USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 823 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 109 MET CE :methyl -150:sc= -1.06 (180deg=-3.11!) USER MOD Set 1.2: A 113 MET CE :methyl -162:sc= -0.224 (180deg=-0.953) USER MOD Set 2.1: A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 17 SER OG : rot -100:sc= 0.156 USER MOD Set 3.2: A 18 ASN : amide:sc= 0 X(o=0.16,f=0.16) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0.0967 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 75:sc= 0.676 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.83 K(o=-1.8,f=-3.3) USER MOD Single : A 41 MET CE :methyl -164:sc= -0.0103 (180deg=-0.234) USER MOD Single : A 43 ASN : amide:sc= -1.38 K(o=-1.4,f=-1.9) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -79:sc= 1.22 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.464 USER MOD Single : A 59 GLN : amide:sc= -0.747 K(o=-0.75,f=-1.3) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.0547) USER MOD Single : A 76 SER OG : rot 180:sc= 0.00682 USER MOD Single : A 77 SER OG : rot 180:sc= 0.213 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 92:sc= 1.28 USER MOD Single : A 88 LYS NZ :NH3+ -134:sc= -0.617 (180deg=-2.57!) USER MOD Single : A 97 ASN : amide:sc= -0.054 K(o=-0.054,f=-1.2) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.175 USER MOD Single : A 108 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 110 TYR OH : rot 180:sc= -0.321 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD ----------------------------------------------------------------- ATOM 22 N LEU A 4 4.738 3.968 -4.283 1.00 35.33 N ATOM 23 CA LEU A 4 5.491 3.704 -5.504 1.00 21.35 C ATOM 24 C LEU A 4 6.096 2.305 -5.478 1.00 25.24 C ATOM 25 O LEU A 4 7.217 2.091 -5.941 1.00 34.35 O ATOM 26 CB LEU A 4 6.597 4.746 -5.680 1.00 51.01 C ATOM 27 CG LEU A 4 6.831 5.243 -7.108 1.00 11.51 C ATOM 28 CD1 LEU A 4 8.031 6.176 -7.158 1.00 33.35 C ATOM 29 CD2 LEU A 4 7.026 4.068 -8.056 1.00 44.44 C ATOM 0 HA LEU A 4 4.803 3.767 -6.347 1.00 21.35 H new ATOM 0 HB2 LEU A 4 6.362 5.605 -5.052 1.00 51.01 H new ATOM 0 HB3 LEU A 4 7.530 4.323 -5.307 1.00 51.01 H new ATOM 0 HG LEU A 4 5.950 5.800 -7.428 1.00 11.51 H new ATOM 0 HD11 LEU A 4 8.182 6.520 -8.181 1.00 33.35 H new ATOM 0 HD12 LEU A 4 7.852 7.034 -6.510 1.00 33.35 H new ATOM 0 HD13 LEU A 4 8.920 5.644 -6.819 1.00 33.35 H new ATOM 0 HD21 LEU A 4 7.191 4.440 -9.067 1.00 44.44 H new ATOM 0 HD22 LEU A 4 7.890 3.484 -7.739 1.00 44.44 H new ATOM 0 HD23 LEU A 4 6.137 3.438 -8.042 1.00 44.44 H new ATOM 41 N LYS A 5 5.346 1.352 -4.936 1.00 3.22 N ATOM 42 CA LYS A 5 5.805 -0.030 -4.852 1.00 14.32 C ATOM 43 C LYS A 5 6.276 -0.530 -6.214 1.00 23.15 C ATOM 44 O LYS A 5 5.511 -0.546 -7.178 1.00 23.14 O ATOM 45 CB LYS A 5 4.685 -0.930 -4.326 1.00 14.44 C ATOM 46 CG LYS A 5 4.968 -1.515 -2.953 1.00 72.04 C ATOM 47 CD LYS A 5 5.830 -2.763 -3.045 1.00 55.51 C ATOM 48 CE LYS A 5 6.395 -3.152 -1.687 1.00 12.41 C ATOM 49 NZ LYS A 5 5.691 -4.331 -1.110 1.00 72.12 N ATOM 0 H LYS A 5 4.416 1.511 -4.548 1.00 3.22 H new ATOM 0 HA LYS A 5 6.647 -0.066 -4.160 1.00 14.32 H new ATOM 0 HB2 LYS A 5 3.759 -0.356 -4.283 1.00 14.44 H new ATOM 0 HB3 LYS A 5 4.523 -1.744 -5.032 1.00 14.44 H new ATOM 0 HG2 LYS A 5 5.470 -0.770 -2.336 1.00 72.04 H new ATOM 0 HG3 LYS A 5 4.027 -1.757 -2.459 1.00 72.04 H new ATOM 0 HD2 LYS A 5 5.238 -3.587 -3.443 1.00 55.51 H new ATOM 0 HD3 LYS A 5 6.648 -2.591 -3.745 1.00 55.51 H new ATOM 0 HE2 LYS A 5 7.457 -3.376 -1.786 1.00 12.41 H new ATOM 0 HE3 LYS A 5 6.310 -2.308 -1.003 1.00 12.41 H new ATOM 0 HZ1 LYS A 5 6.105 -4.564 -0.185 1.00 72.12 H new ATOM 0 HZ2 LYS A 5 4.682 -4.109 -0.991 1.00 72.12 H new ATOM 0 HZ3 LYS A 5 5.794 -5.144 -1.750 1.00 72.12 H new ATOM 63 N SER A 6 7.539 -0.939 -6.285 1.00 52.20 N ATOM 64 CA SER A 6 8.112 -1.437 -7.530 1.00 3.33 C ATOM 65 C SER A 6 7.321 -2.633 -8.051 1.00 35.32 C ATOM 66 O SER A 6 7.350 -2.938 -9.244 1.00 52.01 O ATOM 67 CB SER A 6 9.575 -1.832 -7.320 1.00 71.12 C ATOM 68 OG SER A 6 10.143 -1.124 -6.231 1.00 5.12 O ATOM 0 H SER A 6 8.185 -0.935 -5.495 1.00 52.20 H new ATOM 0 HA SER A 6 8.061 -0.639 -8.270 1.00 3.33 H new ATOM 0 HB2 SER A 6 9.643 -2.904 -7.136 1.00 71.12 H new ATOM 0 HB3 SER A 6 10.144 -1.628 -8.227 1.00 71.12 H new ATOM 0 HG SER A 6 11.078 -1.395 -6.116 1.00 5.12 H new ATOM 74 N ARG A 7 6.615 -3.306 -7.150 1.00 4.31 N ATOM 75 CA ARG A 7 5.816 -4.469 -7.518 1.00 62.14 C ATOM 76 C ARG A 7 4.584 -4.052 -8.315 1.00 11.42 C ATOM 77 O ARG A 7 4.435 -4.415 -9.482 1.00 62.33 O ATOM 78 CB ARG A 7 5.391 -5.239 -6.266 1.00 14.02 C ATOM 79 CG ARG A 7 6.540 -5.542 -5.318 1.00 10.24 C ATOM 80 CD ARG A 7 7.600 -6.404 -5.986 1.00 12.43 C ATOM 81 NE ARG A 7 7.090 -7.728 -6.334 1.00 71.34 N ATOM 82 CZ ARG A 7 6.944 -8.713 -5.455 1.00 24.42 C ATOM 83 NH1 ARG A 7 7.268 -8.526 -4.184 1.00 51.55 N ATOM 84 NH2 ARG A 7 6.474 -9.890 -5.848 1.00 61.21 N ATOM 0 H ARG A 7 6.579 -3.066 -6.159 1.00 4.31 H new ATOM 0 HA ARG A 7 6.430 -5.117 -8.144 1.00 62.14 H new ATOM 0 HB2 ARG A 7 4.635 -4.662 -5.734 1.00 14.02 H new ATOM 0 HB3 ARG A 7 4.923 -6.176 -6.567 1.00 14.02 H new ATOM 0 HG2 ARG A 7 6.989 -4.609 -4.979 1.00 10.24 H new ATOM 0 HG3 ARG A 7 6.159 -6.052 -4.434 1.00 10.24 H new ATOM 0 HD2 ARG A 7 7.958 -5.905 -6.887 1.00 12.43 H new ATOM 0 HD3 ARG A 7 8.455 -6.509 -5.318 1.00 12.43 H new ATOM 0 HE ARG A 7 6.832 -7.906 -7.305 1.00 71.34 H new ATOM 0 HH11 ARG A 7 7.631 -7.623 -3.878 1.00 51.55 H new ATOM 0 HH12 ARG A 7 7.155 -9.285 -3.512 1.00 51.55 H new ATOM 0 HH21 ARG A 7 6.225 -10.039 -6.826 1.00 61.21 H new ATOM 0 HH22 ARG A 7 6.362 -10.646 -5.172 1.00 61.21 H new ATOM 98 N ASP A 8 3.703 -3.290 -7.677 1.00 14.41 N ATOM 99 CA ASP A 8 2.483 -2.823 -8.325 1.00 32.03 C ATOM 100 C ASP A 8 2.806 -1.838 -9.444 1.00 62.00 C ATOM 101 O ASP A 8 2.016 -1.654 -10.370 1.00 63.12 O ATOM 102 CB ASP A 8 1.555 -2.167 -7.303 1.00 50.13 C ATOM 103 CG ASP A 8 1.456 -2.962 -6.016 1.00 32.34 C ATOM 104 OD1 ASP A 8 2.196 -2.642 -5.062 1.00 42.41 O ATOM 105 OD2 ASP A 8 0.638 -3.904 -5.963 1.00 24.11 O ATOM 0 H ASP A 8 3.811 -2.982 -6.711 1.00 14.41 H new ATOM 0 HA ASP A 8 1.978 -3.686 -8.759 1.00 32.03 H new ATOM 0 HB2 ASP A 8 1.917 -1.163 -7.080 1.00 50.13 H new ATOM 0 HB3 ASP A 8 0.561 -2.058 -7.737 1.00 50.13 H new ATOM 110 N TRP A 9 3.970 -1.206 -9.351 1.00 61.31 N ATOM 111 CA TRP A 9 4.397 -0.238 -10.354 1.00 34.52 C ATOM 112 C TRP A 9 4.698 -0.926 -11.682 1.00 51.30 C ATOM 113 O TRP A 9 4.063 -0.642 -12.698 1.00 44.25 O ATOM 114 CB TRP A 9 5.633 0.521 -9.868 1.00 34.35 C ATOM 115 CG TRP A 9 6.133 1.535 -10.853 1.00 43.13 C ATOM 116 CD1 TRP A 9 7.390 1.612 -11.382 1.00 72.12 C ATOM 117 CD2 TRP A 9 5.388 2.615 -11.423 1.00 61.44 C ATOM 118 NE1 TRP A 9 7.470 2.676 -12.248 1.00 42.24 N ATOM 119 CE2 TRP A 9 6.256 3.307 -12.291 1.00 33.32 C ATOM 120 CE3 TRP A 9 4.073 3.066 -11.288 1.00 14.42 C ATOM 121 CZ2 TRP A 9 5.848 4.424 -13.017 1.00 22.11 C ATOM 122 CZ3 TRP A 9 3.669 4.175 -12.008 1.00 22.25 C ATOM 123 CH2 TRP A 9 4.555 4.843 -12.864 1.00 11.54 C ATOM 0 H TRP A 9 4.635 -1.347 -8.591 1.00 61.31 H new ATOM 0 HA TRP A 9 3.582 0.470 -10.509 1.00 34.52 H new ATOM 0 HB2 TRP A 9 5.397 1.022 -8.929 1.00 34.35 H new ATOM 0 HB3 TRP A 9 6.429 -0.193 -9.657 1.00 34.35 H new ATOM 0 HD1 TRP A 9 8.201 0.937 -11.153 1.00 72.12 H new ATOM 0 HE1 TRP A 9 8.300 2.951 -12.774 1.00 42.24 H new ATOM 0 HE3 TRP A 9 3.383 2.557 -10.632 1.00 14.42 H new ATOM 0 HZ2 TRP A 9 6.529 4.941 -13.677 1.00 22.11 H new ATOM 0 HZ3 TRP A 9 2.655 4.532 -11.909 1.00 22.25 H new ATOM 0 HH2 TRP A 9 4.210 5.706 -13.414 1.00 11.54 H new ATOM 134 N LYS A 10 5.668 -1.833 -11.665 1.00 25.43 N ATOM 135 CA LYS A 10 6.053 -2.564 -12.867 1.00 22.23 C ATOM 136 C LYS A 10 4.883 -3.382 -13.405 1.00 74.25 C ATOM 137 O LYS A 10 4.743 -3.561 -14.614 1.00 12.20 O ATOM 138 CB LYS A 10 7.239 -3.485 -12.572 1.00 22.40 C ATOM 139 CG LYS A 10 6.882 -4.677 -11.700 1.00 74.44 C ATOM 140 CD LYS A 10 8.123 -5.342 -11.130 1.00 74.23 C ATOM 141 CE LYS A 10 8.767 -6.279 -12.140 1.00 31.43 C ATOM 142 NZ LYS A 10 10.218 -5.996 -12.312 1.00 24.43 N ATOM 0 H LYS A 10 6.202 -2.080 -10.832 1.00 25.43 H new ATOM 0 HA LYS A 10 6.345 -1.837 -13.625 1.00 22.23 H new ATOM 0 HB2 LYS A 10 7.651 -3.846 -13.514 1.00 22.40 H new ATOM 0 HB3 LYS A 10 8.023 -2.908 -12.081 1.00 22.40 H new ATOM 0 HG2 LYS A 10 6.235 -4.352 -10.885 1.00 74.44 H new ATOM 0 HG3 LYS A 10 6.317 -5.401 -12.286 1.00 74.44 H new ATOM 0 HD2 LYS A 10 8.841 -4.579 -10.831 1.00 74.23 H new ATOM 0 HD3 LYS A 10 7.858 -5.900 -10.232 1.00 74.23 H new ATOM 0 HE2 LYS A 10 8.634 -7.311 -11.814 1.00 31.43 H new ATOM 0 HE3 LYS A 10 8.261 -6.181 -13.101 1.00 31.43 H new ATOM 0 HZ1 LYS A 10 10.620 -6.656 -13.008 1.00 24.43 H new ATOM 0 HZ2 LYS A 10 10.344 -5.020 -12.647 1.00 24.43 H new ATOM 0 HZ3 LYS A 10 10.705 -6.115 -11.401 1.00 24.43 H new ATOM 156 N MET A 11 4.045 -3.873 -12.498 1.00 44.44 N ATOM 157 CA MET A 11 2.885 -4.670 -12.882 1.00 60.42 C ATOM 158 C MET A 11 1.822 -3.797 -13.542 1.00 2.55 C ATOM 159 O MET A 11 1.400 -4.062 -14.667 1.00 10.02 O ATOM 160 CB MET A 11 2.296 -5.375 -11.659 1.00 64.44 C ATOM 161 CG MET A 11 2.803 -6.796 -11.475 1.00 4.13 C ATOM 162 SD MET A 11 2.710 -7.351 -9.761 1.00 71.44 S ATOM 163 CE MET A 11 3.017 -9.104 -9.955 1.00 4.03 C ATOM 0 H MET A 11 4.147 -3.733 -11.493 1.00 44.44 H new ATOM 0 HA MET A 11 3.212 -5.421 -13.601 1.00 60.42 H new ATOM 0 HB2 MET A 11 2.532 -4.795 -10.767 1.00 64.44 H new ATOM 0 HB3 MET A 11 1.210 -5.394 -11.749 1.00 64.44 H new ATOM 0 HG2 MET A 11 2.220 -7.470 -12.103 1.00 4.13 H new ATOM 0 HG3 MET A 11 3.836 -6.856 -11.817 1.00 4.13 H new ATOM 0 HE1 MET A 11 2.991 -9.588 -8.979 1.00 4.03 H new ATOM 0 HE2 MET A 11 2.250 -9.539 -10.596 1.00 4.03 H new ATOM 0 HE3 MET A 11 3.997 -9.254 -10.409 1.00 4.03 H new ATOM 173 N ALA A 12 1.391 -2.759 -12.833 1.00 65.33 N ATOM 174 CA ALA A 12 0.379 -1.848 -13.352 1.00 73.15 C ATOM 175 C ALA A 12 0.810 -1.249 -14.686 1.00 74.42 C ATOM 176 O ALA A 12 0.039 -1.231 -15.646 1.00 33.43 O ATOM 177 CB ALA A 12 0.096 -0.745 -12.342 1.00 15.01 C ATOM 0 H ALA A 12 1.727 -2.528 -11.898 1.00 65.33 H new ATOM 0 HA ALA A 12 -0.535 -2.417 -13.519 1.00 73.15 H new ATOM 0 HB1 ALA A 12 -0.662 -0.071 -12.742 1.00 15.01 H new ATOM 0 HB2 ALA A 12 -0.265 -1.186 -11.413 1.00 15.01 H new ATOM 0 HB3 ALA A 12 1.012 -0.187 -12.147 1.00 15.01 H new ATOM 183 N ILE A 13 2.044 -0.760 -14.739 1.00 72.10 N ATOM 184 CA ILE A 13 2.577 -0.161 -15.956 1.00 33.24 C ATOM 185 C ILE A 13 2.697 -1.195 -17.070 1.00 64.10 C ATOM 186 O ILE A 13 2.539 -0.875 -18.249 1.00 22.02 O ATOM 187 CB ILE A 13 3.956 0.478 -15.712 1.00 64.12 C ATOM 188 CG1 ILE A 13 3.842 1.620 -14.700 1.00 23.20 C ATOM 189 CG2 ILE A 13 4.545 0.981 -17.021 1.00 22.40 C ATOM 190 CD1 ILE A 13 3.027 2.791 -15.199 1.00 73.44 C ATOM 0 H ILE A 13 2.694 -0.767 -13.953 1.00 72.10 H new ATOM 0 HA ILE A 13 1.875 0.616 -16.259 1.00 33.24 H new ATOM 0 HB ILE A 13 4.624 -0.280 -15.302 1.00 64.12 H new ATOM 0 HG12 ILE A 13 3.392 1.239 -13.784 1.00 23.20 H new ATOM 0 HG13 ILE A 13 4.843 1.968 -14.443 1.00 23.20 H new ATOM 0 HG21 ILE A 13 5.520 1.430 -16.832 1.00 22.40 H new ATOM 0 HG22 ILE A 13 4.658 0.147 -17.714 1.00 22.40 H new ATOM 0 HG23 ILE A 13 3.880 1.727 -17.456 1.00 22.40 H new ATOM 0 HD11 ILE A 13 2.989 3.562 -14.430 1.00 73.44 H new ATOM 0 HD12 ILE A 13 3.488 3.198 -16.099 1.00 73.44 H new ATOM 0 HD13 ILE A 13 2.015 2.458 -15.429 1.00 73.44 H new ATOM 202 N LYS A 14 2.977 -2.436 -16.690 1.00 12.43 N ATOM 203 CA LYS A 14 3.116 -3.520 -17.655 1.00 24.10 C ATOM 204 C LYS A 14 1.818 -3.729 -18.429 1.00 3.11 C ATOM 205 O LYS A 14 1.830 -3.866 -19.652 1.00 22.34 O ATOM 206 CB LYS A 14 3.513 -4.816 -16.944 1.00 30.33 C ATOM 207 CG LYS A 14 4.995 -5.132 -17.036 1.00 71.44 C ATOM 208 CD LYS A 14 5.330 -5.872 -18.320 1.00 72.24 C ATOM 209 CE LYS A 14 6.755 -6.404 -18.302 1.00 53.42 C ATOM 210 NZ LYS A 14 6.909 -7.606 -19.167 1.00 64.14 N ATOM 0 H LYS A 14 3.112 -2.717 -15.719 1.00 12.43 H new ATOM 0 HA LYS A 14 3.900 -3.246 -18.361 1.00 24.10 H new ATOM 0 HB2 LYS A 14 3.230 -4.745 -15.894 1.00 30.33 H new ATOM 0 HB3 LYS A 14 2.947 -5.643 -17.372 1.00 30.33 H new ATOM 0 HG2 LYS A 14 5.569 -4.206 -16.988 1.00 71.44 H new ATOM 0 HG3 LYS A 14 5.293 -5.736 -16.179 1.00 71.44 H new ATOM 0 HD2 LYS A 14 4.634 -6.699 -18.457 1.00 72.24 H new ATOM 0 HD3 LYS A 14 5.201 -5.203 -19.171 1.00 72.24 H new ATOM 0 HE2 LYS A 14 7.438 -5.624 -18.639 1.00 53.42 H new ATOM 0 HE3 LYS A 14 7.036 -6.654 -17.279 1.00 53.42 H new ATOM 0 HZ1 LYS A 14 7.894 -7.938 -19.128 1.00 64.14 H new ATOM 0 HZ2 LYS A 14 6.276 -8.359 -18.830 1.00 64.14 H new ATOM 0 HZ3 LYS A 14 6.665 -7.361 -20.148 1.00 64.14 H new ATOM 224 N ARG A 15 0.702 -3.751 -17.709 1.00 1.35 N ATOM 225 CA ARG A 15 -0.604 -3.943 -18.329 1.00 64.43 C ATOM 226 C ARG A 15 -0.977 -2.742 -19.193 1.00 64.04 C ATOM 227 O ARG A 15 -1.345 -2.894 -20.358 1.00 72.44 O ATOM 228 CB ARG A 15 -1.672 -4.166 -17.257 1.00 32.23 C ATOM 229 CG ARG A 15 -1.479 -5.447 -16.461 1.00 32.31 C ATOM 230 CD ARG A 15 -1.903 -6.669 -17.260 1.00 75.41 C ATOM 231 NE ARG A 15 -1.162 -7.864 -16.868 1.00 45.24 N ATOM 232 CZ ARG A 15 -1.354 -9.060 -17.412 1.00 50.31 C ATOM 233 NH1 ARG A 15 -2.260 -9.220 -18.367 1.00 14.52 N ATOM 234 NH2 ARG A 15 -0.639 -10.100 -17.001 1.00 32.44 N ATOM 0 H ARG A 15 0.675 -3.638 -16.696 1.00 1.35 H new ATOM 0 HA ARG A 15 -0.550 -4.825 -18.967 1.00 64.43 H new ATOM 0 HB2 ARG A 15 -1.669 -3.319 -16.572 1.00 32.23 H new ATOM 0 HB3 ARG A 15 -2.653 -4.188 -17.732 1.00 32.23 H new ATOM 0 HG2 ARG A 15 -0.432 -5.544 -16.174 1.00 32.31 H new ATOM 0 HG3 ARG A 15 -2.059 -5.395 -15.539 1.00 32.31 H new ATOM 0 HD2 ARG A 15 -2.970 -6.842 -17.119 1.00 75.41 H new ATOM 0 HD3 ARG A 15 -1.748 -6.479 -18.322 1.00 75.41 H new ATOM 0 HE ARG A 15 -0.458 -7.775 -16.136 1.00 45.24 H new ATOM 0 HH11 ARG A 15 -2.811 -8.423 -18.685 1.00 14.52 H new ATOM 0 HH12 ARG A 15 -2.405 -10.140 -18.783 1.00 14.52 H new ATOM 0 HH21 ARG A 15 0.059 -9.981 -16.267 1.00 32.44 H new ATOM 0 HH22 ARG A 15 -0.787 -11.018 -17.420 1.00 32.44 H new ATOM 248 N CYS A 16 -0.881 -1.551 -18.613 1.00 75.35 N ATOM 249 CA CYS A 16 -1.210 -0.323 -19.330 1.00 42.23 C ATOM 250 C CYS A 16 -0.239 -0.090 -20.483 1.00 51.21 C ATOM 251 O CYS A 16 -0.493 0.730 -21.365 1.00 12.32 O ATOM 252 CB CYS A 16 -1.183 0.872 -18.376 1.00 44.44 C ATOM 253 SG CYS A 16 -2.128 0.622 -16.854 1.00 52.24 S ATOM 0 H CYS A 16 -0.578 -1.409 -17.649 1.00 75.35 H new ATOM 0 HA CYS A 16 -2.214 -0.429 -19.740 1.00 42.23 H new ATOM 0 HB2 CYS A 16 -0.148 1.093 -18.116 1.00 44.44 H new ATOM 0 HB3 CYS A 16 -1.575 1.747 -18.895 1.00 44.44 H new ATOM 0 HG CYS A 16 -1.468 -0.166 -16.058 1.00 52.24 H new ATOM 259 N SER A 17 0.875 -0.815 -20.468 1.00 51.31 N ATOM 260 CA SER A 17 1.887 -0.684 -21.510 1.00 52.04 C ATOM 261 C SER A 17 1.297 -0.994 -22.882 1.00 73.21 C ATOM 262 O SER A 17 1.850 -0.604 -23.909 1.00 31.41 O ATOM 263 CB SER A 17 3.065 -1.618 -21.226 1.00 70.14 C ATOM 264 OG SER A 17 3.054 -2.733 -22.100 1.00 52.43 O ATOM 0 H SER A 17 1.100 -1.499 -19.746 1.00 51.31 H new ATOM 0 HA SER A 17 2.241 0.347 -21.511 1.00 52.04 H new ATOM 0 HB2 SER A 17 4.002 -1.072 -21.340 1.00 70.14 H new ATOM 0 HB3 SER A 17 3.020 -1.962 -20.193 1.00 70.14 H new ATOM 0 HG SER A 17 2.676 -3.509 -21.636 1.00 52.43 H new ATOM 270 N ASN A 18 0.169 -1.698 -22.890 1.00 61.03 N ATOM 271 CA ASN A 18 -0.497 -2.061 -24.135 1.00 63.51 C ATOM 272 C ASN A 18 -1.876 -1.415 -24.223 1.00 21.14 C ATOM 273 O ASN A 18 -2.836 -2.034 -24.683 1.00 22.51 O ATOM 274 CB ASN A 18 -0.625 -3.582 -24.245 1.00 53.45 C ATOM 275 CG ASN A 18 0.679 -4.245 -24.642 1.00 70.32 C ATOM 276 OD1 ASN A 18 1.045 -4.266 -25.817 1.00 64.23 O ATOM 277 ND2 ASN A 18 1.387 -4.792 -23.660 1.00 64.30 N ATOM 0 H ASN A 18 -0.302 -2.028 -22.048 1.00 61.03 H new ATOM 0 HA ASN A 18 0.110 -1.694 -24.963 1.00 63.51 H new ATOM 0 HB2 ASN A 18 -0.958 -3.986 -23.289 1.00 53.45 H new ATOM 0 HB3 ASN A 18 -1.392 -3.827 -24.979 1.00 53.45 H new ATOM 0 HD21 ASN A 18 2.273 -5.253 -23.866 1.00 64.30 H new ATOM 0 HD22 ASN A 18 1.045 -4.751 -22.700 1.00 64.30 H new ATOM 284 N VAL A 19 -1.967 -0.165 -23.780 1.00 54.31 N ATOM 285 CA VAL A 19 -3.229 0.566 -23.809 1.00 71.42 C ATOM 286 C VAL A 19 -3.222 1.630 -24.901 1.00 64.52 C ATOM 287 O VAL A 19 -2.197 2.262 -25.159 1.00 12.15 O ATOM 288 CB VAL A 19 -3.520 1.238 -22.454 1.00 21.11 C ATOM 289 CG1 VAL A 19 -2.620 2.448 -22.254 1.00 74.22 C ATOM 290 CG2 VAL A 19 -4.987 1.632 -22.360 1.00 43.13 C ATOM 0 H VAL A 19 -1.183 0.363 -23.397 1.00 54.31 H new ATOM 0 HA VAL A 19 -4.012 -0.162 -24.020 1.00 71.42 H new ATOM 0 HB VAL A 19 -3.308 0.523 -21.659 1.00 21.11 H new ATOM 0 HG11 VAL A 19 -2.840 2.910 -21.291 1.00 74.22 H new ATOM 0 HG12 VAL A 19 -1.577 2.133 -22.275 1.00 74.22 H new ATOM 0 HG13 VAL A 19 -2.798 3.169 -23.052 1.00 74.22 H new ATOM 0 HG21 VAL A 19 -5.176 2.105 -21.396 1.00 43.13 H new ATOM 0 HG22 VAL A 19 -5.228 2.331 -23.161 1.00 43.13 H new ATOM 0 HG23 VAL A 19 -5.610 0.742 -22.455 1.00 43.13 H new ATOM 300 N ALA A 20 -4.370 1.824 -25.539 1.00 11.25 N ATOM 301 CA ALA A 20 -4.498 2.813 -26.602 1.00 63.11 C ATOM 302 C ALA A 20 -4.946 4.161 -26.046 1.00 3.41 C ATOM 303 O ALA A 20 -5.637 4.226 -25.029 1.00 30.01 O ATOM 304 CB ALA A 20 -5.474 2.327 -27.662 1.00 0.02 C ATOM 0 H ALA A 20 -5.227 1.308 -25.338 1.00 11.25 H new ATOM 0 HA ALA A 20 -3.518 2.945 -27.061 1.00 63.11 H new ATOM 0 HB1 ALA A 20 -5.559 3.076 -28.449 1.00 0.02 H new ATOM 0 HB2 ALA A 20 -5.112 1.392 -28.089 1.00 0.02 H new ATOM 0 HB3 ALA A 20 -6.452 2.164 -27.209 1.00 0.02 H new ATOM 310 N VAL A 21 -4.547 5.235 -26.719 1.00 73.12 N ATOM 311 CA VAL A 21 -4.908 6.582 -26.293 1.00 52.23 C ATOM 312 C VAL A 21 -6.186 7.052 -26.979 1.00 2.23 C ATOM 313 O VAL A 21 -6.901 7.910 -26.463 1.00 30.02 O ATOM 314 CB VAL A 21 -3.780 7.587 -26.591 1.00 1.12 C ATOM 315 CG1 VAL A 21 -2.480 7.138 -25.942 1.00 10.40 C ATOM 316 CG2 VAL A 21 -3.603 7.760 -28.092 1.00 13.20 C ATOM 0 H VAL A 21 -3.973 5.199 -27.562 1.00 73.12 H new ATOM 0 HA VAL A 21 -5.071 6.539 -25.216 1.00 52.23 H new ATOM 0 HB VAL A 21 -4.056 8.552 -26.167 1.00 1.12 H new ATOM 0 HG11 VAL A 21 -1.694 7.860 -26.163 1.00 10.40 H new ATOM 0 HG12 VAL A 21 -2.617 7.070 -24.863 1.00 10.40 H new ATOM 0 HG13 VAL A 21 -2.196 6.161 -26.334 1.00 10.40 H new ATOM 0 HG21 VAL A 21 -2.802 8.474 -28.284 1.00 13.20 H new ATOM 0 HG22 VAL A 21 -3.349 6.800 -28.541 1.00 13.20 H new ATOM 0 HG23 VAL A 21 -4.531 8.131 -28.527 1.00 13.20 H new ATOM 396 N LYS A 28 -2.757 5.325 -31.266 1.00 13.23 N ATOM 397 CA LYS A 28 -1.480 5.119 -30.594 1.00 53.12 C ATOM 398 C LYS A 28 -1.687 4.582 -29.181 1.00 14.04 C ATOM 399 O LYS A 28 -2.821 4.376 -28.745 1.00 61.11 O ATOM 400 CB LYS A 28 -0.690 6.430 -30.541 1.00 12.41 C ATOM 401 CG LYS A 28 0.622 6.380 -31.303 1.00 53.34 C ATOM 402 CD LYS A 28 1.810 6.601 -30.381 1.00 22.25 C ATOM 403 CE LYS A 28 3.119 6.621 -31.156 1.00 41.54 C ATOM 404 NZ LYS A 28 4.280 6.272 -30.290 1.00 64.52 N ATOM 0 HA LYS A 28 -0.914 4.382 -31.164 1.00 53.12 H new ATOM 0 HB2 LYS A 28 -1.306 7.232 -30.947 1.00 12.41 H new ATOM 0 HB3 LYS A 28 -0.487 6.680 -29.500 1.00 12.41 H new ATOM 0 HG2 LYS A 28 0.720 5.414 -31.799 1.00 53.34 H new ATOM 0 HG3 LYS A 28 0.620 7.140 -32.084 1.00 53.34 H new ATOM 0 HD2 LYS A 28 1.687 7.543 -29.847 1.00 22.25 H new ATOM 0 HD3 LYS A 28 1.842 5.811 -29.631 1.00 22.25 H new ATOM 0 HE2 LYS A 28 3.061 5.917 -31.986 1.00 41.54 H new ATOM 0 HE3 LYS A 28 3.271 7.611 -31.587 1.00 41.54 H new ATOM 0 HZ1 LYS A 28 5.153 6.296 -30.854 1.00 64.52 H new ATOM 0 HZ2 LYS A 28 4.351 6.958 -29.512 1.00 64.52 H new ATOM 0 HZ3 LYS A 28 4.147 5.318 -29.899 1.00 64.52 H new ATOM 418 N LYS A 29 -0.588 4.357 -28.471 1.00 33.13 N ATOM 419 CA LYS A 29 -0.650 3.846 -27.107 1.00 64.34 C ATOM 420 C LYS A 29 0.032 4.805 -26.136 1.00 41.44 C ATOM 421 O LYS A 29 0.839 5.643 -26.539 1.00 54.31 O ATOM 422 CB LYS A 29 0.012 2.468 -27.026 1.00 15.03 C ATOM 423 CG LYS A 29 1.470 2.467 -27.450 1.00 51.22 C ATOM 424 CD LYS A 29 2.333 1.682 -26.475 1.00 53.11 C ATOM 425 CE LYS A 29 3.539 1.068 -27.169 1.00 41.33 C ATOM 426 NZ LYS A 29 4.590 2.082 -27.454 1.00 33.40 N ATOM 0 H LYS A 29 0.357 4.520 -28.817 1.00 33.13 H new ATOM 0 HA LYS A 29 -1.700 3.756 -26.827 1.00 64.34 H new ATOM 0 HB2 LYS A 29 -0.060 2.099 -26.003 1.00 15.03 H new ATOM 0 HB3 LYS A 29 -0.541 1.771 -27.656 1.00 15.03 H new ATOM 0 HG2 LYS A 29 1.560 2.035 -28.447 1.00 51.22 H new ATOM 0 HG3 LYS A 29 1.832 3.493 -27.514 1.00 51.22 H new ATOM 0 HD2 LYS A 29 2.669 2.340 -25.673 1.00 53.11 H new ATOM 0 HD3 LYS A 29 1.738 0.895 -26.013 1.00 53.11 H new ATOM 0 HE2 LYS A 29 3.956 0.279 -26.543 1.00 41.33 H new ATOM 0 HE3 LYS A 29 3.223 0.601 -28.102 1.00 41.33 H new ATOM 0 HZ1 LYS A 29 5.395 1.624 -27.927 1.00 33.40 H new ATOM 0 HZ2 LYS A 29 4.200 2.822 -28.072 1.00 33.40 H new ATOM 0 HZ3 LYS A 29 4.911 2.510 -26.562 1.00 33.40 H new ATOM 440 N PHE A 30 -0.297 4.676 -24.854 1.00 23.23 N ATOM 441 CA PHE A 30 0.284 5.530 -23.826 1.00 74.31 C ATOM 442 C PHE A 30 1.783 5.281 -23.693 1.00 44.31 C ATOM 443 O PHE A 30 2.349 4.446 -24.397 1.00 20.20 O ATOM 444 CB PHE A 30 -0.406 5.289 -22.482 1.00 2.21 C ATOM 445 CG PHE A 30 -1.552 6.223 -22.219 1.00 22.31 C ATOM 446 CD1 PHE A 30 -1.443 7.223 -21.265 1.00 31.42 C ATOM 447 CD2 PHE A 30 -2.738 6.102 -22.925 1.00 52.11 C ATOM 448 CE1 PHE A 30 -2.496 8.086 -21.022 1.00 4.41 C ATOM 449 CE2 PHE A 30 -3.794 6.961 -22.685 1.00 60.32 C ATOM 450 CZ PHE A 30 -3.673 7.953 -21.732 1.00 60.14 C ATOM 0 H PHE A 30 -0.963 3.988 -24.503 1.00 23.23 H new ATOM 0 HA PHE A 30 0.132 6.567 -24.124 1.00 74.31 H new ATOM 0 HB2 PHE A 30 -0.770 4.262 -22.449 1.00 2.21 H new ATOM 0 HB3 PHE A 30 0.328 5.393 -21.683 1.00 2.21 H new ATOM 0 HD1 PHE A 30 -0.525 7.329 -20.705 1.00 31.42 H new ATOM 0 HD2 PHE A 30 -2.839 5.328 -23.671 1.00 52.11 H new ATOM 0 HE1 PHE A 30 -2.398 8.863 -20.278 1.00 4.41 H new ATOM 0 HE2 PHE A 30 -4.713 6.856 -23.242 1.00 60.32 H new ATOM 0 HZ PHE A 30 -4.498 8.624 -21.542 1.00 60.14 H new ATOM 460 N GLY A 31 2.421 6.011 -22.784 1.00 75.22 N ATOM 461 CA GLY A 31 3.849 5.855 -22.575 1.00 43.41 C ATOM 462 C GLY A 31 4.268 6.195 -21.159 1.00 52.24 C ATOM 463 O GLY A 31 3.431 6.526 -20.320 1.00 42.05 O ATOM 0 H GLY A 31 1.975 6.708 -22.188 1.00 75.22 H new ATOM 0 HA2 GLY A 31 4.136 4.827 -22.799 1.00 43.41 H new ATOM 0 HA3 GLY A 31 4.387 6.495 -23.274 1.00 43.41 H new ATOM 467 N GLU A 32 5.568 6.112 -20.892 1.00 55.12 N ATOM 468 CA GLU A 32 6.095 6.412 -19.566 1.00 40.31 C ATOM 469 C GLU A 32 5.792 7.856 -19.173 1.00 22.13 C ATOM 470 O GLU A 32 5.246 8.117 -18.102 1.00 70.42 O ATOM 471 CB GLU A 32 7.605 6.168 -19.526 1.00 63.35 C ATOM 472 CG GLU A 32 7.984 4.696 -19.510 1.00 75.00 C ATOM 473 CD GLU A 32 8.313 4.164 -20.891 1.00 51.23 C ATOM 474 OE1 GLU A 32 7.374 3.773 -21.615 1.00 21.02 O ATOM 475 OE2 GLU A 32 9.509 4.137 -21.247 1.00 61.52 O ATOM 0 H GLU A 32 6.274 5.840 -21.576 1.00 55.12 H new ATOM 0 HA GLU A 32 5.607 5.749 -18.851 1.00 40.31 H new ATOM 0 HB2 GLU A 32 8.064 6.643 -20.393 1.00 63.35 H new ATOM 0 HB3 GLU A 32 8.019 6.651 -18.641 1.00 63.35 H new ATOM 0 HG2 GLU A 32 8.844 4.553 -18.855 1.00 75.00 H new ATOM 0 HG3 GLU A 32 7.162 4.118 -19.088 1.00 75.00 H new ATOM 482 N GLY A 33 6.152 8.789 -20.049 1.00 44.50 N ATOM 483 CA GLY A 33 5.911 10.194 -19.775 1.00 30.44 C ATOM 484 C GLY A 33 4.434 10.525 -19.698 1.00 23.43 C ATOM 485 O GLY A 33 4.036 11.457 -19.001 1.00 33.41 O ATOM 0 H GLY A 33 6.606 8.598 -20.942 1.00 44.50 H new ATOM 0 HA2 GLY A 33 6.390 10.465 -18.834 1.00 30.44 H new ATOM 0 HA3 GLY A 33 6.375 10.798 -20.555 1.00 30.44 H new ATOM 489 N ASN A 34 3.620 9.760 -20.418 1.00 13.12 N ATOM 490 CA ASN A 34 2.178 9.979 -20.431 1.00 52.52 C ATOM 491 C ASN A 34 1.573 9.690 -19.060 1.00 33.01 C ATOM 492 O ASN A 34 0.888 10.534 -18.480 1.00 24.12 O ATOM 493 CB ASN A 34 1.515 9.095 -21.489 1.00 71.41 C ATOM 494 CG ASN A 34 0.241 9.708 -22.039 1.00 44.43 C ATOM 495 OD1 ASN A 34 -0.522 10.340 -21.308 1.00 34.24 O ATOM 496 ND2 ASN A 34 0.007 9.523 -23.332 1.00 33.32 N ATOM 0 H ASN A 34 3.934 8.983 -21.000 1.00 13.12 H new ATOM 0 HA ASN A 34 1.997 11.025 -20.677 1.00 52.52 H new ATOM 0 HB2 ASN A 34 2.215 8.924 -22.307 1.00 71.41 H new ATOM 0 HB3 ASN A 34 1.288 8.121 -21.055 1.00 71.41 H new ATOM 0 HD21 ASN A 34 -0.834 9.912 -23.759 1.00 33.32 H new ATOM 0 HD22 ASN A 34 0.668 8.992 -23.899 1.00 33.32 H new ATOM 503 N PHE A 35 1.829 8.492 -18.546 1.00 24.45 N ATOM 504 CA PHE A 35 1.310 8.090 -17.244 1.00 2.02 C ATOM 505 C PHE A 35 1.882 8.969 -16.136 1.00 71.21 C ATOM 506 O PHE A 35 1.152 9.439 -15.264 1.00 40.44 O ATOM 507 CB PHE A 35 1.643 6.621 -16.969 1.00 71.13 C ATOM 508 CG PHE A 35 0.944 5.665 -17.892 1.00 32.44 C ATOM 509 CD1 PHE A 35 -0.399 5.829 -18.195 1.00 73.34 C ATOM 510 CD2 PHE A 35 1.629 4.602 -18.459 1.00 53.51 C ATOM 511 CE1 PHE A 35 -1.045 4.951 -19.045 1.00 43.25 C ATOM 512 CE2 PHE A 35 0.988 3.722 -19.310 1.00 42.11 C ATOM 513 CZ PHE A 35 -0.350 3.895 -19.602 1.00 11.01 C ATOM 0 H PHE A 35 2.394 7.782 -19.012 1.00 24.45 H new ATOM 0 HA PHE A 35 0.227 8.213 -17.259 1.00 2.02 H new ATOM 0 HB2 PHE A 35 2.720 6.478 -17.058 1.00 71.13 H new ATOM 0 HB3 PHE A 35 1.374 6.382 -15.940 1.00 71.13 H new ATOM 0 HD1 PHE A 35 -0.947 6.653 -17.762 1.00 73.34 H new ATOM 0 HD2 PHE A 35 2.676 4.460 -18.233 1.00 53.51 H new ATOM 0 HE1 PHE A 35 -2.091 5.090 -19.273 1.00 43.25 H new ATOM 0 HE2 PHE A 35 1.534 2.899 -19.747 1.00 42.11 H new ATOM 0 HZ PHE A 35 -0.853 3.206 -20.265 1.00 11.01 H new ATOM 523 N ARG A 36 3.193 9.185 -16.178 1.00 33.52 N ATOM 524 CA ARG A 36 3.863 10.006 -15.177 1.00 61.44 C ATOM 525 C ARG A 36 3.370 11.449 -15.237 1.00 11.10 C ATOM 526 O ARG A 36 3.430 12.178 -14.246 1.00 3.14 O ATOM 527 CB ARG A 36 5.378 9.965 -15.386 1.00 70.43 C ATOM 528 CG ARG A 36 6.168 9.815 -14.096 1.00 31.41 C ATOM 529 CD ARG A 36 7.575 9.304 -14.361 1.00 60.14 C ATOM 530 NE ARG A 36 8.576 10.026 -13.578 1.00 14.02 N ATOM 531 CZ ARG A 36 9.849 9.660 -13.497 1.00 64.45 C ATOM 532 NH1 ARG A 36 10.277 8.588 -14.148 1.00 43.12 N ATOM 533 NH2 ARG A 36 10.699 10.369 -12.763 1.00 71.42 N ATOM 0 H ARG A 36 3.811 8.803 -16.894 1.00 33.52 H new ATOM 0 HA ARG A 36 3.626 9.601 -14.193 1.00 61.44 H new ATOM 0 HB2 ARG A 36 5.622 9.136 -16.050 1.00 70.43 H new ATOM 0 HB3 ARG A 36 5.691 10.879 -15.890 1.00 70.43 H new ATOM 0 HG2 ARG A 36 6.219 10.777 -13.585 1.00 31.41 H new ATOM 0 HG3 ARG A 36 5.649 9.127 -13.428 1.00 31.41 H new ATOM 0 HD2 ARG A 36 7.626 8.242 -14.123 1.00 60.14 H new ATOM 0 HD3 ARG A 36 7.803 9.404 -15.422 1.00 60.14 H new ATOM 0 HE ARG A 36 8.280 10.857 -13.066 1.00 14.02 H new ATOM 0 HH11 ARG A 36 9.627 8.042 -14.713 1.00 43.12 H new ATOM 0 HH12 ARG A 36 11.256 8.309 -14.084 1.00 43.12 H new ATOM 0 HH21 ARG A 36 10.373 11.195 -12.261 1.00 71.42 H new ATOM 0 HH22 ARG A 36 11.677 10.087 -12.701 1.00 71.42 H new ATOM 547 N TRP A 37 2.882 11.853 -16.404 1.00 72.10 N ATOM 548 CA TRP A 37 2.378 13.210 -16.592 1.00 12.43 C ATOM 549 C TRP A 37 1.052 13.403 -15.865 1.00 61.12 C ATOM 550 O TRP A 37 0.898 14.332 -15.072 1.00 4.00 O ATOM 551 CB TRP A 37 2.205 13.508 -18.083 1.00 55.43 C ATOM 552 CG TRP A 37 1.466 14.785 -18.350 1.00 65.52 C ATOM 553 CD1 TRP A 37 2.005 16.034 -18.470 1.00 65.31 C ATOM 554 CD2 TRP A 37 0.054 14.937 -18.528 1.00 74.33 C ATOM 555 NE1 TRP A 37 1.014 16.953 -18.712 1.00 33.31 N ATOM 556 CE2 TRP A 37 -0.192 16.305 -18.754 1.00 74.33 C ATOM 557 CE3 TRP A 37 -1.027 14.051 -18.521 1.00 5.00 C ATOM 558 CZ2 TRP A 37 -1.473 16.806 -18.968 1.00 13.33 C ATOM 559 CZ3 TRP A 37 -2.298 14.549 -18.735 1.00 41.54 C ATOM 560 CH2 TRP A 37 -2.513 15.915 -18.956 1.00 21.33 C ATOM 0 H TRP A 37 2.824 11.262 -17.233 1.00 72.10 H new ATOM 0 HA TRP A 37 3.106 13.904 -16.171 1.00 12.43 H new ATOM 0 HB2 TRP A 37 3.187 13.560 -18.553 1.00 55.43 H new ATOM 0 HB3 TRP A 37 1.670 12.682 -18.552 1.00 55.43 H new ATOM 0 HD1 TRP A 37 3.057 16.265 -18.387 1.00 65.31 H new ATOM 0 HE1 TRP A 37 1.153 17.955 -18.840 1.00 33.31 H new ATOM 0 HE3 TRP A 37 -0.872 12.996 -18.351 1.00 5.00 H new ATOM 0 HZ2 TRP A 37 -1.641 17.859 -19.137 1.00 13.33 H new ATOM 0 HZ3 TRP A 37 -3.140 13.873 -18.732 1.00 41.54 H new ATOM 0 HH2 TRP A 37 -3.519 16.273 -19.120 1.00 21.33 H new ATOM 571 N ALA A 38 0.097 12.520 -16.138 1.00 34.33 N ATOM 572 CA ALA A 38 -1.215 12.594 -15.508 1.00 74.12 C ATOM 573 C ALA A 38 -1.143 12.181 -14.042 1.00 1.24 C ATOM 574 O ALA A 38 -1.727 12.831 -13.174 1.00 63.10 O ATOM 575 CB ALA A 38 -2.211 11.721 -16.257 1.00 5.21 C ATOM 0 H ALA A 38 0.208 11.745 -16.792 1.00 34.33 H new ATOM 0 HA ALA A 38 -1.554 13.629 -15.551 1.00 74.12 H new ATOM 0 HB1 ALA A 38 -3.186 11.786 -15.775 1.00 5.21 H new ATOM 0 HB2 ALA A 38 -2.292 12.064 -17.288 1.00 5.21 H new ATOM 0 HB3 ALA A 38 -1.869 10.686 -16.245 1.00 5.21 H new ATOM 581 N ILE A 39 -0.425 11.096 -13.773 1.00 1.01 N ATOM 582 CA ILE A 39 -0.277 10.596 -12.411 1.00 14.30 C ATOM 583 C ILE A 39 0.304 11.666 -11.493 1.00 52.13 C ATOM 584 O ILE A 39 -0.220 11.918 -10.407 1.00 33.42 O ATOM 585 CB ILE A 39 0.625 9.349 -12.364 1.00 14.13 C ATOM 586 CG1 ILE A 39 -0.090 8.151 -12.992 1.00 30.21 C ATOM 587 CG2 ILE A 39 1.026 9.040 -10.930 1.00 42.25 C ATOM 588 CD1 ILE A 39 -1.244 7.632 -12.162 1.00 33.20 C ATOM 0 H ILE A 39 0.063 10.546 -14.480 1.00 1.01 H new ATOM 0 HA ILE A 39 -1.274 10.326 -12.064 1.00 14.30 H new ATOM 0 HB ILE A 39 1.529 9.551 -12.939 1.00 14.13 H new ATOM 0 HG12 ILE A 39 -0.460 8.435 -13.977 1.00 30.21 H new ATOM 0 HG13 ILE A 39 0.630 7.346 -13.142 1.00 30.21 H new ATOM 0 HG21 ILE A 39 1.663 8.156 -10.913 1.00 42.25 H new ATOM 0 HG22 ILE A 39 1.570 9.888 -10.514 1.00 42.25 H new ATOM 0 HG23 ILE A 39 0.132 8.854 -10.334 1.00 42.25 H new ATOM 0 HD11 ILE A 39 -1.704 6.783 -12.668 1.00 33.20 H new ATOM 0 HD12 ILE A 39 -0.877 7.317 -11.185 1.00 33.20 H new ATOM 0 HD13 ILE A 39 -1.984 8.422 -12.034 1.00 33.20 H new ATOM 600 N ARG A 40 1.388 12.293 -11.937 1.00 42.31 N ATOM 601 CA ARG A 40 2.040 13.337 -11.156 1.00 44.52 C ATOM 602 C ARG A 40 1.129 14.550 -11.000 1.00 55.33 C ATOM 603 O ARG A 40 0.814 14.963 -9.885 1.00 43.55 O ATOM 604 CB ARG A 40 3.353 13.755 -11.819 1.00 24.44 C ATOM 605 CG ARG A 40 4.131 14.797 -11.031 1.00 33.34 C ATOM 606 CD ARG A 40 4.172 16.130 -11.760 1.00 75.25 C ATOM 607 NE ARG A 40 5.408 16.302 -12.519 1.00 1.34 N ATOM 608 CZ ARG A 40 5.846 17.477 -12.956 1.00 71.31 C ATOM 609 NH1 ARG A 40 5.152 18.580 -12.709 1.00 22.43 N ATOM 610 NH2 ARG A 40 6.981 17.551 -13.640 1.00 55.45 N ATOM 0 H ARG A 40 1.833 12.096 -12.833 1.00 42.31 H new ATOM 0 HA ARG A 40 2.252 12.934 -10.166 1.00 44.52 H new ATOM 0 HB2 ARG A 40 3.979 12.873 -11.954 1.00 24.44 H new ATOM 0 HB3 ARG A 40 3.139 14.149 -12.813 1.00 24.44 H new ATOM 0 HG2 ARG A 40 3.673 14.931 -10.051 1.00 33.34 H new ATOM 0 HG3 ARG A 40 5.148 14.442 -10.861 1.00 33.34 H new ATOM 0 HD2 ARG A 40 3.319 16.200 -12.435 1.00 75.25 H new ATOM 0 HD3 ARG A 40 4.074 16.941 -11.038 1.00 75.25 H new ATOM 0 HE ARG A 40 5.966 15.473 -12.725 1.00 1.34 H new ATOM 0 HH11 ARG A 40 4.280 18.527 -12.182 1.00 22.43 H new ATOM 0 HH12 ARG A 40 5.490 19.481 -13.046 1.00 22.43 H new ATOM 0 HH21 ARG A 40 7.518 16.705 -13.830 1.00 55.45 H new ATOM 0 HH22 ARG A 40 7.316 18.454 -13.975 1.00 55.45 H new ATOM 624 N MET A 41 0.707 15.115 -12.126 1.00 74.44 N ATOM 625 CA MET A 41 -0.170 16.281 -12.114 1.00 32.40 C ATOM 626 C MET A 41 -1.391 16.034 -11.235 1.00 3.24 C ATOM 627 O MET A 41 -1.843 16.926 -10.519 1.00 15.11 O ATOM 628 CB MET A 41 -0.613 16.628 -13.537 1.00 22.23 C ATOM 629 CG MET A 41 -1.330 17.963 -13.642 1.00 74.33 C ATOM 630 SD MET A 41 -1.443 18.560 -15.340 1.00 42.22 S ATOM 631 CE MET A 41 0.244 19.093 -15.624 1.00 1.14 C ATOM 0 H MET A 41 0.958 14.785 -13.058 1.00 74.44 H new ATOM 0 HA MET A 41 0.389 17.120 -11.701 1.00 32.40 H new ATOM 0 HB2 MET A 41 0.262 16.643 -14.187 1.00 22.23 H new ATOM 0 HB3 MET A 41 -1.271 15.841 -13.906 1.00 22.23 H new ATOM 0 HG2 MET A 41 -2.334 17.865 -13.228 1.00 74.33 H new ATOM 0 HG3 MET A 41 -0.805 18.701 -13.036 1.00 74.33 H new ATOM 0 HE1 MET A 41 0.279 19.736 -16.503 1.00 1.14 H new ATOM 0 HE2 MET A 41 0.602 19.646 -14.755 1.00 1.14 H new ATOM 0 HE3 MET A 41 0.878 18.222 -15.786 1.00 1.14 H new ATOM 641 N ALA A 42 -1.921 14.816 -11.294 1.00 40.12 N ATOM 642 CA ALA A 42 -3.088 14.450 -10.502 1.00 71.40 C ATOM 643 C ALA A 42 -2.803 14.584 -9.010 1.00 14.21 C ATOM 644 O ALA A 42 -3.578 15.192 -8.272 1.00 63.42 O ATOM 645 CB ALA A 42 -3.529 13.032 -10.832 1.00 65.51 C ATOM 0 H ALA A 42 -1.560 14.066 -11.883 1.00 40.12 H new ATOM 0 HA ALA A 42 -3.896 15.137 -10.754 1.00 71.40 H new ATOM 0 HB1 ALA A 42 -4.402 12.773 -10.232 1.00 65.51 H new ATOM 0 HB2 ALA A 42 -3.784 12.967 -11.890 1.00 65.51 H new ATOM 0 HB3 ALA A 42 -2.718 12.338 -10.611 1.00 65.51 H new ATOM 651 N ASN A 43 -1.687 14.010 -8.572 1.00 52.51 N ATOM 652 CA ASN A 43 -1.300 14.064 -7.166 1.00 33.35 C ATOM 653 C ASN A 43 -1.062 15.503 -6.723 1.00 71.42 C ATOM 654 O ASN A 43 -1.659 15.974 -5.755 1.00 43.14 O ATOM 655 CB ASN A 43 -0.040 13.229 -6.931 1.00 51.03 C ATOM 656 CG ASN A 43 -0.308 11.740 -7.013 1.00 22.25 C ATOM 657 OD1 ASN A 43 -1.345 11.259 -6.556 1.00 4.45 O ATOM 658 ND2 ASN A 43 0.627 11.002 -7.599 1.00 1.03 N ATOM 0 H ASN A 43 -1.035 13.502 -9.170 1.00 52.51 H new ATOM 0 HA ASN A 43 -2.116 13.651 -6.573 1.00 33.35 H new ATOM 0 HB2 ASN A 43 0.715 13.500 -7.669 1.00 51.03 H new ATOM 0 HB3 ASN A 43 0.373 13.467 -5.951 1.00 51.03 H new ATOM 0 HD21 ASN A 43 0.501 9.993 -7.685 1.00 1.03 H new ATOM 0 HD22 ASN A 43 1.471 11.444 -7.964 1.00 1.03 H new ATOM 665 N VAL A 44 -0.185 16.200 -7.439 1.00 61.33 N ATOM 666 CA VAL A 44 0.132 17.587 -7.121 1.00 41.14 C ATOM 667 C VAL A 44 -1.124 18.450 -7.111 1.00 12.52 C ATOM 668 O VAL A 44 -1.327 19.260 -6.207 1.00 45.45 O ATOM 669 CB VAL A 44 1.140 18.177 -8.125 1.00 33.41 C ATOM 670 CG1 VAL A 44 1.462 19.622 -7.774 1.00 61.02 C ATOM 671 CG2 VAL A 44 2.405 17.335 -8.168 1.00 24.30 C ATOM 0 H VAL A 44 0.319 15.826 -8.243 1.00 61.33 H new ATOM 0 HA VAL A 44 0.578 17.589 -6.126 1.00 41.14 H new ATOM 0 HB VAL A 44 0.688 18.162 -9.117 1.00 33.41 H new ATOM 0 HG11 VAL A 44 2.176 20.021 -8.495 1.00 61.02 H new ATOM 0 HG12 VAL A 44 0.548 20.215 -7.801 1.00 61.02 H new ATOM 0 HG13 VAL A 44 1.893 19.666 -6.774 1.00 61.02 H new ATOM 0 HG21 VAL A 44 3.106 17.767 -8.883 1.00 24.30 H new ATOM 0 HG22 VAL A 44 2.862 17.315 -7.179 1.00 24.30 H new ATOM 0 HG23 VAL A 44 2.156 16.319 -8.473 1.00 24.30 H new ATOM 681 N SER A 45 -1.967 18.270 -8.123 1.00 73.41 N ATOM 682 CA SER A 45 -3.204 19.035 -8.234 1.00 43.24 C ATOM 683 C SER A 45 -4.121 18.757 -7.047 1.00 74.21 C ATOM 684 O SER A 45 -4.932 19.600 -6.663 1.00 73.34 O ATOM 685 CB SER A 45 -3.924 18.694 -9.541 1.00 62.45 C ATOM 686 OG SER A 45 -5.005 19.580 -9.772 1.00 30.14 O ATOM 0 H SER A 45 -1.816 17.601 -8.878 1.00 73.41 H new ATOM 0 HA SER A 45 -2.949 20.095 -8.234 1.00 43.24 H new ATOM 0 HB2 SER A 45 -3.221 18.748 -10.372 1.00 62.45 H new ATOM 0 HB3 SER A 45 -4.292 17.669 -9.501 1.00 62.45 H new ATOM 0 HG SER A 45 -5.448 19.343 -10.613 1.00 30.14 H new ATOM 692 N THR A 46 -3.987 17.567 -6.469 1.00 33.34 N ATOM 693 CA THR A 46 -4.805 17.176 -5.327 1.00 23.24 C ATOM 694 C THR A 46 -4.008 17.251 -4.030 1.00 24.23 C ATOM 695 O THR A 46 -4.252 16.489 -3.095 1.00 32.33 O ATOM 696 CB THR A 46 -5.358 15.749 -5.496 1.00 3.50 C ATOM 697 OG1 THR A 46 -4.281 14.823 -5.681 1.00 72.24 O ATOM 698 CG2 THR A 46 -6.308 15.672 -6.682 1.00 14.32 C ATOM 0 H THR A 46 -3.320 16.858 -6.773 1.00 33.34 H new ATOM 0 HA THR A 46 -5.638 17.877 -5.279 1.00 23.24 H new ATOM 0 HB THR A 46 -5.909 15.489 -4.592 1.00 3.50 H new ATOM 0 HG1 THR A 46 -3.965 14.870 -6.607 1.00 72.24 H new ATOM 0 HG21 THR A 46 -6.685 14.654 -6.781 1.00 14.32 H new ATOM 0 HG22 THR A 46 -7.143 16.355 -6.524 1.00 14.32 H new ATOM 0 HG23 THR A 46 -5.777 15.952 -7.592 1.00 14.32 H new ATOM 706 N GLY A 47 -3.053 18.174 -3.980 1.00 63.43 N ATOM 707 CA GLY A 47 -2.235 18.332 -2.791 1.00 23.23 C ATOM 708 C GLY A 47 -1.596 17.029 -2.351 1.00 41.32 C ATOM 709 O GLY A 47 -1.861 16.540 -1.253 1.00 52.33 O ATOM 0 H GLY A 47 -2.831 18.815 -4.741 1.00 63.43 H new ATOM 0 HA2 GLY A 47 -1.455 19.068 -2.985 1.00 23.23 H new ATOM 0 HA3 GLY A 47 -2.849 18.724 -1.980 1.00 23.23 H new ATOM 713 N ARG A 48 -0.754 16.464 -3.210 1.00 74.12 N ATOM 714 CA ARG A 48 -0.078 15.209 -2.904 1.00 74.14 C ATOM 715 C ARG A 48 1.302 15.163 -3.554 1.00 43.45 C ATOM 716 O ARG A 48 1.526 15.769 -4.601 1.00 43.41 O ATOM 717 CB ARG A 48 -0.918 14.024 -3.383 1.00 51.20 C ATOM 718 CG ARG A 48 -1.476 13.176 -2.251 1.00 64.24 C ATOM 719 CD ARG A 48 -2.759 12.472 -2.661 1.00 73.44 C ATOM 720 NE ARG A 48 -3.565 12.085 -1.506 1.00 71.53 N ATOM 721 CZ ARG A 48 -3.296 11.034 -0.740 1.00 31.55 C ATOM 722 NH1 ARG A 48 -2.247 10.268 -1.007 1.00 43.22 N ATOM 723 NH2 ARG A 48 -4.076 10.747 0.293 1.00 12.14 N ATOM 0 H ARG A 48 -0.524 16.855 -4.123 1.00 74.12 H new ATOM 0 HA ARG A 48 0.046 15.145 -1.823 1.00 74.14 H new ATOM 0 HB2 ARG A 48 -1.745 14.396 -3.988 1.00 51.20 H new ATOM 0 HB3 ARG A 48 -0.307 13.395 -4.030 1.00 51.20 H new ATOM 0 HG2 ARG A 48 -0.734 12.436 -1.950 1.00 64.24 H new ATOM 0 HG3 ARG A 48 -1.668 13.807 -1.383 1.00 64.24 H new ATOM 0 HD2 ARG A 48 -3.342 13.129 -3.306 1.00 73.44 H new ATOM 0 HD3 ARG A 48 -2.515 11.585 -3.246 1.00 73.44 H new ATOM 0 HE ARG A 48 -4.380 12.654 -1.275 1.00 71.53 H new ATOM 0 HH11 ARG A 48 -1.646 10.486 -1.802 1.00 43.22 H new ATOM 0 HH12 ARG A 48 -2.042 9.461 -0.418 1.00 43.22 H new ATOM 0 HH21 ARG A 48 -4.884 11.334 0.500 1.00 12.14 H new ATOM 0 HH22 ARG A 48 -3.868 9.939 0.880 1.00 12.14 H new ATOM 773 N ASP A 52 3.634 9.714 -5.831 1.00 31.14 N ATOM 774 CA ASP A 52 2.583 9.062 -5.057 1.00 22.03 C ATOM 775 C ASP A 52 1.839 8.037 -5.907 1.00 33.54 C ATOM 776 O ASP A 52 0.718 8.284 -6.355 1.00 32.42 O ATOM 777 CB ASP A 52 1.602 10.100 -4.512 1.00 71.34 C ATOM 778 CG ASP A 52 0.905 9.631 -3.250 1.00 24.41 C ATOM 779 OD1 ASP A 52 1.415 9.920 -2.147 1.00 62.15 O ATOM 780 OD2 ASP A 52 -0.152 8.976 -3.365 1.00 24.13 O ATOM 0 HA ASP A 52 3.051 8.543 -4.221 1.00 22.03 H new ATOM 0 HB2 ASP A 52 2.136 11.027 -4.305 1.00 71.34 H new ATOM 0 HB3 ASP A 52 0.855 10.325 -5.274 1.00 71.34 H new ATOM 785 N ILE A 53 2.469 6.888 -6.127 1.00 13.25 N ATOM 786 CA ILE A 53 1.865 5.827 -6.924 1.00 21.12 C ATOM 787 C ILE A 53 1.839 4.510 -6.156 1.00 70.11 C ATOM 788 O ILE A 53 2.524 3.547 -6.503 1.00 44.03 O ATOM 789 CB ILE A 53 2.620 5.620 -8.251 1.00 43.02 C ATOM 790 CG1 ILE A 53 2.898 6.968 -8.919 1.00 31.30 C ATOM 791 CG2 ILE A 53 1.822 4.718 -9.179 1.00 4.54 C ATOM 792 CD1 ILE A 53 3.608 6.847 -10.250 1.00 21.05 C ATOM 0 H ILE A 53 3.397 6.668 -5.765 1.00 13.25 H new ATOM 0 HA ILE A 53 0.843 6.138 -7.142 1.00 21.12 H new ATOM 0 HB ILE A 53 3.574 5.137 -8.038 1.00 43.02 H new ATOM 0 HG12 ILE A 53 1.954 7.493 -9.066 1.00 31.30 H new ATOM 0 HG13 ILE A 53 3.502 7.579 -8.248 1.00 31.30 H new ATOM 0 HG21 ILE A 53 2.368 4.581 -10.112 1.00 4.54 H new ATOM 0 HG22 ILE A 53 1.669 3.750 -8.703 1.00 4.54 H new ATOM 0 HG23 ILE A 53 0.855 5.176 -9.388 1.00 4.54 H new ATOM 0 HD11 ILE A 53 3.773 7.841 -10.666 1.00 21.05 H new ATOM 0 HD12 ILE A 53 4.568 6.350 -10.107 1.00 21.05 H new ATOM 0 HD13 ILE A 53 2.996 6.263 -10.937 1.00 21.05 H new ATOM 804 N PRO A 54 1.029 4.463 -5.088 1.00 31.21 N ATOM 805 CA PRO A 54 0.892 3.268 -4.250 1.00 11.22 C ATOM 806 C PRO A 54 0.170 2.134 -4.970 1.00 21.31 C ATOM 807 O PRO A 54 0.251 0.977 -4.562 1.00 51.23 O ATOM 808 CB PRO A 54 0.061 3.762 -3.063 1.00 42.22 C ATOM 809 CG PRO A 54 -0.705 4.923 -3.593 1.00 54.05 C ATOM 810 CD PRO A 54 0.183 5.573 -4.618 1.00 14.11 C ATOM 0 HA PRO A 54 1.860 2.854 -3.968 1.00 11.22 H new ATOM 0 HB2 PRO A 54 -0.606 2.982 -2.695 1.00 42.22 H new ATOM 0 HB3 PRO A 54 0.698 4.056 -2.229 1.00 42.22 H new ATOM 0 HG2 PRO A 54 -1.645 4.599 -4.040 1.00 54.05 H new ATOM 0 HG3 PRO A 54 -0.956 5.622 -2.795 1.00 54.05 H new ATOM 0 HD2 PRO A 54 -0.396 6.010 -5.432 1.00 14.11 H new ATOM 0 HD3 PRO A 54 0.778 6.376 -4.183 1.00 14.11 H new ATOM 818 N GLU A 55 -0.535 2.476 -6.045 1.00 11.32 N ATOM 819 CA GLU A 55 -1.271 1.484 -6.821 1.00 54.12 C ATOM 820 C GLU A 55 -2.322 0.790 -5.960 1.00 51.24 C ATOM 821 O GLU A 55 -2.137 -0.349 -5.530 1.00 22.15 O ATOM 822 CB GLU A 55 -0.311 0.447 -7.408 1.00 74.23 C ATOM 823 CG GLU A 55 0.780 1.052 -8.277 1.00 63.12 C ATOM 824 CD GLU A 55 0.239 1.648 -9.561 1.00 31.23 C ATOM 825 OE1 GLU A 55 1.049 2.150 -10.369 1.00 41.21 O ATOM 826 OE2 GLU A 55 -0.993 1.614 -9.759 1.00 14.03 O ATOM 0 H GLU A 55 -0.612 3.430 -6.397 1.00 11.32 H new ATOM 0 HA GLU A 55 -1.777 2.001 -7.636 1.00 54.12 H new ATOM 0 HB2 GLU A 55 0.152 -0.110 -6.593 1.00 74.23 H new ATOM 0 HB3 GLU A 55 -0.881 -0.269 -8.000 1.00 74.23 H new ATOM 0 HG2 GLU A 55 1.301 1.826 -7.713 1.00 63.12 H new ATOM 0 HG3 GLU A 55 1.515 0.284 -8.519 1.00 63.12 H new ATOM 833 N THR A 56 -3.427 1.485 -5.710 1.00 33.03 N ATOM 834 CA THR A 56 -4.507 0.938 -4.900 1.00 11.42 C ATOM 835 C THR A 56 -5.856 1.508 -5.323 1.00 35.25 C ATOM 836 O THR A 56 -5.990 2.711 -5.551 1.00 64.31 O ATOM 837 CB THR A 56 -4.289 1.227 -3.402 1.00 31.23 C ATOM 838 OG1 THR A 56 -4.325 2.639 -3.165 1.00 32.10 O ATOM 839 CG2 THR A 56 -2.956 0.663 -2.931 1.00 34.45 C ATOM 0 H THR A 56 -3.597 2.429 -6.057 1.00 33.03 H new ATOM 0 HA THR A 56 -4.505 -0.140 -5.059 1.00 11.42 H new ATOM 0 HB THR A 56 -5.089 0.744 -2.841 1.00 31.23 H new ATOM 0 HG1 THR A 56 -4.187 2.814 -2.211 1.00 32.10 H new ATOM 0 HG21 THR A 56 -2.824 0.879 -1.871 1.00 34.45 H new ATOM 0 HG22 THR A 56 -2.942 -0.416 -3.086 1.00 34.45 H new ATOM 0 HG23 THR A 56 -2.146 1.121 -3.498 1.00 34.45 H new ATOM 847 N LEU A 57 -6.855 0.638 -5.427 1.00 51.22 N ATOM 848 CA LEU A 57 -8.196 1.056 -5.822 1.00 21.34 C ATOM 849 C LEU A 57 -8.680 2.219 -4.962 1.00 21.43 C ATOM 850 O LEU A 57 -9.459 3.057 -5.417 1.00 63.20 O ATOM 851 CB LEU A 57 -9.171 -0.117 -5.709 1.00 5.32 C ATOM 852 CG LEU A 57 -9.391 -0.934 -6.984 1.00 71.44 C ATOM 853 CD1 LEU A 57 -10.331 -2.098 -6.717 1.00 2.33 C ATOM 854 CD2 LEU A 57 -9.935 -0.049 -8.095 1.00 75.41 C ATOM 0 H LEU A 57 -6.762 -0.361 -5.243 1.00 51.22 H new ATOM 0 HA LEU A 57 -8.155 1.388 -6.859 1.00 21.34 H new ATOM 0 HB2 LEU A 57 -8.811 -0.788 -4.929 1.00 5.32 H new ATOM 0 HB3 LEU A 57 -10.135 0.269 -5.378 1.00 5.32 H new ATOM 0 HG LEU A 57 -8.431 -1.338 -7.305 1.00 71.44 H new ATOM 0 HD11 LEU A 57 -10.475 -2.667 -7.635 1.00 2.33 H new ATOM 0 HD12 LEU A 57 -9.901 -2.745 -5.953 1.00 2.33 H new ATOM 0 HD13 LEU A 57 -11.292 -1.718 -6.371 1.00 2.33 H new ATOM 0 HD21 LEU A 57 -10.086 -0.646 -8.995 1.00 75.41 H new ATOM 0 HD22 LEU A 57 -10.886 0.384 -7.783 1.00 75.41 H new ATOM 0 HD23 LEU A 57 -9.224 0.750 -8.305 1.00 75.41 H new ATOM 866 N ASP A 58 -8.213 2.264 -3.720 1.00 23.31 N ATOM 867 CA ASP A 58 -8.595 3.327 -2.798 1.00 43.43 C ATOM 868 C ASP A 58 -7.911 4.639 -3.167 1.00 55.02 C ATOM 869 O ASP A 58 -8.516 5.708 -3.090 1.00 13.42 O ATOM 870 CB ASP A 58 -8.238 2.938 -1.362 1.00 34.22 C ATOM 871 CG ASP A 58 -9.466 2.705 -0.504 1.00 44.41 C ATOM 872 OD1 ASP A 58 -9.493 1.696 0.232 1.00 41.22 O ATOM 873 OD2 ASP A 58 -10.400 3.531 -0.568 1.00 63.22 O ATOM 0 H ASP A 58 -7.569 1.577 -3.328 1.00 23.31 H new ATOM 0 HA ASP A 58 -9.673 3.467 -2.871 1.00 43.43 H new ATOM 0 HB2 ASP A 58 -7.630 2.034 -1.374 1.00 34.22 H new ATOM 0 HB3 ASP A 58 -7.630 3.725 -0.916 1.00 34.22 H new ATOM 878 N GLN A 59 -6.646 4.550 -3.567 1.00 32.14 N ATOM 879 CA GLN A 59 -5.881 5.731 -3.946 1.00 60.42 C ATOM 880 C GLN A 59 -6.402 6.322 -5.252 1.00 72.23 C ATOM 881 O GLN A 59 -6.763 7.498 -5.313 1.00 40.11 O ATOM 882 CB GLN A 59 -4.398 5.379 -4.088 1.00 74.25 C ATOM 883 CG GLN A 59 -3.568 6.487 -4.716 1.00 14.23 C ATOM 884 CD GLN A 59 -3.276 6.238 -6.183 1.00 12.42 C ATOM 885 OE1 GLN A 59 -3.539 7.089 -7.033 1.00 3.01 O ATOM 886 NE2 GLN A 59 -2.731 5.066 -6.487 1.00 25.25 N ATOM 0 H GLN A 59 -6.130 3.673 -3.637 1.00 32.14 H new ATOM 0 HA GLN A 59 -5.998 6.476 -3.159 1.00 60.42 H new ATOM 0 HB2 GLN A 59 -3.992 5.146 -3.103 1.00 74.25 H new ATOM 0 HB3 GLN A 59 -4.303 4.478 -4.693 1.00 74.25 H new ATOM 0 HG2 GLN A 59 -4.095 7.435 -4.610 1.00 14.23 H new ATOM 0 HG3 GLN A 59 -2.627 6.583 -4.174 1.00 14.23 H new ATOM 0 HE21 GLN A 59 -2.530 4.390 -5.750 1.00 25.25 H new ATOM 0 HE22 GLN A 59 -2.513 4.841 -7.458 1.00 25.25 H new ATOM 895 N LEU A 60 -6.438 5.500 -6.295 1.00 14.03 N ATOM 896 CA LEU A 60 -6.916 5.942 -7.601 1.00 45.04 C ATOM 897 C LEU A 60 -8.327 6.510 -7.501 1.00 71.40 C ATOM 898 O LEU A 60 -8.617 7.577 -8.041 1.00 63.42 O ATOM 899 CB LEU A 60 -6.891 4.779 -8.594 1.00 21.12 C ATOM 900 CG LEU A 60 -5.590 3.976 -8.656 1.00 35.40 C ATOM 901 CD1 LEU A 60 -5.885 2.485 -8.694 1.00 22.12 C ATOM 902 CD2 LEU A 60 -4.766 4.390 -9.867 1.00 10.13 C ATOM 0 H LEU A 60 -6.142 4.524 -6.262 1.00 14.03 H new ATOM 0 HA LEU A 60 -6.252 6.730 -7.956 1.00 45.04 H new ATOM 0 HB2 LEU A 60 -7.704 4.097 -8.344 1.00 21.12 H new ATOM 0 HB3 LEU A 60 -7.099 5.173 -9.589 1.00 21.12 H new ATOM 0 HG LEU A 60 -5.011 4.188 -7.757 1.00 35.40 H new ATOM 0 HD11 LEU A 60 -4.948 1.930 -8.738 1.00 22.12 H new ATOM 0 HD12 LEU A 60 -6.434 2.200 -7.797 1.00 22.12 H new ATOM 0 HD13 LEU A 60 -6.485 2.255 -9.575 1.00 22.12 H new ATOM 0 HD21 LEU A 60 -3.844 3.809 -9.896 1.00 10.13 H new ATOM 0 HD22 LEU A 60 -5.339 4.207 -10.776 1.00 10.13 H new ATOM 0 HD23 LEU A 60 -4.524 5.451 -9.797 1.00 10.13 H new ATOM 914 N ARG A 61 -9.201 5.791 -6.805 1.00 50.21 N ATOM 915 CA ARG A 61 -10.583 6.224 -6.633 1.00 72.11 C ATOM 916 C ARG A 61 -10.643 7.614 -6.006 1.00 70.41 C ATOM 917 O ARG A 61 -11.376 8.487 -6.474 1.00 42.32 O ATOM 918 CB ARG A 61 -11.348 5.227 -5.760 1.00 31.45 C ATOM 919 CG ARG A 61 -12.771 5.659 -5.447 1.00 3.04 C ATOM 920 CD ARG A 61 -13.721 4.472 -5.429 1.00 13.41 C ATOM 921 NE ARG A 61 -15.120 4.892 -5.373 1.00 2.32 N ATOM 922 CZ ARG A 61 -16.142 4.075 -5.601 1.00 2.44 C ATOM 923 NH1 ARG A 61 -15.924 2.801 -5.900 1.00 61.44 N ATOM 924 NH2 ARG A 61 -17.386 4.530 -5.531 1.00 54.12 N ATOM 0 H ARG A 61 -8.977 4.906 -6.351 1.00 50.21 H new ATOM 0 HA ARG A 61 -11.049 6.267 -7.618 1.00 72.11 H new ATOM 0 HB2 ARG A 61 -11.373 4.261 -6.263 1.00 31.45 H new ATOM 0 HB3 ARG A 61 -10.806 5.085 -4.825 1.00 31.45 H new ATOM 0 HG2 ARG A 61 -12.796 6.161 -4.480 1.00 3.04 H new ATOM 0 HG3 ARG A 61 -13.105 6.383 -6.191 1.00 3.04 H new ATOM 0 HD2 ARG A 61 -13.560 3.865 -6.320 1.00 13.41 H new ATOM 0 HD3 ARG A 61 -13.497 3.841 -4.569 1.00 13.41 H new ATOM 0 HE ARG A 61 -15.322 5.866 -5.146 1.00 2.32 H new ATOM 0 HH11 ARG A 61 -14.969 2.446 -5.955 1.00 61.44 H new ATOM 0 HH12 ARG A 61 -16.711 2.176 -6.075 1.00 61.44 H new ATOM 0 HH21 ARG A 61 -17.559 5.509 -5.302 1.00 54.12 H new ATOM 0 HH22 ARG A 61 -18.170 3.901 -5.706 1.00 54.12 H new ATOM 938 N LEU A 62 -9.867 7.813 -4.947 1.00 55.33 N ATOM 939 CA LEU A 62 -9.833 9.097 -4.255 1.00 60.54 C ATOM 940 C LEU A 62 -9.394 10.212 -5.199 1.00 42.04 C ATOM 941 O LEU A 62 -9.866 11.345 -5.102 1.00 53.22 O ATOM 942 CB LEU A 62 -8.886 9.027 -3.055 1.00 71.22 C ATOM 943 CG LEU A 62 -9.540 9.120 -1.677 1.00 1.24 C ATOM 944 CD1 LEU A 62 -10.353 10.401 -1.556 1.00 24.40 C ATOM 945 CD2 LEU A 62 -10.419 7.903 -1.421 1.00 74.45 C ATOM 0 H LEU A 62 -9.253 7.103 -4.549 1.00 55.33 H new ATOM 0 HA LEU A 62 -10.840 9.319 -3.903 1.00 60.54 H new ATOM 0 HB2 LEU A 62 -8.332 8.090 -3.109 1.00 71.22 H new ATOM 0 HB3 LEU A 62 -8.158 9.833 -3.145 1.00 71.22 H new ATOM 0 HG LEU A 62 -8.753 9.141 -0.923 1.00 1.24 H new ATOM 0 HD11 LEU A 62 -10.811 10.449 -0.568 1.00 24.40 H new ATOM 0 HD12 LEU A 62 -9.699 11.262 -1.695 1.00 24.40 H new ATOM 0 HD13 LEU A 62 -11.132 10.411 -2.318 1.00 24.40 H new ATOM 0 HD21 LEU A 62 -10.877 7.986 -0.435 1.00 74.45 H new ATOM 0 HD22 LEU A 62 -11.199 7.852 -2.180 1.00 74.45 H new ATOM 0 HD23 LEU A 62 -9.811 6.999 -1.464 1.00 74.45 H new ATOM 957 N VAL A 63 -8.487 9.883 -6.114 1.00 72.31 N ATOM 958 CA VAL A 63 -7.987 10.856 -7.079 1.00 43.51 C ATOM 959 C VAL A 63 -9.083 11.281 -8.049 1.00 53.23 C ATOM 960 O VAL A 63 -9.203 12.459 -8.388 1.00 13.34 O ATOM 961 CB VAL A 63 -6.798 10.291 -7.879 1.00 73.53 C ATOM 962 CG1 VAL A 63 -6.169 11.378 -8.738 1.00 51.41 C ATOM 963 CG2 VAL A 63 -5.769 9.679 -6.942 1.00 43.21 C ATOM 0 H VAL A 63 -8.084 8.951 -6.207 1.00 72.31 H new ATOM 0 HA VAL A 63 -7.653 11.724 -6.511 1.00 43.51 H new ATOM 0 HB VAL A 63 -7.166 9.506 -8.540 1.00 73.53 H new ATOM 0 HG11 VAL A 63 -5.331 10.961 -9.296 1.00 51.41 H new ATOM 0 HG12 VAL A 63 -6.912 11.766 -9.435 1.00 51.41 H new ATOM 0 HG13 VAL A 63 -5.813 12.186 -8.099 1.00 51.41 H new ATOM 0 HG21 VAL A 63 -4.936 9.285 -7.524 1.00 43.21 H new ATOM 0 HG22 VAL A 63 -5.403 10.442 -6.255 1.00 43.21 H new ATOM 0 HG23 VAL A 63 -6.229 8.871 -6.374 1.00 43.21 H new ATOM 973 N ILE A 64 -9.880 10.315 -8.492 1.00 34.53 N ATOM 974 CA ILE A 64 -10.968 10.590 -9.424 1.00 73.14 C ATOM 975 C ILE A 64 -12.004 11.518 -8.799 1.00 1.11 C ATOM 976 O ILE A 64 -12.528 12.415 -9.461 1.00 73.15 O ATOM 977 CB ILE A 64 -11.663 9.293 -9.877 1.00 51.22 C ATOM 978 CG1 ILE A 64 -10.660 8.364 -10.563 1.00 51.42 C ATOM 979 CG2 ILE A 64 -12.823 9.611 -10.808 1.00 32.31 C ATOM 980 CD1 ILE A 64 -10.092 8.930 -11.846 1.00 65.02 C ATOM 0 H ILE A 64 -9.794 9.335 -8.221 1.00 34.53 H new ATOM 0 HA ILE A 64 -10.525 11.076 -10.293 1.00 73.14 H new ATOM 0 HB ILE A 64 -12.058 8.784 -8.998 1.00 51.22 H new ATOM 0 HG12 ILE A 64 -9.842 8.154 -9.874 1.00 51.42 H new ATOM 0 HG13 ILE A 64 -11.147 7.413 -10.779 1.00 51.42 H new ATOM 0 HG21 ILE A 64 -13.304 8.684 -11.120 1.00 32.31 H new ATOM 0 HG22 ILE A 64 -13.546 10.238 -10.287 1.00 32.31 H new ATOM 0 HG23 ILE A 64 -12.451 10.139 -11.686 1.00 32.31 H new ATOM 0 HD11 ILE A 64 -9.389 8.218 -12.278 1.00 65.02 H new ATOM 0 HD12 ILE A 64 -10.902 9.114 -12.552 1.00 65.02 H new ATOM 0 HD13 ILE A 64 -9.576 9.866 -11.634 1.00 65.02 H new ATOM 992 N CYS A 65 -12.295 11.298 -7.522 1.00 4.42 N ATOM 993 CA CYS A 65 -13.268 12.115 -6.807 1.00 1.54 C ATOM 994 C CYS A 65 -12.807 13.566 -6.729 1.00 40.34 C ATOM 995 O CYS A 65 -13.523 14.479 -7.140 1.00 4.45 O ATOM 996 CB CYS A 65 -13.493 11.561 -5.399 1.00 74.25 C ATOM 997 SG CYS A 65 -14.746 12.452 -4.447 1.00 23.12 S ATOM 0 H CYS A 65 -11.871 10.560 -6.960 1.00 4.42 H new ATOM 0 HA CYS A 65 -14.208 12.082 -7.357 1.00 1.54 H new ATOM 0 HB2 CYS A 65 -13.786 10.514 -5.475 1.00 74.25 H new ATOM 0 HB3 CYS A 65 -12.550 11.589 -4.854 1.00 74.25 H new ATOM 0 HG CYS A 65 -14.866 11.909 -3.272 1.00 23.12 H new ATOM 1003 N ASP A 66 -11.607 13.772 -6.196 1.00 30.11 N ATOM 1004 CA ASP A 66 -11.050 15.113 -6.063 1.00 64.30 C ATOM 1005 C ASP A 66 -10.836 15.751 -7.432 1.00 55.40 C ATOM 1006 O ASP A 66 -11.305 16.861 -7.691 1.00 0.45 O ATOM 1007 CB ASP A 66 -9.726 15.065 -5.297 1.00 11.32 C ATOM 1008 CG ASP A 66 -9.918 14.723 -3.832 1.00 31.40 C ATOM 1009 OD1 ASP A 66 -9.582 13.586 -3.439 1.00 73.34 O ATOM 1010 OD2 ASP A 66 -10.402 15.593 -3.079 1.00 73.32 O ATOM 0 H ASP A 66 -11.002 13.028 -5.849 1.00 30.11 H new ATOM 0 HA ASP A 66 -11.762 15.722 -5.506 1.00 64.30 H new ATOM 0 HB2 ASP A 66 -9.070 14.326 -5.757 1.00 11.32 H new ATOM 0 HB3 ASP A 66 -9.226 16.030 -5.380 1.00 11.32 H new ATOM 1015 N LEU A 67 -10.126 15.045 -8.304 1.00 40.34 N ATOM 1016 CA LEU A 67 -9.849 15.543 -9.646 1.00 71.42 C ATOM 1017 C LEU A 67 -11.138 15.952 -10.352 1.00 21.14 C ATOM 1018 O LEU A 67 -11.185 16.974 -11.036 1.00 70.03 O ATOM 1019 CB LEU A 67 -9.120 14.477 -10.467 1.00 55.00 C ATOM 1020 CG LEU A 67 -8.439 14.964 -11.746 1.00 21.52 C ATOM 1021 CD1 LEU A 67 -7.197 14.137 -12.038 1.00 5.54 C ATOM 1022 CD2 LEU A 67 -9.406 14.910 -12.920 1.00 52.23 C ATOM 0 H LEU A 67 -9.731 14.126 -8.106 1.00 40.34 H new ATOM 0 HA LEU A 67 -9.211 16.422 -9.556 1.00 71.42 H new ATOM 0 HB2 LEU A 67 -8.366 14.011 -9.833 1.00 55.00 H new ATOM 0 HB3 LEU A 67 -9.836 13.700 -10.734 1.00 55.00 H new ATOM 0 HG LEU A 67 -8.134 16.000 -11.600 1.00 21.52 H new ATOM 0 HD11 LEU A 67 -6.726 14.498 -12.952 1.00 5.54 H new ATOM 0 HD12 LEU A 67 -6.496 14.228 -11.208 1.00 5.54 H new ATOM 0 HD13 LEU A 67 -7.477 13.091 -12.163 1.00 5.54 H new ATOM 0 HD21 LEU A 67 -8.904 15.260 -13.822 1.00 52.23 H new ATOM 0 HD22 LEU A 67 -9.742 13.884 -13.067 1.00 52.23 H new ATOM 0 HD23 LEU A 67 -10.266 15.547 -12.713 1.00 52.23 H new ATOM 1034 N GLN A 68 -12.181 15.147 -10.180 1.00 72.11 N ATOM 1035 CA GLN A 68 -13.472 15.427 -10.799 1.00 25.11 C ATOM 1036 C GLN A 68 -14.017 16.773 -10.335 1.00 15.54 C ATOM 1037 O GLN A 68 -14.395 17.613 -11.150 1.00 33.53 O ATOM 1038 CB GLN A 68 -14.471 14.316 -10.469 1.00 21.20 C ATOM 1039 CG GLN A 68 -15.870 14.579 -11.002 1.00 11.40 C ATOM 1040 CD GLN A 68 -16.605 13.303 -11.364 1.00 73.23 C ATOM 1041 OE1 GLN A 68 -16.862 13.033 -12.538 1.00 51.22 O ATOM 1042 NE2 GLN A 68 -16.950 12.511 -10.355 1.00 70.44 N ATOM 0 H GLN A 68 -12.158 14.296 -9.618 1.00 72.11 H new ATOM 0 HA GLN A 68 -13.329 15.467 -11.879 1.00 25.11 H new ATOM 0 HB2 GLN A 68 -14.105 13.375 -10.881 1.00 21.20 H new ATOM 0 HB3 GLN A 68 -14.520 14.193 -9.387 1.00 21.20 H new ATOM 0 HG2 GLN A 68 -16.444 15.124 -10.253 1.00 11.40 H new ATOM 0 HG3 GLN A 68 -15.805 15.219 -11.882 1.00 11.40 H new ATOM 0 HE21 GLN A 68 -16.717 12.774 -9.397 1.00 70.44 H new ATOM 0 HE22 GLN A 68 -17.448 11.640 -10.538 1.00 70.44 H new ATOM 1051 N GLU A 69 -14.057 16.969 -9.021 1.00 0.42 N ATOM 1052 CA GLU A 69 -14.559 18.213 -8.450 1.00 14.34 C ATOM 1053 C GLU A 69 -13.850 19.418 -9.062 1.00 13.23 C ATOM 1054 O GLU A 69 -14.478 20.432 -9.365 1.00 53.01 O ATOM 1055 CB GLU A 69 -14.372 18.215 -6.931 1.00 14.12 C ATOM 1056 CG GLU A 69 -15.642 17.889 -6.162 1.00 65.03 C ATOM 1057 CD GLU A 69 -15.977 18.939 -5.120 1.00 13.23 C ATOM 1058 OE1 GLU A 69 -15.927 20.142 -5.454 1.00 25.11 O ATOM 1059 OE2 GLU A 69 -16.291 18.560 -3.973 1.00 4.24 O ATOM 0 H GLU A 69 -13.748 16.283 -8.332 1.00 0.42 H new ATOM 0 HA GLU A 69 -15.622 18.284 -8.678 1.00 14.34 H new ATOM 0 HB2 GLU A 69 -13.601 17.491 -6.667 1.00 14.12 H new ATOM 0 HB3 GLU A 69 -14.009 19.194 -6.619 1.00 14.12 H new ATOM 0 HG2 GLU A 69 -16.473 17.798 -6.861 1.00 65.03 H new ATOM 0 HG3 GLU A 69 -15.529 16.921 -5.674 1.00 65.03 H new ATOM 1066 N ARG A 70 -12.539 19.297 -9.241 1.00 42.24 N ATOM 1067 CA ARG A 70 -11.744 20.376 -9.815 1.00 55.44 C ATOM 1068 C ARG A 70 -12.004 20.506 -11.312 1.00 1.23 C ATOM 1069 O ARG A 70 -12.054 21.611 -11.851 1.00 52.21 O ATOM 1070 CB ARG A 70 -10.256 20.130 -9.563 1.00 64.40 C ATOM 1071 CG ARG A 70 -9.686 20.953 -8.420 1.00 64.23 C ATOM 1072 CD ARG A 70 -8.505 21.796 -8.874 1.00 62.22 C ATOM 1073 NE ARG A 70 -8.184 22.850 -7.915 1.00 63.32 N ATOM 1074 CZ ARG A 70 -7.434 23.907 -8.207 1.00 21.23 C ATOM 1075 NH1 ARG A 70 -6.931 24.050 -9.426 1.00 14.21 N ATOM 1076 NH2 ARG A 70 -7.186 24.823 -7.281 1.00 62.30 N ATOM 0 H ARG A 70 -12.005 18.463 -8.997 1.00 42.24 H new ATOM 0 HA ARG A 70 -12.038 21.308 -9.332 1.00 55.44 H new ATOM 0 HB2 ARG A 70 -10.103 19.072 -9.349 1.00 64.40 H new ATOM 0 HB3 ARG A 70 -9.700 20.355 -10.473 1.00 64.40 H new ATOM 0 HG2 ARG A 70 -10.463 21.602 -8.015 1.00 64.23 H new ATOM 0 HG3 ARG A 70 -9.372 20.290 -7.614 1.00 64.23 H new ATOM 0 HD2 ARG A 70 -7.634 21.155 -9.013 1.00 62.22 H new ATOM 0 HD3 ARG A 70 -8.730 22.243 -9.842 1.00 62.22 H new ATOM 0 HE ARG A 70 -8.556 22.770 -6.969 1.00 63.32 H new ATOM 0 HH11 ARG A 70 -7.120 23.348 -10.141 1.00 14.21 H new ATOM 0 HH12 ARG A 70 -6.355 24.862 -9.648 1.00 14.21 H new ATOM 0 HH21 ARG A 70 -7.571 24.717 -6.343 1.00 62.30 H new ATOM 0 HH22 ARG A 70 -6.610 25.634 -7.507 1.00 62.30 H new ATOM 1090 N ARG A 71 -12.168 19.368 -11.980 1.00 44.14 N ATOM 1091 CA ARG A 71 -12.420 19.354 -13.415 1.00 32.13 C ATOM 1092 C ARG A 71 -13.664 20.170 -13.756 1.00 33.21 C ATOM 1093 O ARG A 71 -13.735 20.797 -14.813 1.00 40.53 O ATOM 1094 CB ARG A 71 -12.589 17.916 -13.911 1.00 51.14 C ATOM 1095 CG ARG A 71 -13.088 17.821 -15.344 1.00 5.33 C ATOM 1096 CD ARG A 71 -14.603 17.699 -15.399 1.00 3.12 C ATOM 1097 NE ARG A 71 -15.029 16.381 -15.864 1.00 34.24 N ATOM 1098 CZ ARG A 71 -16.283 16.088 -16.191 1.00 45.01 C ATOM 1099 NH1 ARG A 71 -17.228 17.014 -16.104 1.00 20.23 N ATOM 1100 NH2 ARG A 71 -16.593 14.866 -16.605 1.00 32.02 N ATOM 0 H ARG A 71 -12.131 18.444 -11.549 1.00 44.14 H new ATOM 0 HA ARG A 71 -11.562 19.805 -13.914 1.00 32.13 H new ATOM 0 HB2 ARG A 71 -11.633 17.399 -13.833 1.00 51.14 H new ATOM 0 HB3 ARG A 71 -13.287 17.395 -13.257 1.00 51.14 H new ATOM 0 HG2 ARG A 71 -12.773 18.704 -15.900 1.00 5.33 H new ATOM 0 HG3 ARG A 71 -12.634 16.958 -15.832 1.00 5.33 H new ATOM 0 HD2 ARG A 71 -15.018 17.886 -14.409 1.00 3.12 H new ATOM 0 HD3 ARG A 71 -15.005 18.465 -16.062 1.00 3.12 H new ATOM 0 HE ARG A 71 -14.326 15.646 -15.942 1.00 34.24 H new ATOM 0 HH11 ARG A 71 -16.993 17.954 -15.785 1.00 20.23 H new ATOM 0 HH12 ARG A 71 -18.190 16.786 -16.356 1.00 20.23 H new ATOM 0 HH21 ARG A 71 -15.868 14.151 -16.672 1.00 32.02 H new ATOM 0 HH22 ARG A 71 -17.556 14.641 -16.856 1.00 32.02 H new ATOM 1114 N GLU A 72 -14.641 20.156 -12.855 1.00 25.24 N ATOM 1115 CA GLU A 72 -15.882 20.894 -13.062 1.00 5.34 C ATOM 1116 C GLU A 72 -15.706 22.365 -12.702 1.00 43.33 C ATOM 1117 O GLU A 72 -15.868 23.247 -13.546 1.00 55.41 O ATOM 1118 CB GLU A 72 -17.009 20.283 -12.227 1.00 55.31 C ATOM 1119 CG GLU A 72 -17.850 19.271 -12.985 1.00 23.55 C ATOM 1120 CD GLU A 72 -19.161 18.963 -12.289 1.00 21.24 C ATOM 1121 OE1 GLU A 72 -19.253 19.198 -11.066 1.00 64.31 O ATOM 1122 OE2 GLU A 72 -20.096 18.486 -12.966 1.00 5.31 O ATOM 0 H GLU A 72 -14.598 19.642 -11.975 1.00 25.24 H new ATOM 0 HA GLU A 72 -16.144 20.826 -14.118 1.00 5.34 H new ATOM 0 HB2 GLU A 72 -16.579 19.800 -11.350 1.00 55.31 H new ATOM 0 HB3 GLU A 72 -17.656 21.082 -11.866 1.00 55.31 H new ATOM 0 HG2 GLU A 72 -18.055 19.651 -13.986 1.00 23.55 H new ATOM 0 HG3 GLU A 72 -17.281 18.349 -13.105 1.00 23.55 H new ATOM 1129 N LYS A 73 -15.373 22.624 -11.442 1.00 45.31 N ATOM 1130 CA LYS A 73 -15.173 23.989 -10.967 1.00 24.24 C ATOM 1131 C LYS A 73 -14.201 24.741 -11.870 1.00 54.35 C ATOM 1132 O LYS A 73 -14.316 25.955 -12.048 1.00 43.54 O ATOM 1133 CB LYS A 73 -14.649 23.979 -9.530 1.00 64.42 C ATOM 1134 CG LYS A 73 -15.278 25.041 -8.645 1.00 2.24 C ATOM 1135 CD LYS A 73 -14.349 25.447 -7.514 1.00 11.21 C ATOM 1136 CE LYS A 73 -13.365 26.519 -7.957 1.00 30.45 C ATOM 1137 NZ LYS A 73 -11.979 25.986 -8.074 1.00 54.30 N ATOM 0 H LYS A 73 -15.236 21.906 -10.730 1.00 45.31 H new ATOM 0 HA LYS A 73 -16.135 24.501 -10.992 1.00 24.24 H new ATOM 0 HB2 LYS A 73 -14.833 22.998 -9.092 1.00 64.42 H new ATOM 0 HB3 LYS A 73 -13.569 24.124 -9.545 1.00 64.42 H new ATOM 0 HG2 LYS A 73 -15.525 25.916 -9.246 1.00 2.24 H new ATOM 0 HG3 LYS A 73 -16.213 24.664 -8.231 1.00 2.24 H new ATOM 0 HD2 LYS A 73 -14.937 25.816 -6.674 1.00 11.21 H new ATOM 0 HD3 LYS A 73 -13.802 24.573 -7.160 1.00 11.21 H new ATOM 0 HE2 LYS A 73 -13.680 26.926 -8.918 1.00 30.45 H new ATOM 0 HE3 LYS A 73 -13.378 27.342 -7.242 1.00 30.45 H new ATOM 0 HZ1 LYS A 73 -11.476 26.489 -8.833 1.00 54.30 H new ATOM 0 HZ2 LYS A 73 -11.476 26.125 -7.174 1.00 54.30 H new ATOM 0 HZ3 LYS A 73 -12.015 24.971 -8.297 1.00 54.30 H new ATOM 1151 N PHE A 74 -13.244 24.015 -12.439 1.00 14.15 N ATOM 1152 CA PHE A 74 -12.253 24.615 -13.323 1.00 32.24 C ATOM 1153 C PHE A 74 -12.690 24.509 -14.782 1.00 53.45 C ATOM 1154 O PHE A 74 -12.267 25.297 -15.626 1.00 33.21 O ATOM 1155 CB PHE A 74 -10.894 23.937 -13.135 1.00 21.35 C ATOM 1156 CG PHE A 74 -9.771 24.638 -13.845 1.00 24.12 C ATOM 1157 CD1 PHE A 74 -9.109 24.026 -14.896 1.00 60.11 C ATOM 1158 CD2 PHE A 74 -9.378 25.910 -13.459 1.00 22.02 C ATOM 1159 CE1 PHE A 74 -8.075 24.669 -15.551 1.00 71.41 C ATOM 1160 CE2 PHE A 74 -8.344 26.557 -14.110 1.00 34.11 C ATOM 1161 CZ PHE A 74 -7.691 25.936 -15.156 1.00 11.13 C ATOM 0 H PHE A 74 -13.134 23.010 -12.303 1.00 14.15 H new ATOM 0 HA PHE A 74 -12.164 25.670 -13.065 1.00 32.24 H new ATOM 0 HB2 PHE A 74 -10.666 23.888 -12.070 1.00 21.35 H new ATOM 0 HB3 PHE A 74 -10.956 22.910 -13.495 1.00 21.35 H new ATOM 0 HD1 PHE A 74 -9.404 23.035 -15.208 1.00 60.11 H new ATOM 0 HD2 PHE A 74 -9.885 26.401 -12.641 1.00 22.02 H new ATOM 0 HE1 PHE A 74 -7.568 24.181 -16.371 1.00 71.41 H new ATOM 0 HE2 PHE A 74 -8.047 27.548 -13.800 1.00 34.11 H new ATOM 0 HZ PHE A 74 -6.882 26.439 -15.664 1.00 11.13 H new ATOM 1171 N GLY A 75 -13.539 23.527 -15.069 1.00 22.24 N ATOM 1172 CA GLY A 75 -14.019 23.334 -16.425 1.00 34.11 C ATOM 1173 C GLY A 75 -13.260 22.246 -17.159 1.00 75.13 C ATOM 1174 O GLY A 75 -12.226 21.776 -16.688 1.00 64.02 O ATOM 0 H GLY A 75 -13.903 22.862 -14.387 1.00 22.24 H new ATOM 0 HA2 GLY A 75 -15.079 23.080 -16.399 1.00 34.11 H new ATOM 0 HA3 GLY A 75 -13.929 24.270 -16.976 1.00 34.11 H new ATOM 1178 N SER A 76 -13.777 21.845 -18.316 1.00 33.54 N ATOM 1179 CA SER A 76 -13.145 20.802 -19.115 1.00 44.33 C ATOM 1180 C SER A 76 -12.005 21.374 -19.953 1.00 51.30 C ATOM 1181 O SER A 76 -12.161 22.401 -20.613 1.00 24.20 O ATOM 1182 CB SER A 76 -14.175 20.131 -20.026 1.00 62.14 C ATOM 1183 OG SER A 76 -15.476 20.211 -19.468 1.00 22.44 O ATOM 0 H SER A 76 -14.632 22.227 -18.721 1.00 33.54 H new ATOM 0 HA SER A 76 -12.734 20.057 -18.433 1.00 44.33 H new ATOM 0 HB2 SER A 76 -14.166 20.609 -21.005 1.00 62.14 H new ATOM 0 HB3 SER A 76 -13.905 19.086 -20.179 1.00 62.14 H new ATOM 0 HG SER A 76 -16.117 19.777 -20.069 1.00 22.44 H new ATOM 1189 N SER A 77 -10.859 20.702 -19.919 1.00 73.45 N ATOM 1190 CA SER A 77 -9.691 21.145 -20.671 1.00 63.13 C ATOM 1191 C SER A 77 -8.887 19.952 -21.180 1.00 44.40 C ATOM 1192 O SER A 77 -9.091 18.819 -20.742 1.00 42.41 O ATOM 1193 CB SER A 77 -8.804 22.037 -19.799 1.00 35.04 C ATOM 1194 OG SER A 77 -8.027 21.263 -18.901 1.00 35.14 O ATOM 0 H SER A 77 -10.714 19.849 -19.379 1.00 73.45 H new ATOM 0 HA SER A 77 -10.040 21.719 -21.529 1.00 63.13 H new ATOM 0 HB2 SER A 77 -8.147 22.633 -20.433 1.00 35.04 H new ATOM 0 HB3 SER A 77 -9.425 22.736 -19.238 1.00 35.04 H new ATOM 0 HG SER A 77 -7.468 21.856 -18.357 1.00 35.14 H new ATOM 1200 N LYS A 78 -7.973 20.214 -22.107 1.00 71.04 N ATOM 1201 CA LYS A 78 -7.136 19.164 -22.676 1.00 41.15 C ATOM 1202 C LYS A 78 -6.339 18.454 -21.587 1.00 44.44 C ATOM 1203 O LYS A 78 -6.196 17.233 -21.607 1.00 3.15 O ATOM 1204 CB LYS A 78 -6.184 19.752 -23.719 1.00 63.52 C ATOM 1205 CG LYS A 78 -5.880 18.806 -24.868 1.00 15.24 C ATOM 1206 CD LYS A 78 -6.507 19.285 -26.166 1.00 15.55 C ATOM 1207 CE LYS A 78 -5.526 20.103 -26.991 1.00 12.14 C ATOM 1208 NZ LYS A 78 -4.846 19.275 -28.026 1.00 55.22 N ATOM 0 H LYS A 78 -7.792 21.146 -22.481 1.00 71.04 H new ATOM 0 HA LYS A 78 -7.788 18.435 -23.158 1.00 41.15 H new ATOM 0 HB2 LYS A 78 -6.618 20.668 -24.119 1.00 63.52 H new ATOM 0 HB3 LYS A 78 -5.250 20.029 -23.231 1.00 63.52 H new ATOM 0 HG2 LYS A 78 -4.801 18.721 -24.994 1.00 15.24 H new ATOM 0 HG3 LYS A 78 -6.253 17.810 -24.629 1.00 15.24 H new ATOM 0 HD2 LYS A 78 -6.845 18.426 -26.747 1.00 15.55 H new ATOM 0 HD3 LYS A 78 -7.388 19.887 -25.945 1.00 15.55 H new ATOM 0 HE2 LYS A 78 -6.054 20.925 -27.473 1.00 12.14 H new ATOM 0 HE3 LYS A 78 -4.779 20.547 -26.333 1.00 12.14 H new ATOM 0 HZ1 LYS A 78 -4.186 19.869 -28.567 1.00 55.22 H new ATOM 0 HZ2 LYS A 78 -4.321 18.505 -27.565 1.00 55.22 H new ATOM 0 HZ3 LYS A 78 -5.556 18.872 -28.670 1.00 55.22 H new ATOM 1222 N GLU A 79 -5.823 19.228 -20.637 1.00 4.01 N ATOM 1223 CA GLU A 79 -5.041 18.671 -19.539 1.00 22.30 C ATOM 1224 C GLU A 79 -5.920 17.832 -18.616 1.00 31.33 C ATOM 1225 O GLU A 79 -5.687 16.635 -18.440 1.00 51.14 O ATOM 1226 CB GLU A 79 -4.369 19.791 -18.742 1.00 23.54 C ATOM 1227 CG GLU A 79 -3.399 20.624 -19.564 1.00 54.24 C ATOM 1228 CD GLU A 79 -2.835 21.798 -18.786 1.00 1.13 C ATOM 1229 OE1 GLU A 79 -1.753 21.643 -18.182 1.00 63.21 O ATOM 1230 OE2 GLU A 79 -3.476 22.869 -18.780 1.00 73.23 O ATOM 0 H GLU A 79 -5.932 20.242 -20.606 1.00 4.01 H new ATOM 0 HA GLU A 79 -4.272 18.027 -19.965 1.00 22.30 H new ATOM 0 HB2 GLU A 79 -5.138 20.445 -18.330 1.00 23.54 H new ATOM 0 HB3 GLU A 79 -3.835 19.355 -17.897 1.00 23.54 H new ATOM 0 HG2 GLU A 79 -2.580 19.991 -19.904 1.00 54.24 H new ATOM 0 HG3 GLU A 79 -3.907 20.993 -20.455 1.00 54.24 H new ATOM 1237 N ILE A 80 -6.928 18.467 -18.030 1.00 31.44 N ATOM 1238 CA ILE A 80 -7.841 17.780 -17.126 1.00 15.42 C ATOM 1239 C ILE A 80 -8.493 16.581 -17.808 1.00 73.44 C ATOM 1240 O ILE A 80 -8.887 15.618 -17.151 1.00 74.21 O ATOM 1241 CB ILE A 80 -8.944 18.726 -16.613 1.00 21.43 C ATOM 1242 CG1 ILE A 80 -8.325 19.906 -15.862 1.00 64.32 C ATOM 1243 CG2 ILE A 80 -9.915 17.971 -15.717 1.00 2.14 C ATOM 1244 CD1 ILE A 80 -7.618 19.506 -14.586 1.00 72.03 C ATOM 0 H ILE A 80 -7.133 19.457 -18.165 1.00 31.44 H new ATOM 0 HA ILE A 80 -7.246 17.435 -16.280 1.00 15.42 H new ATOM 0 HB ILE A 80 -9.497 19.114 -17.469 1.00 21.43 H new ATOM 0 HG12 ILE A 80 -7.616 20.412 -16.517 1.00 64.32 H new ATOM 0 HG13 ILE A 80 -9.108 20.626 -15.624 1.00 64.32 H new ATOM 0 HG21 ILE A 80 -10.688 18.653 -15.363 1.00 2.14 H new ATOM 0 HG22 ILE A 80 -10.376 17.161 -16.282 1.00 2.14 H new ATOM 0 HG23 ILE A 80 -9.377 17.558 -14.864 1.00 2.14 H new ATOM 0 HD11 ILE A 80 -7.204 20.393 -14.106 1.00 72.03 H new ATOM 0 HD12 ILE A 80 -8.328 19.027 -13.912 1.00 72.03 H new ATOM 0 HD13 ILE A 80 -6.812 18.810 -14.819 1.00 72.03 H new ATOM 1256 N ASP A 81 -8.601 16.648 -19.131 1.00 43.21 N ATOM 1257 CA ASP A 81 -9.201 15.566 -19.904 1.00 72.22 C ATOM 1258 C ASP A 81 -8.327 14.317 -19.860 1.00 42.24 C ATOM 1259 O ASP A 81 -8.759 13.261 -19.396 1.00 74.23 O ATOM 1260 CB ASP A 81 -9.413 16.005 -21.354 1.00 11.12 C ATOM 1261 CG ASP A 81 -9.813 14.852 -22.254 1.00 33.33 C ATOM 1262 OD1 ASP A 81 -10.977 14.407 -22.166 1.00 12.12 O ATOM 1263 OD2 ASP A 81 -8.964 14.397 -23.047 1.00 61.11 O ATOM 0 H ASP A 81 -8.281 17.439 -19.690 1.00 43.21 H new ATOM 0 HA ASP A 81 -10.167 15.327 -19.460 1.00 72.22 H new ATOM 0 HB2 ASP A 81 -10.184 16.774 -21.389 1.00 11.12 H new ATOM 0 HB3 ASP A 81 -8.496 16.456 -21.732 1.00 11.12 H new ATOM 1268 N MET A 82 -7.096 14.444 -20.347 1.00 15.50 N ATOM 1269 CA MET A 82 -6.163 13.324 -20.363 1.00 71.00 C ATOM 1270 C MET A 82 -5.798 12.901 -18.944 1.00 63.12 C ATOM 1271 O MET A 82 -5.373 11.769 -18.714 1.00 63.03 O ATOM 1272 CB MET A 82 -4.898 13.699 -21.138 1.00 53.34 C ATOM 1273 CG MET A 82 -4.926 13.264 -22.594 1.00 40.00 C ATOM 1274 SD MET A 82 -3.316 12.706 -23.184 1.00 41.34 S ATOM 1275 CE MET A 82 -2.856 14.069 -24.252 1.00 45.21 C ATOM 0 H MET A 82 -6.723 15.310 -20.735 1.00 15.50 H new ATOM 0 HA MET A 82 -6.649 12.484 -20.859 1.00 71.00 H new ATOM 0 HB2 MET A 82 -4.761 14.779 -21.093 1.00 53.34 H new ATOM 0 HB3 MET A 82 -4.035 13.247 -20.649 1.00 53.34 H new ATOM 0 HG2 MET A 82 -5.652 12.460 -22.715 1.00 40.00 H new ATOM 0 HG3 MET A 82 -5.266 14.096 -23.211 1.00 40.00 H new ATOM 0 HE1 MET A 82 -1.879 13.872 -24.693 1.00 45.21 H new ATOM 0 HE2 MET A 82 -3.597 14.177 -25.044 1.00 45.21 H new ATOM 0 HE3 MET A 82 -2.812 14.989 -23.669 1.00 45.21 H new ATOM 1285 N ALA A 83 -5.965 13.817 -17.995 1.00 21.34 N ATOM 1286 CA ALA A 83 -5.655 13.537 -16.599 1.00 21.40 C ATOM 1287 C ALA A 83 -6.606 12.494 -16.024 1.00 44.41 C ATOM 1288 O ALA A 83 -6.177 11.428 -15.578 1.00 72.53 O ATOM 1289 CB ALA A 83 -5.713 14.817 -15.779 1.00 51.12 C ATOM 0 H ALA A 83 -6.314 14.760 -18.168 1.00 21.34 H new ATOM 0 HA ALA A 83 -4.644 13.133 -16.551 1.00 21.40 H new ATOM 0 HB1 ALA A 83 -5.479 14.593 -14.738 1.00 51.12 H new ATOM 0 HB2 ALA A 83 -4.988 15.532 -16.168 1.00 51.12 H new ATOM 0 HB3 ALA A 83 -6.714 15.245 -15.842 1.00 51.12 H new ATOM 1295 N ILE A 84 -7.897 12.806 -16.036 1.00 70.21 N ATOM 1296 CA ILE A 84 -8.908 11.894 -15.515 1.00 44.10 C ATOM 1297 C ILE A 84 -8.912 10.579 -16.286 1.00 21.41 C ATOM 1298 O ILE A 84 -9.057 9.505 -15.703 1.00 44.03 O ATOM 1299 CB ILE A 84 -10.314 12.517 -15.579 1.00 34.33 C ATOM 1300 CG1 ILE A 84 -11.358 11.529 -15.056 1.00 54.13 C ATOM 1301 CG2 ILE A 84 -10.643 12.938 -17.004 1.00 75.30 C ATOM 1302 CD1 ILE A 84 -12.290 12.125 -14.023 1.00 32.25 C ATOM 0 H ILE A 84 -8.268 13.683 -16.401 1.00 70.21 H new ATOM 0 HA ILE A 84 -8.652 11.701 -14.473 1.00 44.10 H new ATOM 0 HB ILE A 84 -10.331 13.404 -14.946 1.00 34.33 H new ATOM 0 HG12 ILE A 84 -11.948 11.158 -15.894 1.00 54.13 H new ATOM 0 HG13 ILE A 84 -10.848 10.670 -14.620 1.00 54.13 H new ATOM 0 HG21 ILE A 84 -11.640 13.377 -17.033 1.00 75.30 H new ATOM 0 HG22 ILE A 84 -9.913 13.673 -17.344 1.00 75.30 H new ATOM 0 HG23 ILE A 84 -10.611 12.066 -17.657 1.00 75.30 H new ATOM 0 HD11 ILE A 84 -13.003 11.368 -13.697 1.00 32.25 H new ATOM 0 HD12 ILE A 84 -11.711 12.471 -13.167 1.00 32.25 H new ATOM 0 HD13 ILE A 84 -12.828 12.966 -14.460 1.00 32.25 H new ATOM 1314 N VAL A 85 -8.748 10.670 -17.603 1.00 52.11 N ATOM 1315 CA VAL A 85 -8.730 9.487 -18.455 1.00 63.24 C ATOM 1316 C VAL A 85 -7.574 8.564 -18.088 1.00 10.20 C ATOM 1317 O VAL A 85 -7.695 7.340 -18.158 1.00 14.01 O ATOM 1318 CB VAL A 85 -8.615 9.869 -19.943 1.00 65.34 C ATOM 1319 CG1 VAL A 85 -8.526 8.622 -20.809 1.00 43.10 C ATOM 1320 CG2 VAL A 85 -9.791 10.738 -20.363 1.00 41.32 C ATOM 0 H VAL A 85 -8.626 11.551 -18.102 1.00 52.11 H new ATOM 0 HA VAL A 85 -9.673 8.965 -18.293 1.00 63.24 H new ATOM 0 HB VAL A 85 -7.700 10.445 -20.083 1.00 65.34 H new ATOM 0 HG11 VAL A 85 -8.445 8.912 -21.857 1.00 43.10 H new ATOM 0 HG12 VAL A 85 -7.648 8.043 -20.524 1.00 43.10 H new ATOM 0 HG13 VAL A 85 -9.421 8.016 -20.668 1.00 43.10 H new ATOM 0 HG21 VAL A 85 -9.693 10.998 -21.417 1.00 41.32 H new ATOM 0 HG22 VAL A 85 -10.721 10.191 -20.209 1.00 41.32 H new ATOM 0 HG23 VAL A 85 -9.803 11.649 -19.764 1.00 41.32 H new ATOM 1330 N THR A 86 -6.452 9.157 -17.695 1.00 43.14 N ATOM 1331 CA THR A 86 -5.273 8.388 -17.316 1.00 61.24 C ATOM 1332 C THR A 86 -5.487 7.669 -15.989 1.00 54.22 C ATOM 1333 O THR A 86 -5.348 6.448 -15.903 1.00 60.11 O ATOM 1334 CB THR A 86 -4.027 9.288 -17.204 1.00 52.52 C ATOM 1335 OG1 THR A 86 -3.681 9.809 -18.491 1.00 23.33 O ATOM 1336 CG2 THR A 86 -2.850 8.514 -16.631 1.00 42.45 C ATOM 0 H THR A 86 -6.334 10.168 -17.631 1.00 43.14 H new ATOM 0 HA THR A 86 -5.111 7.651 -18.103 1.00 61.24 H new ATOM 0 HB THR A 86 -4.261 10.112 -16.531 1.00 52.52 H new ATOM 0 HG1 THR A 86 -4.119 10.676 -18.622 1.00 23.33 H new ATOM 0 HG21 THR A 86 -1.982 9.170 -16.561 1.00 42.45 H new ATOM 0 HG22 THR A 86 -3.106 8.145 -15.638 1.00 42.45 H new ATOM 0 HG23 THR A 86 -2.617 7.672 -17.282 1.00 42.45 H new ATOM 1344 N LEU A 87 -5.828 8.432 -14.957 1.00 71.11 N ATOM 1345 CA LEU A 87 -6.064 7.868 -13.632 1.00 0.13 C ATOM 1346 C LEU A 87 -7.081 6.733 -13.697 1.00 33.22 C ATOM 1347 O LEU A 87 -7.034 5.795 -12.902 1.00 40.44 O ATOM 1348 CB LEU A 87 -6.554 8.953 -12.673 1.00 62.03 C ATOM 1349 CG LEU A 87 -6.114 8.810 -11.216 1.00 63.44 C ATOM 1350 CD1 LEU A 87 -6.679 7.535 -10.610 1.00 2.14 C ATOM 1351 CD2 LEU A 87 -4.595 8.823 -11.114 1.00 13.10 C ATOM 0 H LEU A 87 -5.947 9.444 -15.012 1.00 71.11 H new ATOM 0 HA LEU A 87 -5.121 7.466 -13.263 1.00 0.13 H new ATOM 0 HB2 LEU A 87 -6.209 9.919 -13.042 1.00 62.03 H new ATOM 0 HB3 LEU A 87 -7.643 8.971 -12.702 1.00 62.03 H new ATOM 0 HG LEU A 87 -6.504 9.659 -10.654 1.00 63.44 H new ATOM 0 HD11 LEU A 87 -6.355 7.451 -9.573 1.00 2.14 H new ATOM 0 HD12 LEU A 87 -7.768 7.565 -10.649 1.00 2.14 H new ATOM 0 HD13 LEU A 87 -6.320 6.674 -11.174 1.00 2.14 H new ATOM 0 HD21 LEU A 87 -4.300 8.720 -10.070 1.00 13.10 H new ATOM 0 HD22 LEU A 87 -4.185 7.994 -11.691 1.00 13.10 H new ATOM 0 HD23 LEU A 87 -4.212 9.764 -11.509 1.00 13.10 H new ATOM 1363 N LYS A 88 -8.001 6.824 -14.652 1.00 71.42 N ATOM 1364 CA LYS A 88 -9.028 5.805 -14.825 1.00 15.44 C ATOM 1365 C LYS A 88 -8.449 4.553 -15.476 1.00 31.45 C ATOM 1366 O LYS A 88 -8.358 3.499 -14.846 1.00 73.50 O ATOM 1367 CB LYS A 88 -10.178 6.349 -15.675 1.00 32.34 C ATOM 1368 CG LYS A 88 -10.972 7.450 -14.993 1.00 52.23 C ATOM 1369 CD LYS A 88 -12.260 6.916 -14.388 1.00 61.43 C ATOM 1370 CE LYS A 88 -13.330 7.994 -14.315 1.00 24.43 C ATOM 1371 NZ LYS A 88 -14.699 7.427 -14.457 1.00 3.04 N ATOM 0 H LYS A 88 -8.056 7.594 -15.318 1.00 71.42 H new ATOM 0 HA LYS A 88 -9.408 5.538 -13.839 1.00 15.44 H new ATOM 0 HB2 LYS A 88 -9.776 6.731 -16.613 1.00 32.34 H new ATOM 0 HB3 LYS A 88 -10.851 5.530 -15.927 1.00 32.34 H new ATOM 0 HG2 LYS A 88 -10.365 7.908 -14.212 1.00 52.23 H new ATOM 0 HG3 LYS A 88 -11.205 8.232 -15.715 1.00 52.23 H new ATOM 0 HD2 LYS A 88 -12.624 6.080 -14.985 1.00 61.43 H new ATOM 0 HD3 LYS A 88 -12.061 6.531 -13.388 1.00 61.43 H new ATOM 0 HE2 LYS A 88 -13.252 8.520 -13.363 1.00 24.43 H new ATOM 0 HE3 LYS A 88 -13.158 8.730 -15.101 1.00 24.43 H new ATOM 0 HZ1 LYS A 88 -15.246 8.004 -15.128 1.00 3.04 H new ATOM 0 HZ2 LYS A 88 -14.636 6.451 -14.811 1.00 3.04 H new ATOM 0 HZ3 LYS A 88 -15.174 7.430 -13.532 1.00 3.04 H new ATOM 1385 N VAL A 89 -8.058 4.676 -16.741 1.00 14.35 N ATOM 1386 CA VAL A 89 -7.485 3.555 -17.476 1.00 72.33 C ATOM 1387 C VAL A 89 -6.340 2.916 -16.699 1.00 31.13 C ATOM 1388 O VAL A 89 -6.123 1.706 -16.775 1.00 73.34 O ATOM 1389 CB VAL A 89 -6.970 3.996 -18.859 1.00 43.02 C ATOM 1390 CG1 VAL A 89 -5.833 4.996 -18.712 1.00 5.54 C ATOM 1391 CG2 VAL A 89 -6.527 2.789 -19.672 1.00 32.21 C ATOM 0 H VAL A 89 -8.128 5.541 -17.278 1.00 14.35 H new ATOM 0 HA VAL A 89 -8.282 2.823 -17.610 1.00 72.33 H new ATOM 0 HB VAL A 89 -7.785 4.485 -19.392 1.00 43.02 H new ATOM 0 HG11 VAL A 89 -5.482 5.296 -19.699 1.00 5.54 H new ATOM 0 HG12 VAL A 89 -6.188 5.873 -18.171 1.00 5.54 H new ATOM 0 HG13 VAL A 89 -5.013 4.536 -18.160 1.00 5.54 H new ATOM 0 HG21 VAL A 89 -6.166 3.119 -20.646 1.00 32.21 H new ATOM 0 HG22 VAL A 89 -5.726 2.270 -19.145 1.00 32.21 H new ATOM 0 HG23 VAL A 89 -7.371 2.112 -19.808 1.00 32.21 H new ATOM 1401 N PHE A 90 -5.609 3.735 -15.952 1.00 71.44 N ATOM 1402 CA PHE A 90 -4.485 3.251 -15.160 1.00 2.21 C ATOM 1403 C PHE A 90 -4.972 2.462 -13.949 1.00 12.44 C ATOM 1404 O PHE A 90 -4.408 1.424 -13.603 1.00 31.11 O ATOM 1405 CB PHE A 90 -3.613 4.422 -14.702 1.00 52.43 C ATOM 1406 CG PHE A 90 -2.227 4.014 -14.292 1.00 73.31 C ATOM 1407 CD1 PHE A 90 -1.122 4.453 -15.004 1.00 14.42 C ATOM 1408 CD2 PHE A 90 -2.029 3.191 -13.195 1.00 13.34 C ATOM 1409 CE1 PHE A 90 0.154 4.079 -14.629 1.00 3.21 C ATOM 1410 CE2 PHE A 90 -0.755 2.815 -12.815 1.00 12.43 C ATOM 1411 CZ PHE A 90 0.338 3.258 -13.533 1.00 32.24 C ATOM 0 H PHE A 90 -5.775 4.739 -15.878 1.00 71.44 H new ATOM 0 HA PHE A 90 -3.890 2.588 -15.789 1.00 2.21 H new ATOM 0 HB2 PHE A 90 -3.544 5.151 -15.510 1.00 52.43 H new ATOM 0 HB3 PHE A 90 -4.099 4.920 -13.863 1.00 52.43 H new ATOM 0 HD1 PHE A 90 -1.260 5.095 -15.862 1.00 14.42 H new ATOM 0 HD2 PHE A 90 -2.880 2.839 -12.631 1.00 13.34 H new ATOM 0 HE1 PHE A 90 1.007 4.428 -15.192 1.00 3.21 H new ATOM 0 HE2 PHE A 90 -0.614 2.175 -11.957 1.00 12.43 H new ATOM 0 HZ PHE A 90 1.334 2.963 -13.239 1.00 32.24 H new ATOM 1421 N ALA A 91 -6.024 2.961 -13.309 1.00 53.51 N ATOM 1422 CA ALA A 91 -6.589 2.302 -12.138 1.00 74.05 C ATOM 1423 C ALA A 91 -7.210 0.960 -12.509 1.00 74.15 C ATOM 1424 O ALA A 91 -7.092 -0.016 -11.768 1.00 21.41 O ATOM 1425 CB ALA A 91 -7.624 3.200 -11.476 1.00 54.23 C ATOM 0 H ALA A 91 -6.502 3.820 -13.582 1.00 53.51 H new ATOM 0 HA ALA A 91 -5.780 2.115 -11.431 1.00 74.05 H new ATOM 0 HB1 ALA A 91 -8.038 2.696 -10.603 1.00 54.23 H new ATOM 0 HB2 ALA A 91 -7.152 4.133 -11.167 1.00 54.23 H new ATOM 0 HB3 ALA A 91 -8.424 3.416 -12.184 1.00 54.23 H new ATOM 1431 N VAL A 92 -7.874 0.918 -13.660 1.00 74.32 N ATOM 1432 CA VAL A 92 -8.514 -0.305 -14.130 1.00 62.14 C ATOM 1433 C VAL A 92 -7.493 -1.258 -14.744 1.00 74.11 C ATOM 1434 O VAL A 92 -7.306 -2.375 -14.264 1.00 22.42 O ATOM 1435 CB VAL A 92 -9.608 -0.002 -15.170 1.00 31.04 C ATOM 1436 CG1 VAL A 92 -10.394 -1.261 -15.501 1.00 5.54 C ATOM 1437 CG2 VAL A 92 -10.532 1.097 -14.667 1.00 21.21 C ATOM 0 H VAL A 92 -7.983 1.717 -14.284 1.00 74.32 H new ATOM 0 HA VAL A 92 -8.971 -0.778 -13.261 1.00 62.14 H new ATOM 0 HB VAL A 92 -9.129 0.348 -16.084 1.00 31.04 H new ATOM 0 HG11 VAL A 92 -11.163 -1.027 -16.238 1.00 5.54 H new ATOM 0 HG12 VAL A 92 -9.720 -2.015 -15.907 1.00 5.54 H new ATOM 0 HG13 VAL A 92 -10.864 -1.645 -14.596 1.00 5.54 H new ATOM 0 HG21 VAL A 92 -11.299 1.298 -15.415 1.00 21.21 H new ATOM 0 HG22 VAL A 92 -11.005 0.778 -13.738 1.00 21.21 H new ATOM 0 HG23 VAL A 92 -9.955 2.004 -14.487 1.00 21.21 H new ATOM 1447 N ALA A 93 -6.837 -0.807 -15.808 1.00 42.02 N ATOM 1448 CA ALA A 93 -5.834 -1.618 -16.486 1.00 41.01 C ATOM 1449 C ALA A 93 -4.663 -1.931 -15.560 1.00 21.13 C ATOM 1450 O ALA A 93 -3.870 -2.832 -15.830 1.00 63.35 O ATOM 1451 CB ALA A 93 -5.342 -0.910 -17.740 1.00 33.34 C ATOM 0 H ALA A 93 -6.982 0.115 -16.219 1.00 42.02 H new ATOM 0 HA ALA A 93 -6.299 -2.561 -16.773 1.00 41.01 H new ATOM 0 HB1 ALA A 93 -4.593 -1.527 -18.236 1.00 33.34 H new ATOM 0 HB2 ALA A 93 -6.180 -0.743 -18.416 1.00 33.34 H new ATOM 0 HB3 ALA A 93 -4.899 0.048 -17.467 1.00 33.34 H new ATOM 1457 N GLY A 94 -4.561 -1.181 -14.467 1.00 33.42 N ATOM 1458 CA GLY A 94 -3.484 -1.393 -13.518 1.00 23.55 C ATOM 1459 C GLY A 94 -3.918 -2.220 -12.324 1.00 73.51 C ATOM 1460 O GLY A 94 -3.533 -3.383 -12.192 1.00 71.14 O ATOM 0 H GLY A 94 -5.206 -0.430 -14.222 1.00 33.42 H new ATOM 0 HA2 GLY A 94 -2.655 -1.892 -14.020 1.00 23.55 H new ATOM 0 HA3 GLY A 94 -3.113 -0.428 -13.172 1.00 23.55 H new ATOM 1464 N LEU A 95 -4.720 -1.619 -11.452 1.00 45.12 N ATOM 1465 CA LEU A 95 -5.205 -2.307 -10.260 1.00 21.45 C ATOM 1466 C LEU A 95 -5.995 -3.557 -10.637 1.00 43.43 C ATOM 1467 O LEU A 95 -5.819 -4.619 -10.038 1.00 72.20 O ATOM 1468 CB LEU A 95 -6.080 -1.369 -9.427 1.00 62.35 C ATOM 1469 CG LEU A 95 -5.790 -1.338 -7.925 1.00 32.34 C ATOM 1470 CD1 LEU A 95 -5.859 -2.739 -7.339 1.00 33.41 C ATOM 1471 CD2 LEU A 95 -4.429 -0.713 -7.658 1.00 30.51 C ATOM 0 H LEU A 95 -5.048 -0.658 -11.547 1.00 45.12 H new ATOM 0 HA LEU A 95 -4.341 -2.610 -9.668 1.00 21.45 H new ATOM 0 HB2 LEU A 95 -5.970 -0.358 -9.819 1.00 62.35 H new ATOM 0 HB3 LEU A 95 -7.122 -1.654 -9.570 1.00 62.35 H new ATOM 0 HG LEU A 95 -6.550 -0.726 -7.440 1.00 32.34 H new ATOM 0 HD11 LEU A 95 -5.650 -2.697 -6.270 1.00 33.41 H new ATOM 0 HD12 LEU A 95 -6.855 -3.151 -7.498 1.00 33.41 H new ATOM 0 HD13 LEU A 95 -5.121 -3.375 -7.828 1.00 33.41 H new ATOM 0 HD21 LEU A 95 -4.239 -0.699 -6.585 1.00 30.51 H new ATOM 0 HD22 LEU A 95 -3.656 -1.298 -8.156 1.00 30.51 H new ATOM 0 HD23 LEU A 95 -4.415 0.307 -8.042 1.00 30.51 H new ATOM 1483 N LEU A 96 -6.863 -3.423 -11.633 1.00 11.43 N ATOM 1484 CA LEU A 96 -7.678 -4.543 -12.091 1.00 31.34 C ATOM 1485 C LEU A 96 -6.951 -5.342 -13.168 1.00 34.43 C ATOM 1486 O LEU A 96 -7.445 -6.367 -13.635 1.00 33.25 O ATOM 1487 CB LEU A 96 -9.017 -4.036 -12.633 1.00 63.31 C ATOM 1488 CG LEU A 96 -10.259 -4.794 -12.167 1.00 11.32 C ATOM 1489 CD1 LEU A 96 -11.194 -3.870 -11.402 1.00 64.01 C ATOM 1490 CD2 LEU A 96 -10.979 -5.421 -13.353 1.00 73.12 C ATOM 0 H LEU A 96 -7.021 -2.551 -12.139 1.00 11.43 H new ATOM 0 HA LEU A 96 -7.861 -5.199 -11.240 1.00 31.34 H new ATOM 0 HB2 LEU A 96 -9.128 -2.989 -12.351 1.00 63.31 H new ATOM 0 HB3 LEU A 96 -8.982 -4.070 -13.722 1.00 63.31 H new ATOM 0 HG LEU A 96 -9.942 -5.593 -11.496 1.00 11.32 H new ATOM 0 HD11 LEU A 96 -12.073 -4.428 -11.078 1.00 64.01 H new ATOM 0 HD12 LEU A 96 -10.677 -3.470 -10.530 1.00 64.01 H new ATOM 0 HD13 LEU A 96 -11.504 -3.049 -12.049 1.00 64.01 H new ATOM 0 HD21 LEU A 96 -11.861 -5.957 -13.002 1.00 73.12 H new ATOM 0 HD22 LEU A 96 -11.283 -4.639 -14.049 1.00 73.12 H new ATOM 0 HD23 LEU A 96 -10.310 -6.117 -13.859 1.00 73.12 H new ATOM 1502 N ASN A 97 -5.772 -4.866 -13.557 1.00 52.53 N ATOM 1503 CA ASN A 97 -4.975 -5.537 -14.577 1.00 74.14 C ATOM 1504 C ASN A 97 -5.809 -5.812 -15.825 1.00 13.41 C ATOM 1505 O ASN A 97 -5.572 -6.784 -16.539 1.00 33.15 O ATOM 1506 CB ASN A 97 -4.407 -6.848 -14.029 1.00 33.54 C ATOM 1507 CG ASN A 97 -3.628 -6.648 -12.744 1.00 4.15 C ATOM 1508 OD1 ASN A 97 -4.202 -6.344 -11.698 1.00 10.24 O ATOM 1509 ND2 ASN A 97 -2.313 -6.820 -12.817 1.00 54.03 N ATOM 0 H ASN A 97 -5.348 -4.018 -13.181 1.00 52.53 H new ATOM 0 HA ASN A 97 -4.151 -4.879 -14.851 1.00 74.14 H new ATOM 0 HB2 ASN A 97 -5.223 -7.548 -13.851 1.00 33.54 H new ATOM 0 HB3 ASN A 97 -3.757 -7.300 -14.778 1.00 33.54 H new ATOM 0 HD21 ASN A 97 -1.736 -6.700 -11.984 1.00 54.03 H new ATOM 0 HD22 ASN A 97 -1.880 -7.072 -13.706 1.00 54.03 H new ATOM 1516 N MET A 98 -6.786 -4.947 -16.079 1.00 13.44 N ATOM 1517 CA MET A 98 -7.654 -5.096 -17.241 1.00 3.25 C ATOM 1518 C MET A 98 -6.892 -4.802 -18.530 1.00 10.12 C ATOM 1519 O MET A 98 -5.971 -3.984 -18.546 1.00 12.14 O ATOM 1520 CB MET A 98 -8.862 -4.165 -17.125 1.00 11.41 C ATOM 1521 CG MET A 98 -10.195 -4.873 -17.308 1.00 54.53 C ATOM 1522 SD MET A 98 -10.614 -5.127 -19.043 1.00 10.10 S ATOM 1523 CE MET A 98 -10.702 -6.914 -19.112 1.00 61.12 C ATOM 0 H MET A 98 -6.996 -4.137 -15.496 1.00 13.44 H new ATOM 0 HA MET A 98 -8.002 -6.128 -17.273 1.00 3.25 H new ATOM 0 HB2 MET A 98 -8.847 -3.684 -16.147 1.00 11.41 H new ATOM 0 HB3 MET A 98 -8.774 -3.375 -17.871 1.00 11.41 H new ATOM 0 HG2 MET A 98 -10.162 -5.837 -16.801 1.00 54.53 H new ATOM 0 HG3 MET A 98 -10.981 -4.288 -16.830 1.00 54.53 H new ATOM 0 HE1 MET A 98 -10.953 -7.227 -20.125 1.00 61.12 H new ATOM 0 HE2 MET A 98 -9.738 -7.337 -18.830 1.00 61.12 H new ATOM 0 HE3 MET A 98 -11.469 -7.267 -18.422 1.00 61.12 H new ATOM 1533 N THR A 99 -7.282 -5.474 -19.609 1.00 74.35 N ATOM 1534 CA THR A 99 -6.636 -5.285 -20.901 1.00 71.21 C ATOM 1535 C THR A 99 -7.495 -4.433 -21.827 1.00 34.40 C ATOM 1536 O THR A 99 -7.681 -4.764 -22.999 1.00 74.21 O ATOM 1537 CB THR A 99 -6.345 -6.634 -21.586 1.00 51.14 C ATOM 1538 OG1 THR A 99 -7.556 -7.387 -21.718 1.00 21.41 O ATOM 1539 CG2 THR A 99 -5.327 -7.436 -20.791 1.00 51.31 C ATOM 0 H THR A 99 -8.042 -6.154 -19.613 1.00 74.35 H new ATOM 0 HA THR A 99 -5.694 -4.771 -20.710 1.00 71.21 H new ATOM 0 HB THR A 99 -5.933 -6.433 -22.575 1.00 51.14 H new ATOM 0 HG1 THR A 99 -7.363 -8.242 -22.156 1.00 21.41 H new ATOM 0 HG21 THR A 99 -5.138 -8.384 -21.294 1.00 51.31 H new ATOM 0 HG22 THR A 99 -4.397 -6.872 -20.717 1.00 51.31 H new ATOM 0 HG23 THR A 99 -5.715 -7.627 -19.791 1.00 51.31 H new ATOM 1547 N VAL A 100 -8.019 -3.333 -21.296 1.00 54.15 N ATOM 1548 CA VAL A 100 -8.859 -2.432 -22.076 1.00 70.44 C ATOM 1549 C VAL A 100 -8.179 -2.041 -23.383 1.00 10.10 C ATOM 1550 O VAL A 100 -6.956 -1.907 -23.444 1.00 53.54 O ATOM 1551 CB VAL A 100 -9.197 -1.154 -21.285 1.00 61.14 C ATOM 1552 CG1 VAL A 100 -10.226 -1.451 -20.205 1.00 44.35 C ATOM 1553 CG2 VAL A 100 -7.937 -0.552 -20.681 1.00 31.21 C ATOM 0 H VAL A 100 -7.876 -3.044 -20.328 1.00 54.15 H new ATOM 0 HA VAL A 100 -9.781 -2.970 -22.295 1.00 70.44 H new ATOM 0 HB VAL A 100 -9.627 -0.425 -21.972 1.00 61.14 H new ATOM 0 HG11 VAL A 100 -10.452 -0.537 -19.657 1.00 44.35 H new ATOM 0 HG12 VAL A 100 -11.137 -1.833 -20.666 1.00 44.35 H new ATOM 0 HG13 VAL A 100 -9.827 -2.197 -19.518 1.00 44.35 H new ATOM 0 HG21 VAL A 100 -8.195 0.350 -20.126 1.00 31.21 H new ATOM 0 HG22 VAL A 100 -7.476 -1.274 -20.007 1.00 31.21 H new ATOM 0 HG23 VAL A 100 -7.236 -0.300 -21.477 1.00 31.21 H new ATOM 1563 N SER A 101 -8.980 -1.858 -24.429 1.00 5.24 N ATOM 1564 CA SER A 101 -8.455 -1.487 -25.737 1.00 34.31 C ATOM 1565 C SER A 101 -8.025 -0.023 -25.754 1.00 11.23 C ATOM 1566 O SER A 101 -6.913 0.306 -26.170 1.00 33.13 O ATOM 1567 CB SER A 101 -9.507 -1.733 -26.821 1.00 5.21 C ATOM 1568 OG SER A 101 -9.505 -3.088 -27.235 1.00 2.11 O ATOM 0 H SER A 101 -9.994 -1.961 -24.395 1.00 5.24 H new ATOM 0 HA SER A 101 -7.582 -2.107 -25.940 1.00 34.31 H new ATOM 0 HB2 SER A 101 -10.494 -1.467 -26.442 1.00 5.21 H new ATOM 0 HB3 SER A 101 -9.310 -1.088 -27.677 1.00 5.21 H new ATOM 0 HG SER A 101 -10.187 -3.220 -27.927 1.00 2.11 H new ATOM 1574 N THR A 102 -8.914 0.854 -25.298 1.00 72.22 N ATOM 1575 CA THR A 102 -8.629 2.282 -25.261 1.00 75.45 C ATOM 1576 C THR A 102 -8.847 2.851 -23.864 1.00 11.32 C ATOM 1577 O THR A 102 -9.599 2.291 -23.066 1.00 51.20 O ATOM 1578 CB THR A 102 -9.509 3.058 -26.261 1.00 5.14 C ATOM 1579 OG1 THR A 102 -10.852 3.138 -25.772 1.00 51.43 O ATOM 1580 CG2 THR A 102 -9.500 2.383 -27.624 1.00 0.12 C ATOM 0 H THR A 102 -9.838 0.599 -24.949 1.00 72.22 H new ATOM 0 HA THR A 102 -7.582 2.401 -25.540 1.00 75.45 H new ATOM 0 HB THR A 102 -9.101 4.063 -26.367 1.00 5.14 H new ATOM 0 HG1 THR A 102 -11.404 3.634 -26.412 1.00 51.43 H new ATOM 0 HG21 THR A 102 -10.127 2.948 -28.314 1.00 0.12 H new ATOM 0 HG22 THR A 102 -8.480 2.349 -28.006 1.00 0.12 H new ATOM 0 HG23 THR A 102 -9.886 1.368 -27.530 1.00 0.12 H new ATOM 1588 N ALA A 103 -8.186 3.966 -23.574 1.00 72.15 N ATOM 1589 CA ALA A 103 -8.310 4.612 -22.273 1.00 43.43 C ATOM 1590 C ALA A 103 -9.760 4.980 -21.979 1.00 41.44 C ATOM 1591 O ALA A 103 -10.208 4.912 -20.834 1.00 22.51 O ATOM 1592 CB ALA A 103 -7.425 5.848 -22.210 1.00 52.00 C ATOM 0 H ALA A 103 -7.559 4.441 -24.223 1.00 72.15 H new ATOM 0 HA ALA A 103 -7.981 3.905 -21.511 1.00 43.43 H new ATOM 0 HB1 ALA A 103 -7.528 6.320 -21.233 1.00 52.00 H new ATOM 0 HB2 ALA A 103 -6.385 5.560 -22.366 1.00 52.00 H new ATOM 0 HB3 ALA A 103 -7.727 6.551 -22.986 1.00 52.00 H new ATOM 1598 N ALA A 104 -10.488 5.372 -23.018 1.00 34.24 N ATOM 1599 CA ALA A 104 -11.888 5.751 -22.872 1.00 2.04 C ATOM 1600 C ALA A 104 -12.735 4.562 -22.430 1.00 40.43 C ATOM 1601 O ALA A 104 -13.509 4.659 -21.479 1.00 1.41 O ATOM 1602 CB ALA A 104 -12.420 6.323 -24.177 1.00 31.41 C ATOM 0 H ALA A 104 -10.131 5.436 -23.972 1.00 34.24 H new ATOM 0 HA ALA A 104 -11.952 6.518 -22.100 1.00 2.04 H new ATOM 0 HB1 ALA A 104 -13.466 6.601 -24.052 1.00 31.41 H new ATOM 0 HB2 ALA A 104 -11.840 7.204 -24.451 1.00 31.41 H new ATOM 0 HB3 ALA A 104 -12.335 5.574 -24.964 1.00 31.41 H new ATOM 1608 N ALA A 105 -12.582 3.441 -23.127 1.00 3.24 N ATOM 1609 CA ALA A 105 -13.332 2.233 -22.805 1.00 31.01 C ATOM 1610 C ALA A 105 -13.113 1.821 -21.354 1.00 52.53 C ATOM 1611 O ALA A 105 -14.053 1.436 -20.659 1.00 73.12 O ATOM 1612 CB ALA A 105 -12.936 1.101 -23.742 1.00 23.42 C ATOM 0 H ALA A 105 -11.946 3.344 -23.918 1.00 3.24 H new ATOM 0 HA ALA A 105 -14.392 2.447 -22.938 1.00 31.01 H new ATOM 0 HB1 ALA A 105 -13.504 0.205 -23.490 1.00 23.42 H new ATOM 0 HB2 ALA A 105 -13.150 1.389 -24.771 1.00 23.42 H new ATOM 0 HB3 ALA A 105 -11.870 0.897 -23.636 1.00 23.42 H new ATOM 1618 N ALA A 106 -11.866 1.904 -20.901 1.00 23.13 N ATOM 1619 CA ALA A 106 -11.524 1.542 -19.531 1.00 13.25 C ATOM 1620 C ALA A 106 -12.245 2.438 -18.530 1.00 2.04 C ATOM 1621 O ALA A 106 -12.879 1.952 -17.594 1.00 52.13 O ATOM 1622 CB ALA A 106 -10.019 1.620 -19.325 1.00 4.52 C ATOM 0 H ALA A 106 -11.076 2.219 -21.463 1.00 23.13 H new ATOM 0 HA ALA A 106 -11.850 0.516 -19.360 1.00 13.25 H new ATOM 0 HB1 ALA A 106 -9.778 1.347 -18.298 1.00 4.52 H new ATOM 0 HB2 ALA A 106 -9.522 0.932 -20.009 1.00 4.52 H new ATOM 0 HB3 ALA A 106 -9.677 2.636 -19.520 1.00 4.52 H new ATOM 1628 N GLU A 107 -12.143 3.747 -18.735 1.00 75.13 N ATOM 1629 CA GLU A 107 -12.784 4.711 -17.848 1.00 53.21 C ATOM 1630 C GLU A 107 -14.303 4.568 -17.898 1.00 53.53 C ATOM 1631 O GLU A 107 -14.989 4.779 -16.898 1.00 3.25 O ATOM 1632 CB GLU A 107 -12.383 6.137 -18.231 1.00 43.23 C ATOM 1633 CG GLU A 107 -13.177 7.209 -17.505 1.00 64.14 C ATOM 1634 CD GLU A 107 -14.300 7.777 -18.351 1.00 43.44 C ATOM 1635 OE1 GLU A 107 -14.042 8.729 -19.116 1.00 23.42 O ATOM 1636 OE2 GLU A 107 -15.436 7.269 -18.247 1.00 71.13 O ATOM 0 H GLU A 107 -11.623 4.164 -19.507 1.00 75.13 H new ATOM 0 HA GLU A 107 -12.449 4.509 -16.831 1.00 53.21 H new ATOM 0 HB2 GLU A 107 -11.323 6.276 -18.019 1.00 43.23 H new ATOM 0 HB3 GLU A 107 -12.513 6.266 -19.306 1.00 43.23 H new ATOM 0 HG2 GLU A 107 -13.594 6.790 -16.589 1.00 64.14 H new ATOM 0 HG3 GLU A 107 -12.506 8.016 -17.210 1.00 64.14 H new ATOM 1643 N ASN A 108 -14.820 4.210 -19.068 1.00 41.42 N ATOM 1644 CA ASN A 108 -16.257 4.040 -19.249 1.00 4.11 C ATOM 1645 C ASN A 108 -16.797 2.952 -18.324 1.00 33.34 C ATOM 1646 O ASN A 108 -17.795 3.151 -17.633 1.00 45.13 O ATOM 1647 CB ASN A 108 -16.571 3.689 -20.705 1.00 55.02 C ATOM 1648 CG ASN A 108 -17.737 4.490 -21.253 1.00 74.53 C ATOM 1649 OD1 ASN A 108 -18.886 4.283 -20.862 1.00 43.15 O ATOM 1650 ND2 ASN A 108 -17.445 5.410 -22.166 1.00 43.33 N ATOM 0 H ASN A 108 -14.266 4.032 -19.905 1.00 41.42 H new ATOM 0 HA ASN A 108 -16.744 4.982 -18.996 1.00 4.11 H new ATOM 0 HB2 ASN A 108 -15.688 3.871 -21.318 1.00 55.02 H new ATOM 0 HB3 ASN A 108 -16.797 2.625 -20.779 1.00 55.02 H new ATOM 0 HD21 ASN A 108 -18.188 5.979 -22.572 1.00 43.33 H new ATOM 0 HD22 ASN A 108 -16.478 5.547 -22.460 1.00 43.33 H new ATOM 1657 N MET A 109 -16.130 1.803 -18.320 1.00 42.23 N ATOM 1658 CA MET A 109 -16.541 0.684 -17.480 1.00 22.13 C ATOM 1659 C MET A 109 -16.248 0.971 -16.010 1.00 10.14 C ATOM 1660 O MET A 109 -16.901 0.427 -15.120 1.00 13.02 O ATOM 1661 CB MET A 109 -15.827 -0.597 -17.914 1.00 50.33 C ATOM 1662 CG MET A 109 -14.323 -0.558 -17.698 1.00 51.54 C ATOM 1663 SD MET A 109 -13.565 -2.191 -17.787 1.00 63.21 S ATOM 1664 CE MET A 109 -13.369 -2.570 -16.048 1.00 51.23 C ATOM 0 H MET A 109 -15.303 1.622 -18.889 1.00 42.23 H new ATOM 0 HA MET A 109 -17.616 0.549 -17.598 1.00 22.13 H new ATOM 0 HB2 MET A 109 -16.243 -1.440 -17.362 1.00 50.33 H new ATOM 0 HB3 MET A 109 -16.030 -0.776 -18.970 1.00 50.33 H new ATOM 0 HG2 MET A 109 -13.869 0.090 -18.448 1.00 51.54 H new ATOM 0 HG3 MET A 109 -14.111 -0.116 -16.724 1.00 51.54 H new ATOM 0 HE1 MET A 109 -12.501 -3.215 -15.912 1.00 51.23 H new ATOM 0 HE2 MET A 109 -13.226 -1.646 -15.488 1.00 51.23 H new ATOM 0 HE3 MET A 109 -14.261 -3.080 -15.684 1.00 51.23 H new ATOM 1674 N TYR A 110 -15.263 1.827 -15.764 1.00 32.24 N ATOM 1675 CA TYR A 110 -14.882 2.184 -14.403 1.00 22.33 C ATOM 1676 C TYR A 110 -15.993 2.972 -13.715 1.00 63.41 C ATOM 1677 O TYR A 110 -16.255 2.788 -12.528 1.00 54.54 O ATOM 1678 CB TYR A 110 -13.590 3.003 -14.411 1.00 24.23 C ATOM 1679 CG TYR A 110 -13.193 3.520 -13.047 1.00 54.12 C ATOM 1680 CD1 TYR A 110 -13.700 4.720 -12.563 1.00 2.43 C ATOM 1681 CD2 TYR A 110 -12.311 2.810 -12.242 1.00 74.31 C ATOM 1682 CE1 TYR A 110 -13.340 5.197 -11.318 1.00 74.04 C ATOM 1683 CE2 TYR A 110 -11.946 3.279 -10.995 1.00 52.31 C ATOM 1684 CZ TYR A 110 -12.464 4.473 -10.537 1.00 21.31 C ATOM 1685 OH TYR A 110 -12.102 4.944 -9.295 1.00 20.13 O ATOM 0 H TYR A 110 -14.713 2.287 -16.490 1.00 32.24 H new ATOM 0 HA TYR A 110 -14.717 1.262 -13.845 1.00 22.33 H new ATOM 0 HB2 TYR A 110 -12.782 2.388 -14.806 1.00 24.23 H new ATOM 0 HB3 TYR A 110 -13.709 3.847 -15.090 1.00 24.23 H new ATOM 0 HD1 TYR A 110 -14.387 5.289 -13.171 1.00 2.43 H new ATOM 0 HD2 TYR A 110 -11.904 1.875 -12.597 1.00 74.31 H new ATOM 0 HE1 TYR A 110 -13.742 6.132 -10.958 1.00 74.04 H new ATOM 0 HE2 TYR A 110 -11.259 2.714 -10.382 1.00 52.31 H new ATOM 0 HH TYR A 110 -11.479 4.314 -8.875 1.00 20.13 H new ATOM 1695 N SER A 111 -16.643 3.850 -14.473 1.00 61.03 N ATOM 1696 CA SER A 111 -17.723 4.670 -13.936 1.00 23.45 C ATOM 1697 C SER A 111 -19.075 4.000 -14.162 1.00 41.52 C ATOM 1698 O SER A 111 -19.991 4.139 -13.350 1.00 31.41 O ATOM 1699 CB SER A 111 -17.712 6.054 -14.587 1.00 53.32 C ATOM 1700 OG SER A 111 -19.031 6.533 -14.789 1.00 30.33 O ATOM 0 H SER A 111 -16.441 4.012 -15.460 1.00 61.03 H new ATOM 0 HA SER A 111 -17.565 4.780 -12.863 1.00 23.45 H new ATOM 0 HB2 SER A 111 -17.161 6.752 -13.956 1.00 53.32 H new ATOM 0 HB3 SER A 111 -17.189 6.006 -15.542 1.00 53.32 H new ATOM 0 HG SER A 111 -18.997 7.420 -15.205 1.00 30.33 H new ATOM 1706 N GLN A 112 -19.191 3.273 -15.268 1.00 12.25 N ATOM 1707 CA GLN A 112 -20.432 2.582 -15.601 1.00 61.14 C ATOM 1708 C GLN A 112 -20.820 1.599 -14.501 1.00 73.21 C ATOM 1709 O GLN A 112 -21.958 1.596 -14.031 1.00 23.40 O ATOM 1710 CB GLN A 112 -20.288 1.844 -16.933 1.00 2.41 C ATOM 1711 CG GLN A 112 -20.614 2.703 -18.144 1.00 43.22 C ATOM 1712 CD GLN A 112 -22.030 2.496 -18.643 1.00 52.41 C ATOM 1713 OE1 GLN A 112 -22.988 2.569 -17.873 1.00 12.45 O ATOM 1714 NE2 GLN A 112 -22.170 2.235 -19.937 1.00 72.35 N ATOM 0 H GLN A 112 -18.442 3.147 -15.949 1.00 12.25 H new ATOM 0 HA GLN A 112 -21.221 3.329 -15.691 1.00 61.14 H new ATOM 0 HB2 GLN A 112 -19.267 1.474 -17.025 1.00 2.41 H new ATOM 0 HB3 GLN A 112 -20.944 0.973 -16.929 1.00 2.41 H new ATOM 0 HG2 GLN A 112 -20.473 3.753 -17.888 1.00 43.22 H new ATOM 0 HG3 GLN A 112 -19.913 2.474 -18.947 1.00 43.22 H new ATOM 0 HE21 GLN A 112 -21.348 2.184 -20.539 1.00 72.35 H new ATOM 0 HE22 GLN A 112 -23.100 2.086 -20.330 1.00 72.35 H new ATOM 1723 N MET A 113 -19.867 0.768 -14.095 1.00 4.21 N ATOM 1724 CA MET A 113 -20.109 -0.220 -13.049 1.00 74.14 C ATOM 1725 C MET A 113 -19.698 0.324 -11.684 1.00 5.34 C ATOM 1726 O MET A 113 -19.571 -0.430 -10.718 1.00 75.40 O ATOM 1727 CB MET A 113 -19.344 -1.510 -13.348 1.00 13.15 C ATOM 1728 CG MET A 113 -19.481 -1.977 -14.789 1.00 45.11 C ATOM 1729 SD MET A 113 -18.656 -3.552 -15.089 1.00 21.32 S ATOM 1730 CE MET A 113 -17.018 -3.204 -14.452 1.00 31.43 C ATOM 0 H MET A 113 -18.920 0.758 -14.474 1.00 4.21 H new ATOM 0 HA MET A 113 -21.177 -0.437 -13.029 1.00 74.14 H new ATOM 0 HB2 MET A 113 -18.288 -1.358 -13.123 1.00 13.15 H new ATOM 0 HB3 MET A 113 -19.701 -2.297 -12.684 1.00 13.15 H new ATOM 0 HG2 MET A 113 -20.538 -2.072 -15.037 1.00 45.11 H new ATOM 0 HG3 MET A 113 -19.064 -1.220 -15.453 1.00 45.11 H new ATOM 0 HE1 MET A 113 -16.312 -3.937 -14.842 1.00 31.43 H new ATOM 0 HE2 MET A 113 -16.712 -2.205 -14.762 1.00 31.43 H new ATOM 0 HE3 MET A 113 -17.032 -3.258 -13.363 1.00 31.43 H new ATOM 1740 N GLY A 114 -19.491 1.635 -11.610 1.00 15.42 N ATOM 1741 CA GLY A 114 -19.098 2.256 -10.359 1.00 5.32 C ATOM 1742 C GLY A 114 -17.898 1.577 -9.729 1.00 43.32 C ATOM 1743 O GLY A 114 -17.757 1.557 -8.505 1.00 35.21 O ATOM 0 H GLY A 114 -19.589 2.279 -12.395 1.00 15.42 H new ATOM 0 HA2 GLY A 114 -18.867 3.307 -10.535 1.00 5.32 H new ATOM 0 HA3 GLY A 114 -19.936 2.226 -9.663 1.00 5.32 H new