USER MOD reduce.3.24.130724 H: found=0, std=0, add=1019, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1021 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 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 127 TYR OH : rot 50:sc= 1.11 USER MOD Set 2.1: A 33 GLN : amide:sc= -3.41! C(o=-3.4!,f=-4!) USER MOD Set 2.2: A 37 GLN :FLIP amide:sc= -0.0105 F(o=-4.3,f=-3.4) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 162:sc= 0.514 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 16 LYS NZ :NH3+ -153:sc= -0.114 (180deg=-0.534) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 100:sc= -1.13 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 26:sc= 0.537 USER MOD Single : A 31 THR OG1 : rot -111:sc= 0.274 USER MOD Single : A 32 THR OG1 : rot -122:sc= -1 USER MOD Single : A 40 THR OG1 : rot -69:sc= -0.408 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -157:sc= -0.0607 (180deg=-0.484) USER MOD Single : A 55 HIS : no HE2:sc= -4.85! C(o=-4.9!,f=-9.7!) USER MOD Single : A 56 MET CE :methyl -175:sc= 0 (180deg=-0.03) USER MOD Single : A 60 ASN : amide:sc= 0.764 K(o=0.76,f=-0.11) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -7:sc= -0.0233 USER MOD Single : A 72 LYS NZ :NH3+ -126:sc= -1.46! (180deg=-3.3!) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -7.36! C(o=-11!,f=-7.4!) USER MOD Single : A 77 LYS NZ :NH3+ -174:sc= 0.631 (180deg=0.513) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -38:sc= 0.0207 USER MOD Single : A 87 HIS : no HD1:sc= -2.23! C(o=-2.2!,f=-2.8!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc=-0.000832 USER MOD Single : A 98 LYS NZ :NH3+ 157:sc= -0.008 (180deg=-0.619) USER MOD Single : A 99 ASN : amide:sc= 0.587 K(o=0.59,f=0) USER MOD Single : A 102 THR OG1 : rot 51:sc= -2.62! USER MOD Single : A 105 CYS SG : rot 180:sc= -1.41 USER MOD Single : A 106 MET CE :methyl 149:sc= -3.82! (180deg=-4.55!) USER MOD Single : A 119 THR OG1 : rot 82:sc= 1 USER MOD Single : A 121 GLN : amide:sc= -0.373 K(o=-0.37,f=-2.5!) USER MOD Single : A 124 GLN : amide:sc= -5.34! C(o=-5.3!,f=-5.8!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.812) USER MOD Single : A 133 GLN : amide:sc= -0.05 X(o=-0.05,f=-0.46) USER MOD Single : A 134 THR OG1 : rot -106:sc= -1 USER MOD Single : A 137 TYR OH : rot 180:sc= -0.283 USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 20.086 -0.221 5.543 1.00 0.00 N ATOM 67 CA ILE A 8 18.977 -1.118 5.841 1.00 0.00 C ATOM 68 C ILE A 8 18.436 -1.766 4.571 1.00 0.00 C ATOM 69 O ILE A 8 18.273 -1.119 3.536 1.00 0.00 O ATOM 70 CB ILE A 8 17.830 -0.378 6.555 1.00 0.00 C ATOM 71 CG1 ILE A 8 18.009 -0.457 8.072 1.00 0.00 C ATOM 72 CG2 ILE A 8 16.487 -0.961 6.143 1.00 0.00 C ATOM 73 CD1 ILE A 8 16.709 -0.370 8.840 1.00 0.00 C ATOM 0 HA ILE A 8 19.367 -1.892 6.503 1.00 0.00 H new ATOM 0 HB ILE A 8 17.855 0.671 6.260 1.00 0.00 H new ATOM 0 HG12 ILE A 8 18.507 -1.393 8.322 1.00 0.00 H new ATOM 0 HG13 ILE A 8 18.667 0.350 8.394 1.00 0.00 H new ATOM 0 HG21 ILE A 8 15.686 -0.428 6.656 1.00 0.00 H new ATOM 0 HG22 ILE A 8 16.360 -0.857 5.065 1.00 0.00 H new ATOM 0 HG23 ILE A 8 16.451 -2.017 6.412 1.00 0.00 H new ATOM 0 HD11 ILE A 8 16.913 -0.433 9.909 1.00 0.00 H new ATOM 0 HD12 ILE A 8 16.219 0.578 8.619 1.00 0.00 H new ATOM 0 HD13 ILE A 8 16.057 -1.193 8.546 1.00 0.00 H new ATOM 85 N PRO A 9 18.150 -3.073 4.649 1.00 0.00 N ATOM 86 CA PRO A 9 17.621 -3.837 3.515 1.00 0.00 C ATOM 87 C PRO A 9 16.123 -3.626 3.323 1.00 0.00 C ATOM 88 O PRO A 9 15.383 -3.435 4.288 1.00 0.00 O ATOM 89 CB PRO A 9 17.912 -5.290 3.898 1.00 0.00 C ATOM 90 CG PRO A 9 17.925 -5.293 5.388 1.00 0.00 C ATOM 91 CD PRO A 9 18.320 -3.908 5.850 1.00 0.00 C ATOM 0 HA PRO A 9 18.074 -3.532 2.572 1.00 0.00 H new ATOM 0 HB2 PRO A 9 17.149 -5.963 3.507 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.868 -5.623 3.493 1.00 0.00 H new ATOM 0 HG2 PRO A 9 16.943 -5.560 5.778 1.00 0.00 H new ATOM 0 HG3 PRO A 9 18.629 -6.036 5.762 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.688 -3.564 6.669 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.348 -3.885 6.210 1.00 0.00 H new ATOM 99 N THR A 10 15.680 -3.664 2.070 1.00 0.00 N ATOM 100 CA THR A 10 14.270 -3.477 1.751 1.00 0.00 C ATOM 101 C THR A 10 13.817 -4.450 0.669 1.00 0.00 C ATOM 102 O THR A 10 14.624 -5.198 0.116 1.00 0.00 O ATOM 103 CB THR A 10 13.987 -2.037 1.282 1.00 0.00 C ATOM 104 OG1 THR A 10 14.758 -1.742 0.112 1.00 0.00 O ATOM 105 CG2 THR A 10 14.316 -1.036 2.378 1.00 0.00 C ATOM 0 H THR A 10 16.278 -3.823 1.259 1.00 0.00 H new ATOM 0 HA THR A 10 13.710 -3.670 2.666 1.00 0.00 H new ATOM 0 HB THR A 10 12.926 -1.958 1.047 1.00 0.00 H new ATOM 0 HG1 THR A 10 14.571 -0.826 -0.181 1.00 0.00 H new ATOM 0 HG21 THR A 10 14.108 -0.027 2.023 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.706 -1.245 3.257 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.371 -1.118 2.641 1.00 0.00 H new ATOM 113 N CYS A 11 12.523 -4.436 0.372 1.00 0.00 N ATOM 114 CA CYS A 11 11.962 -5.319 -0.645 1.00 0.00 C ATOM 115 C CYS A 11 10.742 -4.683 -1.304 1.00 0.00 C ATOM 116 O CYS A 11 10.273 -3.627 -0.879 1.00 0.00 O ATOM 117 CB CYS A 11 11.580 -6.664 -0.028 1.00 0.00 C ATOM 118 SG CYS A 11 12.909 -7.890 -0.048 1.00 0.00 S ATOM 0 H CYS A 11 11.842 -3.823 0.821 1.00 0.00 H new ATOM 0 HA CYS A 11 12.722 -5.481 -1.409 1.00 0.00 H new ATOM 0 HB2 CYS A 11 11.265 -6.502 1.003 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.721 -7.067 -0.564 1.00 0.00 H new ATOM 0 HG CYS A 11 12.645 -8.831 0.810 1.00 0.00 H new ATOM 124 N LYS A 12 10.233 -5.332 -2.346 1.00 0.00 N ATOM 125 CA LYS A 12 9.068 -4.832 -3.065 1.00 0.00 C ATOM 126 C LYS A 12 7.797 -5.534 -2.598 1.00 0.00 C ATOM 127 O LYS A 12 7.811 -6.729 -2.299 1.00 0.00 O ATOM 128 CB LYS A 12 9.249 -5.030 -4.572 1.00 0.00 C ATOM 129 CG LYS A 12 8.096 -4.489 -5.400 1.00 0.00 C ATOM 130 CD LYS A 12 8.211 -4.907 -6.856 1.00 0.00 C ATOM 131 CE LYS A 12 9.062 -3.929 -7.651 1.00 0.00 C ATOM 132 NZ LYS A 12 8.289 -2.720 -8.050 1.00 0.00 N ATOM 0 H LYS A 12 10.610 -6.207 -2.711 1.00 0.00 H new ATOM 0 HA LYS A 12 8.972 -3.767 -2.854 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.171 -4.541 -4.886 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.366 -6.094 -4.779 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.152 -4.849 -4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.078 -3.401 -5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.648 -5.904 -6.916 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.216 -4.968 -7.298 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.924 -3.629 -7.055 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.448 -4.424 -8.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.903 -2.078 -8.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.481 -3.004 -8.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.942 -2.233 -7.199 1.00 0.00 H new ATOM 146 N ILE A 13 6.700 -4.786 -2.540 1.00 0.00 N ATOM 147 CA ILE A 13 5.421 -5.339 -2.112 1.00 0.00 C ATOM 148 C ILE A 13 4.368 -5.199 -3.206 1.00 0.00 C ATOM 149 O ILE A 13 3.609 -4.230 -3.232 1.00 0.00 O ATOM 150 CB ILE A 13 4.910 -4.651 -0.833 1.00 0.00 C ATOM 151 CG1 ILE A 13 5.970 -4.721 0.269 1.00 0.00 C ATOM 152 CG2 ILE A 13 3.612 -5.294 -0.368 1.00 0.00 C ATOM 153 CD1 ILE A 13 6.311 -6.133 0.690 1.00 0.00 C ATOM 0 H ILE A 13 6.671 -3.796 -2.784 1.00 0.00 H new ATOM 0 HA ILE A 13 5.588 -6.396 -1.904 1.00 0.00 H new ATOM 0 HB ILE A 13 4.714 -3.602 -1.056 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.876 -4.225 -0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.616 -4.167 1.138 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.263 -4.797 0.537 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.858 -5.197 -1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.784 -6.350 -0.159 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.068 -6.106 1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.415 -6.626 1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.695 -6.685 -0.167 1.00 0.00 H new ATOM 165 N THR A 14 4.327 -6.174 -4.109 1.00 0.00 N ATOM 166 CA THR A 14 3.368 -6.161 -5.205 1.00 0.00 C ATOM 167 C THR A 14 2.142 -7.005 -4.874 1.00 0.00 C ATOM 168 O THR A 14 2.239 -8.222 -4.714 1.00 0.00 O ATOM 169 CB THR A 14 3.998 -6.682 -6.511 1.00 0.00 C ATOM 170 OG1 THR A 14 5.402 -6.401 -6.523 1.00 0.00 O ATOM 171 CG2 THR A 14 3.337 -6.045 -7.723 1.00 0.00 C ATOM 0 H THR A 14 4.948 -6.983 -4.102 1.00 0.00 H new ATOM 0 HA THR A 14 3.065 -5.124 -5.346 1.00 0.00 H new ATOM 0 HB THR A 14 3.843 -7.760 -6.559 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.796 -6.737 -7.355 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.799 -6.429 -8.633 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.274 -6.286 -7.726 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.464 -4.963 -7.680 1.00 0.00 H new ATOM 179 N LEU A 15 0.990 -6.352 -4.773 1.00 0.00 N ATOM 180 CA LEU A 15 -0.256 -7.044 -4.461 1.00 0.00 C ATOM 181 C LEU A 15 -1.347 -6.680 -5.464 1.00 0.00 C ATOM 182 O LEU A 15 -1.654 -5.505 -5.664 1.00 0.00 O ATOM 183 CB LEU A 15 -0.715 -6.695 -3.044 1.00 0.00 C ATOM 184 CG LEU A 15 0.350 -6.793 -1.951 1.00 0.00 C ATOM 185 CD1 LEU A 15 0.059 -5.806 -0.831 1.00 0.00 C ATOM 186 CD2 LEU A 15 0.427 -8.212 -1.406 1.00 0.00 C ATOM 0 H LEU A 15 0.892 -5.345 -4.902 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.073 -8.117 -4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.108 -5.678 -3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.541 -7.354 -2.778 1.00 0.00 H new ATOM 0 HG LEU A 15 1.316 -6.540 -2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.828 -5.891 -0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.056 -4.792 -1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.915 -6.027 -0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.190 -8.263 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.538 -8.493 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.684 -8.898 -2.213 1.00 0.00 H new ATOM 198 N LYS A 16 -1.929 -7.696 -6.090 1.00 0.00 N ATOM 199 CA LYS A 16 -2.988 -7.486 -7.070 1.00 0.00 C ATOM 200 C LYS A 16 -4.323 -8.011 -6.550 1.00 0.00 C ATOM 201 O LYS A 16 -4.583 -9.213 -6.586 1.00 0.00 O ATOM 202 CB LYS A 16 -2.636 -8.176 -8.389 1.00 0.00 C ATOM 203 CG LYS A 16 -1.762 -7.334 -9.303 1.00 0.00 C ATOM 204 CD LYS A 16 -0.285 -7.565 -9.032 1.00 0.00 C ATOM 205 CE LYS A 16 0.548 -7.383 -10.292 1.00 0.00 C ATOM 206 NZ LYS A 16 0.232 -8.413 -11.320 1.00 0.00 N ATOM 0 H LYS A 16 -1.685 -8.674 -5.936 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.081 -6.414 -7.242 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.124 -9.114 -8.173 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.557 -8.429 -8.914 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.984 -7.575 -10.343 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.998 -6.279 -9.163 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.058 -6.871 -8.264 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.139 -8.572 -8.640 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.369 -6.390 -10.705 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.607 -7.436 -10.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.063 -8.563 -11.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.020 -9.306 -10.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.568 -8.090 -11.901 1.00 0.00 H new ATOM 220 N GLU A 17 -5.165 -7.101 -6.070 1.00 0.00 N ATOM 221 CA GLU A 17 -6.473 -7.474 -5.544 1.00 0.00 C ATOM 222 C GLU A 17 -7.590 -6.960 -6.448 1.00 0.00 C ATOM 223 O GLU A 17 -7.457 -5.916 -7.087 1.00 0.00 O ATOM 224 CB GLU A 17 -6.654 -6.923 -4.128 1.00 0.00 C ATOM 225 CG GLU A 17 -7.553 -7.780 -3.252 1.00 0.00 C ATOM 226 CD GLU A 17 -6.801 -8.907 -2.571 1.00 0.00 C ATOM 227 OE1 GLU A 17 -5.736 -9.306 -3.087 1.00 0.00 O ATOM 228 OE2 GLU A 17 -7.277 -9.389 -1.522 1.00 0.00 O ATOM 0 H GLU A 17 -4.965 -6.101 -6.035 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.526 -8.562 -5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.677 -6.834 -3.654 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.071 -5.918 -4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.022 -7.152 -2.495 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.355 -8.199 -3.860 1.00 0.00 H new ATOM 235 N THR A 18 -8.692 -7.702 -6.497 1.00 0.00 N ATOM 236 CA THR A 18 -9.831 -7.324 -7.324 1.00 0.00 C ATOM 237 C THR A 18 -11.015 -6.895 -6.464 1.00 0.00 C ATOM 238 O THR A 18 -11.421 -7.611 -5.548 1.00 0.00 O ATOM 239 CB THR A 18 -10.269 -8.481 -8.241 1.00 0.00 C ATOM 240 OG1 THR A 18 -9.125 -9.068 -8.869 1.00 0.00 O ATOM 241 CG2 THR A 18 -11.242 -7.992 -9.303 1.00 0.00 C ATOM 0 H THR A 18 -8.820 -8.568 -5.974 1.00 0.00 H new ATOM 0 HA THR A 18 -9.510 -6.485 -7.941 1.00 0.00 H new ATOM 0 HB THR A 18 -10.771 -9.230 -7.629 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.412 -9.804 -9.449 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.537 -8.827 -9.938 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.125 -7.573 -8.822 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.762 -7.225 -9.911 1.00 0.00 H new ATOM 249 N PHE A 19 -11.566 -5.724 -6.766 1.00 0.00 N ATOM 250 CA PHE A 19 -12.705 -5.200 -6.020 1.00 0.00 C ATOM 251 C PHE A 19 -13.982 -5.280 -6.850 1.00 0.00 C ATOM 252 O PHE A 19 -13.959 -5.088 -8.067 1.00 0.00 O ATOM 253 CB PHE A 19 -12.445 -3.751 -5.603 1.00 0.00 C ATOM 254 CG PHE A 19 -11.336 -3.606 -4.599 1.00 0.00 C ATOM 255 CD1 PHE A 19 -10.014 -3.564 -5.009 1.00 0.00 C ATOM 256 CD2 PHE A 19 -11.618 -3.511 -3.246 1.00 0.00 C ATOM 257 CE1 PHE A 19 -8.992 -3.432 -4.088 1.00 0.00 C ATOM 258 CE2 PHE A 19 -10.600 -3.378 -2.319 1.00 0.00 C ATOM 259 CZ PHE A 19 -9.286 -3.337 -2.741 1.00 0.00 C ATOM 0 H PHE A 19 -11.243 -5.120 -7.522 1.00 0.00 H new ATOM 0 HA PHE A 19 -12.834 -5.811 -5.127 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.201 -3.164 -6.489 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -13.360 -3.332 -5.185 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.779 -3.635 -6.061 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.644 -3.541 -2.911 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.965 -3.403 -4.421 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.833 -3.306 -1.267 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.489 -3.231 -2.020 1.00 0.00 H new ATOM 269 N LEU A 20 -15.096 -5.567 -6.185 1.00 0.00 N ATOM 270 CA LEU A 20 -16.385 -5.673 -6.860 1.00 0.00 C ATOM 271 C LEU A 20 -17.000 -4.295 -7.080 1.00 0.00 C ATOM 272 O LEU A 20 -18.216 -4.124 -6.989 1.00 0.00 O ATOM 273 CB LEU A 20 -17.339 -6.547 -6.044 1.00 0.00 C ATOM 274 CG LEU A 20 -17.086 -8.053 -6.102 1.00 0.00 C ATOM 275 CD1 LEU A 20 -17.352 -8.586 -7.501 1.00 0.00 C ATOM 276 CD2 LEU A 20 -15.662 -8.371 -5.670 1.00 0.00 C ATOM 0 H LEU A 20 -15.133 -5.730 -5.179 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.221 -6.136 -7.833 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.288 -6.230 -5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.356 -6.356 -6.386 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.772 -8.544 -5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.166 -9.660 -7.523 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.389 -8.391 -7.773 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.691 -8.089 -8.211 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -15.499 -9.448 -5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.959 -7.868 -6.335 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.506 -8.025 -4.648 1.00 0.00 H new ATOM 288 N THR A 21 -16.152 -3.314 -7.373 1.00 0.00 N ATOM 289 CA THR A 21 -16.612 -1.951 -7.607 1.00 0.00 C ATOM 290 C THR A 21 -15.827 -1.292 -8.735 1.00 0.00 C ATOM 291 O THR A 21 -14.839 -1.843 -9.221 1.00 0.00 O ATOM 292 CB THR A 21 -16.485 -1.089 -6.336 1.00 0.00 C ATOM 293 OG1 THR A 21 -17.140 0.169 -6.530 1.00 0.00 O ATOM 294 CG2 THR A 21 -15.023 -0.856 -5.985 1.00 0.00 C ATOM 0 H THR A 21 -15.143 -3.438 -7.454 1.00 0.00 H new ATOM 0 HA THR A 21 -17.663 -2.016 -7.889 1.00 0.00 H new ATOM 0 HB THR A 21 -16.960 -1.622 -5.513 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.025 0.145 -6.109 1.00 0.00 H new ATOM 0 HG21 THR A 21 -14.958 -0.245 -5.085 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.534 -1.814 -5.810 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.529 -0.341 -6.809 1.00 0.00 H new ATOM 302 N SER A 22 -16.272 -0.109 -9.147 1.00 0.00 N ATOM 303 CA SER A 22 -15.612 0.624 -10.221 1.00 0.00 C ATOM 304 C SER A 22 -14.461 1.464 -9.678 1.00 0.00 C ATOM 305 O SER A 22 -14.413 1.808 -8.497 1.00 0.00 O ATOM 306 CB SER A 22 -16.616 1.522 -10.946 1.00 0.00 C ATOM 307 OG SER A 22 -17.265 0.821 -11.993 1.00 0.00 O ATOM 0 H SER A 22 -17.087 0.362 -8.753 1.00 0.00 H new ATOM 0 HA SER A 22 -15.208 -0.101 -10.927 1.00 0.00 H new ATOM 0 HB2 SER A 22 -17.357 1.890 -10.237 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.102 2.394 -11.352 1.00 0.00 H new ATOM 0 HG SER A 22 -17.903 1.417 -12.439 1.00 0.00 H new ATOM 313 N PRO A 23 -13.509 1.804 -10.560 1.00 0.00 N ATOM 314 CA PRO A 23 -12.340 2.608 -10.193 1.00 0.00 C ATOM 315 C PRO A 23 -12.719 3.849 -9.392 1.00 0.00 C ATOM 316 O PRO A 23 -12.195 4.079 -8.303 1.00 0.00 O ATOM 317 CB PRO A 23 -11.744 3.006 -11.546 1.00 0.00 C ATOM 318 CG PRO A 23 -12.183 1.934 -12.483 1.00 0.00 C ATOM 319 CD PRO A 23 -13.501 1.429 -11.984 1.00 0.00 C ATOM 0 HA PRO A 23 -11.650 2.057 -9.554 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.105 3.984 -11.866 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.657 3.068 -11.497 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.278 2.323 -13.497 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.450 1.128 -12.518 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -14.333 1.885 -12.522 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -13.590 0.350 -12.113 1.00 0.00 H new ATOM 327 N GLU A 24 -13.632 4.645 -9.939 1.00 0.00 N ATOM 328 CA GLU A 24 -14.080 5.863 -9.274 1.00 0.00 C ATOM 329 C GLU A 24 -14.454 5.584 -7.821 1.00 0.00 C ATOM 330 O GLU A 24 -13.887 6.169 -6.900 1.00 0.00 O ATOM 331 CB GLU A 24 -15.276 6.465 -10.014 1.00 0.00 C ATOM 332 CG GLU A 24 -16.182 7.302 -9.127 1.00 0.00 C ATOM 333 CD GLU A 24 -17.020 8.290 -9.916 1.00 0.00 C ATOM 334 OE1 GLU A 24 -17.971 7.853 -10.596 1.00 0.00 O ATOM 335 OE2 GLU A 24 -16.723 9.502 -9.852 1.00 0.00 O ATOM 0 H GLU A 24 -14.076 4.469 -10.840 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.257 6.577 -9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.911 7.084 -10.834 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.860 5.659 -10.459 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.841 6.643 -8.562 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.575 7.844 -8.402 1.00 0.00 H new ATOM 342 N GLU A 25 -15.415 4.686 -7.626 1.00 0.00 N ATOM 343 CA GLU A 25 -15.867 4.330 -6.286 1.00 0.00 C ATOM 344 C GLU A 25 -14.680 4.037 -5.372 1.00 0.00 C ATOM 345 O GLU A 25 -14.629 4.504 -4.234 1.00 0.00 O ATOM 346 CB GLU A 25 -16.793 3.113 -6.343 1.00 0.00 C ATOM 347 CG GLU A 25 -17.825 3.082 -5.228 1.00 0.00 C ATOM 348 CD GLU A 25 -19.115 3.782 -5.606 1.00 0.00 C ATOM 349 OE1 GLU A 25 -19.598 3.567 -6.738 1.00 0.00 O ATOM 350 OE2 GLU A 25 -19.643 4.545 -4.770 1.00 0.00 O ATOM 0 H GLU A 25 -15.895 4.192 -8.378 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.417 5.178 -5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -17.308 3.103 -7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.191 2.206 -6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -18.041 2.046 -4.967 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -17.407 3.554 -4.339 1.00 0.00 H new ATOM 357 N LEU A 26 -13.728 3.261 -5.879 1.00 0.00 N ATOM 358 CA LEU A 26 -12.541 2.905 -5.109 1.00 0.00 C ATOM 359 C LEU A 26 -11.522 4.039 -5.124 1.00 0.00 C ATOM 360 O LEU A 26 -10.532 4.007 -4.392 1.00 0.00 O ATOM 361 CB LEU A 26 -11.910 1.629 -5.669 1.00 0.00 C ATOM 362 CG LEU A 26 -10.900 0.925 -4.761 1.00 0.00 C ATOM 363 CD1 LEU A 26 -11.599 0.316 -3.556 1.00 0.00 C ATOM 364 CD2 LEU A 26 -10.141 -0.142 -5.536 1.00 0.00 C ATOM 0 H LEU A 26 -13.755 2.867 -6.819 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.846 2.730 -4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.709 0.926 -5.904 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.415 1.875 -6.608 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.184 1.665 -4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.865 -0.180 -2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.097 1.102 -2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.338 -0.411 -3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.427 -0.633 -4.875 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.844 -0.880 -5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.608 0.321 -6.366 1.00 0.00 H new ATOM 376 N TYR A 27 -11.771 5.041 -5.960 1.00 0.00 N ATOM 377 CA TYR A 27 -10.875 6.185 -6.070 1.00 0.00 C ATOM 378 C TYR A 27 -10.947 7.056 -4.820 1.00 0.00 C ATOM 379 O TYR A 27 -9.951 7.647 -4.403 1.00 0.00 O ATOM 380 CB TYR A 27 -11.225 7.016 -7.305 1.00 0.00 C ATOM 381 CG TYR A 27 -10.192 8.069 -7.640 1.00 0.00 C ATOM 382 CD1 TYR A 27 -8.834 7.777 -7.591 1.00 0.00 C ATOM 383 CD2 TYR A 27 -10.574 9.354 -8.003 1.00 0.00 C ATOM 384 CE1 TYR A 27 -7.887 8.736 -7.895 1.00 0.00 C ATOM 385 CE2 TYR A 27 -9.633 10.319 -8.310 1.00 0.00 C ATOM 386 CZ TYR A 27 -8.291 10.005 -8.255 1.00 0.00 C ATOM 387 OH TYR A 27 -7.351 10.963 -8.558 1.00 0.00 O ATOM 0 H TYR A 27 -12.586 5.084 -6.571 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.857 5.809 -6.170 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.342 6.350 -8.160 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.188 7.502 -7.145 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.514 6.784 -7.311 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.624 9.604 -8.046 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.836 8.493 -7.851 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.947 11.313 -8.591 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.531 10.529 -8.873 1.00 0.00 H new ATOM 397 N ARG A 28 -12.134 7.131 -4.226 1.00 0.00 N ATOM 398 CA ARG A 28 -12.339 7.929 -3.024 1.00 0.00 C ATOM 399 C ARG A 28 -11.946 7.144 -1.776 1.00 0.00 C ATOM 400 O ARG A 28 -11.267 7.664 -0.890 1.00 0.00 O ATOM 401 CB ARG A 28 -13.799 8.372 -2.922 1.00 0.00 C ATOM 402 CG ARG A 28 -14.489 8.512 -4.269 1.00 0.00 C ATOM 403 CD ARG A 28 -15.402 7.330 -4.554 1.00 0.00 C ATOM 404 NE ARG A 28 -16.486 7.684 -5.466 1.00 0.00 N ATOM 405 CZ ARG A 28 -17.550 8.393 -5.104 1.00 0.00 C ATOM 406 NH1 ARG A 28 -17.670 8.822 -3.855 1.00 0.00 N ATOM 407 NH2 ARG A 28 -18.495 8.674 -5.991 1.00 0.00 N ATOM 0 H ARG A 28 -12.969 6.648 -4.559 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.703 8.812 -3.092 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.347 7.651 -2.316 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.844 9.327 -2.399 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.070 9.434 -4.287 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.739 8.592 -5.056 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -14.818 6.516 -4.984 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.821 6.962 -3.618 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.423 7.370 -6.434 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -16.945 8.608 -3.170 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -18.487 9.366 -3.579 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -18.406 8.346 -6.953 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -19.311 9.218 -5.712 1.00 0.00 H new ATOM 421 N VAL A 29 -12.378 5.889 -1.713 1.00 0.00 N ATOM 422 CA VAL A 29 -12.071 5.031 -0.574 1.00 0.00 C ATOM 423 C VAL A 29 -10.606 5.157 -0.170 1.00 0.00 C ATOM 424 O VAL A 29 -10.249 4.935 0.987 1.00 0.00 O ATOM 425 CB VAL A 29 -12.381 3.554 -0.884 1.00 0.00 C ATOM 426 CG1 VAL A 29 -11.947 2.664 0.270 1.00 0.00 C ATOM 427 CG2 VAL A 29 -13.862 3.373 -1.181 1.00 0.00 C ATOM 0 H VAL A 29 -12.942 5.443 -2.437 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.702 5.362 0.251 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.817 3.260 -1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.174 1.625 0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.875 2.774 0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.481 2.955 1.175 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.064 2.324 -1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -14.447 3.684 -0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.137 3.981 -2.043 1.00 0.00 H new ATOM 437 N PHE A 30 -9.762 5.516 -1.131 1.00 0.00 N ATOM 438 CA PHE A 30 -8.335 5.672 -0.876 1.00 0.00 C ATOM 439 C PHE A 30 -7.955 7.148 -0.790 1.00 0.00 C ATOM 440 O PHE A 30 -6.946 7.507 -0.184 1.00 0.00 O ATOM 441 CB PHE A 30 -7.520 4.988 -1.976 1.00 0.00 C ATOM 442 CG PHE A 30 -7.380 3.505 -1.784 1.00 0.00 C ATOM 443 CD1 PHE A 30 -8.424 2.651 -2.099 1.00 0.00 C ATOM 444 CD2 PHE A 30 -6.204 2.966 -1.288 1.00 0.00 C ATOM 445 CE1 PHE A 30 -8.298 1.285 -1.924 1.00 0.00 C ATOM 446 CE2 PHE A 30 -6.072 1.602 -1.111 1.00 0.00 C ATOM 447 CZ PHE A 30 -7.121 0.760 -1.428 1.00 0.00 C ATOM 0 H PHE A 30 -10.041 5.704 -2.094 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.110 5.200 0.080 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.993 5.179 -2.939 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.527 5.437 -2.014 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.347 3.057 -2.486 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.381 3.619 -1.037 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.119 0.630 -2.175 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.149 1.194 -0.725 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.021 -0.306 -1.288 1.00 0.00 H new ATOM 457 N THR A 31 -8.773 7.999 -1.401 1.00 0.00 N ATOM 458 CA THR A 31 -8.524 9.435 -1.396 1.00 0.00 C ATOM 459 C THR A 31 -9.583 10.174 -0.586 1.00 0.00 C ATOM 460 O THR A 31 -9.917 11.322 -0.882 1.00 0.00 O ATOM 461 CB THR A 31 -8.497 10.006 -2.827 1.00 0.00 C ATOM 462 OG1 THR A 31 -9.803 9.933 -3.408 1.00 0.00 O ATOM 463 CG2 THR A 31 -7.506 9.244 -3.694 1.00 0.00 C ATOM 0 H THR A 31 -9.614 7.718 -1.906 1.00 0.00 H new ATOM 0 HA THR A 31 -7.548 9.585 -0.935 1.00 0.00 H new ATOM 0 HB THR A 31 -8.182 11.048 -2.774 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.803 9.272 -4.131 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.504 9.664 -4.700 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.508 9.327 -3.264 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.795 8.194 -3.740 1.00 0.00 H new ATOM 471 N THR A 32 -10.108 9.510 0.438 1.00 0.00 N ATOM 472 CA THR A 32 -11.130 10.103 1.291 1.00 0.00 C ATOM 473 C THR A 32 -10.950 9.678 2.744 1.00 0.00 C ATOM 474 O THR A 32 -11.155 8.515 3.088 1.00 0.00 O ATOM 475 CB THR A 32 -12.546 9.713 0.826 1.00 0.00 C ATOM 476 OG1 THR A 32 -12.682 9.947 -0.580 1.00 0.00 O ATOM 477 CG2 THR A 32 -13.602 10.507 1.581 1.00 0.00 C ATOM 0 H THR A 32 -9.842 8.560 0.697 1.00 0.00 H new ATOM 0 HA THR A 32 -11.015 11.184 1.215 1.00 0.00 H new ATOM 0 HB THR A 32 -12.693 8.653 1.034 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.424 10.567 -0.738 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.593 10.214 1.235 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.515 10.304 2.649 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.455 11.572 1.401 1.00 0.00 H new ATOM 485 N GLN A 33 -10.566 10.628 3.590 1.00 0.00 N ATOM 486 CA GLN A 33 -10.358 10.350 5.006 1.00 0.00 C ATOM 487 C GLN A 33 -11.544 9.591 5.592 1.00 0.00 C ATOM 488 O GLN A 33 -11.384 8.503 6.145 1.00 0.00 O ATOM 489 CB GLN A 33 -10.140 11.653 5.777 1.00 0.00 C ATOM 490 CG GLN A 33 -10.012 11.457 7.279 1.00 0.00 C ATOM 491 CD GLN A 33 -9.591 12.724 7.998 1.00 0.00 C ATOM 492 OE1 GLN A 33 -9.210 13.711 7.370 1.00 0.00 O ATOM 493 NE2 GLN A 33 -9.659 12.702 9.324 1.00 0.00 N ATOM 0 H GLN A 33 -10.393 11.596 3.320 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.469 9.727 5.101 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.239 12.139 5.404 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.972 12.328 5.577 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.967 11.116 7.680 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.284 10.671 7.478 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.981 11.862 9.804 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.389 13.525 9.862 1.00 0.00 H new ATOM 502 N GLU A 34 -12.733 10.172 5.466 1.00 0.00 N ATOM 503 CA GLU A 34 -13.945 9.550 5.984 1.00 0.00 C ATOM 504 C GLU A 34 -14.021 8.081 5.576 1.00 0.00 C ATOM 505 O GLU A 34 -14.028 7.188 6.424 1.00 0.00 O ATOM 506 CB GLU A 34 -15.183 10.295 5.481 1.00 0.00 C ATOM 507 CG GLU A 34 -16.493 9.621 5.853 1.00 0.00 C ATOM 508 CD GLU A 34 -17.691 10.265 5.183 1.00 0.00 C ATOM 509 OE1 GLU A 34 -17.812 11.506 5.248 1.00 0.00 O ATOM 510 OE2 GLU A 34 -18.508 9.526 4.594 1.00 0.00 O ATOM 0 H GLU A 34 -12.882 11.072 5.010 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.914 9.606 7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.177 11.307 5.886 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.126 10.386 4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.448 8.568 5.574 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.622 9.659 6.935 1.00 0.00 H new ATOM 517 N LEU A 35 -14.078 7.839 4.271 1.00 0.00 N ATOM 518 CA LEU A 35 -14.154 6.479 3.748 1.00 0.00 C ATOM 519 C LEU A 35 -13.095 5.589 4.390 1.00 0.00 C ATOM 520 O LEU A 35 -13.307 4.391 4.578 1.00 0.00 O ATOM 521 CB LEU A 35 -13.977 6.486 2.228 1.00 0.00 C ATOM 522 CG LEU A 35 -14.988 7.318 1.438 1.00 0.00 C ATOM 523 CD1 LEU A 35 -14.793 7.117 -0.056 1.00 0.00 C ATOM 524 CD2 LEU A 35 -16.409 6.958 1.846 1.00 0.00 C ATOM 0 H LEU A 35 -14.073 8.566 3.556 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.137 6.076 3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.977 6.855 2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -14.026 5.457 1.872 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.821 8.371 1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.521 7.717 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.786 7.425 -0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.932 6.064 -0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.115 7.560 1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.588 5.901 1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.543 7.155 2.910 1.00 0.00 H new ATOM 536 N VAL A 36 -11.955 6.183 4.728 1.00 0.00 N ATOM 537 CA VAL A 36 -10.864 5.445 5.353 1.00 0.00 C ATOM 538 C VAL A 36 -11.201 5.083 6.796 1.00 0.00 C ATOM 539 O VAL A 36 -10.984 3.952 7.228 1.00 0.00 O ATOM 540 CB VAL A 36 -9.554 6.254 5.331 1.00 0.00 C ATOM 541 CG1 VAL A 36 -8.407 5.429 5.894 1.00 0.00 C ATOM 542 CG2 VAL A 36 -9.241 6.722 3.918 1.00 0.00 C ATOM 0 H VAL A 36 -11.763 7.174 4.579 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.728 4.531 4.774 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.680 7.134 5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.490 6.017 5.870 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.632 5.148 6.923 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.277 4.529 5.293 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.312 7.292 3.921 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.134 5.857 3.264 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -10.053 7.353 3.555 1.00 0.00 H new ATOM 552 N GLN A 37 -11.733 6.052 7.534 1.00 0.00 N ATOM 553 CA GLN A 37 -12.099 5.835 8.929 1.00 0.00 C ATOM 554 C GLN A 37 -13.257 4.848 9.040 1.00 0.00 C ATOM 555 O GLN A 37 -13.681 4.496 10.140 1.00 0.00 O ATOM 556 CB GLN A 37 -12.479 7.161 9.590 1.00 0.00 C ATOM 557 CG GLN A 37 -11.310 7.860 10.266 1.00 0.00 C ATOM 558 CD GLN A 37 -11.676 9.234 10.791 1.00 0.00 C ATOM 559 OE1 GLN A 37 -11.866 10.184 9.883 1.00 0.00 O flip ATOM 560 NE2 GLN A 37 -11.787 9.440 12.000 1.00 0.00 N flip ATOM 0 H GLN A 37 -11.920 6.994 7.190 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.236 5.414 9.444 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.902 7.825 8.836 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.259 6.979 10.329 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.951 7.244 11.090 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.488 7.954 9.556 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.632 8.681 12.663 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.034 10.370 12.338 1.00 0.00 H new ATOM 569 N ALA A 38 -13.763 4.406 7.894 1.00 0.00 N ATOM 570 CA ALA A 38 -14.870 3.458 7.863 1.00 0.00 C ATOM 571 C ALA A 38 -14.362 2.021 7.849 1.00 0.00 C ATOM 572 O ALA A 38 -14.797 1.190 8.647 1.00 0.00 O ATOM 573 CB ALA A 38 -15.755 3.719 6.652 1.00 0.00 C ATOM 0 H ALA A 38 -13.424 4.689 6.975 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.461 3.598 8.768 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.577 3.004 6.642 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.155 4.731 6.705 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.167 3.609 5.741 1.00 0.00 H new ATOM 579 N PHE A 39 -13.440 1.733 6.936 1.00 0.00 N ATOM 580 CA PHE A 39 -12.874 0.394 6.817 1.00 0.00 C ATOM 581 C PHE A 39 -11.664 0.232 7.733 1.00 0.00 C ATOM 582 O PHE A 39 -10.999 -0.805 7.726 1.00 0.00 O ATOM 583 CB PHE A 39 -12.471 0.115 5.368 1.00 0.00 C ATOM 584 CG PHE A 39 -11.167 0.747 4.975 1.00 0.00 C ATOM 585 CD1 PHE A 39 -9.963 0.149 5.312 1.00 0.00 C ATOM 586 CD2 PHE A 39 -11.144 1.939 4.270 1.00 0.00 C ATOM 587 CE1 PHE A 39 -8.761 0.730 4.952 1.00 0.00 C ATOM 588 CE2 PHE A 39 -9.945 2.524 3.907 1.00 0.00 C ATOM 589 CZ PHE A 39 -8.752 1.918 4.248 1.00 0.00 C ATOM 0 H PHE A 39 -13.069 2.409 6.268 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.636 -0.324 7.120 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.402 -0.963 5.220 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.256 0.479 4.705 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.964 -0.781 5.862 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.074 2.417 4.001 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.829 0.255 5.221 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.941 3.454 3.357 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.814 2.372 3.965 1.00 0.00 H new ATOM 599 N THR A 40 -11.384 1.264 8.522 1.00 0.00 N ATOM 600 CA THR A 40 -10.255 1.238 9.443 1.00 0.00 C ATOM 601 C THR A 40 -10.723 1.339 10.890 1.00 0.00 C ATOM 602 O THR A 40 -9.982 1.009 11.817 1.00 0.00 O ATOM 603 CB THR A 40 -9.268 2.385 9.153 1.00 0.00 C ATOM 604 OG1 THR A 40 -9.907 3.648 9.369 1.00 0.00 O ATOM 605 CG2 THR A 40 -8.754 2.308 7.724 1.00 0.00 C ATOM 0 H THR A 40 -11.924 2.129 8.542 1.00 0.00 H new ATOM 0 HA THR A 40 -9.747 0.285 9.294 1.00 0.00 H new ATOM 0 HB THR A 40 -8.421 2.287 9.832 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.591 3.791 8.682 1.00 0.00 H new ATOM 0 HG21 THR A 40 -8.059 3.128 7.543 1.00 0.00 H new ATOM 0 HG22 THR A 40 -8.242 1.358 7.572 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.592 2.383 7.031 1.00 0.00 H new ATOM 613 N HIS A 41 -11.957 1.797 11.078 1.00 0.00 N ATOM 614 CA HIS A 41 -12.524 1.940 12.414 1.00 0.00 C ATOM 615 C HIS A 41 -11.488 2.491 13.388 1.00 0.00 C ATOM 616 O HIS A 41 -11.333 1.983 14.498 1.00 0.00 O ATOM 617 CB HIS A 41 -13.047 0.593 12.916 1.00 0.00 C ATOM 618 CG HIS A 41 -14.052 -0.037 12.002 1.00 0.00 C ATOM 619 ND1 HIS A 41 -15.389 0.301 12.006 1.00 0.00 N ATOM 620 CD2 HIS A 41 -13.909 -0.989 11.050 1.00 0.00 C ATOM 621 CE1 HIS A 41 -16.025 -0.417 11.098 1.00 0.00 C ATOM 622 NE2 HIS A 41 -15.150 -1.207 10.503 1.00 0.00 N ATOM 0 H HIS A 41 -12.583 2.075 10.322 1.00 0.00 H new ATOM 0 HA HIS A 41 -13.353 2.645 12.356 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -12.206 -0.089 13.044 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -13.498 0.731 13.899 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.990 -1.485 10.772 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -17.081 -0.367 10.879 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -15.361 -1.871 9.758 1.00 0.00 H new ATOM 631 N ALA A 42 -10.780 3.534 12.964 1.00 0.00 N ATOM 632 CA ALA A 42 -9.760 4.155 13.800 1.00 0.00 C ATOM 633 C ALA A 42 -9.441 5.566 13.319 1.00 0.00 C ATOM 634 O ALA A 42 -9.535 5.880 12.132 1.00 0.00 O ATOM 635 CB ALA A 42 -8.499 3.303 13.814 1.00 0.00 C ATOM 0 H ALA A 42 -10.894 3.966 12.047 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.150 4.225 14.815 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.746 3.778 14.442 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.732 2.315 14.211 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.115 3.204 12.799 1.00 0.00 H new ATOM 641 N PRO A 43 -9.056 6.440 14.261 1.00 0.00 N ATOM 642 CA PRO A 43 -8.716 7.833 13.956 1.00 0.00 C ATOM 643 C PRO A 43 -7.764 7.952 12.771 1.00 0.00 C ATOM 644 O PRO A 43 -6.546 7.894 12.933 1.00 0.00 O ATOM 645 CB PRO A 43 -8.036 8.321 15.238 1.00 0.00 C ATOM 646 CG PRO A 43 -8.599 7.460 16.316 1.00 0.00 C ATOM 647 CD PRO A 43 -8.922 6.136 15.695 1.00 0.00 C ATOM 0 HA PRO A 43 -9.594 8.414 13.674 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.953 8.219 15.175 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.247 9.374 15.422 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.882 7.340 17.128 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.493 7.913 16.744 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -8.133 5.407 15.877 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.842 5.718 16.102 1.00 0.00 H new ATOM 655 N ALA A 44 -8.328 8.119 11.579 1.00 0.00 N ATOM 656 CA ALA A 44 -7.529 8.248 10.367 1.00 0.00 C ATOM 657 C ALA A 44 -7.650 9.649 9.776 1.00 0.00 C ATOM 658 O ALA A 44 -8.742 10.214 9.709 1.00 0.00 O ATOM 659 CB ALA A 44 -7.950 7.204 9.343 1.00 0.00 C ATOM 0 H ALA A 44 -9.335 8.168 11.427 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.485 8.082 10.631 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.345 7.312 8.443 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.806 6.207 9.759 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -9.001 7.344 9.092 1.00 0.00 H new ATOM 665 N THR A 45 -6.521 10.206 9.350 1.00 0.00 N ATOM 666 CA THR A 45 -6.500 11.542 8.767 1.00 0.00 C ATOM 667 C THR A 45 -5.940 11.514 7.349 1.00 0.00 C ATOM 668 O THR A 45 -4.725 11.465 7.152 1.00 0.00 O ATOM 669 CB THR A 45 -5.663 12.513 9.619 1.00 0.00 C ATOM 670 OG1 THR A 45 -6.347 12.807 10.842 1.00 0.00 O ATOM 671 CG2 THR A 45 -5.393 13.804 8.861 1.00 0.00 C ATOM 0 H THR A 45 -5.609 9.752 9.398 1.00 0.00 H new ATOM 0 HA THR A 45 -7.532 11.892 8.740 1.00 0.00 H new ATOM 0 HB THR A 45 -4.709 12.035 9.842 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.807 13.424 11.379 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.800 14.474 9.483 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.846 13.581 7.945 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.339 14.284 8.611 1.00 0.00 H new ATOM 679 N LEU A 46 -6.831 11.547 6.365 1.00 0.00 N ATOM 680 CA LEU A 46 -6.426 11.527 4.964 1.00 0.00 C ATOM 681 C LEU A 46 -6.721 12.864 4.292 1.00 0.00 C ATOM 682 O LEU A 46 -7.773 13.462 4.516 1.00 0.00 O ATOM 683 CB LEU A 46 -7.144 10.399 4.221 1.00 0.00 C ATOM 684 CG LEU A 46 -6.453 9.880 2.959 1.00 0.00 C ATOM 685 CD1 LEU A 46 -6.681 8.385 2.803 1.00 0.00 C ATOM 686 CD2 LEU A 46 -6.952 10.629 1.732 1.00 0.00 C ATOM 0 H LEU A 46 -7.840 11.588 6.511 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.351 11.352 4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.275 9.564 4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.140 10.747 3.949 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.381 10.055 3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.182 8.033 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.274 7.863 3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.750 8.186 2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.450 10.247 0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.028 10.486 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.736 11.692 1.842 1.00 0.00 H new ATOM 698 N GLU A 47 -5.787 13.325 3.467 1.00 0.00 N ATOM 699 CA GLU A 47 -5.949 14.591 2.762 1.00 0.00 C ATOM 700 C GLU A 47 -5.666 14.423 1.271 1.00 0.00 C ATOM 701 O GLU A 47 -4.513 14.432 0.843 1.00 0.00 O ATOM 702 CB GLU A 47 -5.018 15.652 3.352 1.00 0.00 C ATOM 703 CG GLU A 47 -5.342 16.012 4.792 1.00 0.00 C ATOM 704 CD GLU A 47 -6.334 17.154 4.900 1.00 0.00 C ATOM 705 OE1 GLU A 47 -5.923 18.316 4.698 1.00 0.00 O ATOM 706 OE2 GLU A 47 -7.519 16.886 5.185 1.00 0.00 O ATOM 0 H GLU A 47 -4.911 12.841 3.270 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.982 14.916 2.885 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.991 15.292 3.299 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.073 16.552 2.740 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.746 15.136 5.299 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.422 16.285 5.310 1.00 0.00 H new ATOM 713 N ALA A 48 -6.728 14.270 0.487 1.00 0.00 N ATOM 714 CA ALA A 48 -6.595 14.102 -0.955 1.00 0.00 C ATOM 715 C ALA A 48 -6.003 15.350 -1.601 1.00 0.00 C ATOM 716 O ALA A 48 -6.723 16.297 -1.918 1.00 0.00 O ATOM 717 CB ALA A 48 -7.946 13.775 -1.574 1.00 0.00 C ATOM 0 H ALA A 48 -7.690 14.259 0.826 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.913 13.272 -1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.833 13.652 -2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.330 12.851 -1.142 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.644 14.587 -1.373 1.00 0.00 H new ATOM 723 N ASP A 49 -4.689 15.344 -1.791 1.00 0.00 N ATOM 724 CA ASP A 49 -4.000 16.476 -2.400 1.00 0.00 C ATOM 725 C ASP A 49 -2.523 16.161 -2.618 1.00 0.00 C ATOM 726 O ASP A 49 -1.910 15.440 -1.830 1.00 0.00 O ATOM 727 CB ASP A 49 -4.144 17.720 -1.522 1.00 0.00 C ATOM 728 CG ASP A 49 -4.137 19.003 -2.330 1.00 0.00 C ATOM 729 OD1 ASP A 49 -4.983 19.136 -3.240 1.00 0.00 O ATOM 730 OD2 ASP A 49 -3.287 19.874 -2.053 1.00 0.00 O ATOM 0 H ASP A 49 -4.079 14.568 -1.532 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.459 16.669 -3.370 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.073 17.656 -0.956 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.330 17.746 -0.797 1.00 0.00 H new ATOM 735 N ARG A 50 -1.959 16.703 -3.692 1.00 0.00 N ATOM 736 CA ARG A 50 -0.556 16.477 -4.015 1.00 0.00 C ATOM 737 C ARG A 50 0.346 16.950 -2.878 1.00 0.00 C ATOM 738 O ARG A 50 0.584 18.146 -2.716 1.00 0.00 O ATOM 739 CB ARG A 50 -0.185 17.203 -5.309 1.00 0.00 C ATOM 740 CG ARG A 50 -0.398 16.366 -6.559 1.00 0.00 C ATOM 741 CD ARG A 50 0.602 16.724 -7.647 1.00 0.00 C ATOM 742 NE ARG A 50 1.867 16.013 -7.484 1.00 0.00 N ATOM 743 CZ ARG A 50 2.935 16.538 -6.893 1.00 0.00 C ATOM 744 NH1 ARG A 50 2.890 17.773 -6.411 1.00 0.00 N ATOM 745 NH2 ARG A 50 4.050 15.828 -6.782 1.00 0.00 N ATOM 0 H ARG A 50 -2.453 17.302 -4.354 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.409 15.406 -4.152 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.778 18.115 -5.387 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.861 17.506 -5.259 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.304 15.309 -6.311 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.411 16.517 -6.931 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.177 16.488 -8.622 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.786 17.798 -7.631 1.00 0.00 H new ATOM 0 HE ARG A 50 1.934 15.061 -7.844 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.034 18.322 -6.494 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.711 18.174 -5.958 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.088 14.878 -7.151 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.869 16.232 -6.328 1.00 0.00 H new ATOM 759 N GLY A 51 0.846 16.000 -2.092 1.00 0.00 N ATOM 760 CA GLY A 51 1.715 16.339 -0.980 1.00 0.00 C ATOM 761 C GLY A 51 1.029 16.178 0.362 1.00 0.00 C ATOM 762 O GLY A 51 1.663 16.297 1.409 1.00 0.00 O ATOM 0 H GLY A 51 0.665 15.003 -2.206 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.602 15.706 -1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.055 17.369 -1.089 1.00 0.00 H new ATOM 766 N GLY A 52 -0.273 15.909 0.331 1.00 0.00 N ATOM 767 CA GLY A 52 -1.025 15.739 1.561 1.00 0.00 C ATOM 768 C GLY A 52 -0.533 14.564 2.382 1.00 0.00 C ATOM 769 O GLY A 52 0.369 13.838 1.964 1.00 0.00 O ATOM 0 H GLY A 52 -0.820 15.806 -0.524 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.954 16.650 2.156 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.079 15.596 1.322 1.00 0.00 H new ATOM 773 N LYS A 53 -1.126 14.376 3.556 1.00 0.00 N ATOM 774 CA LYS A 53 -0.744 13.281 4.440 1.00 0.00 C ATOM 775 C LYS A 53 -1.930 12.360 4.710 1.00 0.00 C ATOM 776 O LYS A 53 -3.074 12.810 4.785 1.00 0.00 O ATOM 777 CB LYS A 53 -0.202 13.831 5.762 1.00 0.00 C ATOM 778 CG LYS A 53 1.299 14.065 5.752 1.00 0.00 C ATOM 779 CD LYS A 53 1.708 15.013 4.637 1.00 0.00 C ATOM 780 CE LYS A 53 3.126 15.527 4.834 1.00 0.00 C ATOM 781 NZ LYS A 53 3.248 16.360 6.063 1.00 0.00 N ATOM 0 H LYS A 53 -1.874 14.968 3.918 1.00 0.00 H new ATOM 0 HA LYS A 53 0.037 12.704 3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.706 14.770 5.990 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.448 13.135 6.564 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.611 14.476 6.712 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.816 13.113 5.629 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.636 14.501 3.678 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.016 15.855 4.602 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.813 14.683 4.898 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.423 16.115 3.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.068 16.993 5.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.385 16.927 6.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.377 15.742 6.890 1.00 0.00 H new ATOM 795 N PHE A 54 -1.650 11.069 4.854 1.00 0.00 N ATOM 796 CA PHE A 54 -2.694 10.085 5.116 1.00 0.00 C ATOM 797 C PHE A 54 -2.323 9.202 6.304 1.00 0.00 C ATOM 798 O PHE A 54 -1.324 8.484 6.270 1.00 0.00 O ATOM 799 CB PHE A 54 -2.930 9.219 3.876 1.00 0.00 C ATOM 800 CG PHE A 54 -1.866 8.182 3.658 1.00 0.00 C ATOM 801 CD1 PHE A 54 -1.960 6.937 4.261 1.00 0.00 C ATOM 802 CD2 PHE A 54 -0.773 8.451 2.852 1.00 0.00 C ATOM 803 CE1 PHE A 54 -0.983 5.980 4.062 1.00 0.00 C ATOM 804 CE2 PHE A 54 0.207 7.497 2.649 1.00 0.00 C ATOM 805 CZ PHE A 54 0.102 6.261 3.255 1.00 0.00 C ATOM 0 H PHE A 54 -0.709 10.680 4.794 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.612 10.621 5.357 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.896 8.723 3.968 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.984 9.863 2.998 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.806 6.713 4.893 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.685 9.417 2.377 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.068 5.014 4.537 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.054 7.719 2.017 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.867 5.515 3.098 1.00 0.00 H new ATOM 815 N HIS A 55 -3.136 9.261 7.354 1.00 0.00 N ATOM 816 CA HIS A 55 -2.895 8.467 8.553 1.00 0.00 C ATOM 817 C HIS A 55 -4.093 7.574 8.864 1.00 0.00 C ATOM 818 O HIS A 55 -5.236 8.028 8.852 1.00 0.00 O ATOM 819 CB HIS A 55 -2.601 9.380 9.744 1.00 0.00 C ATOM 820 CG HIS A 55 -1.617 8.801 10.714 1.00 0.00 C ATOM 821 ND1 HIS A 55 -1.089 7.534 10.585 1.00 0.00 N ATOM 822 CD2 HIS A 55 -1.064 9.325 11.832 1.00 0.00 C ATOM 823 CE1 HIS A 55 -0.255 7.303 11.583 1.00 0.00 C ATOM 824 NE2 HIS A 55 -0.221 8.375 12.354 1.00 0.00 N ATOM 0 H HIS A 55 -3.967 9.850 7.399 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.029 7.831 8.370 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.219 10.332 9.376 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.533 9.592 10.268 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -1.308 6.877 9.836 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.251 10.308 12.238 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.304 6.393 11.742 1.00 0.00 H new ATOM 833 N MET A 56 -3.821 6.303 9.141 1.00 0.00 N ATOM 834 CA MET A 56 -4.877 5.348 9.455 1.00 0.00 C ATOM 835 C MET A 56 -4.380 4.291 10.437 1.00 0.00 C ATOM 836 O MET A 56 -3.176 4.147 10.651 1.00 0.00 O ATOM 837 CB MET A 56 -5.383 4.676 8.177 1.00 0.00 C ATOM 838 CG MET A 56 -4.456 4.858 6.986 1.00 0.00 C ATOM 839 SD MET A 56 -5.231 4.396 5.425 1.00 0.00 S ATOM 840 CE MET A 56 -5.348 2.619 5.618 1.00 0.00 C ATOM 0 H MET A 56 -2.879 5.911 9.154 1.00 0.00 H new ATOM 0 HA MET A 56 -5.699 5.893 9.920 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.515 3.610 8.365 1.00 0.00 H new ATOM 0 HB3 MET A 56 -6.364 5.080 7.928 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.137 5.899 6.935 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.559 4.257 7.134 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.726 2.177 4.696 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.361 2.211 5.838 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.028 2.386 6.437 1.00 0.00 H new ATOM 850 N VAL A 57 -5.314 3.555 11.030 1.00 0.00 N ATOM 851 CA VAL A 57 -4.970 2.511 11.989 1.00 0.00 C ATOM 852 C VAL A 57 -4.543 3.110 13.324 1.00 0.00 C ATOM 853 O VAL A 57 -3.457 2.820 13.827 1.00 0.00 O ATOM 854 CB VAL A 57 -3.839 1.612 11.457 1.00 0.00 C ATOM 855 CG1 VAL A 57 -3.721 0.349 12.297 1.00 0.00 C ATOM 856 CG2 VAL A 57 -4.075 1.268 9.994 1.00 0.00 C ATOM 0 H VAL A 57 -6.315 3.662 10.864 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.866 1.907 12.135 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.899 2.159 11.531 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.917 -0.274 11.906 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.502 0.618 13.330 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.660 -0.203 12.257 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.266 0.632 9.635 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.023 0.741 9.893 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.105 2.185 9.405 1.00 0.00 H new ATOM 866 N ASP A 58 -5.404 3.947 13.893 1.00 0.00 N ATOM 867 CA ASP A 58 -5.117 4.586 15.172 1.00 0.00 C ATOM 868 C ASP A 58 -3.748 5.259 15.148 1.00 0.00 C ATOM 869 O ASP A 58 -2.999 5.200 16.122 1.00 0.00 O ATOM 870 CB ASP A 58 -5.174 3.560 16.304 1.00 0.00 C ATOM 871 CG ASP A 58 -5.471 4.196 17.648 1.00 0.00 C ATOM 872 OD1 ASP A 58 -5.052 5.352 17.863 1.00 0.00 O ATOM 873 OD2 ASP A 58 -6.124 3.537 18.484 1.00 0.00 O ATOM 0 H ASP A 58 -6.306 4.199 13.489 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.875 5.350 15.346 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.940 2.818 16.079 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.223 3.030 16.358 1.00 0.00 H new ATOM 878 N GLY A 59 -3.427 5.898 14.027 1.00 0.00 N ATOM 879 CA GLY A 59 -2.149 6.571 13.896 1.00 0.00 C ATOM 880 C GLY A 59 -0.979 5.607 13.929 1.00 0.00 C ATOM 881 O GLY A 59 -0.057 5.767 14.727 1.00 0.00 O ATOM 0 H GLY A 59 -4.030 5.961 13.207 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.130 7.129 12.960 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.040 7.297 14.702 1.00 0.00 H new ATOM 885 N ASN A 60 -1.018 4.602 13.060 1.00 0.00 N ATOM 886 CA ASN A 60 0.045 3.607 12.995 1.00 0.00 C ATOM 887 C ASN A 60 0.712 3.613 11.623 1.00 0.00 C ATOM 888 O ASN A 60 1.878 3.242 11.485 1.00 0.00 O ATOM 889 CB ASN A 60 -0.512 2.214 13.297 1.00 0.00 C ATOM 890 CG ASN A 60 -0.463 1.881 14.776 1.00 0.00 C ATOM 891 OD1 ASN A 60 0.418 1.150 15.230 1.00 0.00 O ATOM 892 ND2 ASN A 60 -1.412 2.416 15.535 1.00 0.00 N ATOM 0 H ASN A 60 -1.774 4.456 12.391 1.00 0.00 H new ATOM 0 HA ASN A 60 0.794 3.862 13.745 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.543 2.154 12.948 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.057 1.469 12.740 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.431 2.227 16.537 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.122 3.016 15.116 1.00 0.00 H new ATOM 899 N VAL A 61 -0.035 4.038 10.609 1.00 0.00 N ATOM 900 CA VAL A 61 0.483 4.094 9.248 1.00 0.00 C ATOM 901 C VAL A 61 0.275 5.475 8.637 1.00 0.00 C ATOM 902 O VAL A 61 -0.858 5.917 8.446 1.00 0.00 O ATOM 903 CB VAL A 61 -0.188 3.040 8.347 1.00 0.00 C ATOM 904 CG1 VAL A 61 0.317 3.159 6.917 1.00 0.00 C ATOM 905 CG2 VAL A 61 0.056 1.641 8.892 1.00 0.00 C ATOM 0 H VAL A 61 -1.002 4.349 10.705 1.00 0.00 H new ATOM 0 HA VAL A 61 1.551 3.883 9.308 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.263 3.222 8.343 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.168 2.406 6.296 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.086 4.152 6.531 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.396 3.004 6.898 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.425 0.909 8.243 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.128 1.446 8.927 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.360 1.564 9.897 1.00 0.00 H new ATOM 915 N SER A 62 1.377 6.153 8.332 1.00 0.00 N ATOM 916 CA SER A 62 1.315 7.487 7.745 1.00 0.00 C ATOM 917 C SER A 62 2.053 7.528 6.410 1.00 0.00 C ATOM 918 O SER A 62 2.718 6.567 6.026 1.00 0.00 O ATOM 919 CB SER A 62 1.915 8.517 8.704 1.00 0.00 C ATOM 920 OG SER A 62 3.247 8.178 9.048 1.00 0.00 O ATOM 0 H SER A 62 2.323 5.801 8.481 1.00 0.00 H new ATOM 0 HA SER A 62 0.267 7.732 7.569 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.895 9.504 8.242 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.307 8.576 9.607 1.00 0.00 H new ATOM 0 HG SER A 62 3.609 8.852 9.660 1.00 0.00 H new ATOM 926 N GLY A 63 1.930 8.650 5.707 1.00 0.00 N ATOM 927 CA GLY A 63 2.589 8.796 4.423 1.00 0.00 C ATOM 928 C GLY A 63 2.369 10.166 3.811 1.00 0.00 C ATOM 929 O GLY A 63 1.969 11.103 4.500 1.00 0.00 O ATOM 0 H GLY A 63 1.386 9.460 6.004 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.658 8.623 4.545 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.219 8.032 3.739 1.00 0.00 H new ATOM 933 N GLU A 64 2.632 10.282 2.513 1.00 0.00 N ATOM 934 CA GLU A 64 2.462 11.548 1.810 1.00 0.00 C ATOM 935 C GLU A 64 2.126 11.313 0.340 1.00 0.00 C ATOM 936 O GLU A 64 2.719 10.455 -0.315 1.00 0.00 O ATOM 937 CB GLU A 64 3.732 12.395 1.925 1.00 0.00 C ATOM 938 CG GLU A 64 4.719 12.169 0.793 1.00 0.00 C ATOM 939 CD GLU A 64 5.959 13.033 0.918 1.00 0.00 C ATOM 940 OE1 GLU A 64 6.488 13.150 2.044 1.00 0.00 O ATOM 941 OE2 GLU A 64 6.400 13.591 -0.108 1.00 0.00 O ATOM 0 H GLU A 64 2.963 9.515 1.928 1.00 0.00 H new ATOM 0 HA GLU A 64 1.633 12.083 2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.455 13.449 1.949 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.222 12.173 2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.012 11.119 0.776 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.229 12.378 -0.158 1.00 0.00 H new ATOM 948 N PHE A 65 1.170 12.081 -0.172 1.00 0.00 N ATOM 949 CA PHE A 65 0.753 11.957 -1.564 1.00 0.00 C ATOM 950 C PHE A 65 1.747 12.646 -2.493 1.00 0.00 C ATOM 951 O PHE A 65 1.968 13.854 -2.401 1.00 0.00 O ATOM 952 CB PHE A 65 -0.642 12.556 -1.756 1.00 0.00 C ATOM 953 CG PHE A 65 -1.748 11.677 -1.245 1.00 0.00 C ATOM 954 CD1 PHE A 65 -1.513 10.766 -0.228 1.00 0.00 C ATOM 955 CD2 PHE A 65 -3.022 11.762 -1.782 1.00 0.00 C ATOM 956 CE1 PHE A 65 -2.528 9.956 0.245 1.00 0.00 C ATOM 957 CE2 PHE A 65 -4.041 10.955 -1.313 1.00 0.00 C ATOM 958 CZ PHE A 65 -3.794 10.050 -0.299 1.00 0.00 C ATOM 0 H PHE A 65 0.669 12.796 0.356 1.00 0.00 H new ATOM 0 HA PHE A 65 0.723 10.897 -1.815 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.689 13.518 -1.246 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.803 12.749 -2.817 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.525 10.688 0.200 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.221 12.467 -2.576 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.331 9.251 1.039 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.030 11.032 -1.739 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.589 9.417 0.068 1.00 0.00 H new ATOM 968 N THR A 66 2.346 11.869 -3.391 1.00 0.00 N ATOM 969 CA THR A 66 3.318 12.402 -4.336 1.00 0.00 C ATOM 970 C THR A 66 2.689 12.621 -5.707 1.00 0.00 C ATOM 971 O THR A 66 2.989 13.600 -6.390 1.00 0.00 O ATOM 972 CB THR A 66 4.531 11.464 -4.485 1.00 0.00 C ATOM 973 OG1 THR A 66 4.092 10.147 -4.835 1.00 0.00 O ATOM 974 CG2 THR A 66 5.334 11.410 -3.194 1.00 0.00 C ATOM 0 H THR A 66 2.174 10.868 -3.483 1.00 0.00 H new ATOM 0 HA THR A 66 3.655 13.358 -3.936 1.00 0.00 H new ATOM 0 HB THR A 66 5.170 11.855 -5.276 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.114 10.107 -4.797 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.185 10.742 -3.323 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.691 12.409 -2.946 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.701 11.040 -2.387 1.00 0.00 H new ATOM 982 N ASP A 67 1.814 11.703 -6.104 1.00 0.00 N ATOM 983 CA ASP A 67 1.140 11.797 -7.394 1.00 0.00 C ATOM 984 C ASP A 67 -0.329 11.404 -7.270 1.00 0.00 C ATOM 985 O ASP A 67 -0.678 10.498 -6.511 1.00 0.00 O ATOM 986 CB ASP A 67 1.835 10.903 -8.423 1.00 0.00 C ATOM 987 CG ASP A 67 1.707 11.439 -9.835 1.00 0.00 C ATOM 988 OD1 ASP A 67 0.589 11.391 -10.389 1.00 0.00 O ATOM 989 OD2 ASP A 67 2.725 11.906 -10.388 1.00 0.00 O ATOM 0 H ASP A 67 1.555 10.886 -5.551 1.00 0.00 H new ATOM 0 HA ASP A 67 1.193 12.833 -7.729 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.890 10.811 -8.167 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.408 9.901 -8.377 1.00 0.00 H new ATOM 994 N LEU A 68 -1.185 12.090 -8.019 1.00 0.00 N ATOM 995 CA LEU A 68 -2.617 11.813 -7.992 1.00 0.00 C ATOM 996 C LEU A 68 -3.230 11.983 -9.378 1.00 0.00 C ATOM 997 O LEU A 68 -3.321 13.096 -9.897 1.00 0.00 O ATOM 998 CB LEU A 68 -3.317 12.739 -6.995 1.00 0.00 C ATOM 999 CG LEU A 68 -2.998 12.501 -5.519 1.00 0.00 C ATOM 1000 CD1 LEU A 68 -3.561 13.625 -4.663 1.00 0.00 C ATOM 1001 CD2 LEU A 68 -3.547 11.156 -5.066 1.00 0.00 C ATOM 0 H LEU A 68 -0.913 12.842 -8.652 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.756 10.779 -7.677 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.056 13.768 -7.241 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.394 12.641 -7.134 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.915 12.488 -5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.324 13.438 -3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.120 14.573 -4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.643 13.670 -4.788 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.311 11.003 -4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.628 11.140 -5.202 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.095 10.360 -5.659 1.00 0.00 H new ATOM 1013 N VAL A 69 -3.652 10.871 -9.973 1.00 0.00 N ATOM 1014 CA VAL A 69 -4.261 10.897 -11.298 1.00 0.00 C ATOM 1015 C VAL A 69 -5.733 10.509 -11.234 1.00 0.00 C ATOM 1016 O VAL A 69 -6.129 9.592 -10.513 1.00 0.00 O ATOM 1017 CB VAL A 69 -3.532 9.948 -12.268 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -4.044 10.140 -13.688 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -2.029 10.168 -12.200 1.00 0.00 C ATOM 0 H VAL A 69 -3.583 9.942 -9.559 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.174 11.919 -11.667 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.739 8.921 -11.968 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.518 9.461 -14.359 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.113 9.927 -13.721 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.869 11.169 -14.002 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.530 9.489 -12.892 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.799 11.198 -12.473 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.679 9.975 -11.186 1.00 0.00 H new ATOM 1029 N PRO A 70 -6.567 11.222 -12.006 1.00 0.00 N ATOM 1030 CA PRO A 70 -8.010 10.969 -12.055 1.00 0.00 C ATOM 1031 C PRO A 70 -8.334 9.490 -12.235 1.00 0.00 C ATOM 1032 O PRO A 70 -8.036 8.902 -13.274 1.00 0.00 O ATOM 1033 CB PRO A 70 -8.468 11.769 -13.277 1.00 0.00 C ATOM 1034 CG PRO A 70 -7.464 12.860 -13.414 1.00 0.00 C ATOM 1035 CD PRO A 70 -6.165 12.329 -12.889 1.00 0.00 C ATOM 0 HA PRO A 70 -8.506 11.257 -11.128 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.498 11.145 -14.170 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.471 12.170 -13.134 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.364 13.163 -14.456 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.774 13.742 -12.854 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.520 11.982 -13.696 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.611 13.094 -12.344 1.00 0.00 H new ATOM 1043 N GLU A 71 -8.947 8.895 -11.216 1.00 0.00 N ATOM 1044 CA GLU A 71 -9.311 7.484 -11.263 1.00 0.00 C ATOM 1045 C GLU A 71 -8.363 6.708 -12.172 1.00 0.00 C ATOM 1046 O GLU A 71 -8.797 5.941 -13.032 1.00 0.00 O ATOM 1047 CB GLU A 71 -10.751 7.321 -11.753 1.00 0.00 C ATOM 1048 CG GLU A 71 -11.737 8.249 -11.062 1.00 0.00 C ATOM 1049 CD GLU A 71 -13.098 8.257 -11.731 1.00 0.00 C ATOM 1050 OE1 GLU A 71 -13.352 7.369 -12.571 1.00 0.00 O ATOM 1051 OE2 GLU A 71 -13.909 9.152 -11.414 1.00 0.00 O ATOM 0 H GLU A 71 -9.202 9.368 -10.349 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.231 7.081 -10.253 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.784 7.504 -12.827 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.065 6.289 -11.596 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.850 7.944 -10.022 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.334 9.262 -11.055 1.00 0.00 H new ATOM 1058 N LYS A 72 -7.065 6.913 -11.976 1.00 0.00 N ATOM 1059 CA LYS A 72 -6.053 6.233 -12.776 1.00 0.00 C ATOM 1060 C LYS A 72 -5.033 5.533 -11.884 1.00 0.00 C ATOM 1061 O LYS A 72 -4.842 4.320 -11.975 1.00 0.00 O ATOM 1062 CB LYS A 72 -5.343 7.231 -13.694 1.00 0.00 C ATOM 1063 CG LYS A 72 -6.169 7.640 -14.902 1.00 0.00 C ATOM 1064 CD LYS A 72 -5.775 6.851 -16.139 1.00 0.00 C ATOM 1065 CE LYS A 72 -4.312 7.067 -16.495 1.00 0.00 C ATOM 1066 NZ LYS A 72 -3.440 6.002 -15.926 1.00 0.00 N ATOM 0 H LYS A 72 -6.689 7.545 -11.269 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.554 5.480 -13.385 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.088 8.122 -13.120 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.405 6.793 -14.037 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.227 7.483 -14.691 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.036 8.705 -15.091 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.956 5.790 -15.968 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.403 7.150 -16.978 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.201 7.087 -17.579 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.987 8.039 -16.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.678 6.438 -15.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.006 5.381 -15.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.026 5.442 -16.699 1.00 0.00 H new ATOM 1080 N HIS A 73 -4.380 6.305 -11.020 1.00 0.00 N ATOM 1081 CA HIS A 73 -3.381 5.758 -10.109 1.00 0.00 C ATOM 1082 C HIS A 73 -3.046 6.758 -9.007 1.00 0.00 C ATOM 1083 O HIS A 73 -3.340 7.948 -9.125 1.00 0.00 O ATOM 1084 CB HIS A 73 -2.113 5.382 -10.876 1.00 0.00 C ATOM 1085 CG HIS A 73 -1.004 6.377 -10.723 1.00 0.00 C ATOM 1086 ND1 HIS A 73 -1.031 7.728 -10.651 1.00 0.00 N flip ATOM 1087 CD2 HIS A 73 0.324 6.016 -10.629 1.00 0.00 C flip ATOM 1088 CE1 HIS A 73 0.268 8.155 -10.514 1.00 0.00 C flip ATOM 1089 NE2 HIS A 73 1.065 7.102 -10.504 1.00 0.00 N flip ATOM 0 H HIS A 73 -4.525 7.311 -10.932 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.797 4.862 -9.648 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.766 4.408 -10.533 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.355 5.280 -11.934 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.699 5.004 -10.654 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.585 9.184 -10.428 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.081 7.124 -10.415 1.00 0.00 H new ATOM 1098 N ILE A 74 -2.430 6.267 -7.937 1.00 0.00 N ATOM 1099 CA ILE A 74 -2.055 7.118 -6.814 1.00 0.00 C ATOM 1100 C ILE A 74 -0.699 6.713 -6.246 1.00 0.00 C ATOM 1101 O ILE A 74 -0.466 5.543 -5.942 1.00 0.00 O ATOM 1102 CB ILE A 74 -3.107 7.065 -5.691 1.00 0.00 C ATOM 1103 CG1 ILE A 74 -4.480 7.472 -6.229 1.00 0.00 C ATOM 1104 CG2 ILE A 74 -2.696 7.966 -4.537 1.00 0.00 C ATOM 1105 CD1 ILE A 74 -5.617 7.158 -5.282 1.00 0.00 C ATOM 0 H ILE A 74 -2.180 5.285 -7.824 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.996 8.137 -7.196 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.171 6.041 -5.322 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.477 8.542 -6.438 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.656 6.963 -7.176 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.450 7.918 -3.751 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.736 7.634 -4.140 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.607 8.993 -4.891 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.560 7.474 -5.728 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.646 6.085 -5.092 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.465 7.689 -4.342 1.00 0.00 H new ATOM 1117 N VAL A 75 0.192 7.688 -6.102 1.00 0.00 N ATOM 1118 CA VAL A 75 1.524 7.434 -5.567 1.00 0.00 C ATOM 1119 C VAL A 75 1.735 8.165 -4.246 1.00 0.00 C ATOM 1120 O VAL A 75 1.602 9.386 -4.172 1.00 0.00 O ATOM 1121 CB VAL A 75 2.620 7.866 -6.560 1.00 0.00 C ATOM 1122 CG1 VAL A 75 3.988 7.406 -6.079 1.00 0.00 C ATOM 1123 CG2 VAL A 75 2.324 7.323 -7.949 1.00 0.00 C ATOM 0 H VAL A 75 0.015 8.662 -6.349 1.00 0.00 H new ATOM 0 HA VAL A 75 1.598 6.359 -5.400 1.00 0.00 H new ATOM 0 HB VAL A 75 2.628 8.955 -6.615 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.749 7.720 -6.793 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.199 7.848 -5.105 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.997 6.319 -5.993 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.108 7.638 -8.637 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.288 6.234 -7.914 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.364 7.707 -8.293 1.00 0.00 H new ATOM 1133 N MET A 76 2.064 7.409 -3.203 1.00 0.00 N ATOM 1134 CA MET A 76 2.294 7.985 -1.884 1.00 0.00 C ATOM 1135 C MET A 76 3.279 7.138 -1.085 1.00 0.00 C ATOM 1136 O MET A 76 3.668 6.051 -1.512 1.00 0.00 O ATOM 1137 CB MET A 76 0.974 8.110 -1.121 1.00 0.00 C ATOM 1138 CG MET A 76 0.501 6.802 -0.508 1.00 0.00 C ATOM 1139 SD MET A 76 -1.236 6.851 -0.024 1.00 0.00 S ATOM 1140 CE MET A 76 -1.808 5.276 -0.657 1.00 0.00 C ATOM 0 H MET A 76 2.177 6.396 -3.246 1.00 0.00 H new ATOM 0 HA MET A 76 2.722 8.978 -2.019 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.089 8.852 -0.331 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.206 8.483 -1.798 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.652 5.994 -1.224 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.111 6.573 0.365 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.869 5.158 -0.435 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.657 5.241 -1.736 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.247 4.469 -0.186 1.00 0.00 H new ATOM 1150 N LYS A 77 3.679 7.642 0.078 1.00 0.00 N ATOM 1151 CA LYS A 77 4.617 6.931 0.938 1.00 0.00 C ATOM 1152 C LYS A 77 3.877 6.070 1.957 1.00 0.00 C ATOM 1153 O LYS A 77 2.758 6.390 2.356 1.00 0.00 O ATOM 1154 CB LYS A 77 5.531 7.924 1.661 1.00 0.00 C ATOM 1155 CG LYS A 77 6.672 8.437 0.801 1.00 0.00 C ATOM 1156 CD LYS A 77 7.702 9.187 1.630 1.00 0.00 C ATOM 1157 CE LYS A 77 7.377 10.670 1.713 1.00 0.00 C ATOM 1158 NZ LYS A 77 8.500 11.451 2.303 1.00 0.00 N ATOM 0 H LYS A 77 3.368 8.541 0.446 1.00 0.00 H new ATOM 0 HA LYS A 77 5.224 6.278 0.310 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.936 8.771 2.003 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.943 7.445 2.549 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.152 7.600 0.294 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.278 9.095 0.027 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.740 8.765 2.634 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.691 9.054 1.191 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.155 11.050 0.716 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.480 10.812 2.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.203 12.439 2.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.763 11.041 3.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.319 11.419 1.663 1.00 0.00 H new ATOM 1172 N TRP A 78 4.510 4.979 2.373 1.00 0.00 N ATOM 1173 CA TRP A 78 3.911 4.074 3.347 1.00 0.00 C ATOM 1174 C TRP A 78 4.930 3.656 4.401 1.00 0.00 C ATOM 1175 O TRP A 78 6.093 3.402 4.086 1.00 0.00 O ATOM 1176 CB TRP A 78 3.348 2.837 2.645 1.00 0.00 C ATOM 1177 CG TRP A 78 2.265 2.153 3.423 1.00 0.00 C ATOM 1178 CD1 TRP A 78 0.919 2.258 3.221 1.00 0.00 C ATOM 1179 CD2 TRP A 78 2.438 1.260 4.530 1.00 0.00 C ATOM 1180 NE1 TRP A 78 0.244 1.485 4.134 1.00 0.00 N ATOM 1181 CE2 TRP A 78 1.153 0.862 4.948 1.00 0.00 C ATOM 1182 CE3 TRP A 78 3.552 0.757 5.206 1.00 0.00 C ATOM 1183 CZ2 TRP A 78 0.955 -0.014 6.011 1.00 0.00 C ATOM 1184 CZ3 TRP A 78 3.354 -0.112 6.262 1.00 0.00 C ATOM 1185 CH2 TRP A 78 2.064 -0.491 6.656 1.00 0.00 C ATOM 0 H TRP A 78 5.437 4.700 2.051 1.00 0.00 H new ATOM 0 HA TRP A 78 3.098 4.602 3.845 1.00 0.00 H new ATOM 0 HB2 TRP A 78 2.957 3.128 1.670 1.00 0.00 H new ATOM 0 HB3 TRP A 78 4.158 2.130 2.465 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.453 2.861 2.455 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -0.770 1.390 4.196 1.00 0.00 H new ATOM 0 HE3 TRP A 78 4.550 1.042 4.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -0.039 -0.307 6.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.208 -0.506 6.793 1.00 0.00 H new ATOM 0 HH2 TRP A 78 1.942 -1.173 7.485 1.00 0.00 H new ATOM 1196 N ARG A 79 4.487 3.587 5.652 1.00 0.00 N ATOM 1197 CA ARG A 79 5.363 3.200 6.752 1.00 0.00 C ATOM 1198 C ARG A 79 4.561 2.971 8.030 1.00 0.00 C ATOM 1199 O ARG A 79 3.390 3.340 8.115 1.00 0.00 O ATOM 1200 CB ARG A 79 6.424 4.276 6.989 1.00 0.00 C ATOM 1201 CG ARG A 79 5.865 5.568 7.562 1.00 0.00 C ATOM 1202 CD ARG A 79 6.885 6.276 8.440 1.00 0.00 C ATOM 1203 NE ARG A 79 7.101 5.575 9.703 1.00 0.00 N ATOM 1204 CZ ARG A 79 7.616 6.149 10.784 1.00 0.00 C ATOM 1205 NH1 ARG A 79 7.967 7.428 10.756 1.00 0.00 N ATOM 1206 NH2 ARG A 79 7.782 5.445 11.896 1.00 0.00 N ATOM 0 H ARG A 79 3.527 3.794 5.929 1.00 0.00 H new ATOM 0 HA ARG A 79 5.856 2.267 6.480 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.181 3.884 7.669 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.925 4.494 6.046 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.564 6.228 6.748 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.970 5.351 8.145 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.831 6.357 7.904 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.546 7.292 8.643 1.00 0.00 H new ATOM 0 HE ARG A 79 6.842 4.590 9.758 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.841 7.973 9.903 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.362 7.867 11.588 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.514 4.461 11.922 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.178 5.887 12.725 1.00 0.00 H new ATOM 1220 N PHE A 80 5.200 2.359 9.022 1.00 0.00 N ATOM 1221 CA PHE A 80 4.546 2.079 10.295 1.00 0.00 C ATOM 1222 C PHE A 80 4.970 3.089 11.357 1.00 0.00 C ATOM 1223 O PHE A 80 5.968 3.792 11.199 1.00 0.00 O ATOM 1224 CB PHE A 80 4.879 0.661 10.762 1.00 0.00 C ATOM 1225 CG PHE A 80 3.862 -0.362 10.343 1.00 0.00 C ATOM 1226 CD1 PHE A 80 2.508 -0.126 10.519 1.00 0.00 C ATOM 1227 CD2 PHE A 80 4.260 -1.561 9.772 1.00 0.00 C ATOM 1228 CE1 PHE A 80 1.570 -1.065 10.134 1.00 0.00 C ATOM 1229 CE2 PHE A 80 3.326 -2.503 9.385 1.00 0.00 C ATOM 1230 CZ PHE A 80 1.979 -2.255 9.567 1.00 0.00 C ATOM 0 H PHE A 80 6.170 2.048 8.969 1.00 0.00 H new ATOM 0 HA PHE A 80 3.469 2.162 10.148 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.854 0.376 10.366 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.962 0.655 11.849 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.182 0.803 10.962 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.312 -1.761 9.628 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.518 -0.868 10.277 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.649 -3.433 8.940 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.248 -2.991 9.266 1.00 0.00 H new ATOM 1240 N LYS A 81 4.204 3.155 12.441 1.00 0.00 N ATOM 1241 CA LYS A 81 4.498 4.078 13.531 1.00 0.00 C ATOM 1242 C LYS A 81 5.690 3.591 14.349 1.00 0.00 C ATOM 1243 O LYS A 81 6.130 4.262 15.282 1.00 0.00 O ATOM 1244 CB LYS A 81 3.275 4.235 14.437 1.00 0.00 C ATOM 1245 CG LYS A 81 3.583 4.906 15.765 1.00 0.00 C ATOM 1246 CD LYS A 81 3.942 3.888 16.834 1.00 0.00 C ATOM 1247 CE LYS A 81 2.706 3.180 17.367 1.00 0.00 C ATOM 1248 NZ LYS A 81 3.039 1.860 17.970 1.00 0.00 N ATOM 0 H LYS A 81 3.375 2.580 12.588 1.00 0.00 H new ATOM 0 HA LYS A 81 4.748 5.046 13.097 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.517 4.817 13.913 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.846 3.251 14.628 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.408 5.607 15.637 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.719 5.486 16.089 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.634 3.154 16.421 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.459 4.387 17.654 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.221 3.809 18.114 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.991 3.039 16.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.170 1.410 18.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.478 1.251 17.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.702 1.996 18.760 1.00 0.00 H new ATOM 1262 N SER A 82 6.209 2.421 13.991 1.00 0.00 N ATOM 1263 CA SER A 82 7.349 1.843 14.693 1.00 0.00 C ATOM 1264 C SER A 82 8.570 1.773 13.781 1.00 0.00 C ATOM 1265 O SER A 82 9.690 1.547 14.241 1.00 0.00 O ATOM 1266 CB SER A 82 7.003 0.445 15.209 1.00 0.00 C ATOM 1267 OG SER A 82 7.916 0.030 16.210 1.00 0.00 O ATOM 0 H SER A 82 5.858 1.855 13.219 1.00 0.00 H new ATOM 0 HA SER A 82 7.586 2.486 15.540 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.991 0.443 15.613 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.018 -0.265 14.382 1.00 0.00 H new ATOM 0 HG SER A 82 8.819 0.327 15.973 1.00 0.00 H new ATOM 1273 N TRP A 83 8.345 1.968 12.487 1.00 0.00 N ATOM 1274 CA TRP A 83 9.427 1.927 11.509 1.00 0.00 C ATOM 1275 C TRP A 83 10.513 2.939 11.855 1.00 0.00 C ATOM 1276 O TRP A 83 10.280 3.917 12.566 1.00 0.00 O ATOM 1277 CB TRP A 83 8.884 2.203 10.106 1.00 0.00 C ATOM 1278 CG TRP A 83 8.381 0.974 9.411 1.00 0.00 C ATOM 1279 CD1 TRP A 83 8.070 -0.224 9.988 1.00 0.00 C ATOM 1280 CD2 TRP A 83 8.133 0.823 8.009 1.00 0.00 C ATOM 1281 NE1 TRP A 83 7.643 -1.111 9.028 1.00 0.00 N ATOM 1282 CE2 TRP A 83 7.672 -0.492 7.806 1.00 0.00 C ATOM 1283 CE3 TRP A 83 8.253 1.672 6.905 1.00 0.00 C ATOM 1284 CZ2 TRP A 83 7.334 -0.976 6.546 1.00 0.00 C ATOM 1285 CZ3 TRP A 83 7.918 1.190 5.655 1.00 0.00 C ATOM 1286 CH2 TRP A 83 7.462 -0.124 5.483 1.00 0.00 C ATOM 0 H TRP A 83 7.424 2.156 12.090 1.00 0.00 H new ATOM 0 HA TRP A 83 9.866 0.930 11.532 1.00 0.00 H new ATOM 0 HB2 TRP A 83 8.075 2.930 10.174 1.00 0.00 H new ATOM 0 HB3 TRP A 83 9.670 2.657 9.503 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.148 -0.443 11.043 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.352 -2.074 9.198 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.602 2.687 7.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 6.983 -1.989 6.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 8.009 1.837 4.795 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.207 -0.471 4.493 1.00 0.00 H new ATOM 1333 N HIS A 87 12.097 6.719 7.317 1.00 0.00 N ATOM 1334 CA HIS A 87 12.104 5.538 6.461 1.00 0.00 C ATOM 1335 C HIS A 87 10.696 5.214 5.971 1.00 0.00 C ATOM 1336 O HIS A 87 9.896 4.623 6.697 1.00 0.00 O ATOM 1337 CB HIS A 87 12.683 4.340 7.215 1.00 0.00 C ATOM 1338 CG HIS A 87 13.062 3.198 6.323 1.00 0.00 C ATOM 1339 ND1 HIS A 87 14.368 2.890 6.009 1.00 0.00 N ATOM 1340 CD2 HIS A 87 12.296 2.286 5.679 1.00 0.00 C ATOM 1341 CE1 HIS A 87 14.390 1.839 5.209 1.00 0.00 C ATOM 1342 NE2 HIS A 87 13.145 1.453 4.994 1.00 0.00 N ATOM 0 HA HIS A 87 12.731 5.750 5.595 1.00 0.00 H new ATOM 0 HB2 HIS A 87 13.562 4.662 7.772 1.00 0.00 H new ATOM 0 HB3 HIS A 87 11.952 3.993 7.945 1.00 0.00 H new ATOM 0 HD2 HIS A 87 11.218 2.225 5.700 1.00 0.00 H new ATOM 0 HE1 HIS A 87 15.275 1.374 4.800 1.00 0.00 H new ATOM 0 HE2 HIS A 87 12.861 0.664 4.413 1.00 0.00 H new ATOM 1351 N PHE A 88 10.400 5.605 4.736 1.00 0.00 N ATOM 1352 CA PHE A 88 9.088 5.358 4.150 1.00 0.00 C ATOM 1353 C PHE A 88 9.204 4.473 2.912 1.00 0.00 C ATOM 1354 O PHE A 88 10.302 4.224 2.414 1.00 0.00 O ATOM 1355 CB PHE A 88 8.412 6.681 3.784 1.00 0.00 C ATOM 1356 CG PHE A 88 7.986 7.487 4.977 1.00 0.00 C ATOM 1357 CD1 PHE A 88 8.928 8.035 5.832 1.00 0.00 C ATOM 1358 CD2 PHE A 88 6.642 7.695 5.245 1.00 0.00 C ATOM 1359 CE1 PHE A 88 8.539 8.778 6.931 1.00 0.00 C ATOM 1360 CE2 PHE A 88 6.247 8.436 6.342 1.00 0.00 C ATOM 1361 CZ PHE A 88 7.197 8.978 7.187 1.00 0.00 C ATOM 0 H PHE A 88 11.051 6.094 4.122 1.00 0.00 H new ATOM 0 HA PHE A 88 8.478 4.840 4.890 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.098 7.275 3.180 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.539 6.475 3.165 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.979 7.880 5.638 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.895 7.273 4.589 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.284 9.201 7.588 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.197 8.592 6.539 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.890 9.557 8.046 1.00 0.00 H new ATOM 1371 N ALA A 89 8.063 4.001 2.421 1.00 0.00 N ATOM 1372 CA ALA A 89 8.035 3.145 1.241 1.00 0.00 C ATOM 1373 C ALA A 89 7.199 3.770 0.129 1.00 0.00 C ATOM 1374 O ALA A 89 6.098 4.265 0.369 1.00 0.00 O ATOM 1375 CB ALA A 89 7.495 1.769 1.600 1.00 0.00 C ATOM 0 H ALA A 89 7.146 4.197 2.822 1.00 0.00 H new ATOM 0 HA ALA A 89 9.056 3.038 0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.480 1.140 0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.135 1.313 2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.483 1.866 1.993 1.00 0.00 H new ATOM 1381 N THR A 90 7.730 3.745 -1.089 1.00 0.00 N ATOM 1382 CA THR A 90 7.034 4.310 -2.238 1.00 0.00 C ATOM 1383 C THR A 90 5.989 3.342 -2.780 1.00 0.00 C ATOM 1384 O THR A 90 6.327 2.286 -3.316 1.00 0.00 O ATOM 1385 CB THR A 90 8.017 4.672 -3.368 1.00 0.00 C ATOM 1386 OG1 THR A 90 9.114 5.426 -2.840 1.00 0.00 O ATOM 1387 CG2 THR A 90 7.319 5.476 -4.455 1.00 0.00 C ATOM 0 H THR A 90 8.640 3.339 -1.305 1.00 0.00 H new ATOM 0 HA THR A 90 6.539 5.217 -1.892 1.00 0.00 H new ATOM 0 HB THR A 90 8.390 3.746 -3.806 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.735 5.651 -3.564 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.033 5.720 -5.242 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.503 4.888 -4.875 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.921 6.396 -4.028 1.00 0.00 H new ATOM 1395 N ILE A 91 4.720 3.707 -2.636 1.00 0.00 N ATOM 1396 CA ILE A 91 3.626 2.870 -3.113 1.00 0.00 C ATOM 1397 C ILE A 91 2.901 3.527 -4.283 1.00 0.00 C ATOM 1398 O ILE A 91 2.655 4.734 -4.278 1.00 0.00 O ATOM 1399 CB ILE A 91 2.610 2.578 -1.993 1.00 0.00 C ATOM 1400 CG1 ILE A 91 3.147 1.492 -1.059 1.00 0.00 C ATOM 1401 CG2 ILE A 91 1.273 2.161 -2.586 1.00 0.00 C ATOM 1402 CD1 ILE A 91 4.528 1.789 -0.517 1.00 0.00 C ATOM 0 H ILE A 91 4.424 4.577 -2.193 1.00 0.00 H new ATOM 0 HA ILE A 91 4.069 1.931 -3.444 1.00 0.00 H new ATOM 0 HB ILE A 91 2.459 3.488 -1.413 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.457 1.368 -0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.172 0.543 -1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.566 1.958 -1.782 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.887 2.964 -3.214 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.406 1.262 -3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.845 0.977 0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.231 1.883 -1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.505 2.721 0.047 1.00 0.00 H new ATOM 1414 N THR A 92 2.558 2.724 -5.286 1.00 0.00 N ATOM 1415 CA THR A 92 1.861 3.227 -6.463 1.00 0.00 C ATOM 1416 C THR A 92 0.650 2.362 -6.795 1.00 0.00 C ATOM 1417 O THR A 92 0.783 1.293 -7.393 1.00 0.00 O ATOM 1418 CB THR A 92 2.792 3.279 -7.689 1.00 0.00 C ATOM 1419 OG1 THR A 92 3.966 4.038 -7.380 1.00 0.00 O ATOM 1420 CG2 THR A 92 2.081 3.898 -8.883 1.00 0.00 C ATOM 0 H THR A 92 2.752 1.723 -5.306 1.00 0.00 H new ATOM 0 HA THR A 92 1.529 4.238 -6.226 1.00 0.00 H new ATOM 0 HB THR A 92 3.076 2.258 -7.945 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.554 4.065 -8.164 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.758 3.924 -9.737 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.204 3.301 -9.134 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.770 4.913 -8.635 1.00 0.00 H new ATOM 1428 N LEU A 93 -0.530 2.830 -6.406 1.00 0.00 N ATOM 1429 CA LEU A 93 -1.766 2.099 -6.663 1.00 0.00 C ATOM 1430 C LEU A 93 -2.319 2.433 -8.045 1.00 0.00 C ATOM 1431 O LEU A 93 -2.095 3.525 -8.568 1.00 0.00 O ATOM 1432 CB LEU A 93 -2.808 2.426 -5.592 1.00 0.00 C ATOM 1433 CG LEU A 93 -2.603 1.761 -4.231 1.00 0.00 C ATOM 1434 CD1 LEU A 93 -3.546 2.357 -3.197 1.00 0.00 C ATOM 1435 CD2 LEU A 93 -2.807 0.256 -4.336 1.00 0.00 C ATOM 0 H LEU A 93 -0.658 3.713 -5.911 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.542 1.033 -6.629 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.824 3.506 -5.447 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.790 2.140 -5.969 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.579 1.948 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.385 1.871 -2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.352 3.425 -3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.578 2.203 -3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.657 -0.201 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.820 0.049 -4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.090 -0.160 -5.044 1.00 0.00 H new ATOM 1447 N THR A 94 -3.044 1.486 -8.632 1.00 0.00 N ATOM 1448 CA THR A 94 -3.630 1.680 -9.952 1.00 0.00 C ATOM 1449 C THR A 94 -5.030 1.080 -10.026 1.00 0.00 C ATOM 1450 O THR A 94 -5.261 -0.039 -9.567 1.00 0.00 O ATOM 1451 CB THR A 94 -2.755 1.051 -11.053 1.00 0.00 C ATOM 1452 OG1 THR A 94 -1.371 1.169 -10.706 1.00 0.00 O ATOM 1453 CG2 THR A 94 -3.006 1.724 -12.394 1.00 0.00 C ATOM 0 H THR A 94 -3.239 0.577 -8.214 1.00 0.00 H new ATOM 0 HA THR A 94 -3.690 2.756 -10.116 1.00 0.00 H new ATOM 0 HB THR A 94 -3.019 -0.003 -11.138 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.822 0.765 -11.410 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.377 1.263 -13.156 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.054 1.607 -12.669 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.767 2.785 -12.319 1.00 0.00 H new ATOM 1461 N PHE A 95 -5.960 1.830 -10.608 1.00 0.00 N ATOM 1462 CA PHE A 95 -7.338 1.371 -10.742 1.00 0.00 C ATOM 1463 C PHE A 95 -7.635 0.957 -12.180 1.00 0.00 C ATOM 1464 O PHE A 95 -7.492 1.752 -13.109 1.00 0.00 O ATOM 1465 CB PHE A 95 -8.308 2.471 -10.305 1.00 0.00 C ATOM 1466 CG PHE A 95 -8.013 3.022 -8.939 1.00 0.00 C ATOM 1467 CD1 PHE A 95 -6.952 3.891 -8.743 1.00 0.00 C ATOM 1468 CD2 PHE A 95 -8.798 2.673 -7.852 1.00 0.00 C ATOM 1469 CE1 PHE A 95 -6.679 4.400 -7.487 1.00 0.00 C ATOM 1470 CE2 PHE A 95 -8.530 3.178 -6.594 1.00 0.00 C ATOM 1471 CZ PHE A 95 -7.469 4.044 -6.412 1.00 0.00 C ATOM 0 H PHE A 95 -5.785 2.758 -10.994 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.471 0.502 -10.098 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.274 3.283 -11.031 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.323 2.075 -10.317 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.331 4.174 -9.580 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.630 1.998 -7.990 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.848 5.076 -7.347 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -9.149 2.896 -5.755 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.258 4.442 -5.430 1.00 0.00 H new ATOM 1481 N ILE A 96 -8.049 -0.294 -12.355 1.00 0.00 N ATOM 1482 CA ILE A 96 -8.368 -0.814 -13.678 1.00 0.00 C ATOM 1483 C ILE A 96 -9.862 -1.084 -13.818 1.00 0.00 C ATOM 1484 O ILE A 96 -10.521 -1.495 -12.864 1.00 0.00 O ATOM 1485 CB ILE A 96 -7.594 -2.113 -13.974 1.00 0.00 C ATOM 1486 CG1 ILE A 96 -6.088 -1.875 -13.845 1.00 0.00 C ATOM 1487 CG2 ILE A 96 -7.937 -2.630 -15.363 1.00 0.00 C ATOM 1488 CD1 ILE A 96 -5.280 -3.151 -13.752 1.00 0.00 C ATOM 0 H ILE A 96 -8.171 -0.965 -11.597 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.070 -0.050 -14.397 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.888 -2.868 -13.245 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.745 -1.299 -14.704 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -5.899 -1.269 -12.959 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.382 -3.548 -15.557 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.006 -2.833 -15.422 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.669 -1.880 -16.107 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -4.222 -2.906 -13.663 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.596 -3.719 -12.877 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.439 -3.749 -14.649 1.00 0.00 H new ATOM 1500 N ASP A 97 -10.390 -0.851 -15.015 1.00 0.00 N ATOM 1501 CA ASP A 97 -11.807 -1.071 -15.282 1.00 0.00 C ATOM 1502 C ASP A 97 -12.038 -2.455 -15.879 1.00 0.00 C ATOM 1503 O ASP A 97 -11.425 -2.821 -16.882 1.00 0.00 O ATOM 1504 CB ASP A 97 -12.342 0.004 -16.230 1.00 0.00 C ATOM 1505 CG ASP A 97 -13.672 -0.380 -16.848 1.00 0.00 C ATOM 1506 OD1 ASP A 97 -13.702 -1.344 -17.641 1.00 0.00 O ATOM 1507 OD2 ASP A 97 -14.683 0.284 -16.537 1.00 0.00 O ATOM 0 H ASP A 97 -9.858 -0.510 -15.816 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.344 -1.009 -14.336 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.455 0.941 -15.685 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -11.614 0.181 -17.022 1.00 0.00 H new ATOM 1512 N LYS A 98 -12.927 -3.222 -15.256 1.00 0.00 N ATOM 1513 CA LYS A 98 -13.241 -4.566 -15.725 1.00 0.00 C ATOM 1514 C LYS A 98 -14.731 -4.707 -16.015 1.00 0.00 C ATOM 1515 O LYS A 98 -15.236 -5.814 -16.194 1.00 0.00 O ATOM 1516 CB LYS A 98 -12.812 -5.604 -14.685 1.00 0.00 C ATOM 1517 CG LYS A 98 -11.526 -5.245 -13.961 1.00 0.00 C ATOM 1518 CD LYS A 98 -10.307 -5.500 -14.831 1.00 0.00 C ATOM 1519 CE LYS A 98 -9.743 -6.895 -14.606 1.00 0.00 C ATOM 1520 NZ LYS A 98 -10.367 -7.898 -15.512 1.00 0.00 N ATOM 0 H LYS A 98 -13.443 -2.935 -14.424 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.691 -4.739 -16.650 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -13.610 -5.723 -13.952 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -12.685 -6.568 -15.177 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.553 -4.195 -13.669 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.448 -5.829 -13.044 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.576 -5.380 -15.880 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.540 -4.757 -14.612 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.665 -6.881 -14.767 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.907 -7.190 -13.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.729 -8.712 -15.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.270 -8.218 -15.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.539 -7.466 -16.442 1.00 0.00 H new ATOM 1534 N ASN A 99 -15.430 -3.577 -16.060 1.00 0.00 N ATOM 1535 CA ASN A 99 -16.863 -3.575 -16.330 1.00 0.00 C ATOM 1536 C ASN A 99 -17.641 -4.138 -15.144 1.00 0.00 C ATOM 1537 O ASN A 99 -18.519 -4.983 -15.308 1.00 0.00 O ATOM 1538 CB ASN A 99 -17.168 -4.392 -17.587 1.00 0.00 C ATOM 1539 CG ASN A 99 -18.375 -3.866 -18.340 1.00 0.00 C ATOM 1540 OD1 ASN A 99 -18.243 -3.270 -19.409 1.00 0.00 O ATOM 1541 ND2 ASN A 99 -19.561 -4.085 -17.783 1.00 0.00 N ATOM 0 H ASN A 99 -15.027 -2.652 -15.913 1.00 0.00 H new ATOM 0 HA ASN A 99 -17.175 -2.543 -16.491 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -16.299 -4.379 -18.245 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -17.342 -5.431 -17.308 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -20.409 -3.754 -18.243 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -19.623 -4.584 -16.895 1.00 0.00 H new ATOM 1548 N GLY A 100 -17.311 -3.661 -13.947 1.00 0.00 N ATOM 1549 CA GLY A 100 -17.987 -4.127 -12.750 1.00 0.00 C ATOM 1550 C GLY A 100 -17.044 -4.283 -11.574 1.00 0.00 C ATOM 1551 O GLY A 100 -17.428 -4.051 -10.428 1.00 0.00 O ATOM 0 H GLY A 100 -16.588 -2.960 -13.785 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -18.778 -3.425 -12.487 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -18.466 -5.084 -12.957 1.00 0.00 H new ATOM 1555 N GLU A 101 -15.807 -4.678 -11.858 1.00 0.00 N ATOM 1556 CA GLU A 101 -14.807 -4.867 -10.813 1.00 0.00 C ATOM 1557 C GLU A 101 -13.554 -4.047 -11.105 1.00 0.00 C ATOM 1558 O GLU A 101 -13.171 -3.866 -12.261 1.00 0.00 O ATOM 1559 CB GLU A 101 -14.443 -6.348 -10.686 1.00 0.00 C ATOM 1560 CG GLU A 101 -15.638 -7.280 -10.801 1.00 0.00 C ATOM 1561 CD GLU A 101 -15.231 -8.731 -10.971 1.00 0.00 C ATOM 1562 OE1 GLU A 101 -14.121 -8.979 -11.487 1.00 0.00 O ATOM 1563 OE2 GLU A 101 -16.022 -9.618 -10.589 1.00 0.00 O ATOM 0 H GLU A 101 -15.473 -4.873 -12.802 1.00 0.00 H new ATOM 0 HA GLU A 101 -15.234 -4.523 -9.871 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.718 -6.603 -11.459 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.955 -6.513 -9.725 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.258 -7.182 -9.910 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.251 -6.976 -11.650 1.00 0.00 H new ATOM 1570 N THR A 102 -12.918 -3.552 -10.047 1.00 0.00 N ATOM 1571 CA THR A 102 -11.710 -2.750 -10.189 1.00 0.00 C ATOM 1572 C THR A 102 -10.484 -3.513 -9.700 1.00 0.00 C ATOM 1573 O THR A 102 -10.437 -3.963 -8.555 1.00 0.00 O ATOM 1574 CB THR A 102 -11.820 -1.425 -9.410 1.00 0.00 C ATOM 1575 OG1 THR A 102 -12.867 -0.619 -9.961 1.00 0.00 O ATOM 1576 CG2 THR A 102 -10.506 -0.660 -9.455 1.00 0.00 C ATOM 0 H THR A 102 -13.220 -3.693 -9.083 1.00 0.00 H new ATOM 0 HA THR A 102 -11.599 -2.530 -11.251 1.00 0.00 H new ATOM 0 HB THR A 102 -12.050 -1.658 -8.370 1.00 0.00 H new ATOM 0 HG1 THR A 102 -13.686 -1.152 -10.034 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.608 0.272 -8.898 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.717 -1.265 -9.008 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.250 -0.438 -10.491 1.00 0.00 H new ATOM 1584 N GLU A 103 -9.492 -3.653 -10.574 1.00 0.00 N ATOM 1585 CA GLU A 103 -8.266 -4.362 -10.230 1.00 0.00 C ATOM 1586 C GLU A 103 -7.217 -3.400 -9.680 1.00 0.00 C ATOM 1587 O GLU A 103 -6.599 -2.643 -10.430 1.00 0.00 O ATOM 1588 CB GLU A 103 -7.711 -5.093 -11.455 1.00 0.00 C ATOM 1589 CG GLU A 103 -6.851 -6.296 -11.109 1.00 0.00 C ATOM 1590 CD GLU A 103 -6.214 -6.929 -12.330 1.00 0.00 C ATOM 1591 OE1 GLU A 103 -6.783 -6.795 -13.434 1.00 0.00 O ATOM 1592 OE2 GLU A 103 -5.145 -7.559 -12.183 1.00 0.00 O ATOM 0 H GLU A 103 -9.514 -3.285 -11.525 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.505 -5.093 -9.457 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.542 -5.419 -12.080 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.121 -4.394 -12.048 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.069 -5.991 -10.413 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.462 -7.039 -10.596 1.00 0.00 H new ATOM 1599 N LEU A 104 -7.022 -3.434 -8.367 1.00 0.00 N ATOM 1600 CA LEU A 104 -6.048 -2.565 -7.715 1.00 0.00 C ATOM 1601 C LEU A 104 -4.662 -3.201 -7.717 1.00 0.00 C ATOM 1602 O LEU A 104 -4.404 -4.153 -6.979 1.00 0.00 O ATOM 1603 CB LEU A 104 -6.483 -2.266 -6.279 1.00 0.00 C ATOM 1604 CG LEU A 104 -5.631 -1.251 -5.517 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -5.843 0.149 -6.074 1.00 0.00 C ATOM 1606 CD2 LEU A 104 -5.955 -1.291 -4.031 1.00 0.00 C ATOM 0 H LEU A 104 -7.525 -4.054 -7.732 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.999 -1.631 -8.275 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.511 -1.904 -6.300 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.485 -3.201 -5.719 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.582 -1.516 -5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.229 0.858 -5.519 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.560 0.169 -7.126 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.893 0.424 -5.976 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.339 -0.562 -3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.008 -1.052 -3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.751 -2.288 -3.641 1.00 0.00 H new ATOM 1618 N CYS A 105 -3.774 -2.669 -8.549 1.00 0.00 N ATOM 1619 CA CYS A 105 -2.413 -3.185 -8.646 1.00 0.00 C ATOM 1620 C CYS A 105 -1.473 -2.415 -7.723 1.00 0.00 C ATOM 1621 O CYS A 105 -0.937 -1.373 -8.096 1.00 0.00 O ATOM 1622 CB CYS A 105 -1.914 -3.098 -10.089 1.00 0.00 C ATOM 1623 SG CYS A 105 -0.330 -3.922 -10.373 1.00 0.00 S ATOM 0 H CYS A 105 -3.972 -1.881 -9.166 1.00 0.00 H new ATOM 0 HA CYS A 105 -2.424 -4.230 -8.335 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.663 -3.537 -10.748 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.820 -2.048 -10.367 1.00 0.00 H new ATOM 0 HG CYS A 105 0.007 -3.795 -11.622 1.00 0.00 H new ATOM 1629 N MET A 106 -1.280 -2.937 -6.516 1.00 0.00 N ATOM 1630 CA MET A 106 -0.405 -2.299 -5.539 1.00 0.00 C ATOM 1631 C MET A 106 1.060 -2.598 -5.844 1.00 0.00 C ATOM 1632 O MET A 106 1.460 -3.758 -5.931 1.00 0.00 O ATOM 1633 CB MET A 106 -0.751 -2.772 -4.126 1.00 0.00 C ATOM 1634 CG MET A 106 -0.119 -1.929 -3.031 1.00 0.00 C ATOM 1635 SD MET A 106 1.671 -2.131 -2.944 1.00 0.00 S ATOM 1636 CE MET A 106 1.887 -2.490 -1.203 1.00 0.00 C ATOM 0 H MET A 106 -1.717 -3.799 -6.191 1.00 0.00 H new ATOM 0 HA MET A 106 -0.558 -1.222 -5.601 1.00 0.00 H new ATOM 0 HB2 MET A 106 -1.834 -2.760 -4.003 1.00 0.00 H new ATOM 0 HB3 MET A 106 -0.428 -3.806 -4.009 1.00 0.00 H new ATOM 0 HG2 MET A 106 -0.354 -0.879 -3.205 1.00 0.00 H new ATOM 0 HG3 MET A 106 -0.558 -2.199 -2.071 1.00 0.00 H new ATOM 0 HE1 MET A 106 2.747 -3.146 -1.071 1.00 0.00 H new ATOM 0 HE2 MET A 106 2.052 -1.561 -0.658 1.00 0.00 H new ATOM 0 HE3 MET A 106 0.993 -2.982 -0.819 1.00 0.00 H new ATOM 1646 N GLU A 107 1.854 -1.544 -6.005 1.00 0.00 N ATOM 1647 CA GLU A 107 3.273 -1.696 -6.300 1.00 0.00 C ATOM 1648 C GLU A 107 4.119 -0.837 -5.364 1.00 0.00 C ATOM 1649 O GLU A 107 4.294 0.360 -5.590 1.00 0.00 O ATOM 1650 CB GLU A 107 3.557 -1.315 -7.755 1.00 0.00 C ATOM 1651 CG GLU A 107 4.810 -1.964 -8.320 1.00 0.00 C ATOM 1652 CD GLU A 107 5.357 -1.223 -9.525 1.00 0.00 C ATOM 1653 OE1 GLU A 107 4.705 -1.258 -10.589 1.00 0.00 O ATOM 1654 OE2 GLU A 107 6.438 -0.609 -9.404 1.00 0.00 O ATOM 0 H GLU A 107 1.538 -0.577 -5.936 1.00 0.00 H new ATOM 0 HA GLU A 107 3.540 -2.742 -6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.702 -1.598 -8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.655 -0.232 -7.826 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.575 -2.004 -7.545 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.587 -2.993 -8.601 1.00 0.00 H new ATOM 1661 N GLY A 108 4.642 -1.459 -4.311 1.00 0.00 N ATOM 1662 CA GLY A 108 5.462 -0.737 -3.356 1.00 0.00 C ATOM 1663 C GLY A 108 6.922 -1.140 -3.425 1.00 0.00 C ATOM 1664 O GLY A 108 7.241 -2.312 -3.627 1.00 0.00 O ATOM 0 H GLY A 108 4.512 -2.449 -4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.374 0.333 -3.542 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.086 -0.917 -2.349 1.00 0.00 H new ATOM 1668 N ARG A 109 7.811 -0.167 -3.257 1.00 0.00 N ATOM 1669 CA ARG A 109 9.245 -0.425 -3.304 1.00 0.00 C ATOM 1670 C ARG A 109 9.977 0.369 -2.227 1.00 0.00 C ATOM 1671 O ARG A 109 10.038 1.597 -2.281 1.00 0.00 O ATOM 1672 CB ARG A 109 9.804 -0.070 -4.683 1.00 0.00 C ATOM 1673 CG ARG A 109 9.340 1.282 -5.199 1.00 0.00 C ATOM 1674 CD ARG A 109 7.969 1.190 -5.850 1.00 0.00 C ATOM 1675 NE ARG A 109 7.731 2.289 -6.782 1.00 0.00 N ATOM 1676 CZ ARG A 109 8.197 2.313 -8.025 1.00 0.00 C ATOM 1677 NH1 ARG A 109 8.923 1.303 -8.484 1.00 0.00 N ATOM 1678 NH2 ARG A 109 7.937 3.349 -8.813 1.00 0.00 N ATOM 0 H ARG A 109 7.563 0.808 -3.087 1.00 0.00 H new ATOM 0 HA ARG A 109 9.403 -1.487 -3.118 1.00 0.00 H new ATOM 0 HB2 ARG A 109 10.893 -0.078 -4.637 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.510 -0.841 -5.395 1.00 0.00 H new ATOM 0 HG2 ARG A 109 9.305 1.995 -4.375 1.00 0.00 H new ATOM 0 HG3 ARG A 109 10.062 1.664 -5.921 1.00 0.00 H new ATOM 0 HD2 ARG A 109 7.882 0.241 -6.379 1.00 0.00 H new ATOM 0 HD3 ARG A 109 7.200 1.197 -5.078 1.00 0.00 H new ATOM 0 HE ARG A 109 7.176 3.082 -6.460 1.00 0.00 H new ATOM 0 HH11 ARG A 109 9.125 0.505 -7.882 1.00 0.00 H new ATOM 0 HH12 ARG A 109 9.280 1.324 -9.439 1.00 0.00 H new ATOM 0 HH21 ARG A 109 7.379 4.128 -8.464 1.00 0.00 H new ATOM 0 HH22 ARG A 109 8.296 3.366 -9.768 1.00 0.00 H new ATOM 1692 N GLY A 110 10.530 -0.340 -1.248 1.00 0.00 N ATOM 1693 CA GLY A 110 11.249 0.316 -0.171 1.00 0.00 C ATOM 1694 C GLY A 110 10.889 -0.243 1.191 1.00 0.00 C ATOM 1695 O GLY A 110 11.377 0.237 2.215 1.00 0.00 O ATOM 0 H GLY A 110 10.493 -1.357 -1.181 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.321 0.206 -0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.032 1.384 -0.191 1.00 0.00 H new ATOM 1699 N ILE A 111 10.032 -1.258 1.205 1.00 0.00 N ATOM 1700 CA ILE A 111 9.607 -1.881 2.452 1.00 0.00 C ATOM 1701 C ILE A 111 10.759 -2.630 3.113 1.00 0.00 C ATOM 1702 O ILE A 111 11.330 -3.564 2.549 1.00 0.00 O ATOM 1703 CB ILE A 111 8.438 -2.858 2.223 1.00 0.00 C ATOM 1704 CG1 ILE A 111 7.128 -2.088 2.045 1.00 0.00 C ATOM 1705 CG2 ILE A 111 8.331 -3.836 3.384 1.00 0.00 C ATOM 1706 CD1 ILE A 111 6.832 -1.724 0.607 1.00 0.00 C ATOM 0 H ILE A 111 9.618 -1.666 0.367 1.00 0.00 H new ATOM 0 HA ILE A 111 9.275 -1.077 3.109 1.00 0.00 H new ATOM 0 HB ILE A 111 8.630 -3.425 1.312 1.00 0.00 H new ATOM 0 HG12 ILE A 111 6.307 -2.689 2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 111 7.168 -1.176 2.641 1.00 0.00 H new ATOM 0 HG21 ILE A 111 7.501 -4.520 3.208 1.00 0.00 H new ATOM 0 HG22 ILE A 111 9.258 -4.404 3.468 1.00 0.00 H new ATOM 0 HG23 ILE A 111 8.158 -3.285 4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 111 5.889 -1.180 0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 111 7.634 -1.097 0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 111 6.760 -2.633 0.009 1.00 0.00 H new ATOM 1718 N PRO A 112 11.109 -2.214 4.339 1.00 0.00 N ATOM 1719 CA PRO A 112 12.194 -2.833 5.106 1.00 0.00 C ATOM 1720 C PRO A 112 12.097 -4.355 5.123 1.00 0.00 C ATOM 1721 O PRO A 112 11.071 -4.916 5.506 1.00 0.00 O ATOM 1722 CB PRO A 112 12.000 -2.269 6.515 1.00 0.00 C ATOM 1723 CG PRO A 112 11.304 -0.968 6.310 1.00 0.00 C ATOM 1724 CD PRO A 112 10.472 -1.107 5.072 1.00 0.00 C ATOM 0 HA PRO A 112 13.172 -2.615 4.676 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.406 -2.943 7.133 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.955 -2.131 7.021 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.679 -0.725 7.169 1.00 0.00 H new ATOM 0 HG3 PRO A 112 12.025 -0.158 6.201 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.433 -1.333 5.312 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.471 -0.188 4.486 1.00 0.00 H new ATOM 1732 N ALA A 113 13.171 -5.017 4.706 1.00 0.00 N ATOM 1733 CA ALA A 113 13.207 -6.474 4.677 1.00 0.00 C ATOM 1734 C ALA A 113 12.750 -7.061 6.008 1.00 0.00 C ATOM 1735 O ALA A 113 11.933 -7.981 6.060 1.00 0.00 O ATOM 1736 CB ALA A 113 14.608 -6.961 4.336 1.00 0.00 C ATOM 0 H ALA A 113 14.028 -4.567 4.384 1.00 0.00 H new ATOM 0 HA ALA A 113 12.518 -6.814 3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 113 14.620 -8.051 4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 113 14.898 -6.579 3.357 1.00 0.00 H new ATOM 0 HB3 ALA A 113 15.311 -6.603 5.088 1.00 0.00 H new ATOM 1742 N PRO A 114 13.288 -6.520 7.111 1.00 0.00 N ATOM 1743 CA PRO A 114 12.950 -6.976 8.462 1.00 0.00 C ATOM 1744 C PRO A 114 11.448 -6.941 8.727 1.00 0.00 C ATOM 1745 O PRO A 114 10.914 -7.795 9.433 1.00 0.00 O ATOM 1746 CB PRO A 114 13.675 -5.976 9.366 1.00 0.00 C ATOM 1747 CG PRO A 114 14.805 -5.467 8.538 1.00 0.00 C ATOM 1748 CD PRO A 114 14.268 -5.421 7.123 1.00 0.00 C ATOM 0 HA PRO A 114 13.244 -8.012 8.627 1.00 0.00 H new ATOM 0 HB2 PRO A 114 13.012 -5.166 9.672 1.00 0.00 H new ATOM 0 HB3 PRO A 114 14.036 -6.455 10.277 1.00 0.00 H new ATOM 0 HG2 PRO A 114 15.124 -4.479 8.871 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.673 -6.123 8.609 1.00 0.00 H new ATOM 0 HD2 PRO A 114 13.803 -4.461 6.898 1.00 0.00 H new ATOM 0 HD3 PRO A 114 15.056 -5.574 6.386 1.00 0.00 H new ATOM 1756 N GLU A 115 10.774 -5.948 8.155 1.00 0.00 N ATOM 1757 CA GLU A 115 9.334 -5.803 8.331 1.00 0.00 C ATOM 1758 C GLU A 115 8.594 -6.113 7.033 1.00 0.00 C ATOM 1759 O GLU A 115 7.436 -5.733 6.861 1.00 0.00 O ATOM 1760 CB GLU A 115 8.994 -4.386 8.798 1.00 0.00 C ATOM 1761 CG GLU A 115 9.755 -3.957 10.042 1.00 0.00 C ATOM 1762 CD GLU A 115 9.049 -4.354 11.324 1.00 0.00 C ATOM 1763 OE1 GLU A 115 8.090 -3.655 11.713 1.00 0.00 O ATOM 1764 OE2 GLU A 115 9.456 -5.362 11.938 1.00 0.00 O ATOM 0 H GLU A 115 11.202 -5.233 7.567 1.00 0.00 H new ATOM 0 HA GLU A 115 9.014 -6.515 9.092 1.00 0.00 H new ATOM 0 HB2 GLU A 115 9.208 -3.685 7.991 1.00 0.00 H new ATOM 0 HB3 GLU A 115 7.924 -4.325 8.997 1.00 0.00 H new ATOM 0 HG2 GLU A 115 10.750 -4.403 10.027 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.890 -2.875 10.026 1.00 0.00 H new ATOM 1771 N GLU A 116 9.271 -6.806 6.123 1.00 0.00 N ATOM 1772 CA GLU A 116 8.678 -7.166 4.841 1.00 0.00 C ATOM 1773 C GLU A 116 7.433 -8.026 5.039 1.00 0.00 C ATOM 1774 O GLU A 116 6.387 -7.766 4.446 1.00 0.00 O ATOM 1775 CB GLU A 116 9.695 -7.913 3.975 1.00 0.00 C ATOM 1776 CG GLU A 116 9.123 -8.414 2.659 1.00 0.00 C ATOM 1777 CD GLU A 116 10.195 -8.912 1.710 1.00 0.00 C ATOM 1778 OE1 GLU A 116 11.322 -9.180 2.174 1.00 0.00 O ATOM 1779 OE2 GLU A 116 9.906 -9.035 0.501 1.00 0.00 O ATOM 0 H GLU A 116 10.230 -7.129 6.250 1.00 0.00 H new ATOM 0 HA GLU A 116 8.386 -6.246 4.334 1.00 0.00 H new ATOM 0 HB2 GLU A 116 10.537 -7.253 3.767 1.00 0.00 H new ATOM 0 HB3 GLU A 116 10.086 -8.761 4.538 1.00 0.00 H new ATOM 0 HG2 GLU A 116 8.416 -9.219 2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 116 8.564 -7.610 2.180 1.00 0.00 H new ATOM 1786 N GLU A 117 7.557 -9.051 5.876 1.00 0.00 N ATOM 1787 CA GLU A 117 6.442 -9.950 6.151 1.00 0.00 C ATOM 1788 C GLU A 117 5.332 -9.226 6.907 1.00 0.00 C ATOM 1789 O GLU A 117 4.212 -9.098 6.413 1.00 0.00 O ATOM 1790 CB GLU A 117 6.920 -11.158 6.960 1.00 0.00 C ATOM 1791 CG GLU A 117 5.848 -12.215 7.166 1.00 0.00 C ATOM 1792 CD GLU A 117 5.526 -12.975 5.894 1.00 0.00 C ATOM 1793 OE1 GLU A 117 6.182 -14.006 5.637 1.00 0.00 O ATOM 1794 OE2 GLU A 117 4.618 -12.539 5.156 1.00 0.00 O ATOM 0 H GLU A 117 8.417 -9.279 6.375 1.00 0.00 H new ATOM 0 HA GLU A 117 6.043 -10.294 5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 117 7.772 -11.611 6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 117 7.273 -10.816 7.933 1.00 0.00 H new ATOM 0 HG2 GLU A 117 6.178 -12.918 7.931 1.00 0.00 H new ATOM 0 HG3 GLU A 117 4.941 -11.740 7.540 1.00 0.00 H new ATOM 1801 N ARG A 118 5.652 -8.753 8.107 1.00 0.00 N ATOM 1802 CA ARG A 118 4.682 -8.043 8.932 1.00 0.00 C ATOM 1803 C ARG A 118 3.826 -7.109 8.082 1.00 0.00 C ATOM 1804 O ARG A 118 2.596 -7.157 8.134 1.00 0.00 O ATOM 1805 CB ARG A 118 5.397 -7.245 10.024 1.00 0.00 C ATOM 1806 CG ARG A 118 4.461 -6.401 10.873 1.00 0.00 C ATOM 1807 CD ARG A 118 5.174 -5.187 11.449 1.00 0.00 C ATOM 1808 NE ARG A 118 4.266 -4.326 12.203 1.00 0.00 N ATOM 1809 CZ ARG A 118 4.672 -3.448 13.113 1.00 0.00 C ATOM 1810 NH1 ARG A 118 5.964 -3.315 13.381 1.00 0.00 N ATOM 1811 NH2 ARG A 118 3.785 -2.700 13.757 1.00 0.00 N ATOM 0 H ARG A 118 6.575 -8.849 8.530 1.00 0.00 H new ATOM 0 HA ARG A 118 4.030 -8.781 9.399 1.00 0.00 H new ATOM 0 HB2 ARG A 118 5.938 -7.935 10.671 1.00 0.00 H new ATOM 0 HB3 ARG A 118 6.139 -6.595 9.560 1.00 0.00 H new ATOM 0 HG2 ARG A 118 3.615 -6.075 10.269 1.00 0.00 H new ATOM 0 HG3 ARG A 118 4.058 -7.007 11.685 1.00 0.00 H new ATOM 0 HD2 ARG A 118 5.984 -5.517 12.099 1.00 0.00 H new ATOM 0 HD3 ARG A 118 5.628 -4.615 10.640 1.00 0.00 H new ATOM 0 HE ARG A 118 3.265 -4.403 12.021 1.00 0.00 H new ATOM 0 HH11 ARG A 118 6.649 -3.888 12.888 1.00 0.00 H new ATOM 0 HH12 ARG A 118 6.273 -2.640 14.080 1.00 0.00 H new ATOM 0 HH21 ARG A 118 2.790 -2.799 13.553 1.00 0.00 H new ATOM 0 HH22 ARG A 118 4.098 -2.026 14.456 1.00 0.00 H new ATOM 1825 N THR A 119 4.484 -6.260 7.299 1.00 0.00 N ATOM 1826 CA THR A 119 3.783 -5.314 6.440 1.00 0.00 C ATOM 1827 C THR A 119 2.770 -6.025 5.551 1.00 0.00 C ATOM 1828 O THR A 119 1.561 -5.877 5.731 1.00 0.00 O ATOM 1829 CB THR A 119 4.766 -4.528 5.551 1.00 0.00 C ATOM 1830 OG1 THR A 119 5.736 -3.860 6.366 1.00 0.00 O ATOM 1831 CG2 THR A 119 4.027 -3.510 4.696 1.00 0.00 C ATOM 0 H THR A 119 5.501 -6.208 7.242 1.00 0.00 H new ATOM 0 HA THR A 119 3.261 -4.618 7.096 1.00 0.00 H new ATOM 0 HB THR A 119 5.270 -5.234 4.892 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.442 -4.491 6.618 1.00 0.00 H new ATOM 0 HG21 THR A 119 4.742 -2.967 4.077 1.00 0.00 H new ATOM 0 HG22 THR A 119 3.310 -4.024 4.056 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.499 -2.808 5.341 1.00 0.00 H new ATOM 1839 N ARG A 120 3.270 -6.797 4.592 1.00 0.00 N ATOM 1840 CA ARG A 120 2.407 -7.531 3.674 1.00 0.00 C ATOM 1841 C ARG A 120 1.342 -8.314 4.438 1.00 0.00 C ATOM 1842 O ARG A 120 0.318 -8.698 3.875 1.00 0.00 O ATOM 1843 CB ARG A 120 3.236 -8.485 2.812 1.00 0.00 C ATOM 1844 CG ARG A 120 2.624 -8.762 1.449 1.00 0.00 C ATOM 1845 CD ARG A 120 3.280 -9.959 0.777 1.00 0.00 C ATOM 1846 NE ARG A 120 3.271 -9.842 -0.678 1.00 0.00 N ATOM 1847 CZ ARG A 120 3.952 -10.648 -1.484 1.00 0.00 C ATOM 1848 NH1 ARG A 120 4.692 -11.625 -0.979 1.00 0.00 N ATOM 1849 NH2 ARG A 120 3.894 -10.478 -2.799 1.00 0.00 N ATOM 0 H ARG A 120 4.268 -6.931 4.430 1.00 0.00 H new ATOM 0 HA ARG A 120 1.909 -6.808 3.027 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.232 -8.064 2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 120 3.359 -9.428 3.344 1.00 0.00 H new ATOM 0 HG2 ARG A 120 1.555 -8.946 1.559 1.00 0.00 H new ATOM 0 HG3 ARG A 120 2.732 -7.882 0.815 1.00 0.00 H new ATOM 0 HD2 ARG A 120 4.308 -10.053 1.127 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.759 -10.870 1.071 1.00 0.00 H new ATOM 0 HE ARG A 120 2.711 -9.100 -1.099 1.00 0.00 H new ATOM 0 HH11 ARG A 120 4.739 -11.759 0.031 1.00 0.00 H new ATOM 0 HH12 ARG A 120 5.214 -12.243 -1.600 1.00 0.00 H new ATOM 0 HH21 ARG A 120 3.326 -9.727 -3.192 1.00 0.00 H new ATOM 0 HH22 ARG A 120 4.418 -11.098 -3.417 1.00 0.00 H new ATOM 1863 N GLN A 121 1.595 -8.548 5.722 1.00 0.00 N ATOM 1864 CA GLN A 121 0.659 -9.287 6.561 1.00 0.00 C ATOM 1865 C GLN A 121 -0.401 -8.357 7.143 1.00 0.00 C ATOM 1866 O GLN A 121 -1.558 -8.743 7.307 1.00 0.00 O ATOM 1867 CB GLN A 121 1.406 -9.998 7.691 1.00 0.00 C ATOM 1868 CG GLN A 121 2.279 -11.147 7.214 1.00 0.00 C ATOM 1869 CD GLN A 121 1.474 -12.377 6.844 1.00 0.00 C ATOM 1870 OE1 GLN A 121 0.250 -12.318 6.718 1.00 0.00 O ATOM 1871 NE2 GLN A 121 2.157 -13.502 6.668 1.00 0.00 N ATOM 0 H GLN A 121 2.439 -8.237 6.203 1.00 0.00 H new ATOM 0 HA GLN A 121 0.162 -10.031 5.939 1.00 0.00 H new ATOM 0 HB2 GLN A 121 2.028 -9.273 8.216 1.00 0.00 H new ATOM 0 HB3 GLN A 121 0.682 -10.378 8.412 1.00 0.00 H new ATOM 0 HG2 GLN A 121 2.859 -10.823 6.350 1.00 0.00 H new ATOM 0 HG3 GLN A 121 2.992 -11.406 7.997 1.00 0.00 H new ATOM 0 HE21 GLN A 121 3.171 -13.506 6.782 1.00 0.00 H new ATOM 0 HE22 GLN A 121 1.668 -14.362 6.418 1.00 0.00 H new ATOM 1880 N GLY A 122 0.002 -7.128 7.454 1.00 0.00 N ATOM 1881 CA GLY A 122 -0.925 -6.163 8.014 1.00 0.00 C ATOM 1882 C GLY A 122 -1.229 -5.028 7.057 1.00 0.00 C ATOM 1883 O GLY A 122 -1.639 -3.946 7.477 1.00 0.00 O ATOM 0 H GLY A 122 0.954 -6.784 7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -1.853 -6.668 8.280 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.508 -5.756 8.935 1.00 0.00 H new ATOM 1887 N TRP A 123 -1.028 -5.274 5.767 1.00 0.00 N ATOM 1888 CA TRP A 123 -1.282 -4.262 4.748 1.00 0.00 C ATOM 1889 C TRP A 123 -2.676 -4.426 4.154 1.00 0.00 C ATOM 1890 O TRP A 123 -3.546 -3.577 4.348 1.00 0.00 O ATOM 1891 CB TRP A 123 -0.230 -4.349 3.641 1.00 0.00 C ATOM 1892 CG TRP A 123 0.083 -3.024 3.013 1.00 0.00 C ATOM 1893 CD1 TRP A 123 0.993 -2.104 3.450 1.00 0.00 C ATOM 1894 CD2 TRP A 123 -0.517 -2.470 1.837 1.00 0.00 C ATOM 1895 NE1 TRP A 123 0.996 -1.012 2.616 1.00 0.00 N ATOM 1896 CE2 TRP A 123 0.079 -1.213 1.618 1.00 0.00 C ATOM 1897 CE3 TRP A 123 -1.498 -2.915 0.947 1.00 0.00 C ATOM 1898 CZ2 TRP A 123 -0.276 -0.398 0.547 1.00 0.00 C ATOM 1899 CZ3 TRP A 123 -1.849 -2.105 -0.116 1.00 0.00 C ATOM 1900 CH2 TRP A 123 -1.239 -0.858 -0.309 1.00 0.00 C ATOM 0 H TRP A 123 -0.690 -6.165 5.402 1.00 0.00 H new ATOM 0 HA TRP A 123 -1.222 -3.282 5.221 1.00 0.00 H new ATOM 0 HB2 TRP A 123 0.686 -4.773 4.053 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -0.580 -5.035 2.870 1.00 0.00 H new ATOM 0 HD1 TRP A 123 1.618 -2.218 4.323 1.00 0.00 H new ATOM 0 HE1 TRP A 123 1.585 -0.186 2.723 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -1.973 -3.875 1.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 0.192 0.564 0.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -2.606 -2.438 -0.810 1.00 0.00 H new ATOM 0 HH2 TRP A 123 -1.535 -0.248 -1.150 1.00 0.00 H new ATOM 1911 N GLN A 124 -2.882 -5.523 3.432 1.00 0.00 N ATOM 1912 CA GLN A 124 -4.173 -5.796 2.810 1.00 0.00 C ATOM 1913 C GLN A 124 -5.241 -6.057 3.866 1.00 0.00 C ATOM 1914 O GLN A 124 -6.419 -5.765 3.657 1.00 0.00 O ATOM 1915 CB GLN A 124 -4.065 -6.997 1.869 1.00 0.00 C ATOM 1916 CG GLN A 124 -3.189 -6.741 0.653 1.00 0.00 C ATOM 1917 CD GLN A 124 -2.370 -7.954 0.258 1.00 0.00 C ATOM 1918 OE1 GLN A 124 -2.636 -8.592 -0.761 1.00 0.00 O ATOM 1919 NE2 GLN A 124 -1.366 -8.278 1.064 1.00 0.00 N ATOM 0 H GLN A 124 -2.173 -6.236 3.263 1.00 0.00 H new ATOM 0 HA GLN A 124 -4.464 -4.917 2.234 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -3.665 -7.847 2.422 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.064 -7.277 1.534 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -3.817 -6.443 -0.186 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -2.519 -5.907 0.862 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -1.182 -7.721 1.898 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -0.779 -9.084 0.849 1.00 0.00 H new ATOM 1928 N ARG A 125 -4.823 -6.608 5.001 1.00 0.00 N ATOM 1929 CA ARG A 125 -5.745 -6.910 6.089 1.00 0.00 C ATOM 1930 C ARG A 125 -6.666 -5.724 6.366 1.00 0.00 C ATOM 1931 O ARG A 125 -7.810 -5.899 6.785 1.00 0.00 O ATOM 1932 CB ARG A 125 -4.970 -7.274 7.356 1.00 0.00 C ATOM 1933 CG ARG A 125 -4.674 -8.759 7.484 1.00 0.00 C ATOM 1934 CD ARG A 125 -4.588 -9.187 8.940 1.00 0.00 C ATOM 1935 NE ARG A 125 -5.887 -9.591 9.470 1.00 0.00 N ATOM 1936 CZ ARG A 125 -6.176 -9.619 10.767 1.00 0.00 C ATOM 1937 NH1 ARG A 125 -5.262 -9.266 11.660 1.00 0.00 N ATOM 1938 NH2 ARG A 125 -7.381 -9.998 11.171 1.00 0.00 N ATOM 0 H ARG A 125 -3.852 -6.854 5.191 1.00 0.00 H new ATOM 0 HA ARG A 125 -6.357 -7.761 5.788 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -4.030 -6.723 7.368 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -5.540 -6.950 8.226 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -5.454 -9.331 6.981 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.735 -8.989 6.980 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -3.885 -10.015 9.033 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -4.193 -8.365 9.537 1.00 0.00 H new ATOM 0 HE ARG A 125 -6.613 -9.867 8.808 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -4.335 -8.972 11.352 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -5.486 -9.288 12.655 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -8.087 -10.268 10.486 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -7.602 -10.019 12.167 1.00 0.00 H new ATOM 1952 N TYR A 126 -6.158 -4.520 6.129 1.00 0.00 N ATOM 1953 CA TYR A 126 -6.933 -3.306 6.355 1.00 0.00 C ATOM 1954 C TYR A 126 -7.222 -2.591 5.039 1.00 0.00 C ATOM 1955 O TYR A 126 -8.294 -2.014 4.855 1.00 0.00 O ATOM 1956 CB TYR A 126 -6.186 -2.368 7.304 1.00 0.00 C ATOM 1957 CG TYR A 126 -5.388 -3.091 8.366 1.00 0.00 C ATOM 1958 CD1 TYR A 126 -5.910 -4.201 9.019 1.00 0.00 C ATOM 1959 CD2 TYR A 126 -4.113 -2.665 8.716 1.00 0.00 C ATOM 1960 CE1 TYR A 126 -5.185 -4.864 9.991 1.00 0.00 C ATOM 1961 CE2 TYR A 126 -3.380 -3.323 9.685 1.00 0.00 C ATOM 1962 CZ TYR A 126 -3.921 -4.421 10.320 1.00 0.00 C ATOM 1963 OH TYR A 126 -3.195 -5.080 11.286 1.00 0.00 O ATOM 0 H TYR A 126 -5.213 -4.359 5.781 1.00 0.00 H new ATOM 0 HA TYR A 126 -7.882 -3.591 6.809 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -5.514 -1.737 6.723 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -6.905 -1.707 7.788 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -6.899 -4.551 8.763 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.687 -1.804 8.222 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -5.606 -5.724 10.490 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -2.389 -2.979 9.944 1.00 0.00 H new ATOM 0 HH TYR A 126 -2.325 -4.642 11.397 1.00 0.00 H new ATOM 1973 N TYR A 127 -6.258 -2.634 4.126 1.00 0.00 N ATOM 1974 CA TYR A 127 -6.407 -1.989 2.827 1.00 0.00 C ATOM 1975 C TYR A 127 -7.570 -2.595 2.048 1.00 0.00 C ATOM 1976 O TYR A 127 -8.578 -1.932 1.799 1.00 0.00 O ATOM 1977 CB TYR A 127 -5.115 -2.119 2.018 1.00 0.00 C ATOM 1978 CG TYR A 127 -4.264 -0.869 2.031 1.00 0.00 C ATOM 1979 CD1 TYR A 127 -3.949 -0.232 3.225 1.00 0.00 C ATOM 1980 CD2 TYR A 127 -3.774 -0.327 0.850 1.00 0.00 C ATOM 1981 CE1 TYR A 127 -3.172 0.911 3.241 1.00 0.00 C ATOM 1982 CE2 TYR A 127 -2.995 0.814 0.856 1.00 0.00 C ATOM 1983 CZ TYR A 127 -2.698 1.430 2.055 1.00 0.00 C ATOM 1984 OH TYR A 127 -1.923 2.567 2.066 1.00 0.00 O ATOM 0 H TYR A 127 -5.365 -3.109 4.261 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.617 -0.933 2.997 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -4.531 -2.950 2.413 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -5.365 -2.367 0.987 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -4.317 -0.637 4.156 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -4.006 -0.806 -0.090 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -2.937 1.395 4.178 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -2.621 1.221 -0.072 1.00 0.00 H new ATOM 0 HH TYR A 127 -1.200 2.464 2.719 1.00 0.00 H new ATOM 1994 N PHE A 128 -7.424 -3.859 1.666 1.00 0.00 N ATOM 1995 CA PHE A 128 -8.461 -4.556 0.915 1.00 0.00 C ATOM 1996 C PHE A 128 -9.388 -5.325 1.852 1.00 0.00 C ATOM 1997 O PHE A 128 -10.569 -5.004 1.974 1.00 0.00 O ATOM 1998 CB PHE A 128 -7.831 -5.515 -0.097 1.00 0.00 C ATOM 1999 CG PHE A 128 -6.619 -4.952 -0.783 1.00 0.00 C ATOM 2000 CD1 PHE A 128 -6.397 -3.584 -0.812 1.00 0.00 C ATOM 2001 CD2 PHE A 128 -5.703 -5.789 -1.399 1.00 0.00 C ATOM 2002 CE1 PHE A 128 -5.283 -3.062 -1.443 1.00 0.00 C ATOM 2003 CE2 PHE A 128 -4.587 -5.273 -2.031 1.00 0.00 C ATOM 2004 CZ PHE A 128 -4.377 -3.908 -2.053 1.00 0.00 C ATOM 0 H PHE A 128 -6.597 -4.422 1.864 1.00 0.00 H new ATOM 0 HA PHE A 128 -9.050 -3.811 0.381 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -7.554 -6.438 0.413 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.575 -5.777 -0.849 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -7.102 -2.918 -0.336 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -5.863 -6.857 -1.385 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -5.121 -1.994 -1.459 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -3.880 -5.936 -2.507 1.00 0.00 H new ATOM 0 HZ PHE A 128 -3.506 -3.503 -2.546 1.00 0.00 H new ATOM 2014 N GLU A 129 -8.842 -6.342 2.511 1.00 0.00 N ATOM 2015 CA GLU A 129 -9.620 -7.157 3.437 1.00 0.00 C ATOM 2016 C GLU A 129 -10.678 -6.317 4.145 1.00 0.00 C ATOM 2017 O GLU A 129 -11.773 -6.795 4.438 1.00 0.00 O ATOM 2018 CB GLU A 129 -8.701 -7.815 4.468 1.00 0.00 C ATOM 2019 CG GLU A 129 -8.096 -9.126 3.996 1.00 0.00 C ATOM 2020 CD GLU A 129 -7.482 -9.927 5.128 1.00 0.00 C ATOM 2021 OE1 GLU A 129 -8.057 -9.922 6.237 1.00 0.00 O ATOM 2022 OE2 GLU A 129 -6.429 -10.559 4.906 1.00 0.00 O ATOM 0 H GLU A 129 -7.865 -6.621 2.421 1.00 0.00 H new ATOM 0 HA GLU A 129 -10.124 -7.934 2.862 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -7.897 -7.123 4.719 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -9.265 -7.994 5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -8.867 -9.723 3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -7.332 -8.920 3.246 1.00 0.00 H new ATOM 2029 N GLY A 130 -10.342 -5.059 4.418 1.00 0.00 N ATOM 2030 CA GLY A 130 -11.273 -4.172 5.090 1.00 0.00 C ATOM 2031 C GLY A 130 -12.371 -3.679 4.169 1.00 0.00 C ATOM 2032 O GLY A 130 -13.536 -4.046 4.329 1.00 0.00 O ATOM 0 H GLY A 130 -9.442 -4.639 4.186 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -11.720 -4.693 5.937 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -10.730 -3.317 5.493 1.00 0.00 H new ATOM 2036 N ILE A 131 -12.002 -2.843 3.204 1.00 0.00 N ATOM 2037 CA ILE A 131 -12.965 -2.299 2.256 1.00 0.00 C ATOM 2038 C ILE A 131 -13.853 -3.398 1.682 1.00 0.00 C ATOM 2039 O ILE A 131 -15.067 -3.230 1.559 1.00 0.00 O ATOM 2040 CB ILE A 131 -12.262 -1.565 1.098 1.00 0.00 C ATOM 2041 CG1 ILE A 131 -11.411 -0.414 1.637 1.00 0.00 C ATOM 2042 CG2 ILE A 131 -13.286 -1.051 0.097 1.00 0.00 C ATOM 2043 CD1 ILE A 131 -10.366 0.075 0.658 1.00 0.00 C ATOM 0 H ILE A 131 -11.043 -2.528 3.059 1.00 0.00 H new ATOM 0 HA ILE A 131 -13.581 -1.588 2.806 1.00 0.00 H new ATOM 0 HB ILE A 131 -11.605 -2.269 0.587 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -12.065 0.417 1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -10.916 -0.737 2.553 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -12.774 -0.535 -0.715 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -13.853 -1.890 -0.307 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -13.966 -0.360 0.595 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -9.800 0.891 1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -9.689 -0.742 0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -10.855 0.429 -0.250 1.00 0.00 H new ATOM 2055 N LYS A 132 -13.240 -4.524 1.333 1.00 0.00 N ATOM 2056 CA LYS A 132 -13.974 -5.653 0.775 1.00 0.00 C ATOM 2057 C LYS A 132 -15.143 -6.041 1.675 1.00 0.00 C ATOM 2058 O LYS A 132 -16.153 -6.564 1.204 1.00 0.00 O ATOM 2059 CB LYS A 132 -13.041 -6.852 0.589 1.00 0.00 C ATOM 2060 CG LYS A 132 -12.237 -6.803 -0.699 1.00 0.00 C ATOM 2061 CD LYS A 132 -11.089 -7.798 -0.678 1.00 0.00 C ATOM 2062 CE LYS A 132 -10.770 -8.310 -2.074 1.00 0.00 C ATOM 2063 NZ LYS A 132 -11.529 -9.549 -2.397 1.00 0.00 N ATOM 0 H LYS A 132 -12.236 -4.679 1.427 1.00 0.00 H new ATOM 0 HA LYS A 132 -14.369 -5.353 -0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -12.355 -6.902 1.434 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -13.632 -7.768 0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -12.890 -7.017 -1.545 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -11.845 -5.797 -0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -10.204 -7.325 -0.252 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -11.345 -8.637 -0.031 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -11.006 -7.538 -2.807 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -9.701 -8.508 -2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -10.864 -10.334 -2.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -12.166 -9.781 -1.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -12.088 -9.398 -3.261 1.00 0.00 H new ATOM 2077 N GLN A 133 -14.999 -5.779 2.970 1.00 0.00 N ATOM 2078 CA GLN A 133 -16.045 -6.101 3.934 1.00 0.00 C ATOM 2079 C GLN A 133 -16.889 -4.871 4.252 1.00 0.00 C ATOM 2080 O GLN A 133 -18.111 -4.886 4.098 1.00 0.00 O ATOM 2081 CB GLN A 133 -15.429 -6.657 5.219 1.00 0.00 C ATOM 2082 CG GLN A 133 -14.431 -7.778 4.980 1.00 0.00 C ATOM 2083 CD GLN A 133 -15.079 -9.149 4.994 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -15.858 -9.470 5.892 1.00 0.00 O ATOM 2085 NE2 GLN A 133 -14.760 -9.965 3.997 1.00 0.00 N ATOM 0 H GLN A 133 -14.170 -5.345 3.376 1.00 0.00 H new ATOM 0 HA GLN A 133 -16.692 -6.859 3.492 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -14.932 -5.847 5.754 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -16.227 -7.024 5.865 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -13.939 -7.623 4.020 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -13.656 -7.739 5.745 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -14.110 -9.657 3.274 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -15.165 -10.900 3.954 1.00 0.00 H new ATOM 2094 N THR A 134 -16.230 -3.805 4.696 1.00 0.00 N ATOM 2095 CA THR A 134 -16.920 -2.567 5.036 1.00 0.00 C ATOM 2096 C THR A 134 -17.783 -2.082 3.877 1.00 0.00 C ATOM 2097 O THR A 134 -18.991 -1.895 4.026 1.00 0.00 O ATOM 2098 CB THR A 134 -15.924 -1.456 5.420 1.00 0.00 C ATOM 2099 OG1 THR A 134 -15.148 -1.864 6.552 1.00 0.00 O ATOM 2100 CG2 THR A 134 -16.654 -0.161 5.739 1.00 0.00 C ATOM 0 H THR A 134 -15.219 -3.774 4.828 1.00 0.00 H new ATOM 0 HA THR A 134 -17.557 -2.786 5.893 1.00 0.00 H new ATOM 0 HB THR A 134 -15.263 -1.282 4.571 1.00 0.00 H new ATOM 0 HG1 THR A 134 -15.450 -1.379 7.348 1.00 0.00 H new ATOM 0 HG21 THR A 134 -15.930 0.608 6.007 1.00 0.00 H new ATOM 0 HG22 THR A 134 -17.220 0.162 4.865 1.00 0.00 H new ATOM 0 HG23 THR A 134 -17.336 -0.324 6.573 1.00 0.00 H new ATOM 2108 N PHE A 135 -17.156 -1.880 2.723 1.00 0.00 N ATOM 2109 CA PHE A 135 -17.868 -1.416 1.538 1.00 0.00 C ATOM 2110 C PHE A 135 -18.513 -2.585 0.798 1.00 0.00 C ATOM 2111 O PHE A 135 -19.465 -2.404 0.040 1.00 0.00 O ATOM 2112 CB PHE A 135 -16.913 -0.671 0.603 1.00 0.00 C ATOM 2113 CG PHE A 135 -16.388 0.612 1.180 1.00 0.00 C ATOM 2114 CD1 PHE A 135 -15.624 0.605 2.336 1.00 0.00 C ATOM 2115 CD2 PHE A 135 -16.658 1.825 0.567 1.00 0.00 C ATOM 2116 CE1 PHE A 135 -15.140 1.784 2.870 1.00 0.00 C ATOM 2117 CE2 PHE A 135 -16.177 3.007 1.096 1.00 0.00 C ATOM 2118 CZ PHE A 135 -15.415 2.987 2.249 1.00 0.00 C ATOM 0 H PHE A 135 -16.157 -2.030 2.583 1.00 0.00 H new ATOM 0 HA PHE A 135 -18.655 -0.735 1.861 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -16.073 -1.322 0.361 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -17.428 -0.455 -0.333 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -15.404 -0.332 2.825 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -17.252 1.847 -0.335 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -14.547 1.765 3.772 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -16.396 3.946 0.609 1.00 0.00 H new ATOM 0 HZ PHE A 135 -15.036 3.909 2.663 1.00 0.00 H new ATOM 2128 N GLY A 136 -17.987 -3.784 1.026 1.00 0.00 N ATOM 2129 CA GLY A 136 -18.523 -4.965 0.374 1.00 0.00 C ATOM 2130 C GLY A 136 -17.992 -5.141 -1.035 1.00 0.00 C ATOM 2131 O GLY A 136 -18.702 -5.623 -1.918 1.00 0.00 O ATOM 0 H GLY A 136 -17.200 -3.959 1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -18.275 -5.847 0.965 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -19.610 -4.897 0.343 1.00 0.00 H new ATOM 2135 N TYR A 137 -16.740 -4.750 -1.246 1.00 0.00 N ATOM 2136 CA TYR A 137 -16.116 -4.863 -2.559 1.00 0.00 C ATOM 2137 C TYR A 137 -15.301 -6.148 -2.666 1.00 0.00 C ATOM 2138 O TYR A 137 -14.335 -6.224 -3.424 1.00 0.00 O ATOM 2139 CB TYR A 137 -15.219 -3.653 -2.826 1.00 0.00 C ATOM 2140 CG TYR A 137 -15.956 -2.334 -2.792 1.00 0.00 C ATOM 2141 CD1 TYR A 137 -17.340 -2.286 -2.899 1.00 0.00 C ATOM 2142 CD2 TYR A 137 -15.268 -1.135 -2.653 1.00 0.00 C ATOM 2143 CE1 TYR A 137 -18.018 -1.082 -2.868 1.00 0.00 C ATOM 2144 CE2 TYR A 137 -15.937 0.073 -2.620 1.00 0.00 C ATOM 2145 CZ TYR A 137 -17.312 0.094 -2.728 1.00 0.00 C ATOM 2146 OH TYR A 137 -17.983 1.296 -2.697 1.00 0.00 O ATOM 0 H TYR A 137 -16.138 -4.352 -0.525 1.00 0.00 H new ATOM 0 HA TYR A 137 -16.907 -4.893 -3.308 1.00 0.00 H new ATOM 0 HB2 TYR A 137 -14.420 -3.633 -2.084 1.00 0.00 H new ATOM 0 HB3 TYR A 137 -14.746 -3.770 -3.801 1.00 0.00 H new ATOM 0 HD1 TYR A 137 -17.896 -3.205 -3.008 1.00 0.00 H new ATOM 0 HD2 TYR A 137 -14.191 -1.148 -2.569 1.00 0.00 H new ATOM 0 HE1 TYR A 137 -19.094 -1.062 -2.953 1.00 0.00 H new ATOM 0 HE2 TYR A 137 -15.387 0.996 -2.510 1.00 0.00 H new ATOM 0 HH TYR A 137 -17.339 2.027 -2.592 1.00 0.00 H new ATOM 2156 N GLY A 138 -15.699 -7.159 -1.899 1.00 0.00 N ATOM 2157 CA GLY A 138 -14.996 -8.429 -1.921 1.00 0.00 C ATOM 2158 C GLY A 138 -15.823 -9.539 -2.537 1.00 0.00 C ATOM 2159 O GLY A 138 -17.052 -9.472 -2.551 1.00 0.00 O ATOM 0 H GLY A 138 -16.496 -7.121 -1.263 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -14.068 -8.317 -2.482 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -14.722 -8.707 -0.903 1.00 0.00 H new ATOM 2163 N ALA A 139 -15.149 -10.562 -3.051 1.00 0.00 N ATOM 2164 CA ALA A 139 -15.830 -11.692 -3.671 1.00 0.00 C ATOM 2165 C ALA A 139 -15.623 -12.969 -2.864 1.00 0.00 C ATOM 2166 O ALA A 139 -16.571 -13.710 -2.604 1.00 0.00 O ATOM 2167 CB ALA A 139 -15.341 -11.883 -5.099 1.00 0.00 C ATOM 0 H ALA A 139 -14.131 -10.632 -3.050 1.00 0.00 H new ATOM 0 HA ALA A 139 -16.898 -11.475 -3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -15.858 -12.730 -5.550 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -15.547 -10.982 -5.678 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.268 -12.074 -5.094 1.00 0.00 H new