ATOM 0 HB2 LYS A 78 -21.725 -6.603 7.432 1.00 0.88 H new ATOM 0 HB3 LYS A 78 -19.974 -6.596 7.504 1.00 0.88 H new ATOM 0 HG2 LYS A 78 -20.026 -5.516 9.704 1.00 1.05 H new ATOM 0 HG3 LYS A 78 -21.771 -5.377 9.627 1.00 1.05 H new ATOM 0 HD2 LYS A 78 -21.227 -7.309 10.982 1.00 1.31 H new ATOM 0 HD3 LYS A 78 -21.942 -7.874 9.485 1.00 1.31 H new ATOM 0 HE2 LYS A 78 -19.587 -8.193 8.579 1.00 1.47 H new ATOM 0 HE3 LYS A 78 -18.982 -7.820 10.181 1.00 1.47 H new ATOM 0 HZ1 LYS A 78 -19.174 -10.195 9.849 1.00 1.55 H new ATOM 0 HZ2 LYS A 78 -20.247 -9.691 11.065 1.00 1.55 H new ATOM 0 HZ3 LYS A 78 -20.833 -10.053 9.513 1.00 1.55 H new ATOM 1218 N VAL A 79 -19.640 -4.455 5.049 1.00 0.51 N ATOM 1219 CA VAL A 79 -19.412 -4.607 3.619 1.00 0.42 C ATOM 1220 C VAL A 79 -17.989 -5.093 3.387 1.00 0.37 C ATOM 1221 O VAL A 79 -17.138 -4.977 4.272 1.00 0.38 O ATOM 1222 CB VAL A 79 -19.620 -3.275 2.851 1.00 0.35 C ATOM 1223 CG1 VAL A 79 -21.075 -2.831 2.895 1.00 0.41 C ATOM 1224 CG2 VAL A 79 -18.717 -2.183 3.407 1.00 0.34 C ATOM 0 H VAL A 79 -18.864 -4.025 5.553 1.00 0.51 H new ATOM 0 HA VAL A 79 -20.136 -5.330 3.243 1.00 0.42 H new ATOM 0 HB VAL A 79 -19.352 -3.451 1.809 1.00 0.35 H new ATOM 0 HG11 VAL A 79 -21.186 -1.895 2.348 1.00 0.41 H new ATOM 0 HG12 VAL A 79 -21.703 -3.596 2.438 1.00 0.41 H new ATOM 0 HG13 VAL A 79 -21.379 -2.684 3.931 1.00 0.41 H new ATOM 0 HG21 VAL A 79 -18.880 -1.259 2.853 1.00 0.34 H new ATOM 0 HG22 VAL A 79 -18.948 -2.021 4.460 1.00 0.34 H new ATOM 0 HG23 VAL A 79 -17.675 -2.487 3.307 1.00 0.34 H new ATOM 1234 N THR A 80 -17.725 -5.631 2.210 1.00 0.34 N ATOM 1235 CA THR A 80 -16.381 -6.038 1.849 1.00 0.30 C ATOM 1236 C THR A 80 -15.739 -4.918 1.055 1.00 0.23 C ATOM 1237 O THR A 80 -16.414 -4.266 0.269 1.00 0.21 O ATOM 1238 CB THR A 80 -16.394 -7.323 0.994 1.00 0.34 C ATOM 1239 OG1 THR A 80 -17.393 -7.218 -0.033 1.00 0.67 O ATOM 1240 CG2 THR A 80 -16.663 -8.551 1.847 1.00 0.65 C ATOM 0 H THR A 80 -18.426 -5.796 1.487 1.00 0.34 H new ATOM 0 HA THR A 80 -15.819 -6.244 2.760 1.00 0.30 H new ATOM 0 HB THR A 80 -15.410 -7.434 0.538 1.00 0.34 H new ATOM 0 HG1 THR A 80 -17.572 -6.273 -0.220 1.00 0.67 H new ATOM 0 HG21 THR A 80 -16.666 -9.439 1.215 1.00 0.65 H new ATOM 0 HG22 THR A 80 -15.884 -8.646 2.604 1.00 0.65 H new ATOM 0 HG23 THR A 80 -17.632 -8.450 2.335 1.00 0.65 H new ATOM 1248 N ILE A 81 -14.447 -4.694 1.250 1.00 0.24 N ATOM 1249 CA ILE A 81 -13.747 -3.614 0.554 1.00 0.23 C ATOM 1250 C ILE A 81 -13.804 -3.805 -0.964 1.00 0.20 C ATOM 1251 O ILE A 81 -13.838 -2.832 -1.718 1.00 0.22 O ATOM 1252 CB ILE A 81 -12.283 -3.491 1.042 1.00 0.28 C ATOM 1253 CG1 ILE A 81 -12.259 -2.932 2.463 1.00 0.37 C ATOM 1254 CG2 ILE A 81 -11.454 -2.613 0.119 1.00 0.32 C ATOM 1255 CD1 ILE A 81 -10.936 -3.113 3.172 1.00 0.71 C ATOM 0 H ILE A 81 -13.861 -5.241 1.881 1.00 0.24 H new ATOM 0 HA ILE A 81 -14.259 -2.682 0.793 1.00 0.23 H new ATOM 0 HB ILE A 81 -11.840 -4.487 1.033 1.00 0.28 H new ATOM 0 HG12 ILE A 81 -12.499 -1.869 2.429 1.00 0.37 H new ATOM 0 HG13 ILE A 81 -13.042 -3.417 3.047 1.00 0.37 H new ATOM 0 HG21 ILE A 81 -10.433 -2.552 0.495 1.00 0.32 H new ATOM 0 HG22 ILE A 81 -11.446 -3.043 -0.882 1.00 0.32 H new ATOM 0 HG23 ILE A 81 -11.888 -1.614 0.081 1.00 0.32 H new ATOM 0 HD11 ILE A 81 -11.000 -2.690 4.175 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -10.702 -4.175 3.240 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -10.151 -2.604 2.613 1.00 0.71 H new ATOM 1267 N ALA A 82 -13.855 -5.058 -1.404 1.00 0.17 N ATOM 1268 CA ALA A 82 -13.986 -5.360 -2.825 1.00 0.17 C ATOM 1269 C ALA A 82 -15.284 -4.777 -3.390 1.00 0.18 C ATOM 1270 O ALA A 82 -15.269 -4.078 -4.405 1.00 0.21 O ATOM 1271 CB ALA A 82 -13.937 -6.864 -3.049 1.00 0.17 C ATOM 0 H ALA A 82 -13.808 -5.878 -0.800 1.00 0.17 H new ATOM 0 HA ALA A 82 -13.151 -4.899 -3.352 1.00 0.17 H new ATOM 0 HB1 ALA A 82 -14.036 -7.077 -4.113 1.00 0.17 H new ATOM 0 HB2 ALA A 82 -12.986 -7.255 -2.688 1.00 0.17 H new ATOM 0 HB3 ALA A 82 -14.754 -7.339 -2.507 1.00 0.17 H new ATOM 1277 N SER A 83 -16.396 -5.048 -2.717 1.00 0.18 N ATOM 1278 CA SER A 83 -17.699 -4.538 -3.139 1.00 0.20 C ATOM 1279 C SER A 83 -17.815 -3.046 -2.824 1.00 0.21 C ATOM 1280 O SER A 83 -18.498 -2.294 -3.516 1.00 0.25 O ATOM 1281 CB SER A 83 -18.802 -5.319 -2.430 1.00 0.23 C ATOM 1282 OG SER A 83 -18.569 -6.718 -2.524 1.00 1.11 O ATOM 0 H SER A 83 -16.423 -5.620 -1.873 1.00 0.18 H new ATOM 0 HA SER A 83 -17.803 -4.667 -4.216 1.00 0.20 H new ATOM 0 HB2 SER A 83 -18.848 -5.023 -1.382 1.00 0.23 H new ATOM 0 HB3 SER A 83 -19.768 -5.076 -2.872 1.00 0.23 H new ATOM 0 HG SER A 83 -18.237 -7.053 -1.665 1.00 1.11 H new ATOM 1288 N TYR A 84 -17.129 -2.641 -1.772 1.00 0.21 N ATOM 1289 CA TYR A 84 -17.096 -1.257 -1.325 1.00 0.24 C ATOM 1290 C TYR A 84 -16.488 -0.349 -2.395 1.00 0.25 C ATOM 1291 O TYR A 84 -17.021 0.726 -2.683 1.00 0.30 O ATOM 1292 CB TYR A 84 -16.319 -1.205 -0.004 1.00 0.25 C ATOM 1293 CG TYR A 84 -15.790 0.146 0.406 1.00 0.28 C ATOM 1294 CD1 TYR A 84 -16.672 1.174 0.698 1.00 0.31 C ATOM 1295 CD2 TYR A 84 -14.430 0.404 0.477 1.00 0.31 C ATOM 1296 CE1 TYR A 84 -16.219 2.424 1.054 1.00 0.38 C ATOM 1297 CE2 TYR A 84 -13.962 1.653 0.837 1.00 0.37 C ATOM 1298 CZ TYR A 84 -14.773 2.607 1.196 1.00 0.39 C ATOM 1299 OH TYR A 84 -14.399 3.912 1.480 1.00 0.49 O ATOM 0 H TYR A 84 -16.571 -3.270 -1.195 1.00 0.21 H new ATOM 0 HA TYR A 84 -18.107 -0.886 -1.158 1.00 0.24 H new ATOM 0 HB2 TYR A 84 -16.969 -1.574 0.790 1.00 0.25 H new ATOM 0 HB3 TYR A 84 -15.478 -1.895 -0.074 1.00 0.25 H new ATOM 0 HD1 TYR A 84 -17.735 0.991 0.645 1.00 0.31 H new ATOM 0 HD2 TYR A 84 -13.726 -0.382 0.248 1.00 0.31 H new ATOM 0 HE1 TYR A 84 -16.905 3.241 1.223 1.00 0.38 H new ATOM 0 HE2 TYR A 84 -12.899 1.843 0.820 1.00 0.37 H new ATOM 0 HH TYR A 84 -13.424 3.962 1.562 1.00 0.49 H new ATOM 1309 N PHE A 85 -15.387 -0.790 -2.994 1.00 0.22 N ATOM 1310 CA PHE A 85 -14.797 -0.077 -4.122 1.00 0.23 C ATOM 1311 C PHE A 85 -15.635 -0.280 -5.378 1.00 0.25 C ATOM 1312 O PHE A 85 -15.732 0.609 -6.222 1.00 0.28 O ATOM 1313 CB PHE A 85 -13.361 -0.539 -4.376 1.00 0.22 C ATOM 1314 CG PHE A 85 -12.336 0.163 -3.529 1.00 0.25 C ATOM 1315 CD1 PHE A 85 -12.132 -0.198 -2.208 1.00 0.35 C ATOM 1316 CD2 PHE A 85 -11.570 1.186 -4.064 1.00 0.48 C ATOM 1317 CE1 PHE A 85 -11.183 0.449 -1.438 1.00 0.39 C ATOM 1318 CE2 PHE A 85 -10.622 1.833 -3.299 1.00 0.54 C ATOM 1319 CZ PHE A 85 -10.430 1.463 -1.986 1.00 0.39 C ATOM 0 H PHE A 85 -14.886 -1.635 -2.719 1.00 0.22 H new ATOM 0 HA PHE A 85 -14.779 0.984 -3.872 1.00 0.23 H new ATOM 0 HB2 PHE A 85 -13.297 -1.611 -4.192 1.00 0.22 H new ATOM 0 HB3 PHE A 85 -13.119 -0.381 -5.427 1.00 0.22 H new ATOM 0 HD1 PHE A 85 -12.720 -0.993 -1.774 1.00 0.35 H new ATOM 0 HD2 PHE A 85 -11.717 1.480 -5.093 1.00 0.48 H new ATOM 0 HE1 PHE A 85 -11.033 0.159 -0.408 1.00 0.39 H new ATOM 0 HE2 PHE A 85 -10.031 2.628 -3.729 1.00 0.54 H new ATOM 0 HZ PHE A 85 -9.688 1.969 -1.386 1.00 0.39 H new ATOM 1329 N HIS A 86 -16.252 -1.450 -5.487 1.00 0.24 N ATOM 1330 CA HIS A 86 -17.080 -1.778 -6.644 1.00 0.29 C ATOM 1331 C HIS A 86 -18.304 -0.861 -6.714 1.00 0.31 C ATOM 1332 O HIS A 86 -18.743 -0.476 -7.797 1.00 0.36 O ATOM 1333 CB HIS A 86 -17.515 -3.244 -6.581 1.00 0.31 C ATOM 1334 CG HIS A 86 -18.135 -3.743 -7.847 1.00 0.61 C ATOM 1335 ND1 HIS A 86 -19.458 -4.102 -7.906 1.00 1.62 N ATOM 1336 CD2 HIS A 86 -17.569 -3.936 -9.062 1.00 0.88 C ATOM 1337 CE1 HIS A 86 -19.669 -4.500 -9.148 1.00 1.76 C ATOM 1338 NE2 HIS A 86 -18.552 -4.418 -9.884 1.00 1.19 N ATOM 0 H HIS A 86 -16.195 -2.190 -4.787 1.00 0.24 H new ATOM 0 HA HIS A 86 -16.488 -1.624 -7.546 1.00 0.29 H new ATOM 0 HB2 HIS A 86 -16.648 -3.861 -6.344 1.00 0.31 H new ATOM 0 HB3 HIS A 86 -18.227 -3.368 -5.765 1.00 0.31 H new ATOM 0 HD2 HIS A 86 -16.540 -3.746 -9.331 1.00 0.88 H new ATOM 0 HE1 HIS A 86 -20.621 -4.847 -9.523 1.00 1.76 H new ATOM 0 HE2 HIS A 86 -18.453 -4.667 -10.868 1.00 1.19 H new ATOM 1346 N SER A 87 -18.840 -0.497 -5.553 1.00 0.33 N ATOM 1347 CA SER A 87 -19.970 0.427 -5.481 1.00 0.37 C ATOM 1348 C SER A 87 -19.495 1.851 -5.786 1.00 0.36 C ATOM 1349 O SER A 87 -20.286 2.766 -6.004 1.00 0.44 O ATOM 1350 CB SER A 87 -20.615 0.353 -4.092 1.00 0.44 C ATOM 1351 OG SER A 87 -21.868 1.013 -4.069 1.00 1.34 O ATOM 0 H SER A 87 -18.510 -0.828 -4.646 1.00 0.33 H new ATOM 0 HA SER A 87 -20.718 0.146 -6.223 1.00 0.37 H new ATOM 0 HB2 SER A 87 -20.746 -0.690 -3.805 1.00 0.44 H new ATOM 0 HB3 SER A 87 -19.950 0.805 -3.356 1.00 0.44 H new ATOM 0 HG SER A 87 -21.879 1.718 -4.750 1.00 1.34 H new ATOM 1357 N ARG A 88 -18.183 2.006 -5.802 1.00 0.32 N ATOM 1358 CA ARG A 88 -17.549 3.263 -6.166 1.00 0.36 C ATOM 1359 C ARG A 88 -17.117 3.234 -7.624 1.00 0.38 C ATOM 1360 O ARG A 88 -16.302 4.047 -8.055 1.00 0.47 O ATOM 1361 CB ARG A 88 -16.358 3.566 -5.256 1.00 0.44 C ATOM 1362 CG ARG A 88 -16.708 4.475 -4.088 1.00 0.83 C ATOM 1363 CD ARG A 88 -17.765 3.862 -3.181 1.00 1.10 C ATOM 1364 NE ARG A 88 -18.295 4.833 -2.226 1.00 1.79 N ATOM 1365 CZ ARG A 88 -18.957 4.503 -1.117 1.00 2.33 C ATOM 1366 NH1 ARG A 88 -19.148 3.222 -0.808 1.00 2.20 N ATOM 1367 NH2 ARG A 88 -19.426 5.452 -0.319 1.00 3.30 N ATOM 0 H ARG A 88 -17.525 1.264 -5.563 1.00 0.32 H new ATOM 0 HA ARG A 88 -18.279 4.061 -6.034 1.00 0.36 H new ATOM 0 HB2 ARG A 88 -15.957 2.629 -4.870 1.00 0.44 H new ATOM 0 HB3 ARG A 88 -15.568 4.032 -5.846 1.00 0.44 H new ATOM 0 HG2 ARG A 88 -15.809 4.681 -3.508 1.00 0.83 H new ATOM 0 HG3 ARG A 88 -17.068 5.431 -4.469 1.00 0.83 H new ATOM 0 HD2 ARG A 88 -18.580 3.468 -3.788 1.00 1.10 H new ATOM 0 HD3 ARG A 88 -17.335 3.019 -2.640 1.00 1.10 H new ATOM 0 HE ARG A 88 -18.149 5.824 -2.420 1.00 1.79 H new ATOM 0 HH11 ARG A 88 -18.787 2.490 -1.420 1.00 2.20 H new ATOM 0 HH12 ARG A 88 -19.655 2.972 0.041 1.00 2.20 H new ATOM 0 HH21 ARG A 88 -19.280 6.434 -0.554 1.00 3.30 H new ATOM 0 HH22 ARG A 88 -19.933 5.200 0.530 1.00 3.30 H new ATOM 1381 N ASN A 89 -17.647 2.264 -8.366 1.00 0.37 N ATOM 1382 CA ASN A 89 -17.385 2.132 -9.802 1.00 0.44 C ATOM 1383 C ASN A 89 -15.936 1.755 -10.064 1.00 0.48 C ATOM 1384 O ASN A 89 -15.416 1.981 -11.160 1.00 0.66 O ATOM 1385 CB ASN A 89 -17.721 3.426 -10.561 1.00 0.51 C ATOM 1386 CG ASN A 89 -19.173 3.839 -10.427 1.00 1.01 C ATOM 1387 OD1 ASN A 89 -20.060 3.003 -10.263 1.00 1.58 O ATOM 1388 ND2 ASN A 89 -19.425 5.137 -10.505 1.00 1.87 N ATOM 0 H ASN A 89 -18.269 1.548 -7.992 1.00 0.37 H new ATOM 0 HA ASN A 89 -18.033 1.335 -10.168 1.00 0.44 H new ATOM 0 HB2 ASN A 89 -17.086 4.231 -10.192 1.00 0.51 H new ATOM 0 HB3 ASN A 89 -17.484 3.292 -11.617 1.00 0.51 H new ATOM 0 HD21 ASN A 89 -20.384 5.476 -10.428 1.00 1.87 H new ATOM 0 HD22 ASN A 89 -18.660 5.798 -10.642 1.00 1.87 H new ATOM 1395 N TYR A 90 -15.277 1.188 -9.065 1.00 0.36 N ATOM 1396 CA TYR A 90 -13.904 0.764 -9.238 1.00 0.36 C ATOM 1397 C TYR A 90 -13.752 -0.708 -8.889 1.00 0.33 C ATOM 1398 O TYR A 90 -13.511 -1.060 -7.736 1.00 0.30 O ATOM 1399 CB TYR A 90 -12.942 1.609 -8.397 1.00 0.37 C ATOM 1400 CG TYR A 90 -11.511 1.497 -8.871 1.00 0.42 C ATOM 1401 CD1 TYR A 90 -11.124 2.088 -10.066 1.00 0.57 C ATOM 1402 CD2 TYR A 90 -10.560 0.777 -8.155 1.00 0.42 C ATOM 1403 CE1 TYR A 90 -9.832 1.975 -10.534 1.00 0.66 C ATOM 1404 CE2 TYR A 90 -9.262 0.655 -8.623 1.00 0.51 C ATOM 1405 CZ TYR A 90 -8.906 1.259 -9.813 1.00 0.61 C ATOM 1406 OH TYR A 90 -7.620 1.142 -10.292 1.00 0.73 O ATOM 0 H TYR A 90 -15.668 1.014 -8.139 1.00 0.36 H new ATOM 0 HA TYR A 90 -13.646 0.908 -10.287 1.00 0.36 H new ATOM 0 HB2 TYR A 90 -13.253 2.653 -8.433 1.00 0.37 H new ATOM 0 HB3 TYR A 90 -13.002 1.294 -7.355 1.00 0.37 H new ATOM 0 HD1 TYR A 90 -11.848 2.647 -10.640 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -10.837 0.307 -7.223 1.00 0.42 H new ATOM 0 HE1 TYR A 90 -9.549 2.447 -11.463 1.00 0.66 H new ATOM 0 HE2 TYR A 90 -8.533 0.091 -8.061 1.00 0.51 H new ATOM 0 HH TYR A 90 -7.086 0.607 -9.668 1.00 0.73 H new ATOM 1416 N PRO A 91 -13.926 -1.590 -9.880 1.00 0.38 N ATOM 1417 CA PRO A 91 -13.684 -3.016 -9.702 1.00 0.38 C ATOM 1418 C PRO A 91 -12.193 -3.294 -9.542 1.00 0.36 C ATOM 1419 O PRO A 91 -11.423 -3.161 -10.498 1.00 0.45 O ATOM 1420 CB PRO A 91 -14.230 -3.641 -10.988 1.00 0.45 C ATOM 1421 CG PRO A 91 -14.172 -2.552 -12.000 1.00 0.50 C ATOM 1422 CD PRO A 91 -14.377 -1.267 -11.246 1.00 0.47 C ATOM 0 HA PRO A 91 -14.158 -3.420 -8.808 1.00 0.38 H new ATOM 0 HB2 PRO A 91 -13.631 -4.498 -11.296 1.00 0.45 H new ATOM 0 HB3 PRO A 91 -15.251 -3.998 -10.851 1.00 0.45 H new ATOM 0 HG2 PRO A 91 -13.212 -2.551 -12.516 1.00 0.50 H new ATOM 0 HG3 PRO A 91 -14.943 -2.685 -12.759 1.00 0.50 H new ATOM 0 HD2 PRO A 91 -13.796 -0.452 -11.678 1.00 0.47 H new ATOM 0 HD3 PRO A 91 -15.422 -0.956 -11.260 1.00 0.47 H new ATOM 1430 N LEU A 92 -11.804 -3.669 -8.331 1.00 0.32 N ATOM 1431 CA LEU A 92 -10.399 -3.852 -7.985 1.00 0.32 C ATOM 1432 C LEU A 92 -9.716 -4.826 -8.932 1.00 0.30 C ATOM 1433 O LEU A 92 -10.267 -5.879 -9.273 1.00 0.30 O ATOM 1434 CB LEU A 92 -10.262 -4.353 -6.547 1.00 0.34 C ATOM 1435 CG LEU A 92 -10.777 -3.395 -5.470 1.00 0.33 C ATOM 1436 CD1 LEU A 92 -10.673 -4.037 -4.095 1.00 0.39 C ATOM 1437 CD2 LEU A 92 -10.002 -2.087 -5.508 1.00 0.32 C ATOM 0 H LEU A 92 -12.449 -3.854 -7.563 1.00 0.32 H new ATOM 0 HA LEU A 92 -9.910 -2.882 -8.078 1.00 0.32 H new ATOM 0 HB2 LEU A 92 -10.798 -5.298 -6.456 1.00 0.34 H new ATOM 0 HB3 LEU A 92 -9.210 -4.563 -6.351 1.00 0.34 H new ATOM 0 HG LEU A 92 -11.826 -3.179 -5.671 1.00 0.33 H new ATOM 0 HD11 LEU A 92 -11.043 -3.343 -3.340 1.00 0.39 H new ATOM 0 HD12 LEU A 92 -11.270 -4.949 -4.073 1.00 0.39 H new ATOM 0 HD13 LEU A 92 -9.631 -4.280 -3.885 1.00 0.39 H new ATOM 0 HD21 LEU A 92 -10.381 -1.417 -4.736 1.00 0.32 H new ATOM 0 HD22 LEU A 92 -8.945 -2.285 -5.330 1.00 0.32 H new ATOM 0 HD23 LEU A 92 -10.124 -1.620 -6.485 1.00 0.32 H new ATOM 1449 N LYS A 93 -8.526 -4.452 -9.373 1.00 0.30 N ATOM 1450 CA LYS A 93 -7.750 -5.272 -10.273 1.00 0.30 C ATOM 1451 C LYS A 93 -7.066 -6.392 -9.508 1.00 0.31 C ATOM 1452 O LYS A 93 -6.723 -7.428 -10.075 1.00 0.36 O ATOM 1453 CB LYS A 93 -6.720 -4.413 -10.997 1.00 0.38 C ATOM 1454 CG LYS A 93 -7.335 -3.230 -11.724 1.00 0.53 C ATOM 1455 CD LYS A 93 -6.287 -2.435 -12.485 1.00 0.84 C ATOM 1456 CE LYS A 93 -5.314 -1.750 -11.540 1.00 1.06 C ATOM 1457 NZ LYS A 93 -4.232 -1.046 -12.279 1.00 1.55 N ATOM 0 H LYS A 93 -8.077 -3.573 -9.115 1.00 0.30 H new ATOM 0 HA LYS A 93 -8.416 -5.718 -11.011 1.00 0.30 H new ATOM 0 HB2 LYS A 93 -5.989 -4.048 -10.276 1.00 0.38 H new ATOM 0 HB3 LYS A 93 -6.180 -5.031 -11.714 1.00 0.38 H new ATOM 0 HG2 LYS A 93 -8.098 -3.585 -12.417 1.00 0.53 H new ATOM 0 HG3 LYS A 93 -7.835 -2.580 -11.005 1.00 0.53 H new ATOM 0 HD2 LYS A 93 -5.740 -3.099 -13.154 1.00 0.84 H new ATOM 0 HD3 LYS A 93 -6.777 -1.688 -13.109 1.00 0.84 H new ATOM 0 HE2 LYS A 93 -5.853 -1.036 -10.917 1.00 1.06 H new ATOM 0 HE3 LYS A 93 -4.875 -2.490 -10.870 1.00 1.06 H new ATOM 0 HZ1 LYS A 93 -3.588 -0.591 -11.601 1.00 1.55 H new ATOM 0 HZ2 LYS A 93 -3.702 -1.731 -12.854 1.00 1.55 H new ATOM 0 HZ3 LYS A 93 -4.649 -0.323 -12.899 1.00 1.55 H new ATOM 1471 N PHE A 94 -6.885 -6.178 -8.212 1.00 0.35 N ATOM 1472 CA PHE A 94 -6.267 -7.164 -7.343 1.00 0.44 C ATOM 1473 C PHE A 94 -7.077 -7.299 -6.052 1.00 0.44 C ATOM 1474 O PHE A 94 -6.591 -6.981 -4.965 1.00 0.48 O ATOM 1475 CB PHE A 94 -4.828 -6.756 -7.013 1.00 0.58 C ATOM 1476 CG PHE A 94 -3.997 -6.382 -8.212 1.00 0.58 C ATOM 1477 CD1 PHE A 94 -3.377 -7.355 -8.977 1.00 0.70 C ATOM 1478 CD2 PHE A 94 -3.837 -5.051 -8.572 1.00 0.57 C ATOM 1479 CE1 PHE A 94 -2.613 -7.010 -10.078 1.00 0.77 C ATOM 1480 CE2 PHE A 94 -3.075 -4.702 -9.670 1.00 0.61 C ATOM 1481 CZ PHE A 94 -2.462 -5.682 -10.423 1.00 0.70 C ATOM 0 H PHE A 94 -7.162 -5.319 -7.737 1.00 0.35 H new ATOM 0 HA PHE A 94 -6.250 -8.124 -7.859 1.00 0.44 H new ATOM 0 HB2 PHE A 94 -4.852 -5.911 -6.325 1.00 0.58 H new ATOM 0 HB3 PHE A 94 -4.340 -7.579 -6.491 1.00 0.58 H new ATOM 0 HD1 PHE A 94 -3.491 -8.396 -8.711 1.00 0.70 H new ATOM 0 HD2 PHE A 94 -4.314 -4.279 -7.987 1.00 0.57 H new ATOM 0 HE1 PHE A 94 -2.135 -7.779 -10.667 1.00 0.77 H new ATOM 0 HE2 PHE A 94 -2.959 -3.662 -9.939 1.00 0.61 H new ATOM 0 HZ PHE A 94 -1.865 -5.411 -11.281 1.00 0.70 H new ATOM 1491 N PRO A 95 -8.330 -7.778 -6.156 1.00 0.45 N ATOM 1492 CA PRO A 95 -9.238 -7.905 -5.007 1.00 0.52 C ATOM 1493 C PRO A 95 -8.726 -8.864 -3.936 1.00 0.51 C ATOM 1494 O PRO A 95 -9.173 -8.823 -2.790 1.00 0.55 O ATOM 1495 CB PRO A 95 -10.532 -8.461 -5.612 1.00 0.66 C ATOM 1496 CG PRO A 95 -10.428 -8.225 -7.078 1.00 0.57 C ATOM 1497 CD PRO A 95 -8.963 -8.216 -7.407 1.00 0.45 C ATOM 0 HA PRO A 95 -9.354 -6.945 -4.504 1.00 0.52 H new ATOM 0 HB2 PRO A 95 -10.641 -9.523 -5.394 1.00 0.66 H new ATOM 0 HB3 PRO A 95 -11.405 -7.959 -5.196 1.00 0.66 H new ATOM 0 HG2 PRO A 95 -10.945 -9.007 -7.634 1.00 0.57 H new ATOM 0 HG3 PRO A 95 -10.893 -7.278 -7.352 1.00 0.57 H new ATOM 0 HD2 PRO A 95 -8.614 -9.204 -7.708 1.00 0.45 H new ATOM 0 HD3 PRO A 95 -8.741 -7.535 -8.228 1.00 0.45 H new ATOM 1505 N GLN A 96 -7.785 -9.719 -4.307 1.00 0.56 N ATOM 1506 CA GLN A 96 -7.278 -10.740 -3.399 1.00 0.70 C ATOM 1507 C GLN A 96 -6.133 -10.202 -2.553 1.00 0.75 C ATOM 1508 O GLN A 96 -5.462 -10.956 -1.850 1.00 0.96 O ATOM 1509 CB GLN A 96 -6.815 -11.963 -4.187 1.00 0.83 C ATOM 1510 CG GLN A 96 -7.920 -12.602 -5.007 1.00 0.93 C ATOM 1511 CD GLN A 96 -7.464 -13.858 -5.722 1.00 1.70 C ATOM 1512 OE1 GLN A 96 -7.966 -14.188 -6.798 1.00 2.40 O ATOM 1513 NE2 GLN A 96 -6.526 -14.578 -5.125 1.00 2.31 N ATOM 0 H GLN A 96 -7.355 -9.727 -5.232 1.00 0.56 H new ATOM 0 HA GLN A 96 -8.089 -11.030 -2.731 1.00 0.70 H new ATOM 0 HB2 GLN A 96 -6.001 -11.672 -4.851 1.00 0.83 H new ATOM 0 HB3 GLN A 96 -6.412 -12.702 -3.494 1.00 0.83 H new ATOM 0 HG2 GLN A 96 -8.758 -12.844 -4.354 1.00 0.93 H new ATOM 0 HG3 GLN A 96 -8.285 -11.883 -5.741 1.00 0.93 H new ATOM 0 HE21 GLN A 96 -6.136 -14.270 -4.234 1.00 2.31 H new ATOM 0 HE22 GLN A 96 -6.194 -15.441 -5.556 1.00 2.31 H new ATOM 1522 N LEU A 97 -5.910 -8.899 -2.625 1.00 0.67 N ATOM 1523 CA LEU A 97 -4.861 -8.266 -1.845 1.00 0.81 C ATOM 1524 C LEU A 97 -5.297 -8.042 -0.411 1.00 0.61 C ATOM 1525 O LEU A 97 -6.442 -7.665 -0.145 1.00 0.55 O ATOM 1526 CB LEU A 97 -4.461 -6.925 -2.459 1.00 1.09 C ATOM 1527 CG LEU A 97 -3.615 -7.013 -3.725 1.00 1.70 C ATOM 1528 CD1 LEU A 97 -3.194 -5.623 -4.179 1.00 2.43 C ATOM 1529 CD2 LEU A 97 -2.400 -7.893 -3.484 1.00 2.44 C ATOM 0 H LEU A 97 -6.442 -8.260 -3.216 1.00 0.67 H new ATOM 0 HA LEU A 97 -4.005 -8.941 -1.853 1.00 0.81 H new ATOM 0 HB2 LEU A 97 -5.367 -6.364 -2.686 1.00 1.09 H new ATOM 0 HB3 LEU A 97 -3.910 -6.353 -1.713 1.00 1.09 H new ATOM 0 HG LEU A 97 -4.214 -7.463 -4.517 1.00 1.70 H new ATOM 0 HD11 LEU A 97 -2.591 -5.703 -5.083 1.00 2.43 H new ATOM 0 HD12 LEU A 97 -4.081 -5.024 -4.386 1.00 2.43 H new ATOM 0 HD13 LEU A 97 -2.608 -5.145 -3.393 1.00 2.43 H new ATOM 0 HD21 LEU A 97 -1.804 -7.948 -4.395 1.00 2.44 H new ATOM 0 HD22 LEU A 97 -1.797 -7.469 -2.681 1.00 2.44 H new ATOM 0 HD23 LEU A 97 -2.726 -8.894 -3.203 1.00 2.44 H new ATOM 1541 N HIS A 98 -4.380 -8.299 0.505 1.00 0.58 N ATOM 1542 CA HIS A 98 -4.561 -7.930 1.895 1.00 0.51 C ATOM 1543 C HIS A 98 -4.688 -6.418 1.994 1.00 0.54 C ATOM 1544 O HIS A 98 -4.049 -5.680 1.235 1.00 0.68 O ATOM 1545 CB HIS A 98 -3.381 -8.431 2.731 1.00 0.53 C ATOM 1546 CG HIS A 98 -3.216 -9.920 2.689 1.00 0.54 C ATOM 1547 ND1 HIS A 98 -2.331 -10.520 1.828 1.00 0.71 N ATOM 1548 CD2 HIS A 98 -3.861 -10.878 3.397 1.00 0.56 C ATOM 1549 CE1 HIS A 98 -2.457 -11.819 2.030 1.00 0.74 C ATOM 1550 NE2 HIS A 98 -3.372 -12.085 2.972 1.00 0.65 N ATOM 0 H HIS A 98 -3.495 -8.766 0.307 1.00 0.58 H new ATOM 0 HA HIS A 98 -5.469 -8.391 2.284 1.00 0.51 H new ATOM 0 HB2 HIS A 98 -2.465 -7.960 2.373 1.00 0.53 H new ATOM 0 HB3 HIS A 98 -3.518 -8.116 3.766 1.00 0.53 H new ATOM 0 HD2 HIS A 98 -4.617 -10.720 4.152 1.00 0.56 H new ATOM 0 HE1 HIS A 98 -1.893 -12.573 1.502 1.00 0.74 H new ATOM 0 HE2 HIS A 98 -3.650 -13.007 3.307 1.00 0.65 H new ATOM 1558 N CYS A 99 -5.505 -5.961 2.922 1.00 0.46 N ATOM 1559 CA CYS A 99 -5.845 -4.555 3.005 1.00 0.52 C ATOM 1560 C CYS A 99 -4.708 -3.766 3.632 1.00 0.45 C ATOM 1561 O CYS A 99 -4.177 -4.150 4.675 1.00 0.53 O ATOM 1562 CB CYS A 99 -7.121 -4.366 3.827 1.00 0.64 C ATOM 1563 SG CYS A 99 -8.431 -5.549 3.438 1.00 0.55 S ATOM 0 H CYS A 99 -5.947 -6.545 3.632 1.00 0.46 H new ATOM 0 HA CYS A 99 -6.013 -4.184 1.994 1.00 0.52 H new ATOM 0 HB2 CYS A 99 -6.874 -4.449 4.885 1.00 0.64 H new ATOM 0 HB3 CYS A 99 -7.498 -3.356 3.665 1.00 0.64 H new ATOM 0 HG CYS A 99 -8.098 -6.726 3.878 1.00 0.55 H new ATOM 1569 N LEU A 100 -4.324 -2.681 2.979 1.00 0.34 N ATOM 1570 CA LEU A 100 -3.361 -1.759 3.545 1.00 0.30 C ATOM 1571 C LEU A 100 -3.982 -1.117 4.762 1.00 0.29 C ATOM 1572 O LEU A 100 -5.068 -0.545 4.680 1.00 0.28 O ATOM 1573 CB LEU A 100 -2.961 -0.692 2.528 1.00 0.31 C ATOM 1574 CG LEU A 100 -1.918 0.310 2.999 1.00 0.33 C ATOM 1575 CD1 LEU A 100 -0.616 -0.408 3.294 1.00 0.40 C ATOM 1576 CD2 LEU A 100 -1.707 1.379 1.941 1.00 0.40 C ATOM 0 H LEU A 100 -4.667 -2.420 2.055 1.00 0.34 H new ATOM 0 HA LEU A 100 -2.457 -2.300 3.823 1.00 0.30 H new ATOM 0 HB2 LEU A 100 -2.582 -1.191 1.636 1.00 0.31 H new ATOM 0 HB3 LEU A 100 -3.856 -0.145 2.232 1.00 0.31 H new ATOM 0 HG LEU A 100 -2.269 0.792 3.912 1.00 0.33 H new ATOM 0 HD11 LEU A 100 0.129 0.313 3.631 1.00 0.40 H new ATOM 0 HD12 LEU A 100 -0.779 -1.152 4.073 1.00 0.40 H new ATOM 0 HD13 LEU A 100 -0.260 -0.902 2.390 1.00 0.40 H new ATOM 0 HD21 LEU A 100 -0.959 2.091 2.288 1.00 0.40 H new ATOM 0 HD22 LEU A 100 -1.364 0.914 1.017 1.00 0.40 H new ATOM 0 HD23 LEU A 100 -2.647 1.900 1.758 1.00 0.40 H new ATOM 1588 N ASN A 101 -3.300 -1.215 5.882 1.00 0.30 N ATOM 1589 CA ASN A 101 -3.849 -0.725 7.120 1.00 0.32 C ATOM 1590 C ASN A 101 -3.095 0.521 7.538 1.00 0.30 C ATOM 1591 O ASN A 101 -2.000 0.451 8.120 1.00 0.35 O ATOM 1592 CB ASN A 101 -3.785 -1.803 8.208 1.00 0.38 C ATOM 1593 CG ASN A 101 -4.348 -1.332 9.538 1.00 0.44 C ATOM 1594 OD1 ASN A 101 -5.549 -1.411 9.778 1.00 1.01 O ATOM 1595 ND2 ASN A 101 -3.480 -0.859 10.422 1.00 0.89 N ATOM 0 H ASN A 101 -2.370 -1.627 5.958 1.00 0.30 H new ATOM 0 HA ASN A 101 -4.900 -0.473 6.976 1.00 0.32 H new ATOM 0 HB2 ASN A 101 -4.338 -2.682 7.875 1.00 0.38 H new ATOM 0 HB3 ASN A 101 -2.749 -2.112 8.346 1.00 0.38 H new ATOM 0 HD21 ASN A 101 -3.804 -0.546 11.337 1.00 0.89 H new ATOM 0 HD22 ASN A 101 -2.489 -0.808 10.187 1.00 0.89 H new ATOM 1602 N VAL A 102 -3.667 1.658 7.196 1.00 0.26 N ATOM 1603 CA VAL A 102 -3.045 2.942 7.455 1.00 0.25 C ATOM 1604 C VAL A 102 -3.810 3.710 8.523 1.00 0.32 C ATOM 1605 O VAL A 102 -4.935 3.354 8.871 1.00 0.36 O ATOM 1606 CB VAL A 102 -2.945 3.798 6.174 1.00 0.21 C ATOM 1607 CG1 VAL A 102 -2.014 3.147 5.170 1.00 0.21 C ATOM 1608 CG2 VAL A 102 -4.312 4.015 5.554 1.00 0.22 C ATOM 0 H VAL A 102 -4.573 1.719 6.732 1.00 0.26 H new ATOM 0 HA VAL A 102 -2.035 2.740 7.812 1.00 0.25 H new ATOM 0 HB VAL A 102 -2.538 4.770 6.453 1.00 0.21 H new ATOM 0 HG11 VAL A 102 -1.956 3.765 4.274 1.00 0.21 H new ATOM 0 HG12 VAL A 102 -1.020 3.047 5.607 1.00 0.21 H new ATOM 0 HG13 VAL A 102 -2.395 2.160 4.907 1.00 0.21 H new ATOM 0 HG21 VAL A 102 -4.211 4.621 4.654 1.00 0.22 H new ATOM 0 HG22 VAL A 102 -4.751 3.052 5.296 1.00 0.22 H new ATOM 0 HG23 VAL A 102 -4.957 4.529 6.267 1.00 0.22 H new ATOM 1618 N GLY A 103 -3.182 4.737 9.068 1.00 0.38 N ATOM 1619 CA GLY A 103 -3.849 5.573 10.039 1.00 0.50 C ATOM 1620 C GLY A 103 -3.403 5.283 11.452 1.00 0.65 C ATOM 1621 O GLY A 103 -2.238 5.481 11.795 1.00 0.90 O ATOM 0 H GLY A 103 -2.222 5.007 8.855 1.00 0.38 H new ATOM 0 HA2 GLY A 103 -3.655 6.620 9.807 1.00 0.50 H new ATOM 0 HA3 GLY A 103 -4.926 5.425 9.963 1.00 0.50 H new ATOM 1625 N SER A 104 -4.315 4.779 12.263 1.00 0.67 N ATOM 1626 CA SER A 104 -4.039 4.570 13.672 1.00 0.79 C ATOM 1627 C SER A 104 -4.550 3.211 14.134 1.00 0.79 C ATOM 1628 O SER A 104 -5.224 2.504 13.380 1.00 0.74 O ATOM 1629 CB SER A 104 -4.684 5.687 14.495 1.00 0.99 C ATOM 1630 OG SER A 104 -6.070 5.793 14.208 1.00 1.69 O ATOM 0 H SER A 104 -5.253 4.507 11.970 1.00 0.67 H new ATOM 0 HA SER A 104 -2.959 4.590 13.820 1.00 0.79 H new ATOM 0 HB2 SER A 104 -4.543 5.489 15.558 1.00 0.99 H new ATOM 0 HB3 SER A 104 -4.190 6.635 14.279 1.00 0.99 H new ATOM 0 HG SER A 104 -6.310 5.147 13.511 1.00 1.69 H new ATOM 1636 N SER A 105 -4.230 2.853 15.365 1.00 0.95 N ATOM 1637 CA SER A 105 -4.702 1.604 15.938 1.00 1.05 C ATOM 1638 C SER A 105 -6.177 1.712 16.327 1.00 1.13 C ATOM 1639 O SER A 105 -6.935 0.751 16.199 1.00 1.21 O ATOM 1640 CB SER A 105 -3.854 1.247 17.158 1.00 1.24 C ATOM 1641 OG SER A 105 -2.472 1.387 16.868 1.00 1.56 O ATOM 0 H SER A 105 -3.645 3.410 15.988 1.00 0.95 H new ATOM 0 HA SER A 105 -4.606 0.815 15.192 1.00 1.05 H new ATOM 0 HB2 SER A 105 -4.122 1.892 17.995 1.00 1.24 H new ATOM 0 HB3 SER A 105 -4.064 0.223 17.466 1.00 1.24 H new ATOM 0 HG SER A 105 -1.946 1.156 17.662 1.00 1.56 H new ATOM 1647 N ILE A 106 -6.581 2.893 16.791 1.00 1.17 N ATOM 1648 CA ILE A 106 -7.958 3.120 17.222 1.00 1.29 C ATOM 1649 C ILE A 106 -8.884 3.333 16.026 1.00 1.21 C ATOM 1650 O ILE A 106 -10.053 2.946 16.053 1.00 1.34 O ATOM 1651 CB ILE A 106 -8.064 4.321 18.187 1.00 1.42 C ATOM 1652 CG1 ILE A 106 -7.508 5.596 17.540 1.00 1.33 C ATOM 1653 CG2 ILE A 106 -7.328 4.013 19.484 1.00 1.54 C ATOM 1654 CD1 ILE A 106 -7.683 6.836 18.389 1.00 1.65 C ATOM 0 H ILE A 106 -5.973 3.708 16.878 1.00 1.17 H new ATOM 0 HA ILE A 106 -8.273 2.223 17.755 1.00 1.29 H new ATOM 0 HB ILE A 106 -9.117 4.492 18.411 1.00 1.42 H new ATOM 0 HG12 ILE A 106 -6.447 5.455 17.333 1.00 1.33 H new ATOM 0 HG13 ILE A 106 -8.002 5.751 16.581 1.00 1.33 H new ATOM 0 HG21 ILE A 106 -7.408 4.865 20.159 1.00 1.54 H new ATOM 0 HG22 ILE A 106 -7.771 3.135 19.954 1.00 1.54 H new ATOM 0 HG23 ILE A 106 -6.277 3.818 19.269 1.00 1.54 H new ATOM 0 HD11 ILE A 106 -7.266 7.697 17.866 1.00 1.65 H new ATOM 0 HD12 ILE A 106 -8.744 7.003 18.574 1.00 1.65 H new ATOM 0 HD13 ILE A 106 -7.165 6.703 19.339 1.00 1.65 H new ATOM 1666 N LYS A 107 -8.358 3.952 14.981 1.00 1.03 N ATOM 1667 CA LYS A 107 -9.090 4.096 13.735 1.00 0.98 C ATOM 1668 C LYS A 107 -8.219 3.631 12.582 1.00 0.82 C ATOM 1669 O LYS A 107 -7.262 4.309 12.197 1.00 0.77 O ATOM 1670 CB LYS A 107 -9.522 5.547 13.509 1.00 1.09 C ATOM 1671 CG LYS A 107 -10.261 5.767 12.193 1.00 1.56 C ATOM 1672 CD LYS A 107 -11.609 5.061 12.179 1.00 1.87 C ATOM 1673 CE LYS A 107 -12.309 5.208 10.834 1.00 1.81 C ATOM 1674 NZ LYS A 107 -11.757 4.281 9.807 1.00 2.29 N ATOM 0 H LYS A 107 -7.425 4.363 14.972 1.00 1.03 H new ATOM 0 HA LYS A 107 -9.989 3.483 13.791 1.00 0.98 H new ATOM 0 HB2 LYS A 107 -10.164 5.858 14.333 1.00 1.09 H new ATOM 0 HB3 LYS A 107 -8.640 6.187 13.532 1.00 1.09 H new ATOM 0 HG2 LYS A 107 -10.408 6.835 12.032 1.00 1.56 H new ATOM 0 HG3 LYS A 107 -9.650 5.402 11.367 1.00 1.56 H new ATOM 0 HD2 LYS A 107 -11.468 4.003 12.402 1.00 1.87 H new ATOM 0 HD3 LYS A 107 -12.243 5.471 12.966 1.00 1.87 H new ATOM 0 HE2 LYS A 107 -13.375 5.016 10.958 1.00 1.81 H new ATOM 0 HE3 LYS A 107 -12.209 6.236 10.485 1.00 1.81 H new ATOM 0 HZ1 LYS A 107 -11.396 4.831 9.001 1.00 2.29 H new ATOM 0 HZ2 LYS A 107 -10.982 3.725 10.222 1.00 2.29 H new ATOM 0 HZ3 LYS A 107 -12.507 3.639 9.480 1.00 2.29 H new ATOM 1688 N SER A 108 -8.552 2.478 12.039 1.00 0.80 N ATOM 1689 CA SER A 108 -7.791 1.900 10.953 1.00 0.69 C ATOM 1690 C SER A 108 -8.430 2.244 9.615 1.00 0.60 C ATOM 1691 O SER A 108 -9.657 2.265 9.489 1.00 0.74 O ATOM 1692 CB SER A 108 -7.718 0.387 11.137 1.00 0.78 C ATOM 1693 OG SER A 108 -7.318 0.061 12.458 1.00 1.43 O ATOM 0 H SER A 108 -9.352 1.919 12.336 1.00 0.80 H new ATOM 0 HA SER A 108 -6.782 2.311 10.962 1.00 0.69 H new ATOM 0 HB2 SER A 108 -8.691 -0.057 10.926 1.00 0.78 H new ATOM 0 HB3 SER A 108 -7.012 -0.037 10.423 1.00 0.78 H new ATOM 0 HG SER A 108 -6.685 0.734 12.784 1.00 1.43 H new ATOM 1699 N ILE A 109 -7.596 2.560 8.639 1.00 0.44 N ATOM 1700 CA ILE A 109 -8.057 2.802 7.285 1.00 0.39 C ATOM 1701 C ILE A 109 -7.592 1.654 6.406 1.00 0.35 C ATOM 1702 O ILE A 109 -6.389 1.452 6.237 1.00 0.34 O ATOM 1703 CB ILE A 109 -7.485 4.106 6.698 1.00 0.37 C ATOM 1704 CG1 ILE A 109 -7.326 5.177 7.774 1.00 0.41 C ATOM 1705 CG2 ILE A 109 -8.386 4.618 5.585 1.00 0.40 C ATOM 1706 CD1 ILE A 109 -6.345 6.252 7.379 1.00 0.42 C ATOM 0 H ILE A 109 -6.588 2.655 8.762 1.00 0.44 H new ATOM 0 HA ILE A 109 -9.143 2.885 7.314 1.00 0.39 H new ATOM 0 HB ILE A 109 -6.498 3.886 6.291 1.00 0.37 H new ATOM 0 HG12 ILE A 109 -8.296 5.631 7.976 1.00 0.41 H new ATOM 0 HG13 ILE A 109 -6.994 4.710 8.701 1.00 0.41 H new ATOM 0 HG21 ILE A 109 -7.972 5.540 5.177 1.00 0.40 H new ATOM 0 HG22 ILE A 109 -8.451 3.869 4.796 1.00 0.40 H new ATOM 0 HG23 ILE A 109 -9.382 4.812 5.983 1.00 0.40 H new ATOM 0 HD11 ILE A 109 -6.270 6.988 8.180 1.00 0.42 H new ATOM 0 HD12 ILE A 109 -5.366 5.805 7.204 1.00 0.42 H new ATOM 0 HD13 ILE A 109 -6.689 6.741 6.468 1.00 0.42 H new ATOM 1718 N LEU A 110 -8.528 0.896 5.868 1.00 0.36 N ATOM 1719 CA LEU A 110 -8.178 -0.258 5.059 1.00 0.31 C ATOM 1720 C LEU A 110 -8.402 0.025 3.577 1.00 0.31 C ATOM 1721 O LEU A 110 -9.523 0.300 3.144 1.00 0.37 O ATOM 1722 CB LEU A 110 -8.988 -1.483 5.492 1.00 0.34 C ATOM 1723 CG LEU A 110 -8.710 -1.985 6.912 1.00 0.43 C ATOM 1724 CD1 LEU A 110 -9.635 -3.140 7.260 1.00 0.65 C ATOM 1725 CD2 LEU A 110 -7.256 -2.414 7.056 1.00 0.83 C ATOM 0 H LEU A 110 -9.530 1.056 5.975 1.00 0.36 H new ATOM 0 HA LEU A 110 -7.119 -0.466 5.211 1.00 0.31 H new ATOM 0 HB2 LEU A 110 -10.048 -1.244 5.410 1.00 0.34 H new ATOM 0 HB3 LEU A 110 -8.789 -2.295 4.792 1.00 0.34 H new ATOM 0 HG LEU A 110 -8.899 -1.165 7.605 1.00 0.43 H new ATOM 0 HD11 LEU A 110 -9.423 -3.484 8.272 1.00 0.65 H new ATOM 0 HD12 LEU A 110 -10.671 -2.807 7.199 1.00 0.65 H new ATOM 0 HD13 LEU A 110 -9.475 -3.958 6.558 1.00 0.65 H new ATOM 0 HD21 LEU A 110 -7.080 -2.767 8.072 1.00 0.83 H new ATOM 0 HD22 LEU A 110 -7.042 -3.217 6.351 1.00 0.83 H new ATOM 0 HD23 LEU A 110 -6.604 -1.565 6.849 1.00 0.83 H new ATOM 1737 N LEU A 111 -7.324 -0.034 2.810 1.00 0.28 N ATOM 1738 CA LEU A 111 -7.381 0.209 1.362 1.00 0.30 C ATOM 1739 C LEU A 111 -6.401 -0.700 0.623 1.00 0.30 C ATOM 1740 O LEU A 111 -5.317 -0.950 1.103 1.00 0.61 O ATOM 1741 CB LEU A 111 -7.055 1.679 1.053 1.00 0.52 C ATOM 1742 CG LEU A 111 -5.921 2.276 1.888 1.00 0.40 C ATOM 1743 CD1 LEU A 111 -4.967 3.095 1.035 1.00 0.48 C ATOM 1744 CD2 LEU A 111 -6.486 3.144 2.992 1.00 0.62 C ATOM 0 H LEU A 111 -6.391 -0.249 3.161 1.00 0.28 H new ATOM 0 HA LEU A 111 -8.392 -0.013 1.021 1.00 0.30 H new ATOM 0 HB2 LEU A 111 -6.794 1.764 -0.002 1.00 0.52 H new ATOM 0 HB3 LEU A 111 -7.954 2.276 1.208 1.00 0.52 H new ATOM 0 HG LEU A 111 -5.362 1.447 2.322 1.00 0.40 H new ATOM 0 HD11 LEU A 111 -4.175 3.503 1.664 1.00 0.48 H new ATOM 0 HD12 LEU A 111 -4.529 2.459 0.266 1.00 0.48 H new ATOM 0 HD13 LEU A 111 -5.512 3.912 0.562 1.00 0.48 H new ATOM 0 HD21 LEU A 111 -5.669 3.563 3.579 1.00 0.62 H new ATOM 0 HD22 LEU A 111 -7.071 3.953 2.555 1.00 0.62 H new ATOM 0 HD23 LEU A 111 -7.125 2.542 3.638 1.00 0.62 H new ATOM 1756 N PRO A 112 -6.773 -1.229 -0.547 1.00 0.34 N ATOM 1757 CA PRO A 112 -5.858 -2.031 -1.367 1.00 0.33 C ATOM 1758 C PRO A 112 -4.704 -1.185 -1.903 1.00 0.32 C ATOM 1759 O PRO A 112 -4.910 -0.060 -2.363 1.00 0.33 O ATOM 1760 CB PRO A 112 -6.737 -2.525 -2.525 1.00 0.35 C ATOM 1761 CG PRO A 112 -8.143 -2.291 -2.083 1.00 0.81 C ATOM 1762 CD PRO A 112 -8.097 -1.106 -1.164 1.00 0.64 C ATOM 0 HA PRO A 112 -5.400 -2.841 -0.799 1.00 0.33 H new ATOM 0 HB2 PRO A 112 -6.518 -1.981 -3.444 1.00 0.35 H new ATOM 0 HB3 PRO A 112 -6.560 -3.581 -2.730 1.00 0.35 H new ATOM 0 HG2 PRO A 112 -8.793 -2.098 -2.936 1.00 0.81 H new ATOM 0 HG3 PRO A 112 -8.542 -3.167 -1.571 1.00 0.81 H new ATOM 0 HD2 PRO A 112 -8.205 -0.167 -1.708 1.00 0.64 H new ATOM 0 HD3 PRO A 112 -8.894 -1.138 -0.422 1.00 0.64 H new ATOM 1770 N ILE A 113 -3.494 -1.741 -1.850 1.00 0.33 N ATOM 1771 CA ILE A 113 -2.285 -1.034 -2.286 1.00 0.29 C ATOM 1772 C ILE A 113 -2.329 -0.737 -3.794 1.00 0.30 C ATOM 1773 O ILE A 113 -1.504 0.011 -4.321 1.00 0.28 O ATOM 1774 CB ILE A 113 -1.014 -1.859 -1.943 1.00 0.30 C ATOM 1775 CG1 ILE A 113 0.257 -1.025 -2.119 1.00 0.26 C ATOM 1776 CG2 ILE A 113 -0.939 -3.121 -2.791 1.00 0.33 C ATOM 1777 CD1 ILE A 113 0.438 0.031 -1.051 1.00 0.25 C ATOM 0 H ILE A 113 -3.322 -2.686 -1.507 1.00 0.33 H new ATOM 0 HA ILE A 113 -2.245 -0.085 -1.751 1.00 0.29 H new ATOM 0 HB ILE A 113 -1.086 -2.149 -0.895 1.00 0.30 H new ATOM 0 HG12 ILE A 113 1.122 -1.689 -2.113 1.00 0.26 H new ATOM 0 HG13 ILE A 113 0.233 -0.542 -3.096 1.00 0.26 H new ATOM 0 HG21 ILE A 113 -0.040 -3.681 -2.532 1.00 0.33 H new ATOM 0 HG22 ILE A 113 -1.818 -3.738 -2.603 1.00 0.33 H new ATOM 0 HG23 ILE A 113 -0.905 -2.849 -3.846 1.00 0.33 H new ATOM 0 HD11 ILE A 113 1.359 0.584 -1.238 1.00 0.25 H new ATOM 0 HD12 ILE A 113 -0.408 0.718 -1.071 1.00 0.25 H new ATOM 0 HD13 ILE A 113 0.494 -0.447 -0.073 1.00 0.25 H new ATOM 1789 N GLU A 114 -3.301 -1.345 -4.472 1.00 0.36 N ATOM 1790 CA GLU A 114 -3.541 -1.139 -5.902 1.00 0.42 C ATOM 1791 C GLU A 114 -3.605 0.349 -6.270 1.00 0.33 C ATOM 1792 O GLU A 114 -3.154 0.751 -7.346 1.00 0.41 O ATOM 1793 CB GLU A 114 -4.851 -1.835 -6.286 1.00 0.57 C ATOM 1794 CG GLU A 114 -5.244 -1.701 -7.742 1.00 0.72 C ATOM 1795 CD GLU A 114 -6.545 -2.414 -8.035 1.00 1.47 C ATOM 1796 OE1 GLU A 114 -6.761 -3.511 -7.482 1.00 1.87 O ATOM 1797 OE2 GLU A 114 -7.346 -1.893 -8.834 1.00 1.90 O ATOM 0 H GLU A 114 -3.952 -2.002 -4.041 1.00 0.36 H new ATOM 0 HA GLU A 114 -2.705 -1.567 -6.456 1.00 0.42 H new ATOM 0 HB2 GLU A 114 -4.766 -2.894 -6.044 1.00 0.57 H new ATOM 0 HB3 GLU A 114 -5.654 -1.430 -5.670 1.00 0.57 H new ATOM 0 HG2 GLU A 114 -5.341 -0.646 -7.998 1.00 0.72 H new ATOM 0 HG3 GLU A 114 -4.454 -2.110 -8.372 1.00 0.72 H new ATOM 1804 N LEU A 115 -4.142 1.163 -5.369 1.00 0.24 N ATOM 1805 CA LEU A 115 -4.350 2.582 -5.644 1.00 0.24 C ATOM 1806 C LEU A 115 -3.358 3.458 -4.886 1.00 0.21 C ATOM 1807 O LEU A 115 -3.620 4.638 -4.639 1.00 0.29 O ATOM 1808 CB LEU A 115 -5.779 2.977 -5.275 1.00 0.30 C ATOM 1809 CG LEU A 115 -6.861 2.384 -6.169 1.00 0.39 C ATOM 1810 CD1 LEU A 115 -8.232 2.688 -5.600 1.00 0.93 C ATOM 1811 CD2 LEU A 115 -6.737 2.934 -7.580 1.00 1.03 C ATOM 0 H LEU A 115 -4.442 0.866 -4.441 1.00 0.24 H new ATOM 0 HA LEU A 115 -4.186 2.742 -6.710 1.00 0.24 H new ATOM 0 HB2 LEU A 115 -5.971 2.671 -4.246 1.00 0.30 H new ATOM 0 HB3 LEU A 115 -5.859 4.064 -5.305 1.00 0.30 H new ATOM 0 HG LEU A 115 -6.732 1.302 -6.207 1.00 0.39 H new ATOM 0 HD11 LEU A 115 -8.998 2.260 -6.247 1.00 0.93 H new ATOM 0 HD12 LEU A 115 -8.316 2.256 -4.603 1.00 0.93 H new ATOM 0 HD13 LEU A 115 -8.370 3.768 -5.540 1.00 0.93 H new ATOM 0 HD21 LEU A 115 -7.516 2.502 -8.209 1.00 1.03 H new ATOM 0 HD22 LEU A 115 -6.847 4.018 -7.559 1.00 1.03 H new ATOM 0 HD23 LEU A 115 -5.759 2.677 -7.986 1.00 1.03 H new ATOM 1823 N CYS A 116 -2.222 2.891 -4.517 1.00 0.24 N ATOM 1824 CA CYS A 116 -1.222 3.641 -3.776 1.00 0.23 C ATOM 1825 C CYS A 116 0.050 3.810 -4.589 1.00 0.22 C ATOM 1826 O CYS A 116 0.421 2.942 -5.381 1.00 0.25 O ATOM 1827 CB CYS A 116 -0.909 2.946 -2.452 1.00 0.25 C ATOM 1828 SG CYS A 116 -2.375 2.564 -1.470 1.00 0.37 S ATOM 0 H CYS A 116 -1.970 1.923 -4.716 1.00 0.24 H new ATOM 0 HA CYS A 116 -1.630 4.631 -3.571 1.00 0.23 H new ATOM 0 HB2 CYS A 116 -0.368 2.022 -2.656 1.00 0.25 H new ATOM 0 HB3 CYS A 116 -0.245 3.582 -1.866 1.00 0.25 H new ATOM 0 HG CYS A 116 -2.204 2.987 -0.253 1.00 0.37 H new ATOM 1834 N SER A 117 0.692 4.949 -4.412 1.00 0.24 N ATOM 1835 CA SER A 117 1.987 5.199 -5.006 1.00 0.24 C ATOM 1836 C SER A 117 3.000 5.455 -3.897 1.00 0.24 C ATOM 1837 O SER A 117 2.684 6.089 -2.898 1.00 0.25 O ATOM 1838 CB SER A 117 1.919 6.401 -5.953 1.00 0.29 C ATOM 1839 OG SER A 117 0.834 6.281 -6.859 1.00 0.63 O ATOM 0 H SER A 117 0.331 5.723 -3.854 1.00 0.24 H new ATOM 0 HA SER A 117 2.294 4.329 -5.586 1.00 0.24 H new ATOM 0 HB2 SER A 117 1.812 7.318 -5.373 1.00 0.29 H new ATOM 0 HB3 SER A 117 2.853 6.482 -6.509 1.00 0.29 H new ATOM 0 HG SER A 117 0.814 7.062 -7.450 1.00 0.63 H new ATOM 1845 N ILE A 118 4.200 4.955 -4.061 1.00 0.26 N ATOM 1846 CA ILE A 118 5.231 5.115 -3.059 1.00 0.28 C ATOM 1847 C ILE A 118 6.141 6.289 -3.430 1.00 0.34 C ATOM 1848 O ILE A 118 6.424 6.523 -4.607 1.00 0.36 O ATOM 1849 CB ILE A 118 6.051 3.810 -2.889 1.00 0.29 C ATOM 1850 CG1 ILE A 118 7.128 3.994 -1.824 1.00 0.29 C ATOM 1851 CG2 ILE A 118 6.674 3.382 -4.212 1.00 0.39 C ATOM 1852 CD1 ILE A 118 7.823 2.712 -1.416 1.00 0.31 C ATOM 0 H ILE A 118 4.491 4.429 -4.885 1.00 0.26 H new ATOM 0 HA ILE A 118 4.755 5.330 -2.102 1.00 0.28 H new ATOM 0 HB ILE A 118 5.372 3.021 -2.565 1.00 0.29 H new ATOM 0 HG12 ILE A 118 7.874 4.696 -2.196 1.00 0.29 H new ATOM 0 HG13 ILE A 118 6.676 4.446 -0.941 1.00 0.29 H new ATOM 0 HG21 ILE A 118 7.244 2.464 -4.066 1.00 0.39 H new ATOM 0 HG22 ILE A 118 5.887 3.207 -4.945 1.00 0.39 H new ATOM 0 HG23 ILE A 118 7.338 4.168 -4.573 1.00 0.39 H new ATOM 0 HD11 ILE A 118 8.573 2.931 -0.656 1.00 0.31 H new ATOM 0 HD12 ILE A 118 7.090 2.014 -1.012 1.00 0.31 H new ATOM 0 HD13 ILE A 118 8.307 2.268 -2.286 1.00 0.31 H new ATOM 1864 N GLU A 119 6.565 7.039 -2.423 1.00 0.41 N ATOM 1865 CA GLU A 119 7.363 8.238 -2.631 1.00 0.50 C ATOM 1866 C GLU A 119 8.791 7.855 -3.006 1.00 0.55 C ATOM 1867 O GLU A 119 9.524 7.293 -2.187 1.00 0.56 O ATOM 1868 CB GLU A 119 7.353 9.076 -1.354 1.00 0.60 C ATOM 1869 CG GLU A 119 8.049 10.418 -1.483 1.00 1.23 C ATOM 1870 CD GLU A 119 8.084 11.168 -0.168 1.00 1.69 C ATOM 1871 OE1 GLU A 119 7.013 11.581 0.314 1.00 2.02 O ATOM 1872 OE2 GLU A 119 9.188 11.371 0.377 1.00 2.46 O ATOM 0 H GLU A 119 6.367 6.835 -1.444 1.00 0.41 H new ATOM 0 HA GLU A 119 6.939 8.824 -3.447 1.00 0.50 H new ATOM 0 HB2 GLU A 119 6.319 9.243 -1.051 1.00 0.60 H new ATOM 0 HB3 GLU A 119 7.831 8.507 -0.556 1.00 0.60 H new ATOM 0 HG2 GLU A 119 9.067 10.265 -1.840 1.00 1.23 H new ATOM 0 HG3 GLU A 119 7.536 11.022 -2.231 1.00 1.23 H new ATOM 1879 N GLU A 120 9.186 8.171 -4.239 1.00 0.68 N ATOM 1880 CA GLU A 120 10.481 7.738 -4.764 1.00 0.84 C ATOM 1881 C GLU A 120 11.643 8.353 -3.990 1.00 0.98 C ATOM 1882 O GLU A 120 12.745 7.801 -3.977 1.00 1.08 O ATOM 1883 CB GLU A 120 10.622 8.091 -6.244 1.00 1.10 C ATOM 1884 CG GLU A 120 10.625 9.582 -6.512 1.00 1.26 C ATOM 1885 CD GLU A 120 11.112 9.916 -7.902 1.00 2.16 C ATOM 1886 OE1 GLU A 120 10.365 9.681 -8.872 1.00 2.92 O ATOM 1887 OE2 GLU A 120 12.254 10.405 -8.028 1.00 2.36 O ATOM 0 H GLU A 120 8.630 8.724 -4.891 1.00 0.68 H new ATOM 0 HA GLU A 120 10.517 6.655 -4.645 1.00 0.84 H new ATOM 0 HB2 GLU A 120 11.547 7.659 -6.626 1.00 1.10 H new ATOM 0 HB3 GLU A 120 9.804 7.632 -6.798 1.00 1.10 H new ATOM 0 HG2 GLU A 120 9.617 9.974 -6.379 1.00 1.26 H new ATOM 0 HG3 GLU A 120 11.260 10.079 -5.778 1.00 1.26 H new