USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 733 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 11 CYS SG : rot 148:sc= -0.55! USER MOD Set 1.2: A 14 CYS SG : rot -58:sc= -2.6! USER MOD Set 1.3: A 54 CYS SG : rot -162:sc= 2.73 USER MOD Set 1.4: A 57 CYS SG : rot 21:sc= -2.74! USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -140:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 162:sc= -0.0357 (180deg=-0.682) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -1.63! K(o=-1.6!,f=-0.08) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0365 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -1.62! C(o=-1.6!,f=-2.1!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.921) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 8 1.760 0.825 -0.709 1.00 1.00 N ATOM 2 CA MET A 8 2.475 0.498 -1.974 1.00 1.00 C ATOM 3 C MET A 8 2.659 -1.008 -2.138 1.00 1.00 C ATOM 4 O MET A 8 2.978 -1.708 -1.156 1.00 1.00 O ATOM 5 CB MET A 8 3.847 1.190 -2.020 1.00 1.00 C ATOM 6 CG MET A 8 3.799 2.642 -2.492 1.00 1.00 C ATOM 7 SD MET A 8 5.423 3.431 -2.511 1.00 1.00 S ATOM 8 CE MET A 8 5.494 4.144 -0.868 1.00 1.00 C ATOM 0 HA MET A 8 1.860 0.864 -2.796 1.00 1.00 H new ATOM 0 HB2 MET A 8 4.292 1.157 -1.025 1.00 1.00 H new ATOM 0 HB3 MET A 8 4.504 0.626 -2.682 1.00 1.00 H new ATOM 0 HG2 MET A 8 3.371 2.679 -3.494 1.00 1.00 H new ATOM 0 HG3 MET A 8 3.133 3.208 -1.841 1.00 1.00 H new ATOM 0 HE1 MET A 8 6.443 4.664 -0.738 1.00 1.00 H new ATOM 0 HE2 MET A 8 4.673 4.850 -0.742 1.00 1.00 H new ATOM 0 HE3 MET A 8 5.409 3.352 -0.124 1.00 1.00 H new ATOM 18 N ALA A 9 2.447 -1.472 -3.395 1.00 1.00 N ATOM 19 CA ALA A 9 2.578 -2.888 -3.791 1.00 1.00 C ATOM 20 C ALA A 9 3.854 -3.111 -4.603 1.00 1.00 C ATOM 21 O ALA A 9 4.187 -2.287 -5.470 1.00 1.00 O ATOM 22 CB ALA A 9 1.348 -3.337 -4.578 1.00 1.00 C ATOM 0 H ALA A 9 2.177 -0.863 -4.167 1.00 1.00 H new ATOM 0 HA ALA A 9 2.647 -3.492 -2.886 1.00 1.00 H new ATOM 0 HB1 ALA A 9 1.460 -4.383 -4.863 1.00 1.00 H new ATOM 0 HB2 ALA A 9 0.458 -3.223 -3.959 1.00 1.00 H new ATOM 0 HB3 ALA A 9 1.247 -2.726 -5.475 1.00 1.00 H new ATOM 28 N LYS A 10 4.536 -4.239 -4.306 1.00 1.00 N ATOM 29 CA LYS A 10 5.797 -4.644 -4.952 1.00 1.00 C ATOM 30 C LYS A 10 5.572 -5.808 -5.908 1.00 1.00 C ATOM 31 O LYS A 10 4.811 -6.743 -5.587 1.00 1.00 O ATOM 32 CB LYS A 10 6.840 -5.044 -3.898 1.00 1.00 C ATOM 33 CG LYS A 10 7.644 -3.880 -3.337 1.00 1.00 C ATOM 34 CD LYS A 10 8.583 -4.343 -2.234 1.00 1.00 C ATOM 35 CE LYS A 10 9.401 -3.194 -1.672 1.00 1.00 C ATOM 36 NZ LYS A 10 10.304 -3.643 -0.576 1.00 1.00 N ATOM 0 H LYS A 10 4.218 -4.902 -3.599 1.00 1.00 H new ATOM 0 HA LYS A 10 6.167 -3.789 -5.518 1.00 1.00 H new ATOM 0 HB2 LYS A 10 6.333 -5.549 -3.076 1.00 1.00 H new ATOM 0 HB3 LYS A 10 7.527 -5.765 -4.340 1.00 1.00 H new ATOM 0 HG2 LYS A 10 8.220 -3.413 -4.136 1.00 1.00 H new ATOM 0 HG3 LYS A 10 6.966 -3.121 -2.947 1.00 1.00 H new ATOM 0 HD2 LYS A 10 8.004 -4.803 -1.433 1.00 1.00 H new ATOM 0 HD3 LYS A 10 9.253 -5.109 -2.624 1.00 1.00 H new ATOM 0 HE2 LYS A 10 9.993 -2.745 -2.470 1.00 1.00 H new ATOM 0 HE3 LYS A 10 8.731 -2.420 -1.297 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 10.846 -2.831 -0.218 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 9.738 -4.049 0.196 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 10.960 -4.363 -0.940 1.00 1.00 H new ATOM 50 N CYS A 11 6.249 -5.726 -7.096 1.00 1.00 N ATOM 51 CA CYS A 11 6.202 -6.768 -8.172 1.00 1.00 C ATOM 52 C CYS A 11 7.031 -8.060 -7.788 1.00 1.00 C ATOM 53 O CYS A 11 8.186 -7.880 -7.344 1.00 1.00 O ATOM 54 CB CYS A 11 6.746 -6.210 -9.515 1.00 1.00 C ATOM 55 SG CYS A 11 6.556 -7.346 -10.947 1.00 1.00 S ATOM 0 H CYS A 11 6.844 -4.932 -7.334 1.00 1.00 H new ATOM 0 HA CYS A 11 5.153 -7.044 -8.283 1.00 1.00 H new ATOM 0 HB2 CYS A 11 6.233 -5.275 -9.739 1.00 1.00 H new ATOM 0 HB3 CYS A 11 7.803 -5.973 -9.394 1.00 1.00 H new ATOM 0 HG CYS A 11 6.380 -6.651 -12.032 1.00 1.00 H new ATOM 60 N PRO A 12 6.479 -9.386 -7.900 1.00 1.00 N ATOM 61 CA PRO A 12 7.282 -10.631 -7.594 1.00 1.00 C ATOM 62 C PRO A 12 8.373 -10.973 -8.658 1.00 1.00 C ATOM 63 O PRO A 12 9.241 -11.824 -8.391 1.00 1.00 O ATOM 64 CB PRO A 12 6.231 -11.771 -7.544 1.00 1.00 C ATOM 65 CG PRO A 12 4.900 -11.090 -7.520 1.00 1.00 C ATOM 66 CD PRO A 12 5.085 -9.819 -8.301 1.00 1.00 C ATOM 0 HA PRO A 12 7.837 -10.489 -6.667 1.00 1.00 H new ATOM 0 HB2 PRO A 12 6.321 -12.425 -8.411 1.00 1.00 H new ATOM 0 HB3 PRO A 12 6.369 -12.393 -6.660 1.00 1.00 H new ATOM 0 HG2 PRO A 12 4.130 -11.718 -7.969 1.00 1.00 H new ATOM 0 HG3 PRO A 12 4.585 -10.880 -6.498 1.00 1.00 H new ATOM 0 HD2 PRO A 12 5.006 -9.988 -9.375 1.00 1.00 H new ATOM 0 HD3 PRO A 12 4.337 -9.070 -8.040 1.00 1.00 H new ATOM 74 N ILE A 13 8.315 -10.277 -9.842 1.00 1.00 N ATOM 75 CA ILE A 13 9.222 -10.487 -11.010 1.00 1.00 C ATOM 76 C ILE A 13 10.439 -9.496 -10.946 1.00 1.00 C ATOM 77 O ILE A 13 11.587 -9.971 -10.979 1.00 1.00 O ATOM 78 CB ILE A 13 8.433 -10.355 -12.426 1.00 1.00 C ATOM 79 CG1 ILE A 13 7.070 -11.112 -12.453 1.00 1.00 C ATOM 80 CG2 ILE A 13 9.248 -10.890 -13.636 1.00 1.00 C ATOM 81 CD1 ILE A 13 5.861 -10.221 -12.675 1.00 1.00 C ATOM 0 H ILE A 13 7.624 -9.545 -10.007 1.00 1.00 H new ATOM 0 HA ILE A 13 9.602 -11.507 -10.953 1.00 1.00 H new ATOM 0 HB ILE A 13 8.273 -9.280 -12.514 1.00 1.00 H new ATOM 0 HG12 ILE A 13 7.102 -11.864 -13.242 1.00 1.00 H new ATOM 0 HG13 ILE A 13 6.945 -11.644 -11.510 1.00 1.00 H new ATOM 0 HG21 ILE A 13 8.664 -10.772 -14.549 1.00 1.00 H new ATOM 0 HG22 ILE A 13 10.178 -10.328 -13.725 1.00 1.00 H new ATOM 0 HG23 ILE A 13 9.475 -11.945 -13.484 1.00 1.00 H new ATOM 0 HD11 ILE A 13 4.957 -10.829 -12.679 1.00 1.00 H new ATOM 0 HD12 ILE A 13 5.799 -9.485 -11.873 1.00 1.00 H new ATOM 0 HD13 ILE A 13 5.958 -9.708 -13.632 1.00 1.00 H new ATOM 93 N CYS A 14 10.159 -8.156 -10.853 1.00 1.00 N ATOM 94 CA CYS A 14 11.213 -7.105 -10.825 1.00 1.00 C ATOM 95 C CYS A 14 11.465 -6.527 -9.418 1.00 1.00 C ATOM 96 O CYS A 14 12.635 -6.304 -9.058 1.00 1.00 O ATOM 97 CB CYS A 14 10.883 -5.970 -11.825 1.00 1.00 C ATOM 98 SG CYS A 14 9.332 -5.058 -11.490 1.00 1.00 S ATOM 0 H CYS A 14 9.210 -7.787 -10.797 1.00 1.00 H new ATOM 0 HA CYS A 14 12.138 -7.596 -11.128 1.00 1.00 H new ATOM 0 HB2 CYS A 14 11.709 -5.259 -11.828 1.00 1.00 H new ATOM 0 HB3 CYS A 14 10.825 -6.396 -12.827 1.00 1.00 H new ATOM 0 HG CYS A 14 8.331 -5.888 -11.492 1.00 1.00 H new ATOM 103 N GLY A 15 10.352 -6.295 -8.651 1.00 1.00 N ATOM 104 CA GLY A 15 10.390 -5.695 -7.295 1.00 1.00 C ATOM 105 C GLY A 15 10.305 -4.159 -7.306 1.00 1.00 C ATOM 106 O GLY A 15 10.925 -3.507 -6.445 1.00 1.00 O ATOM 0 H GLY A 15 9.409 -6.522 -8.965 1.00 1.00 H new ATOM 0 HA2 GLY A 15 9.564 -6.093 -6.706 1.00 1.00 H new ATOM 0 HA3 GLY A 15 11.311 -5.997 -6.797 1.00 1.00 H new ATOM 110 N SER A 16 9.521 -3.615 -8.288 1.00 1.00 N ATOM 111 CA SER A 16 9.323 -2.163 -8.500 1.00 1.00 C ATOM 112 C SER A 16 8.070 -1.607 -7.751 1.00 1.00 C ATOM 113 O SER A 16 7.074 -2.355 -7.680 1.00 1.00 O ATOM 114 CB SER A 16 9.170 -1.894 -9.992 1.00 1.00 C ATOM 115 OG SER A 16 10.265 -1.151 -10.494 1.00 1.00 O ATOM 0 H SER A 16 9.007 -4.188 -8.957 1.00 1.00 H new ATOM 0 HA SER A 16 10.197 -1.653 -8.095 1.00 1.00 H new ATOM 0 HB2 SER A 16 9.093 -2.840 -10.528 1.00 1.00 H new ATOM 0 HB3 SER A 16 8.244 -1.348 -10.173 1.00 1.00 H new ATOM 0 HG SER A 16 9.942 -0.485 -11.137 1.00 1.00 H new ATOM 121 N PRO A 17 8.055 -0.280 -7.173 1.00 1.00 N ATOM 122 CA PRO A 17 6.840 0.286 -6.469 1.00 1.00 C ATOM 123 C PRO A 17 5.606 0.540 -7.392 1.00 1.00 C ATOM 124 O PRO A 17 5.764 1.083 -8.505 1.00 1.00 O ATOM 125 CB PRO A 17 7.354 1.613 -5.840 1.00 1.00 C ATOM 126 CG PRO A 17 8.560 2.014 -6.651 1.00 1.00 C ATOM 127 CD PRO A 17 9.204 0.716 -7.082 1.00 1.00 C ATOM 0 HA PRO A 17 6.457 -0.430 -5.742 1.00 1.00 H new ATOM 0 HB2 PRO A 17 6.585 2.385 -5.875 1.00 1.00 H new ATOM 0 HB3 PRO A 17 7.617 1.472 -4.792 1.00 1.00 H new ATOM 0 HG2 PRO A 17 8.271 2.615 -7.514 1.00 1.00 H new ATOM 0 HG3 PRO A 17 9.249 2.617 -6.059 1.00 1.00 H new ATOM 0 HD2 PRO A 17 9.709 0.825 -8.042 1.00 1.00 H new ATOM 0 HD3 PRO A 17 9.954 0.389 -6.362 1.00 1.00 H new ATOM 135 N LEU A 18 4.424 0.127 -6.885 1.00 1.00 N ATOM 136 CA LEU A 18 3.126 0.264 -7.573 1.00 1.00 C ATOM 137 C LEU A 18 2.165 1.106 -6.745 1.00 1.00 C ATOM 138 O LEU A 18 2.168 1.019 -5.500 1.00 1.00 O ATOM 139 CB LEU A 18 2.484 -1.113 -7.848 1.00 1.00 C ATOM 140 CG LEU A 18 3.096 -1.934 -8.997 1.00 1.00 C ATOM 141 CD1 LEU A 18 3.182 -3.402 -8.610 1.00 1.00 C ATOM 142 CD2 LEU A 18 2.275 -1.778 -10.278 1.00 1.00 C ATOM 0 H LEU A 18 4.346 -0.318 -5.971 1.00 1.00 H new ATOM 0 HA LEU A 18 3.317 0.758 -8.525 1.00 1.00 H new ATOM 0 HB2 LEU A 18 2.542 -1.706 -6.935 1.00 1.00 H new ATOM 0 HB3 LEU A 18 1.426 -0.961 -8.062 1.00 1.00 H new ATOM 0 HG LEU A 18 4.101 -1.556 -9.184 1.00 1.00 H new ATOM 0 HD11 LEU A 18 3.617 -3.970 -9.432 1.00 1.00 H new ATOM 0 HD12 LEU A 18 3.808 -3.509 -7.724 1.00 1.00 H new ATOM 0 HD13 LEU A 18 2.183 -3.781 -8.396 1.00 1.00 H new ATOM 0 HD21 LEU A 18 2.728 -2.368 -11.075 1.00 1.00 H new ATOM 0 HD22 LEU A 18 1.257 -2.126 -10.103 1.00 1.00 H new ATOM 0 HD23 LEU A 18 2.254 -0.728 -10.571 1.00 1.00 H new ATOM 154 N LYS A 19 1.327 1.899 -7.468 1.00 1.00 N ATOM 155 CA LYS A 19 0.307 2.787 -6.873 1.00 1.00 C ATOM 156 C LYS A 19 -1.047 2.071 -6.754 1.00 1.00 C ATOM 157 O LYS A 19 -1.525 1.460 -7.731 1.00 1.00 O ATOM 158 CB LYS A 19 0.153 4.072 -7.712 1.00 1.00 C ATOM 159 CG LYS A 19 1.198 5.142 -7.424 1.00 1.00 C ATOM 160 CD LYS A 19 1.058 6.325 -8.368 1.00 1.00 C ATOM 161 CE LYS A 19 2.136 7.365 -8.115 1.00 1.00 C ATOM 162 NZ LYS A 19 2.038 8.510 -9.061 1.00 1.00 N ATOM 0 H LYS A 19 1.346 1.935 -8.487 1.00 1.00 H new ATOM 0 HA LYS A 19 0.642 3.057 -5.871 1.00 1.00 H new ATOM 0 HB2 LYS A 19 0.202 3.809 -8.769 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -0.837 4.491 -7.533 1.00 1.00 H new ATOM 0 HG2 LYS A 19 1.097 5.483 -6.394 1.00 1.00 H new ATOM 0 HG3 LYS A 19 2.196 4.714 -7.521 1.00 1.00 H new ATOM 0 HD2 LYS A 19 1.119 5.979 -9.400 1.00 1.00 H new ATOM 0 HD3 LYS A 19 0.075 6.779 -8.242 1.00 1.00 H new ATOM 0 HE2 LYS A 19 2.053 7.732 -7.092 1.00 1.00 H new ATOM 0 HE3 LYS A 19 3.117 6.900 -8.209 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 2.791 9.197 -8.854 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 2.143 8.164 -10.036 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 1.111 8.970 -8.954 1.00 1.00 H new ATOM 176 N TRP A 20 -1.628 2.133 -5.515 1.00 1.00 N ATOM 177 CA TRP A 20 -2.966 1.547 -5.156 1.00 1.00 C ATOM 178 C TRP A 20 -4.156 2.283 -5.833 1.00 1.00 C ATOM 179 O TRP A 20 -5.212 1.678 -6.041 1.00 1.00 O ATOM 180 CB TRP A 20 -3.138 1.506 -3.630 1.00 1.00 C ATOM 181 CG TRP A 20 -2.520 0.270 -2.995 1.00 1.00 C ATOM 182 CD1 TRP A 20 -1.241 0.164 -2.517 1.00 1.00 C ATOM 183 CD2 TRP A 20 -3.138 -1.029 -2.756 1.00 1.00 C ATOM 184 NE1 TRP A 20 -1.014 -1.097 -2.025 1.00 1.00 N ATOM 185 CE2 TRP A 20 -2.153 -1.844 -2.155 1.00 1.00 C ATOM 186 CE3 TRP A 20 -4.413 -1.594 -2.989 1.00 1.00 C ATOM 187 CZ2 TRP A 20 -2.395 -3.171 -1.793 1.00 1.00 C ATOM 188 CZ3 TRP A 20 -4.644 -2.907 -2.622 1.00 1.00 C ATOM 189 CH2 TRP A 20 -3.639 -3.682 -2.031 1.00 1.00 C ATOM 0 H TRP A 20 -1.176 2.597 -4.727 1.00 1.00 H new ATOM 0 HA TRP A 20 -2.981 0.529 -5.545 1.00 1.00 H new ATOM 0 HB2 TRP A 20 -2.684 2.397 -3.195 1.00 1.00 H new ATOM 0 HB3 TRP A 20 -4.200 1.539 -3.389 1.00 1.00 H new ATOM 0 HD1 TRP A 20 -0.513 0.961 -2.526 1.00 1.00 H new ATOM 0 HE1 TRP A 20 -0.135 -1.425 -1.625 1.00 1.00 H new ATOM 0 HE3 TRP A 20 -5.196 -1.008 -3.447 1.00 1.00 H new ATOM 0 HZ2 TRP A 20 -1.623 -3.774 -1.339 1.00 1.00 H new ATOM 0 HZ3 TRP A 20 -5.617 -3.342 -2.794 1.00 1.00 H new ATOM 0 HH2 TRP A 20 -3.852 -4.705 -1.758 1.00 1.00 H new ATOM 200 N GLU A 21 -3.931 3.601 -6.174 1.00 1.00 N ATOM 201 CA GLU A 21 -4.892 4.501 -6.899 1.00 1.00 C ATOM 202 C GLU A 21 -5.077 4.099 -8.396 1.00 1.00 C ATOM 203 O GLU A 21 -6.172 4.293 -8.949 1.00 1.00 O ATOM 204 CB GLU A 21 -4.423 5.962 -6.808 1.00 1.00 C ATOM 205 CG GLU A 21 -4.768 6.652 -5.490 1.00 1.00 C ATOM 206 CD GLU A 21 -4.176 8.044 -5.383 1.00 1.00 C ATOM 207 OE1 GLU A 21 -4.839 9.008 -5.820 1.00 1.00 O ATOM 208 OE2 GLU A 21 -3.050 8.171 -4.857 1.00 1.00 O ATOM 0 H GLU A 21 -3.056 4.072 -5.945 1.00 1.00 H new ATOM 0 HA GLU A 21 -5.860 4.391 -6.410 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -3.343 5.994 -6.949 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -4.869 6.526 -7.627 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -5.852 6.714 -5.391 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -4.406 6.044 -4.661 1.00 1.00 H new ATOM 215 N GLU A 22 -3.971 3.547 -9.021 1.00 1.00 N ATOM 216 CA GLU A 22 -3.940 3.033 -10.431 1.00 1.00 C ATOM 217 C GLU A 22 -4.624 1.645 -10.579 1.00 1.00 C ATOM 218 O GLU A 22 -5.237 1.365 -11.620 1.00 1.00 O ATOM 219 CB GLU A 22 -2.498 2.956 -10.949 1.00 1.00 C ATOM 220 CG GLU A 22 -1.965 4.277 -11.486 1.00 1.00 C ATOM 221 CD GLU A 22 -0.555 4.164 -12.026 1.00 1.00 C ATOM 222 OE1 GLU A 22 0.400 4.320 -11.234 1.00 1.00 O ATOM 223 OE2 GLU A 22 -0.402 3.920 -13.241 1.00 1.00 O ATOM 0 H GLU A 22 -3.073 3.450 -8.547 1.00 1.00 H new ATOM 0 HA GLU A 22 -4.508 3.744 -11.031 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -1.850 2.615 -10.142 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -2.445 2.206 -11.738 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -2.624 4.635 -12.277 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -1.986 5.022 -10.691 1.00 1.00 H new ATOM 230 N LEU A 23 -4.489 0.794 -9.497 1.00 1.00 N ATOM 231 CA LEU A 23 -5.073 -0.577 -9.365 1.00 1.00 C ATOM 232 C LEU A 23 -6.646 -0.566 -9.307 1.00 1.00 C ATOM 233 O LEU A 23 -7.288 -1.422 -9.936 1.00 1.00 O ATOM 234 CB LEU A 23 -4.472 -1.233 -8.095 1.00 1.00 C ATOM 235 CG LEU A 23 -4.376 -2.765 -8.088 1.00 1.00 C ATOM 236 CD1 LEU A 23 -2.926 -3.225 -8.177 1.00 1.00 C ATOM 237 CD2 LEU A 23 -5.050 -3.326 -6.845 1.00 1.00 C ATOM 0 H LEU A 23 -3.952 1.063 -8.673 1.00 1.00 H new ATOM 0 HA LEU A 23 -4.817 -1.156 -10.253 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -3.471 -0.829 -7.945 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -5.071 -0.926 -7.238 1.00 1.00 H new ATOM 0 HG LEU A 23 -4.896 -3.147 -8.967 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -2.889 -4.314 -8.170 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -2.482 -2.853 -9.100 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -2.368 -2.837 -7.324 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -4.976 -4.413 -6.850 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -4.558 -2.933 -5.955 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -6.100 -3.034 -6.837 1.00 1.00 H new ATOM 249 N ILE A 24 -7.217 0.432 -8.544 1.00 1.00 N ATOM 250 CA ILE A 24 -8.697 0.659 -8.360 1.00 1.00 C ATOM 251 C ILE A 24 -9.303 1.401 -9.619 1.00 1.00 C ATOM 252 O ILE A 24 -10.434 1.082 -10.022 1.00 1.00 O ATOM 253 CB ILE A 24 -9.043 1.445 -6.974 1.00 1.00 C ATOM 254 CG1 ILE A 24 -8.233 0.986 -5.658 1.00 1.00 C ATOM 255 CG2 ILE A 24 -10.569 1.466 -6.636 1.00 1.00 C ATOM 256 CD1 ILE A 24 -8.068 -0.524 -5.308 1.00 1.00 C ATOM 0 H ILE A 24 -6.652 1.110 -8.033 1.00 1.00 H new ATOM 0 HA ILE A 24 -9.169 -0.320 -8.277 1.00 1.00 H new ATOM 0 HB ILE A 24 -8.694 2.449 -7.217 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -7.231 1.408 -5.735 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -8.714 1.462 -4.804 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -10.727 2.005 -5.702 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -11.113 1.964 -7.439 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -10.933 0.444 -6.532 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -7.493 -0.623 -4.387 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -9.051 -0.976 -5.173 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -7.544 -1.030 -6.119 1.00 1.00 H new ATOM 268 N GLU A 25 -8.525 2.388 -10.198 1.00 1.00 N ATOM 269 CA GLU A 25 -8.902 3.200 -11.408 1.00 1.00 C ATOM 270 C GLU A 25 -9.018 2.352 -12.716 1.00 1.00 C ATOM 271 O GLU A 25 -9.884 2.637 -13.561 1.00 1.00 O ATOM 272 CB GLU A 25 -7.884 4.330 -11.601 1.00 1.00 C ATOM 273 CG GLU A 25 -8.523 5.696 -11.811 1.00 1.00 C ATOM 274 CD GLU A 25 -7.508 6.790 -12.086 1.00 1.00 C ATOM 275 OE1 GLU A 25 -6.878 7.276 -11.121 1.00 1.00 O ATOM 276 OE2 GLU A 25 -7.347 7.165 -13.266 1.00 1.00 O ATOM 0 H GLU A 25 -7.609 2.640 -9.828 1.00 1.00 H new ATOM 0 HA GLU A 25 -9.895 3.608 -11.220 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -7.232 4.373 -10.729 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -7.253 4.097 -12.459 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -9.223 5.639 -12.645 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -9.102 5.960 -10.926 1.00 1.00 H new ATOM 283 N GLU A 26 -8.126 1.313 -12.837 1.00 1.00 N ATOM 284 CA GLU A 26 -8.078 0.328 -13.956 1.00 1.00 C ATOM 285 C GLU A 26 -9.134 -0.802 -13.798 1.00 1.00 C ATOM 286 O GLU A 26 -9.539 -1.413 -14.807 1.00 1.00 O ATOM 287 CB GLU A 26 -6.697 -0.325 -14.013 1.00 1.00 C ATOM 288 CG GLU A 26 -5.597 0.522 -14.656 1.00 1.00 C ATOM 289 CD GLU A 26 -4.268 -0.204 -14.736 1.00 1.00 C ATOM 290 OE1 GLU A 26 -3.491 -0.130 -13.762 1.00 1.00 O ATOM 291 OE2 GLU A 26 -4.006 -0.849 -15.773 1.00 1.00 O ATOM 0 H GLU A 26 -7.405 1.140 -12.136 1.00 1.00 H new ATOM 0 HA GLU A 26 -8.293 0.882 -14.870 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -6.391 -0.578 -12.998 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -6.779 -1.262 -14.564 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -5.908 0.813 -15.659 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -5.470 1.441 -14.083 1.00 1.00 H new ATOM 298 N MET A 27 -9.558 -1.040 -12.517 1.00 1.00 N ATOM 299 CA MET A 27 -10.534 -2.072 -12.144 1.00 1.00 C ATOM 300 C MET A 27 -11.974 -1.490 -11.885 1.00 1.00 C ATOM 301 O MET A 27 -12.879 -2.223 -11.427 1.00 1.00 O ATOM 302 CB MET A 27 -9.995 -2.844 -10.919 1.00 1.00 C ATOM 303 CG MET A 27 -9.149 -4.059 -11.276 1.00 1.00 C ATOM 304 SD MET A 27 -8.666 -5.014 -9.826 1.00 1.00 S ATOM 305 CE MET A 27 -9.968 -6.247 -9.789 1.00 1.00 C ATOM 0 H MET A 27 -9.217 -0.505 -11.718 1.00 1.00 H new ATOM 0 HA MET A 27 -10.652 -2.756 -12.984 1.00 1.00 H new ATOM 0 HB2 MET A 27 -9.399 -2.166 -10.308 1.00 1.00 H new ATOM 0 HB3 MET A 27 -10.837 -3.167 -10.307 1.00 1.00 H new ATOM 0 HG2 MET A 27 -9.708 -4.699 -11.959 1.00 1.00 H new ATOM 0 HG3 MET A 27 -8.255 -3.732 -11.806 1.00 1.00 H new ATOM 0 HE1 MET A 27 -9.656 -7.087 -9.169 1.00 1.00 H new ATOM 0 HE2 MET A 27 -10.874 -5.807 -9.374 1.00 1.00 H new ATOM 0 HE3 MET A 27 -10.166 -6.597 -10.802 1.00 1.00 H new ATOM 315 N LEU A 28 -12.185 -0.174 -12.217 1.00 1.00 N ATOM 316 CA LEU A 28 -13.485 0.535 -12.044 1.00 1.00 C ATOM 317 C LEU A 28 -14.427 0.414 -13.308 1.00 1.00 C ATOM 318 O LEU A 28 -15.472 1.103 -13.400 1.00 1.00 O ATOM 319 CB LEU A 28 -13.198 2.009 -11.657 1.00 1.00 C ATOM 320 CG LEU A 28 -14.094 2.604 -10.554 1.00 1.00 C ATOM 321 CD1 LEU A 28 -13.351 2.655 -9.225 1.00 1.00 C ATOM 322 CD2 LEU A 28 -14.570 3.992 -10.950 1.00 1.00 C ATOM 0 H LEU A 28 -11.454 0.418 -12.611 1.00 1.00 H new ATOM 0 HA LEU A 28 -14.042 0.054 -11.240 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -12.160 2.083 -11.334 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -13.298 2.625 -12.551 1.00 1.00 H new ATOM 0 HG LEU A 28 -14.964 1.959 -10.434 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -14.002 3.078 -8.460 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -13.057 1.647 -8.934 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -12.462 3.276 -9.329 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -15.202 4.399 -10.161 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -13.709 4.644 -11.098 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -15.141 3.930 -11.876 1.00 1.00 H new ATOM 334 N ILE A 29 -14.060 -0.529 -14.230 1.00 1.00 N ATOM 335 CA ILE A 29 -14.794 -0.840 -15.501 1.00 1.00 C ATOM 336 C ILE A 29 -15.906 -1.939 -15.325 1.00 1.00 C ATOM 337 O ILE A 29 -16.691 -2.184 -16.265 1.00 1.00 O ATOM 338 CB ILE A 29 -13.827 -1.228 -16.712 1.00 1.00 C ATOM 339 CG1 ILE A 29 -12.664 -2.226 -16.371 1.00 1.00 C ATOM 340 CG2 ILE A 29 -13.241 0.037 -17.326 1.00 1.00 C ATOM 341 CD1 ILE A 29 -12.699 -3.504 -17.186 1.00 1.00 C ATOM 0 H ILE A 29 -13.228 -1.107 -14.108 1.00 1.00 H new ATOM 0 HA ILE A 29 -15.289 0.097 -15.757 1.00 1.00 H new ATOM 0 HB ILE A 29 -14.465 -1.765 -17.414 1.00 1.00 H new ATOM 0 HG12 ILE A 29 -11.709 -1.727 -16.535 1.00 1.00 H new ATOM 0 HG13 ILE A 29 -12.713 -2.479 -15.312 1.00 1.00 H new ATOM 0 HG21 ILE A 29 -12.582 -0.231 -18.152 1.00 1.00 H new ATOM 0 HG22 ILE A 29 -14.048 0.669 -17.696 1.00 1.00 H new ATOM 0 HG23 ILE A 29 -12.673 0.579 -16.570 1.00 1.00 H new ATOM 0 HD11 ILE A 29 -11.866 -4.144 -16.895 1.00 1.00 H new ATOM 0 HD12 ILE A 29 -13.638 -4.026 -17.004 1.00 1.00 H new ATOM 0 HD13 ILE A 29 -12.618 -3.262 -18.246 1.00 1.00 H new ATOM 353 N ILE A 30 -15.960 -2.546 -14.103 1.00 1.00 N ATOM 354 CA ILE A 30 -16.917 -3.635 -13.718 1.00 1.00 C ATOM 355 C ILE A 30 -18.117 -3.008 -12.945 1.00 1.00 C ATOM 356 O ILE A 30 -17.924 -2.086 -12.131 1.00 1.00 O ATOM 357 CB ILE A 30 -16.252 -4.823 -12.835 1.00 1.00 C ATOM 358 CG1 ILE A 30 -14.791 -5.184 -13.249 1.00 1.00 C ATOM 359 CG2 ILE A 30 -17.078 -6.139 -12.910 1.00 1.00 C ATOM 360 CD1 ILE A 30 -13.778 -5.117 -12.113 1.00 1.00 C ATOM 0 H ILE A 30 -15.330 -2.290 -13.343 1.00 1.00 H new ATOM 0 HA ILE A 30 -17.246 -4.104 -14.645 1.00 1.00 H new ATOM 0 HB ILE A 30 -16.246 -4.416 -11.824 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -14.783 -6.191 -13.667 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -14.474 -4.507 -14.042 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -16.596 -6.906 -12.304 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -18.085 -5.959 -12.533 1.00 1.00 H new ATOM 0 HG23 ILE A 30 -17.133 -6.476 -13.945 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -12.790 -5.383 -12.490 1.00 1.00 H new ATOM 0 HD12 ILE A 30 -13.752 -4.105 -11.708 1.00 1.00 H new ATOM 0 HD13 ILE A 30 -14.066 -5.815 -11.327 1.00 1.00 H new ATOM 372 N GLU A 31 -19.340 -3.550 -13.238 1.00 1.00 N ATOM 373 CA GLU A 31 -20.635 -3.136 -12.595 1.00 1.00 C ATOM 374 C GLU A 31 -20.875 -3.803 -11.205 1.00 1.00 C ATOM 375 O GLU A 31 -21.691 -3.292 -10.412 1.00 1.00 O ATOM 376 CB GLU A 31 -21.820 -3.427 -13.533 1.00 1.00 C ATOM 377 CG GLU A 31 -22.039 -2.373 -14.617 1.00 1.00 C ATOM 378 CD GLU A 31 -23.199 -2.709 -15.535 1.00 1.00 C ATOM 379 OE1 GLU A 31 -22.977 -3.431 -16.529 1.00 1.00 O ATOM 380 OE2 GLU A 31 -24.327 -2.249 -15.261 1.00 1.00 O ATOM 0 H GLU A 31 -19.458 -4.290 -13.930 1.00 1.00 H new ATOM 0 HA GLU A 31 -20.560 -2.063 -12.419 1.00 1.00 H new ATOM 0 HB2 GLU A 31 -21.661 -4.394 -14.010 1.00 1.00 H new ATOM 0 HB3 GLU A 31 -22.728 -3.511 -12.936 1.00 1.00 H new ATOM 0 HG2 GLU A 31 -22.221 -1.407 -14.147 1.00 1.00 H new ATOM 0 HG3 GLU A 31 -21.130 -2.273 -15.209 1.00 1.00 H new ATOM 387 N ASN A 32 -20.142 -4.936 -10.936 1.00 1.00 N ATOM 388 CA ASN A 32 -20.170 -5.695 -9.647 1.00 1.00 C ATOM 389 C ASN A 32 -19.313 -5.018 -8.535 1.00 1.00 C ATOM 390 O ASN A 32 -19.530 -5.282 -7.340 1.00 1.00 O ATOM 391 CB ASN A 32 -19.685 -7.132 -9.875 1.00 1.00 C ATOM 392 CG ASN A 32 -20.794 -8.044 -10.364 1.00 1.00 C ATOM 393 OD1 ASN A 32 -21.032 -8.160 -11.565 1.00 1.00 O ATOM 394 ND2 ASN A 32 -21.478 -8.699 -9.432 1.00 1.00 N ATOM 0 H ASN A 32 -19.509 -5.348 -11.622 1.00 1.00 H new ATOM 0 HA ASN A 32 -21.203 -5.700 -9.300 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -18.874 -7.128 -10.603 1.00 1.00 H new ATOM 0 HB3 ASN A 32 -19.277 -7.527 -8.945 1.00 1.00 H new ATOM 0 HD21 ASN A 32 -22.234 -9.328 -9.702 1.00 1.00 H new ATOM 0 HD22 ASN A 32 -21.247 -8.573 -8.447 1.00 1.00 H new ATOM 401 N PHE A 33 -18.345 -4.120 -8.969 1.00 1.00 N ATOM 402 CA PHE A 33 -17.403 -3.328 -8.094 1.00 1.00 C ATOM 403 C PHE A 33 -18.133 -2.430 -7.057 1.00 1.00 C ATOM 404 O PHE A 33 -17.638 -2.259 -5.932 1.00 1.00 O ATOM 405 CB PHE A 33 -16.439 -2.482 -8.957 1.00 1.00 C ATOM 406 CG PHE A 33 -15.015 -2.397 -8.407 1.00 1.00 C ATOM 407 CD1 PHE A 33 -14.062 -3.362 -8.734 1.00 1.00 C ATOM 408 CD2 PHE A 33 -14.640 -1.365 -7.551 1.00 1.00 C ATOM 409 CE1 PHE A 33 -12.780 -3.295 -8.222 1.00 1.00 C ATOM 410 CE2 PHE A 33 -13.359 -1.298 -7.041 1.00 1.00 C ATOM 411 CZ PHE A 33 -12.429 -2.264 -7.375 1.00 1.00 C ATOM 0 H PHE A 33 -18.202 -3.929 -9.961 1.00 1.00 H new ATOM 0 HA PHE A 33 -16.831 -4.059 -7.522 1.00 1.00 H new ATOM 0 HB2 PHE A 33 -16.404 -2.904 -9.962 1.00 1.00 H new ATOM 0 HB3 PHE A 33 -16.842 -1.473 -9.049 1.00 1.00 H new ATOM 0 HD1 PHE A 33 -14.330 -4.172 -9.396 1.00 1.00 H new ATOM 0 HD2 PHE A 33 -15.361 -0.607 -7.282 1.00 1.00 H new ATOM 0 HE1 PHE A 33 -12.053 -4.049 -8.485 1.00 1.00 H new ATOM 0 HE2 PHE A 33 -13.083 -0.490 -6.380 1.00 1.00 H new ATOM 0 HZ PHE A 33 -11.428 -2.212 -6.973 1.00 1.00 H new ATOM 421 N GLU A 34 -19.313 -1.866 -7.485 1.00 1.00 N ATOM 422 CA GLU A 34 -20.247 -1.037 -6.631 1.00 1.00 C ATOM 423 C GLU A 34 -20.827 -1.854 -5.422 1.00 1.00 C ATOM 424 O GLU A 34 -21.181 -1.271 -4.385 1.00 1.00 O ATOM 425 CB GLU A 34 -21.409 -0.492 -7.478 1.00 1.00 C ATOM 426 CG GLU A 34 -21.056 0.738 -8.311 1.00 1.00 C ATOM 427 CD GLU A 34 -22.239 1.265 -9.100 1.00 1.00 C ATOM 428 OE1 GLU A 34 -22.456 0.788 -10.234 1.00 1.00 O ATOM 429 OE2 GLU A 34 -22.949 2.151 -8.583 1.00 1.00 O ATOM 0 H GLU A 34 -19.648 -1.974 -8.442 1.00 1.00 H new ATOM 0 HA GLU A 34 -19.659 -0.211 -6.231 1.00 1.00 H new ATOM 0 HB2 GLU A 34 -21.758 -1.280 -8.145 1.00 1.00 H new ATOM 0 HB3 GLU A 34 -22.239 -0.243 -6.817 1.00 1.00 H new ATOM 0 HG2 GLU A 34 -20.683 1.523 -7.653 1.00 1.00 H new ATOM 0 HG3 GLU A 34 -20.248 0.488 -8.998 1.00 1.00 H new ATOM 436 N GLU A 35 -20.925 -3.209 -5.633 1.00 1.00 N ATOM 437 CA GLU A 35 -21.371 -4.223 -4.626 1.00 1.00 C ATOM 438 C GLU A 35 -20.192 -4.743 -3.756 1.00 1.00 C ATOM 439 O GLU A 35 -20.397 -5.044 -2.570 1.00 1.00 O ATOM 440 CB GLU A 35 -22.052 -5.419 -5.310 1.00 1.00 C ATOM 441 CG GLU A 35 -23.504 -5.186 -5.712 1.00 1.00 C ATOM 442 CD GLU A 35 -24.133 -6.421 -6.326 1.00 1.00 C ATOM 443 OE1 GLU A 35 -24.006 -6.604 -7.555 1.00 1.00 O ATOM 444 OE2 GLU A 35 -24.745 -7.211 -5.576 1.00 1.00 O ATOM 0 H GLU A 35 -20.689 -3.631 -6.531 1.00 1.00 H new ATOM 0 HA GLU A 35 -22.085 -3.716 -3.976 1.00 1.00 H new ATOM 0 HB2 GLU A 35 -21.481 -5.683 -6.200 1.00 1.00 H new ATOM 0 HB3 GLU A 35 -22.009 -6.276 -4.638 1.00 1.00 H new ATOM 0 HG2 GLU A 35 -24.078 -4.885 -4.836 1.00 1.00 H new ATOM 0 HG3 GLU A 35 -23.554 -4.362 -6.424 1.00 1.00 H new ATOM 451 N ILE A 36 -18.955 -4.844 -4.378 1.00 1.00 N ATOM 452 CA ILE A 36 -17.667 -5.309 -3.721 1.00 1.00 C ATOM 453 C ILE A 36 -17.133 -4.216 -2.701 1.00 1.00 C ATOM 454 O ILE A 36 -16.656 -4.580 -1.620 1.00 1.00 O ATOM 455 CB ILE A 36 -16.529 -5.771 -4.794 1.00 1.00 C ATOM 456 CG1 ILE A 36 -17.054 -6.881 -5.773 1.00 1.00 C ATOM 457 CG2 ILE A 36 -15.243 -6.342 -4.104 1.00 1.00 C ATOM 458 CD1 ILE A 36 -16.599 -6.773 -7.240 1.00 1.00 C ATOM 0 H ILE A 36 -18.826 -4.602 -5.360 1.00 1.00 H new ATOM 0 HA ILE A 36 -17.903 -6.210 -3.154 1.00 1.00 H new ATOM 0 HB ILE A 36 -16.285 -4.861 -5.342 1.00 1.00 H new ATOM 0 HG12 ILE A 36 -16.740 -7.851 -5.389 1.00 1.00 H new ATOM 0 HG13 ILE A 36 -18.144 -6.867 -5.752 1.00 1.00 H new ATOM 0 HG21 ILE A 36 -14.520 -6.633 -4.866 1.00 1.00 H new ATOM 0 HG22 ILE A 36 -14.805 -5.578 -3.462 1.00 1.00 H new ATOM 0 HG23 ILE A 36 -15.508 -7.212 -3.504 1.00 1.00 H new ATOM 0 HD11 ILE A 36 -17.026 -7.595 -7.815 1.00 1.00 H new ATOM 0 HD12 ILE A 36 -16.937 -5.824 -7.657 1.00 1.00 H new ATOM 0 HD13 ILE A 36 -15.511 -6.824 -7.288 1.00 1.00 H new ATOM 470 N VAL A 37 -17.234 -2.906 -3.087 1.00 1.00 N ATOM 471 CA VAL A 37 -16.788 -1.694 -2.262 1.00 1.00 C ATOM 472 C VAL A 37 -17.487 -1.561 -0.851 1.00 1.00 C ATOM 473 O VAL A 37 -16.955 -0.886 0.045 1.00 1.00 O ATOM 474 CB VAL A 37 -16.924 -0.311 -3.047 1.00 1.00 C ATOM 475 CG1 VAL A 37 -15.842 -0.187 -4.120 1.00 1.00 C ATOM 476 CG2 VAL A 37 -18.314 -0.065 -3.695 1.00 1.00 C ATOM 0 H VAL A 37 -17.630 -2.640 -3.988 1.00 1.00 H new ATOM 0 HA VAL A 37 -15.732 -1.900 -2.085 1.00 1.00 H new ATOM 0 HB VAL A 37 -16.799 0.455 -2.281 1.00 1.00 H new ATOM 0 HG11 VAL A 37 -15.954 0.763 -4.642 1.00 1.00 H new ATOM 0 HG12 VAL A 37 -14.859 -0.230 -3.652 1.00 1.00 H new ATOM 0 HG13 VAL A 37 -15.940 -1.006 -4.832 1.00 1.00 H new ATOM 0 HG21 VAL A 37 -18.312 0.898 -4.206 1.00 1.00 H new ATOM 0 HG22 VAL A 37 -18.525 -0.857 -4.414 1.00 1.00 H new ATOM 0 HG23 VAL A 37 -19.081 -0.064 -2.921 1.00 1.00 H new ATOM 486 N LYS A 38 -18.704 -2.166 -0.747 1.00 1.00 N ATOM 487 CA LYS A 38 -19.535 -2.219 0.490 1.00 1.00 C ATOM 488 C LYS A 38 -19.193 -3.439 1.404 1.00 1.00 C ATOM 489 O LYS A 38 -19.580 -3.438 2.594 1.00 1.00 O ATOM 490 CB LYS A 38 -21.030 -2.250 0.110 1.00 1.00 C ATOM 491 CG LYS A 38 -21.619 -0.889 -0.256 1.00 1.00 C ATOM 492 CD LYS A 38 -23.077 -1.007 -0.662 1.00 1.00 C ATOM 493 CE LYS A 38 -23.657 0.339 -1.063 1.00 1.00 C ATOM 494 NZ LYS A 38 -25.085 0.226 -1.467 1.00 1.00 N ATOM 0 H LYS A 38 -19.143 -2.640 -1.537 1.00 1.00 H new ATOM 0 HA LYS A 38 -19.309 -1.321 1.066 1.00 1.00 H new ATOM 0 HB2 LYS A 38 -21.164 -2.928 -0.733 1.00 1.00 H new ATOM 0 HB3 LYS A 38 -21.596 -2.664 0.945 1.00 1.00 H new ATOM 0 HG2 LYS A 38 -21.530 -0.212 0.594 1.00 1.00 H new ATOM 0 HG3 LYS A 38 -21.046 -0.451 -1.074 1.00 1.00 H new ATOM 0 HD2 LYS A 38 -23.168 -1.705 -1.494 1.00 1.00 H new ATOM 0 HD3 LYS A 38 -23.653 -1.420 0.166 1.00 1.00 H new ATOM 0 HE2 LYS A 38 -23.569 1.036 -0.229 1.00 1.00 H new ATOM 0 HE3 LYS A 38 -23.077 0.754 -1.888 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 -25.446 1.164 -1.734 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 -25.166 -0.419 -2.278 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 -25.642 -0.146 -0.672 1.00 1.00 H new ATOM 508 N ASP A 39 -18.450 -4.446 0.835 1.00 1.00 N ATOM 509 CA ASP A 39 -18.041 -5.674 1.532 1.00 1.00 C ATOM 510 C ASP A 39 -16.512 -5.887 1.468 1.00 1.00 C ATOM 511 O ASP A 39 -15.934 -6.206 0.403 1.00 1.00 O ATOM 512 CB ASP A 39 -18.808 -6.893 0.964 1.00 1.00 C ATOM 513 CG ASP A 39 -20.159 -7.100 1.622 1.00 1.00 C ATOM 514 OD1 ASP A 39 -20.192 -7.510 2.802 1.00 1.00 O ATOM 515 OD2 ASP A 39 -21.187 -6.855 0.955 1.00 1.00 O ATOM 0 H ASP A 39 -18.125 -4.408 -0.131 1.00 1.00 H new ATOM 0 HA ASP A 39 -18.299 -5.567 2.586 1.00 1.00 H new ATOM 0 HB2 ASP A 39 -18.949 -6.760 -0.109 1.00 1.00 H new ATOM 0 HB3 ASP A 39 -18.204 -7.790 1.097 1.00 1.00 H new ATOM 520 N ARG A 40 -15.852 -5.642 2.647 1.00 1.00 N ATOM 521 CA ARG A 40 -14.362 -5.831 2.893 1.00 1.00 C ATOM 522 C ARG A 40 -13.865 -7.287 2.659 1.00 1.00 C ATOM 523 O ARG A 40 -12.734 -7.484 2.203 1.00 1.00 O ATOM 524 CB ARG A 40 -13.998 -5.403 4.330 1.00 1.00 C ATOM 525 CG ARG A 40 -14.025 -3.874 4.569 1.00 1.00 C ATOM 526 CD ARG A 40 -14.707 -3.506 5.895 1.00 1.00 C ATOM 527 NE ARG A 40 -16.198 -3.586 5.811 1.00 1.00 N ATOM 528 CZ ARG A 40 -17.091 -3.636 6.850 1.00 1.00 C ATOM 529 NH1 ARG A 40 -16.732 -3.586 8.148 1.00 1.00 N ATOM 530 NH2 ARG A 40 -18.382 -3.735 6.563 1.00 1.00 N ATOM 0 H ARG A 40 -16.341 -5.301 3.474 1.00 1.00 H new ATOM 0 HA ARG A 40 -13.861 -5.199 2.160 1.00 1.00 H new ATOM 0 HB2 ARG A 40 -14.691 -5.879 5.024 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -13.002 -5.778 4.566 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -13.005 -3.490 4.568 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -14.549 -3.388 3.746 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -14.354 -4.175 6.680 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -14.416 -2.496 6.182 1.00 1.00 H new ATOM 0 HE ARG A 40 -16.597 -3.606 4.872 1.00 1.00 H new ATOM 0 HH11 ARG A 40 -15.747 -3.506 8.402 1.00 1.00 H new ATOM 0 HH12 ARG A 40 -17.445 -3.628 8.876 1.00 1.00 H new ATOM 0 HH21 ARG A 40 -18.687 -3.772 5.590 1.00 1.00 H new ATOM 0 HH22 ARG A 40 -19.070 -3.774 7.315 1.00 1.00 H new ATOM 544 N GLU A 41 -14.763 -8.284 2.965 1.00 1.00 N ATOM 545 CA GLU A 41 -14.545 -9.751 2.773 1.00 1.00 C ATOM 546 C GLU A 41 -14.531 -10.169 1.272 1.00 1.00 C ATOM 547 O GLU A 41 -13.831 -11.127 0.910 1.00 1.00 O ATOM 548 CB GLU A 41 -15.646 -10.511 3.513 1.00 1.00 C ATOM 549 CG GLU A 41 -15.137 -11.617 4.426 1.00 1.00 C ATOM 550 CD GLU A 41 -16.260 -12.346 5.142 1.00 1.00 C ATOM 551 OE1 GLU A 41 -16.767 -11.813 6.154 1.00 1.00 O ATOM 552 OE2 GLU A 41 -16.635 -13.448 4.689 1.00 1.00 O ATOM 0 H GLU A 41 -15.680 -8.077 3.362 1.00 1.00 H new ATOM 0 HA GLU A 41 -13.563 -9.998 3.175 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -16.224 -9.803 4.107 1.00 1.00 H new ATOM 0 HB3 GLU A 41 -16.327 -10.945 2.781 1.00 1.00 H new ATOM 0 HG2 GLU A 41 -14.561 -12.332 3.838 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -14.457 -11.190 5.164 1.00 1.00 H new ATOM 559 N ARG A 42 -15.326 -9.416 0.432 1.00 1.00 N ATOM 560 CA ARG A 42 -15.427 -9.595 -1.045 1.00 1.00 C ATOM 561 C ARG A 42 -14.267 -8.895 -1.812 1.00 1.00 C ATOM 562 O ARG A 42 -13.837 -9.423 -2.843 1.00 1.00 O ATOM 563 CB ARG A 42 -16.777 -9.082 -1.592 1.00 1.00 C ATOM 564 CG ARG A 42 -17.970 -10.017 -1.349 1.00 1.00 C ATOM 565 CD ARG A 42 -19.272 -9.482 -1.970 1.00 1.00 C ATOM 566 NE ARG A 42 -19.359 -9.740 -3.439 1.00 1.00 N ATOM 567 CZ ARG A 42 -20.375 -9.383 -4.293 1.00 1.00 C ATOM 568 NH1 ARG A 42 -21.468 -8.692 -3.910 1.00 1.00 N ATOM 569 NH2 ARG A 42 -20.276 -9.732 -5.569 1.00 1.00 N ATOM 0 H ARG A 42 -15.918 -8.661 0.778 1.00 1.00 H new ATOM 0 HA ARG A 42 -15.354 -10.669 -1.216 1.00 1.00 H new ATOM 0 HB2 ARG A 42 -16.993 -8.115 -1.137 1.00 1.00 H new ATOM 0 HB3 ARG A 42 -16.678 -8.914 -2.664 1.00 1.00 H new ATOM 0 HG2 ARG A 42 -17.749 -10.999 -1.766 1.00 1.00 H new ATOM 0 HG3 ARG A 42 -18.111 -10.151 -0.276 1.00 1.00 H new ATOM 0 HD2 ARG A 42 -20.124 -9.946 -1.473 1.00 1.00 H new ATOM 0 HD3 ARG A 42 -19.342 -8.409 -1.789 1.00 1.00 H new ATOM 0 HE ARG A 42 -18.573 -10.239 -3.857 1.00 1.00 H new ATOM 0 HH11 ARG A 42 -21.574 -8.404 -2.937 1.00 1.00 H new ATOM 0 HH12 ARG A 42 -22.188 -8.457 -4.593 1.00 1.00 H new ATOM 0 HH21 ARG A 42 -19.461 -10.252 -5.894 1.00 1.00 H new ATOM 0 HH22 ARG A 42 -21.015 -9.480 -6.225 1.00 1.00 H new ATOM 583 N PHE A 43 -13.768 -7.709 -1.278 1.00 1.00 N ATOM 584 CA PHE A 43 -12.648 -6.895 -1.878 1.00 1.00 C ATOM 585 C PHE A 43 -11.254 -7.572 -1.714 1.00 1.00 C ATOM 586 O PHE A 43 -10.487 -7.614 -2.684 1.00 1.00 O ATOM 587 CB PHE A 43 -12.637 -5.453 -1.296 1.00 1.00 C ATOM 588 CG PHE A 43 -12.174 -4.357 -2.258 1.00 1.00 C ATOM 589 CD1 PHE A 43 -10.818 -4.077 -2.441 1.00 1.00 C ATOM 590 CD2 PHE A 43 -13.104 -3.599 -2.965 1.00 1.00 C ATOM 591 CE1 PHE A 43 -10.411 -3.074 -3.304 1.00 1.00 C ATOM 592 CE2 PHE A 43 -12.696 -2.592 -3.824 1.00 1.00 C ATOM 593 CZ PHE A 43 -11.349 -2.331 -3.993 1.00 1.00 C ATOM 0 H PHE A 43 -14.138 -7.300 -0.420 1.00 1.00 H new ATOM 0 HA PHE A 43 -12.843 -6.838 -2.949 1.00 1.00 H new ATOM 0 HB2 PHE A 43 -13.643 -5.210 -0.954 1.00 1.00 H new ATOM 0 HB3 PHE A 43 -11.990 -5.439 -0.419 1.00 1.00 H new ATOM 0 HD1 PHE A 43 -10.078 -4.650 -1.903 1.00 1.00 H new ATOM 0 HD2 PHE A 43 -14.158 -3.799 -2.842 1.00 1.00 H new ATOM 0 HE1 PHE A 43 -9.359 -2.872 -3.439 1.00 1.00 H new ATOM 0 HE2 PHE A 43 -13.430 -2.011 -4.362 1.00 1.00 H new ATOM 0 HZ PHE A 43 -11.031 -1.546 -4.663 1.00 1.00 H new ATOM 603 N LEU A 44 -10.971 -8.121 -0.479 1.00 1.00 N ATOM 604 CA LEU A 44 -9.705 -8.858 -0.121 1.00 1.00 C ATOM 605 C LEU A 44 -9.594 -10.251 -0.811 1.00 1.00 C ATOM 606 O LEU A 44 -8.477 -10.717 -1.095 1.00 1.00 O ATOM 607 CB LEU A 44 -9.603 -9.026 1.404 1.00 1.00 C ATOM 608 CG LEU A 44 -9.012 -7.829 2.165 1.00 1.00 C ATOM 609 CD1 LEU A 44 -9.831 -7.516 3.410 1.00 1.00 C ATOM 610 CD2 LEU A 44 -7.564 -8.106 2.547 1.00 1.00 C ATOM 0 H LEU A 44 -11.625 -8.062 0.302 1.00 1.00 H new ATOM 0 HA LEU A 44 -8.877 -8.251 -0.489 1.00 1.00 H new ATOM 0 HB2 LEU A 44 -10.600 -9.227 1.797 1.00 1.00 H new ATOM 0 HB3 LEU A 44 -8.994 -9.905 1.615 1.00 1.00 H new ATOM 0 HG LEU A 44 -9.045 -6.961 1.506 1.00 1.00 H new ATOM 0 HD11 LEU A 44 -9.391 -6.665 3.930 1.00 1.00 H new ATOM 0 HD12 LEU A 44 -10.854 -7.276 3.121 1.00 1.00 H new ATOM 0 HD13 LEU A 44 -9.834 -8.383 4.071 1.00 1.00 H new ATOM 0 HD21 LEU A 44 -7.159 -7.249 3.085 1.00 1.00 H new ATOM 0 HD22 LEU A 44 -7.518 -8.989 3.184 1.00 1.00 H new ATOM 0 HD23 LEU A 44 -6.976 -8.278 1.645 1.00 1.00 H new ATOM 622 N ALA A 45 -10.790 -10.883 -1.041 1.00 1.00 N ATOM 623 CA ALA A 45 -10.953 -12.190 -1.735 1.00 1.00 C ATOM 624 C ALA A 45 -10.940 -12.059 -3.285 1.00 1.00 C ATOM 625 O ALA A 45 -10.576 -13.028 -3.969 1.00 1.00 O ATOM 626 CB ALA A 45 -12.245 -12.850 -1.292 1.00 1.00 C ATOM 0 H ALA A 45 -11.679 -10.484 -0.740 1.00 1.00 H new ATOM 0 HA ALA A 45 -10.097 -12.805 -1.457 1.00 1.00 H new ATOM 0 HB1 ALA A 45 -12.359 -13.806 -1.803 1.00 1.00 H new ATOM 0 HB2 ALA A 45 -12.218 -13.015 -0.215 1.00 1.00 H new ATOM 0 HB3 ALA A 45 -13.087 -12.204 -1.539 1.00 1.00 H new ATOM 632 N GLN A 46 -11.350 -10.847 -3.813 1.00 1.00 N ATOM 633 CA GLN A 46 -11.365 -10.512 -5.272 1.00 1.00 C ATOM 634 C GLN A 46 -9.965 -10.135 -5.810 1.00 1.00 C ATOM 635 O GLN A 46 -9.633 -10.540 -6.922 1.00 1.00 O ATOM 636 CB GLN A 46 -12.349 -9.366 -5.580 1.00 1.00 C ATOM 637 CG GLN A 46 -13.755 -9.825 -6.014 1.00 1.00 C ATOM 638 CD GLN A 46 -13.890 -10.002 -7.526 1.00 1.00 C ATOM 639 OE1 GLN A 46 -13.693 -11.097 -8.053 1.00 1.00 O ATOM 640 NE2 GLN A 46 -14.227 -8.922 -8.224 1.00 1.00 N ATOM 0 H GLN A 46 -11.678 -10.080 -3.226 1.00 1.00 H new ATOM 0 HA GLN A 46 -11.694 -11.419 -5.779 1.00 1.00 H new ATOM 0 HB2 GLN A 46 -12.444 -8.738 -4.694 1.00 1.00 H new ATOM 0 HB3 GLN A 46 -11.925 -8.743 -6.368 1.00 1.00 H new ATOM 0 HG2 GLN A 46 -13.990 -10.769 -5.522 1.00 1.00 H new ATOM 0 HG3 GLN A 46 -14.490 -9.096 -5.673 1.00 1.00 H new ATOM 0 HE21 GLN A 46 -14.381 -8.034 -7.747 1.00 1.00 H new ATOM 0 HE22 GLN A 46 -14.332 -8.982 -9.237 1.00 1.00 H new ATOM 649 N VAL A 47 -9.146 -9.385 -4.978 1.00 1.00 N ATOM 650 CA VAL A 47 -7.723 -8.942 -5.302 1.00 1.00 C ATOM 651 C VAL A 47 -6.767 -10.205 -5.342 1.00 1.00 C ATOM 652 O VAL A 47 -5.886 -10.276 -6.215 1.00 1.00 O ATOM 653 CB VAL A 47 -7.194 -7.769 -4.309 1.00 1.00 C ATOM 654 CG1 VAL A 47 -5.742 -7.281 -4.580 1.00 1.00 C ATOM 655 CG2 VAL A 47 -8.084 -6.518 -4.365 1.00 1.00 C ATOM 0 H VAL A 47 -9.455 -9.069 -4.059 1.00 1.00 H new ATOM 0 HA VAL A 47 -7.718 -8.488 -6.293 1.00 1.00 H new ATOM 0 HB VAL A 47 -7.228 -8.252 -3.332 1.00 1.00 H new ATOM 0 HG11 VAL A 47 -5.482 -6.499 -3.867 1.00 1.00 H new ATOM 0 HG12 VAL A 47 -5.051 -8.117 -4.470 1.00 1.00 H new ATOM 0 HG13 VAL A 47 -5.674 -6.885 -5.593 1.00 1.00 H new ATOM 0 HG21 VAL A 47 -7.692 -5.762 -3.685 1.00 1.00 H new ATOM 0 HG22 VAL A 47 -8.093 -6.123 -5.381 1.00 1.00 H new ATOM 0 HG23 VAL A 47 -9.100 -6.780 -4.068 1.00 1.00 H new ATOM 665 N GLU A 48 -6.982 -11.164 -4.378 1.00 1.00 N ATOM 666 CA GLU A 48 -6.224 -12.464 -4.249 1.00 1.00 C ATOM 667 C GLU A 48 -6.575 -13.496 -5.375 1.00 1.00 C ATOM 668 O GLU A 48 -5.749 -14.376 -5.678 1.00 1.00 O ATOM 669 CB GLU A 48 -6.476 -13.114 -2.866 1.00 1.00 C ATOM 670 CG GLU A 48 -5.825 -12.385 -1.680 1.00 1.00 C ATOM 671 CD GLU A 48 -5.878 -13.183 -0.390 1.00 1.00 C ATOM 672 OE1 GLU A 48 -6.871 -13.045 0.353 1.00 1.00 O ATOM 673 OE2 GLU A 48 -4.921 -13.940 -0.123 1.00 1.00 O ATOM 0 H GLU A 48 -7.697 -11.055 -3.658 1.00 1.00 H new ATOM 0 HA GLU A 48 -5.170 -12.206 -4.355 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -7.551 -13.166 -2.696 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -6.107 -14.139 -2.890 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -4.785 -12.166 -1.922 1.00 1.00 H new ATOM 0 HG3 GLU A 48 -6.326 -11.429 -1.530 1.00 1.00 H new ATOM 680 N GLU A 49 -7.805 -13.350 -5.957 1.00 1.00 N ATOM 681 CA GLU A 49 -8.342 -14.206 -7.058 1.00 1.00 C ATOM 682 C GLU A 49 -8.178 -13.562 -8.473 1.00 1.00 C ATOM 683 O GLU A 49 -8.301 -14.286 -9.487 1.00 1.00 O ATOM 684 CB GLU A 49 -9.831 -14.540 -6.805 1.00 1.00 C ATOM 685 CG GLU A 49 -10.072 -15.595 -5.728 1.00 1.00 C ATOM 686 CD GLU A 49 -11.536 -15.959 -5.581 1.00 1.00 C ATOM 687 OE1 GLU A 49 -12.240 -15.282 -4.803 1.00 1.00 O ATOM 688 OE2 GLU A 49 -11.978 -16.920 -6.243 1.00 1.00 O ATOM 0 H GLU A 49 -8.459 -12.623 -5.668 1.00 1.00 H new ATOM 0 HA GLU A 49 -7.749 -15.121 -7.052 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -10.352 -13.625 -6.522 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -10.276 -14.884 -7.738 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -9.502 -16.492 -5.970 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -9.696 -15.226 -4.774 1.00 1.00 H new ATOM 695 N PHE A 50 -7.898 -12.216 -8.525 1.00 1.00 N ATOM 696 CA PHE A 50 -7.703 -11.443 -9.777 1.00 1.00 C ATOM 697 C PHE A 50 -6.224 -11.361 -10.188 1.00 1.00 C ATOM 698 O PHE A 50 -5.328 -11.385 -9.321 1.00 1.00 O ATOM 699 CB PHE A 50 -8.282 -10.015 -9.627 1.00 1.00 C ATOM 700 CG PHE A 50 -9.550 -9.745 -10.414 1.00 1.00 C ATOM 701 CD1 PHE A 50 -9.486 -9.251 -11.714 1.00 1.00 C ATOM 702 CD2 PHE A 50 -10.805 -9.967 -9.853 1.00 1.00 C ATOM 703 CE1 PHE A 50 -10.638 -8.990 -12.432 1.00 1.00 C ATOM 704 CE2 PHE A 50 -11.958 -9.706 -10.570 1.00 1.00 C ATOM 705 CZ PHE A 50 -11.873 -9.218 -11.861 1.00 1.00 C ATOM 0 H PHE A 50 -7.803 -11.645 -7.685 1.00 1.00 H new ATOM 0 HA PHE A 50 -8.237 -11.975 -10.564 1.00 1.00 H new ATOM 0 HB2 PHE A 50 -8.483 -9.831 -8.572 1.00 1.00 H new ATOM 0 HB3 PHE A 50 -7.522 -9.298 -9.937 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -8.523 -9.069 -12.168 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -10.879 -10.348 -8.845 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -10.571 -8.608 -13.440 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -12.925 -9.883 -10.122 1.00 1.00 H new ATOM 0 HZ PHE A 50 -12.773 -9.015 -12.422 1.00 1.00 H new ATOM 715 N VAL A 51 -6.013 -11.242 -11.532 1.00 1.00 N ATOM 716 CA VAL A 51 -4.677 -11.131 -12.174 1.00 1.00 C ATOM 717 C VAL A 51 -4.403 -9.623 -12.444 1.00 1.00 C ATOM 718 O VAL A 51 -5.312 -8.871 -12.853 1.00 1.00 O ATOM 719 CB VAL A 51 -4.550 -12.039 -13.504 1.00 1.00 C ATOM 720 CG1 VAL A 51 -3.233 -11.865 -14.279 1.00 1.00 C ATOM 721 CG2 VAL A 51 -4.634 -13.534 -13.194 1.00 1.00 C ATOM 0 H VAL A 51 -6.780 -11.221 -12.205 1.00 1.00 H new ATOM 0 HA VAL A 51 -3.913 -11.525 -11.504 1.00 1.00 H new ATOM 0 HB VAL A 51 -5.387 -11.689 -14.108 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -3.238 -12.513 -15.155 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -3.132 -10.827 -14.596 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -2.394 -12.131 -13.636 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -4.544 -14.103 -14.119 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -3.826 -13.811 -12.517 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -5.592 -13.755 -12.724 1.00 1.00 H new ATOM 731 N PHE A 52 -3.127 -9.257 -12.212 1.00 1.00 N ATOM 732 CA PHE A 52 -2.617 -7.880 -12.388 1.00 1.00 C ATOM 733 C PHE A 52 -1.363 -7.906 -13.264 1.00 1.00 C ATOM 734 O PHE A 52 -0.574 -8.873 -13.203 1.00 1.00 O ATOM 735 CB PHE A 52 -2.318 -7.189 -11.023 1.00 1.00 C ATOM 736 CG PHE A 52 -3.511 -7.052 -10.076 1.00 1.00 C ATOM 737 CD1 PHE A 52 -4.396 -5.981 -10.175 1.00 1.00 C ATOM 738 CD2 PHE A 52 -3.742 -8.010 -9.097 1.00 1.00 C ATOM 739 CE1 PHE A 52 -5.478 -5.876 -9.319 1.00 1.00 C ATOM 740 CE2 PHE A 52 -4.822 -7.904 -8.239 1.00 1.00 C ATOM 741 CZ PHE A 52 -5.690 -6.838 -8.353 1.00 1.00 C ATOM 0 H PHE A 52 -2.414 -9.914 -11.894 1.00 1.00 H new ATOM 0 HA PHE A 52 -3.393 -7.293 -12.879 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -1.536 -7.753 -10.514 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -1.917 -6.195 -11.220 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -4.236 -5.224 -10.928 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -3.069 -8.850 -9.004 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -6.157 -5.041 -9.407 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -4.985 -8.655 -7.481 1.00 1.00 H new ATOM 0 HZ PHE A 52 -6.536 -6.756 -7.686 1.00 1.00 H new ATOM 751 N LYS A 53 -1.204 -6.831 -14.067 1.00 1.00 N ATOM 752 CA LYS A 53 -0.076 -6.663 -15.010 1.00 1.00 C ATOM 753 C LYS A 53 0.934 -5.649 -14.488 1.00 1.00 C ATOM 754 O LYS A 53 0.538 -4.622 -13.896 1.00 1.00 O ATOM 755 CB LYS A 53 -0.584 -6.224 -16.390 1.00 1.00 C ATOM 756 CG LYS A 53 -1.069 -7.368 -17.274 1.00 1.00 C ATOM 757 CD LYS A 53 -1.643 -6.854 -18.586 1.00 1.00 C ATOM 758 CE LYS A 53 -2.110 -7.992 -19.478 1.00 1.00 C ATOM 759 NZ LYS A 53 -2.687 -7.491 -20.756 1.00 1.00 N ATOM 0 H LYS A 53 -1.860 -6.050 -14.079 1.00 1.00 H new ATOM 0 HA LYS A 53 0.420 -7.629 -15.103 1.00 1.00 H new ATOM 0 HB2 LYS A 53 -1.400 -5.514 -16.255 1.00 1.00 H new ATOM 0 HB3 LYS A 53 0.216 -5.695 -16.907 1.00 1.00 H new ATOM 0 HG2 LYS A 53 -0.241 -8.047 -17.479 1.00 1.00 H new ATOM 0 HG3 LYS A 53 -1.829 -7.942 -16.744 1.00 1.00 H new ATOM 0 HD2 LYS A 53 -2.479 -6.186 -18.381 1.00 1.00 H new ATOM 0 HD3 LYS A 53 -0.888 -6.268 -19.109 1.00 1.00 H new ATOM 0 HE2 LYS A 53 -1.271 -8.654 -19.693 1.00 1.00 H new ATOM 0 HE3 LYS A 53 -2.857 -8.585 -18.950 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 -2.994 -8.297 -21.338 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 -3.503 -6.880 -20.552 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 -1.967 -6.946 -21.272 1.00 1.00 H new ATOM 773 N CYS A 54 2.243 -5.954 -14.738 1.00 1.00 N ATOM 774 CA CYS A 54 3.378 -5.100 -14.328 1.00 1.00 C ATOM 775 C CYS A 54 3.752 -4.065 -15.453 1.00 1.00 C ATOM 776 O CYS A 54 3.863 -4.500 -16.618 1.00 1.00 O ATOM 777 CB CYS A 54 4.621 -5.959 -13.956 1.00 1.00 C ATOM 778 SG CYS A 54 6.129 -4.988 -13.522 1.00 1.00 S ATOM 0 H CYS A 54 2.530 -6.800 -15.230 1.00 1.00 H new ATOM 0 HA CYS A 54 3.063 -4.546 -13.444 1.00 1.00 H new ATOM 0 HB2 CYS A 54 4.363 -6.600 -13.113 1.00 1.00 H new ATOM 0 HB3 CYS A 54 4.857 -6.614 -14.794 1.00 1.00 H new ATOM 0 HG CYS A 54 7.177 -5.752 -13.611 1.00 1.00 H new ATOM 783 N PRO A 55 3.932 -2.673 -15.144 1.00 1.00 N ATOM 784 CA PRO A 55 4.373 -1.662 -16.180 1.00 1.00 C ATOM 785 C PRO A 55 5.900 -1.764 -16.579 1.00 1.00 C ATOM 786 O PRO A 55 6.334 -1.111 -17.542 1.00 1.00 O ATOM 787 CB PRO A 55 4.062 -0.296 -15.506 1.00 1.00 C ATOM 788 CG PRO A 55 4.119 -0.541 -14.016 1.00 1.00 C ATOM 789 CD PRO A 55 3.665 -1.972 -13.816 1.00 1.00 C ATOM 0 HA PRO A 55 3.855 -1.822 -17.126 1.00 1.00 H new ATOM 0 HB2 PRO A 55 4.788 0.460 -15.805 1.00 1.00 H new ATOM 0 HB3 PRO A 55 3.079 0.071 -15.803 1.00 1.00 H new ATOM 0 HG2 PRO A 55 5.129 -0.394 -13.634 1.00 1.00 H new ATOM 0 HG3 PRO A 55 3.472 0.153 -13.480 1.00 1.00 H new ATOM 0 HD2 PRO A 55 4.214 -2.448 -13.004 1.00 1.00 H new ATOM 0 HD3 PRO A 55 2.608 -2.016 -13.555 1.00 1.00 H new ATOM 797 N VAL A 56 6.649 -2.598 -15.797 1.00 1.00 N ATOM 798 CA VAL A 56 8.117 -2.825 -15.939 1.00 1.00 C ATOM 799 C VAL A 56 8.372 -4.174 -16.687 1.00 1.00 C ATOM 800 O VAL A 56 9.105 -4.171 -17.690 1.00 1.00 O ATOM 801 CB VAL A 56 8.918 -2.803 -14.532 1.00 1.00 C ATOM 802 CG1 VAL A 56 10.408 -2.444 -14.699 1.00 1.00 C ATOM 803 CG2 VAL A 56 8.338 -1.841 -13.468 1.00 1.00 C ATOM 0 H VAL A 56 6.239 -3.140 -15.037 1.00 1.00 H new ATOM 0 HA VAL A 56 8.507 -1.990 -16.521 1.00 1.00 H new ATOM 0 HB VAL A 56 8.800 -3.828 -14.179 1.00 1.00 H new ATOM 0 HG11 VAL A 56 10.894 -2.445 -13.723 1.00 1.00 H new ATOM 0 HG12 VAL A 56 10.889 -3.179 -15.344 1.00 1.00 H new ATOM 0 HG13 VAL A 56 10.496 -1.454 -15.147 1.00 1.00 H new ATOM 0 HG21 VAL A 56 8.940 -1.896 -12.561 1.00 1.00 H new ATOM 0 HG22 VAL A 56 8.353 -0.821 -13.853 1.00 1.00 H new ATOM 0 HG23 VAL A 56 7.311 -2.128 -13.239 1.00 1.00 H new ATOM 813 N CYS A 57 7.763 -5.300 -16.174 1.00 1.00 N ATOM 814 CA CYS A 57 7.909 -6.663 -16.757 1.00 1.00 C ATOM 815 C CYS A 57 6.839 -6.950 -17.850 1.00 1.00 C ATOM 816 O CYS A 57 7.216 -7.330 -18.974 1.00 1.00 O ATOM 817 CB CYS A 57 7.870 -7.752 -15.645 1.00 1.00 C ATOM 818 SG CYS A 57 8.957 -7.452 -14.215 1.00 1.00 S ATOM 0 H CYS A 57 7.163 -5.276 -15.349 1.00 1.00 H new ATOM 0 HA CYS A 57 8.884 -6.700 -17.242 1.00 1.00 H new ATOM 0 HB2 CYS A 57 6.845 -7.844 -15.287 1.00 1.00 H new ATOM 0 HB3 CYS A 57 8.140 -8.710 -16.089 1.00 1.00 H new ATOM 0 HG CYS A 57 9.251 -6.187 -14.151 1.00 1.00 H new ATOM 823 N GLY A 58 5.532 -6.765 -17.483 1.00 1.00 N ATOM 824 CA GLY A 58 4.383 -7.005 -18.388 1.00 1.00 C ATOM 825 C GLY A 58 3.773 -8.420 -18.244 1.00 1.00 C ATOM 826 O GLY A 58 2.892 -8.788 -19.037 1.00 1.00 O ATOM 0 H GLY A 58 5.257 -6.447 -16.554 1.00 1.00 H new ATOM 0 HA2 GLY A 58 3.611 -6.262 -18.188 1.00 1.00 H new ATOM 0 HA3 GLY A 58 4.705 -6.859 -19.419 1.00 1.00 H new ATOM 830 N GLU A 59 4.273 -9.192 -17.222 1.00 1.00 N ATOM 831 CA GLU A 59 3.843 -10.572 -16.875 1.00 1.00 C ATOM 832 C GLU A 59 2.613 -10.586 -15.916 1.00 1.00 C ATOM 833 O GLU A 59 2.274 -9.544 -15.319 1.00 1.00 O ATOM 834 CB GLU A 59 5.046 -11.333 -16.257 1.00 1.00 C ATOM 835 CG GLU A 59 5.985 -11.960 -17.285 1.00 1.00 C ATOM 836 CD GLU A 59 7.125 -12.734 -16.646 1.00 1.00 C ATOM 837 OE1 GLU A 59 8.172 -12.117 -16.352 1.00 1.00 O ATOM 838 OE2 GLU A 59 6.971 -13.955 -16.442 1.00 1.00 O ATOM 0 H GLU A 59 5.009 -8.850 -16.604 1.00 1.00 H new ATOM 0 HA GLU A 59 3.520 -11.074 -17.787 1.00 1.00 H new ATOM 0 HB2 GLU A 59 5.616 -10.644 -15.634 1.00 1.00 H new ATOM 0 HB3 GLU A 59 4.667 -12.117 -15.601 1.00 1.00 H new ATOM 0 HG2 GLU A 59 5.415 -12.628 -17.931 1.00 1.00 H new ATOM 0 HG3 GLU A 59 6.396 -11.176 -17.921 1.00 1.00 H new ATOM 845 N GLU A 60 1.968 -11.790 -15.786 1.00 1.00 N ATOM 846 CA GLU A 60 0.762 -12.029 -14.942 1.00 1.00 C ATOM 847 C GLU A 60 1.166 -12.501 -13.538 1.00 1.00 C ATOM 848 O GLU A 60 2.032 -13.386 -13.395 1.00 1.00 O ATOM 849 CB GLU A 60 -0.169 -13.075 -15.603 1.00 1.00 C ATOM 850 CG GLU A 60 -0.896 -12.589 -16.869 1.00 1.00 C ATOM 851 CD GLU A 60 -1.877 -13.608 -17.419 1.00 1.00 C ATOM 852 OE1 GLU A 60 -3.057 -13.576 -17.011 1.00 1.00 O ATOM 853 OE2 GLU A 60 -1.467 -14.433 -18.263 1.00 1.00 O ATOM 0 H GLU A 60 2.281 -12.629 -16.274 1.00 1.00 H new ATOM 0 HA GLU A 60 0.223 -11.086 -14.852 1.00 1.00 H new ATOM 0 HB2 GLU A 60 0.421 -13.956 -15.856 1.00 1.00 H new ATOM 0 HB3 GLU A 60 -0.914 -13.390 -14.872 1.00 1.00 H new ATOM 0 HG2 GLU A 60 -1.429 -11.665 -16.643 1.00 1.00 H new ATOM 0 HG3 GLU A 60 -0.159 -12.352 -17.636 1.00 1.00 H new ATOM 860 N PHE A 61 0.507 -11.880 -12.521 1.00 1.00 N ATOM 861 CA PHE A 61 0.712 -12.148 -11.067 1.00 1.00 C ATOM 862 C PHE A 61 -0.643 -12.059 -10.315 1.00 1.00 C ATOM 863 O PHE A 61 -1.560 -11.335 -10.764 1.00 1.00 O ATOM 864 CB PHE A 61 1.835 -11.221 -10.427 1.00 1.00 C ATOM 865 CG PHE A 61 1.635 -9.707 -10.500 1.00 1.00 C ATOM 866 CD1 PHE A 61 2.038 -8.987 -11.614 1.00 1.00 C ATOM 867 CD2 PHE A 61 1.039 -9.025 -9.449 1.00 1.00 C ATOM 868 CE1 PHE A 61 1.850 -7.618 -11.676 1.00 1.00 C ATOM 869 CE2 PHE A 61 0.851 -7.657 -9.507 1.00 1.00 C ATOM 870 CZ PHE A 61 1.254 -6.953 -10.622 1.00 1.00 C ATOM 0 H PHE A 61 -0.198 -11.163 -12.692 1.00 1.00 H new ATOM 0 HA PHE A 61 1.089 -13.165 -10.959 1.00 1.00 H new ATOM 0 HB2 PHE A 61 1.938 -11.495 -9.377 1.00 1.00 H new ATOM 0 HB3 PHE A 61 2.782 -11.458 -10.912 1.00 1.00 H new ATOM 0 HD1 PHE A 61 2.504 -9.500 -12.442 1.00 1.00 H new ATOM 0 HD2 PHE A 61 0.718 -9.570 -8.574 1.00 1.00 H new ATOM 0 HE1 PHE A 61 2.169 -7.069 -12.549 1.00 1.00 H new ATOM 0 HE2 PHE A 61 0.389 -7.140 -8.679 1.00 1.00 H new ATOM 0 HZ PHE A 61 1.104 -5.885 -10.671 1.00 1.00 H new ATOM 880 N TYR A 62 -0.728 -12.789 -9.182 1.00 1.00 N ATOM 881 CA TYR A 62 -1.935 -12.858 -8.333 1.00 1.00 C ATOM 882 C TYR A 62 -1.776 -12.069 -7.024 1.00 1.00 C ATOM 883 O TYR A 62 -0.645 -11.875 -6.547 1.00 1.00 O ATOM 884 CB TYR A 62 -2.251 -14.343 -8.038 1.00 1.00 C ATOM 885 CG TYR A 62 -3.245 -14.984 -9.003 1.00 1.00 C ATOM 886 CD1 TYR A 62 -2.825 -15.586 -10.193 1.00 1.00 C ATOM 887 CD2 TYR A 62 -4.608 -14.995 -8.715 1.00 1.00 C ATOM 888 CE1 TYR A 62 -3.733 -16.169 -11.057 1.00 1.00 C ATOM 889 CE2 TYR A 62 -5.517 -15.577 -9.578 1.00 1.00 C ATOM 890 CZ TYR A 62 -5.075 -16.160 -10.746 1.00 1.00 C ATOM 891 OH TYR A 62 -5.981 -16.739 -11.606 1.00 1.00 O ATOM 0 H TYR A 62 0.046 -13.351 -8.829 1.00 1.00 H new ATOM 0 HA TYR A 62 -2.762 -12.396 -8.873 1.00 1.00 H new ATOM 0 HB2 TYR A 62 -1.321 -14.911 -8.064 1.00 1.00 H new ATOM 0 HB3 TYR A 62 -2.645 -14.423 -7.025 1.00 1.00 H new ATOM 0 HD1 TYR A 62 -1.774 -15.596 -10.441 1.00 1.00 H new ATOM 0 HD2 TYR A 62 -4.961 -14.541 -7.801 1.00 1.00 H new ATOM 0 HE1 TYR A 62 -3.392 -16.630 -11.972 1.00 1.00 H new ATOM 0 HE2 TYR A 62 -6.570 -15.575 -9.338 1.00 1.00 H new ATOM 0 HH TYR A 62 -6.885 -16.648 -11.239 1.00 1.00 H new ATOM 901 N GLY A 63 -2.948 -11.613 -6.461 1.00 1.00 N ATOM 902 CA GLY A 63 -3.021 -10.862 -5.169 1.00 1.00 C ATOM 903 C GLY A 63 -2.870 -11.749 -3.900 1.00 1.00 C ATOM 904 O GLY A 63 -2.907 -11.223 -2.776 1.00 1.00 O ATOM 0 H GLY A 63 -3.860 -11.759 -6.894 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -2.240 -10.101 -5.161 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -3.976 -10.339 -5.120 1.00 1.00 H new ATOM 908 N LYS A 64 -2.717 -13.095 -4.137 1.00 1.00 N ATOM 909 CA LYS A 64 -2.505 -14.132 -3.089 1.00 1.00 C ATOM 910 C LYS A 64 -0.986 -14.273 -2.714 1.00 1.00 C ATOM 911 O LYS A 64 -0.670 -14.831 -1.648 1.00 1.00 O ATOM 912 CB LYS A 64 -3.087 -15.489 -3.548 1.00 1.00 C ATOM 913 CG LYS A 64 -3.777 -16.292 -2.434 1.00 1.00 C ATOM 914 CD LYS A 64 -4.460 -17.543 -2.965 1.00 1.00 C ATOM 915 CE LYS A 64 -5.131 -18.320 -1.841 1.00 1.00 C ATOM 916 NZ LYS A 64 -5.803 -19.555 -2.334 1.00 1.00 N ATOM 0 H LYS A 64 -2.739 -13.486 -5.079 1.00 1.00 H new ATOM 0 HA LYS A 64 -3.033 -13.812 -2.191 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -3.805 -15.311 -4.349 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -2.283 -16.092 -3.969 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -3.040 -16.574 -1.682 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -4.514 -15.661 -1.937 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -5.202 -17.266 -3.713 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -3.727 -18.178 -3.463 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -4.386 -18.588 -1.092 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -5.864 -17.682 -1.348 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -6.246 -20.052 -1.535 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -6.532 -19.299 -3.030 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -5.100 -20.177 -2.782 1.00 1.00 H new ATOM 930 N THR A 65 -0.090 -13.746 -3.608 1.00 1.00 N ATOM 931 CA THR A 65 1.395 -13.743 -3.433 1.00 1.00 C ATOM 932 C THR A 65 1.896 -12.389 -2.814 1.00 1.00 C ATOM 933 O THR A 65 3.118 -12.205 -2.602 1.00 1.00 O ATOM 934 CB THR A 65 2.154 -14.019 -4.783 1.00 1.00 C ATOM 935 OG1 THR A 65 1.650 -13.184 -5.829 1.00 1.00 O ATOM 936 CG2 THR A 65 2.059 -15.484 -5.222 1.00 1.00 C ATOM 0 H THR A 65 -0.386 -13.307 -4.480 1.00 1.00 H new ATOM 0 HA THR A 65 1.623 -14.556 -2.743 1.00 1.00 H new ATOM 0 HB THR A 65 3.203 -13.789 -4.596 1.00 1.00 H new ATOM 0 HG1 THR A 65 2.136 -13.370 -6.659 1.00 1.00 H new ATOM 0 HG21 THR A 65 2.600 -15.619 -6.159 1.00 1.00 H new ATOM 0 HG22 THR A 65 2.497 -16.123 -4.455 1.00 1.00 H new ATOM 0 HG23 THR A 65 1.013 -15.754 -5.365 1.00 1.00 H new ATOM 944 N LEU A 66 0.915 -11.474 -2.472 1.00 1.00 N ATOM 945 CA LEU A 66 1.156 -10.127 -1.870 1.00 1.00 C ATOM 946 C LEU A 66 1.413 -10.220 -0.314 1.00 1.00 C ATOM 947 O LEU A 66 0.887 -11.178 0.288 1.00 1.00 O ATOM 948 CB LEU A 66 -0.076 -9.218 -2.113 1.00 1.00 C ATOM 949 CG LEU A 66 0.138 -7.922 -2.923 1.00 1.00 C ATOM 950 CD1 LEU A 66 -0.428 -8.053 -4.333 1.00 1.00 C ATOM 951 CD2 LEU A 66 -0.524 -6.753 -2.210 1.00 1.00 C ATOM 0 H LEU A 66 -0.076 -11.667 -2.614 1.00 1.00 H new ATOM 0 HA LEU A 66 2.043 -9.709 -2.346 1.00 1.00 H new ATOM 0 HB2 LEU A 66 -0.835 -9.811 -2.623 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -0.486 -8.943 -1.142 1.00 1.00 H new ATOM 0 HG LEU A 66 1.210 -7.744 -3.001 1.00 1.00 H new ATOM 0 HD11 LEU A 66 -0.262 -7.124 -4.879 1.00 1.00 H new ATOM 0 HD12 LEU A 66 0.071 -8.872 -4.851 1.00 1.00 H new ATOM 0 HD13 LEU A 66 -1.498 -8.256 -4.278 1.00 1.00 H new ATOM 0 HD21 LEU A 66 -0.370 -5.841 -2.786 1.00 1.00 H new ATOM 0 HD22 LEU A 66 -1.593 -6.944 -2.113 1.00 1.00 H new ATOM 0 HD23 LEU A 66 -0.085 -6.635 -1.219 1.00 1.00 H new ATOM 963 N PRO A 67 2.205 -9.248 0.408 1.00 1.00 N ATOM 964 CA PRO A 67 2.456 -9.324 1.906 1.00 1.00 C ATOM 965 C PRO A 67 1.197 -9.180 2.784 1.00 1.00 C ATOM 966 O PRO A 67 0.247 -8.478 2.394 1.00 1.00 O ATOM 967 CB PRO A 67 3.409 -8.146 2.193 1.00 1.00 C ATOM 968 CG PRO A 67 4.040 -7.845 0.879 1.00 1.00 C ATOM 969 CD PRO A 67 2.943 -8.045 -0.130 1.00 1.00 C ATOM 0 HA PRO A 67 2.851 -10.309 2.155 1.00 1.00 H new ATOM 0 HB2 PRO A 67 2.867 -7.283 2.580 1.00 1.00 H new ATOM 0 HB3 PRO A 67 4.157 -8.414 2.940 1.00 1.00 H new ATOM 0 HG2 PRO A 67 4.424 -6.825 0.849 1.00 1.00 H new ATOM 0 HG3 PRO A 67 4.883 -8.508 0.684 1.00 1.00 H new ATOM 0 HD2 PRO A 67 2.295 -7.172 -0.200 1.00 1.00 H new ATOM 0 HD3 PRO A 67 3.341 -8.228 -1.128 1.00 1.00 H new ATOM 977 N ARG A 68 1.239 -9.849 3.983 1.00 1.00 N ATOM 978 CA ARG A 68 0.141 -9.862 5.019 1.00 1.00 C ATOM 979 C ARG A 68 -0.153 -8.479 5.680 1.00 1.00 C ATOM 980 O ARG A 68 -1.242 -8.294 6.261 1.00 1.00 O ATOM 981 CB ARG A 68 0.441 -10.903 6.109 1.00 1.00 C ATOM 982 CG ARG A 68 -0.005 -12.315 5.755 1.00 1.00 C ATOM 983 CD ARG A 68 0.277 -13.283 6.896 1.00 1.00 C ATOM 984 NE ARG A 68 -0.207 -14.658 6.604 1.00 1.00 N ATOM 985 CZ ARG A 68 -0.452 -15.662 7.508 1.00 1.00 C ATOM 986 NH1 ARG A 68 -0.313 -15.518 8.842 1.00 1.00 N ATOM 987 NH2 ARG A 68 -0.860 -16.836 7.049 1.00 1.00 N ATOM 0 H ARG A 68 2.048 -10.404 4.263 1.00 1.00 H new ATOM 0 HA ARG A 68 -0.762 -10.129 4.470 1.00 1.00 H new ATOM 0 HB2 ARG A 68 1.513 -10.910 6.305 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -0.050 -10.599 7.033 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -1.071 -12.316 5.528 1.00 1.00 H new ATOM 0 HG3 ARG A 68 0.513 -12.648 4.855 1.00 1.00 H new ATOM 0 HD2 ARG A 68 1.350 -13.311 7.088 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -0.200 -12.918 7.805 1.00 1.00 H new ATOM 0 HE ARG A 68 -0.376 -14.880 5.623 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -0.010 -14.624 9.230 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -0.511 -16.303 9.463 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -0.985 -16.976 6.046 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -1.049 -17.600 7.698 1.00 1.00 H new ATOM 1001 N ARG A 69 0.823 -7.514 5.553 1.00 1.00 N ATOM 1002 CA ARG A 69 0.728 -6.118 6.091 1.00 1.00 C ATOM 1003 C ARG A 69 -0.070 -5.189 5.131 1.00 1.00 C ATOM 1004 O ARG A 69 -0.759 -4.267 5.599 1.00 1.00 O ATOM 1005 CB ARG A 69 2.130 -5.538 6.329 1.00 1.00 C ATOM 1006 CG ARG A 69 2.811 -6.030 7.616 1.00 1.00 C ATOM 1007 CD ARG A 69 4.248 -5.507 7.761 1.00 1.00 C ATOM 1008 NE ARG A 69 4.312 -4.067 8.157 1.00 1.00 N ATOM 1009 CZ ARG A 69 5.433 -3.290 8.291 1.00 1.00 C ATOM 1010 NH1 ARG A 69 6.686 -3.747 8.095 1.00 1.00 N ATOM 1011 NH2 ARG A 69 5.278 -2.020 8.633 1.00 1.00 N ATOM 0 H ARG A 69 1.703 -7.692 5.069 1.00 1.00 H new ATOM 0 HA ARG A 69 0.193 -6.168 7.039 1.00 1.00 H new ATOM 0 HB2 ARG A 69 2.763 -5.790 5.478 1.00 1.00 H new ATOM 0 HB3 ARG A 69 2.059 -4.451 6.363 1.00 1.00 H new ATOM 0 HG2 ARG A 69 2.224 -5.712 8.478 1.00 1.00 H new ATOM 0 HG3 ARG A 69 2.823 -7.120 7.623 1.00 1.00 H new ATOM 0 HD2 ARG A 69 4.773 -6.106 8.506 1.00 1.00 H new ATOM 0 HD3 ARG A 69 4.774 -5.641 6.816 1.00 1.00 H new ATOM 0 HE ARG A 69 3.420 -3.611 8.349 1.00 1.00 H new ATOM 0 HH11 ARG A 69 6.838 -4.721 7.832 1.00 1.00 H new ATOM 0 HH12 ARG A 69 7.482 -3.119 8.210 1.00 1.00 H new ATOM 0 HH21 ARG A 69 4.343 -1.644 8.789 1.00 1.00 H new ATOM 0 HH22 ARG A 69 6.094 -1.417 8.740 1.00 1.00 H new ATOM 1025 N GLU A 70 0.057 -5.463 3.779 1.00 1.00 N ATOM 1026 CA GLU A 70 -0.664 -4.754 2.667 1.00 1.00 C ATOM 1027 C GLU A 70 -2.184 -5.093 2.612 1.00 1.00 C ATOM 1028 O GLU A 70 -2.982 -4.248 2.178 1.00 1.00 O ATOM 1029 CB GLU A 70 -0.020 -5.080 1.313 1.00 1.00 C ATOM 1030 CG GLU A 70 1.206 -4.226 0.973 1.00 1.00 C ATOM 1031 CD GLU A 70 1.728 -4.442 -0.445 1.00 1.00 C ATOM 1032 OE1 GLU A 70 1.013 -4.094 -1.415 1.00 1.00 O ATOM 1033 OE2 GLU A 70 2.863 -4.941 -0.585 1.00 1.00 O ATOM 0 H GLU A 70 0.676 -6.197 3.435 1.00 1.00 H new ATOM 0 HA GLU A 70 -0.574 -3.688 2.877 1.00 1.00 H new ATOM 0 HB2 GLU A 70 0.271 -6.130 1.306 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -0.766 -4.951 0.529 1.00 1.00 H new ATOM 0 HG2 GLU A 70 0.952 -3.174 1.101 1.00 1.00 H new ATOM 0 HG3 GLU A 70 2.003 -4.450 1.682 1.00 1.00 H new ATOM 1040 N ALA A 71 -2.548 -6.355 3.055 1.00 1.00 N ATOM 1041 CA ALA A 71 -3.958 -6.874 3.160 1.00 1.00 C ATOM 1042 C ALA A 71 -4.788 -6.125 4.251 1.00 1.00 C ATOM 1043 O ALA A 71 -5.985 -5.876 4.054 1.00 1.00 O ATOM 1044 CB ALA A 71 -3.944 -8.376 3.435 1.00 1.00 C ATOM 0 H ALA A 71 -1.855 -7.043 3.351 1.00 1.00 H new ATOM 0 HA ALA A 71 -4.447 -6.685 2.204 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -4.968 -8.742 3.509 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -3.433 -8.890 2.621 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -3.421 -8.570 4.371 1.00 1.00 H new ATOM 1050 N GLU A 72 -4.095 -5.756 5.387 1.00 1.00 N ATOM 1051 CA GLU A 72 -4.660 -4.959 6.534 1.00 1.00 C ATOM 1052 C GLU A 72 -4.891 -3.459 6.159 1.00 1.00 C ATOM 1053 O GLU A 72 -5.725 -2.785 6.785 1.00 1.00 O ATOM 1054 CB GLU A 72 -3.742 -5.056 7.764 1.00 1.00 C ATOM 1055 CG GLU A 72 -3.920 -6.336 8.578 1.00 1.00 C ATOM 1056 CD GLU A 72 -3.050 -6.365 9.821 1.00 1.00 C ATOM 1057 OE1 GLU A 72 -1.891 -6.819 9.724 1.00 1.00 O ATOM 1058 OE2 GLU A 72 -3.529 -5.932 10.889 1.00 1.00 O ATOM 0 H GLU A 72 -3.117 -6.009 5.529 1.00 1.00 H new ATOM 0 HA GLU A 72 -5.632 -5.392 6.771 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -2.705 -4.989 7.436 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -3.928 -4.199 8.411 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -4.966 -6.434 8.869 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -3.681 -7.196 7.952 1.00 1.00 H new ATOM 1065 N LYS A 73 -4.114 -2.977 5.125 1.00 1.00 N ATOM 1066 CA LYS A 73 -4.197 -1.610 4.520 1.00 1.00 C ATOM 1067 C LYS A 73 -5.444 -1.441 3.601 1.00 1.00 C ATOM 1068 O LYS A 73 -5.951 -0.318 3.446 1.00 1.00 O ATOM 1069 CB LYS A 73 -2.932 -1.305 3.709 1.00 1.00 C ATOM 1070 CG LYS A 73 -1.941 -0.406 4.431 1.00 1.00 C ATOM 1071 CD LYS A 73 -0.651 -0.232 3.629 1.00 1.00 C ATOM 1072 CE LYS A 73 0.379 0.649 4.354 1.00 1.00 C ATOM 1073 NZ LYS A 73 0.059 2.110 4.265 1.00 1.00 N ATOM 0 H LYS A 73 -3.396 -3.551 4.684 1.00 1.00 H new ATOM 0 HA LYS A 73 -4.290 -0.908 5.348 1.00 1.00 H new ATOM 0 HB2 LYS A 73 -2.439 -2.244 3.456 1.00 1.00 H new ATOM 0 HB3 LYS A 73 -3.219 -0.832 2.770 1.00 1.00 H new ATOM 0 HG2 LYS A 73 -2.395 0.569 4.607 1.00 1.00 H new ATOM 0 HG3 LYS A 73 -1.708 -0.830 5.408 1.00 1.00 H new ATOM 0 HD2 LYS A 73 -0.214 -1.211 3.434 1.00 1.00 H new ATOM 0 HD3 LYS A 73 -0.886 0.211 2.661 1.00 1.00 H new ATOM 0 HE2 LYS A 73 0.427 0.356 5.403 1.00 1.00 H new ATOM 0 HE3 LYS A 73 1.366 0.471 3.928 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 0.786 2.656 4.771 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 0.039 2.401 3.267 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 -0.871 2.289 4.696 1.00 1.00 H new ATOM 1087 N VAL A 74 -5.914 -2.598 2.999 1.00 1.00 N ATOM 1088 CA VAL A 74 -7.126 -2.707 2.085 1.00 1.00 C ATOM 1089 C VAL A 74 -8.452 -2.421 2.896 1.00 1.00 C ATOM 1090 O VAL A 74 -9.349 -1.770 2.368 1.00 1.00 O ATOM 1091 CB VAL A 74 -7.228 -4.111 1.279 1.00 1.00 C ATOM 1092 CG1 VAL A 74 -8.184 -4.045 0.063 1.00 1.00 C ATOM 1093 CG2 VAL A 74 -5.875 -4.627 0.746 1.00 1.00 C ATOM 0 H VAL A 74 -5.453 -3.497 3.138 1.00 1.00 H new ATOM 0 HA VAL A 74 -6.995 -1.944 1.317 1.00 1.00 H new ATOM 0 HB VAL A 74 -7.612 -4.795 2.035 1.00 1.00 H new ATOM 0 HG11 VAL A 74 -8.208 -5.015 -0.434 1.00 1.00 H new ATOM 0 HG12 VAL A 74 -9.187 -3.786 0.402 1.00 1.00 H new ATOM 0 HG13 VAL A 74 -7.831 -3.288 -0.637 1.00 1.00 H new ATOM 0 HG21 VAL A 74 -6.027 -5.569 0.219 1.00 1.00 H new ATOM 0 HG22 VAL A 74 -5.450 -3.893 0.061 1.00 1.00 H new ATOM 0 HG23 VAL A 74 -5.191 -4.784 1.580 1.00 1.00 H new ATOM 1103 N PHE A 75 -8.549 -2.927 4.174 1.00 1.00 N ATOM 1104 CA PHE A 75 -9.705 -2.707 5.122 1.00 1.00 C ATOM 1105 C PHE A 75 -9.950 -1.197 5.477 1.00 1.00 C ATOM 1106 O PHE A 75 -11.097 -0.809 5.738 1.00 1.00 O ATOM 1107 CB PHE A 75 -9.428 -3.493 6.422 1.00 1.00 C ATOM 1108 CG PHE A 75 -10.633 -4.165 7.058 1.00 1.00 C ATOM 1109 CD1 PHE A 75 -11.420 -3.496 7.990 1.00 1.00 C ATOM 1110 CD2 PHE A 75 -10.963 -5.476 6.733 1.00 1.00 C ATOM 1111 CE1 PHE A 75 -12.508 -4.118 8.575 1.00 1.00 C ATOM 1112 CE2 PHE A 75 -12.046 -6.101 7.318 1.00 1.00 C ATOM 1113 CZ PHE A 75 -12.820 -5.422 8.238 1.00 1.00 C ATOM 0 H PHE A 75 -7.816 -3.508 4.581 1.00 1.00 H new ATOM 0 HA PHE A 75 -10.606 -3.058 4.619 1.00 1.00 H new ATOM 0 HB2 PHE A 75 -8.680 -4.257 6.210 1.00 1.00 H new ATOM 0 HB3 PHE A 75 -8.990 -2.811 7.150 1.00 1.00 H new ATOM 0 HD1 PHE A 75 -11.178 -2.479 8.260 1.00 1.00 H new ATOM 0 HD2 PHE A 75 -10.364 -6.013 6.013 1.00 1.00 H new ATOM 0 HE1 PHE A 75 -13.113 -3.586 9.294 1.00 1.00 H new ATOM 0 HE2 PHE A 75 -12.288 -7.121 7.056 1.00 1.00 H new ATOM 0 HZ PHE A 75 -13.669 -5.909 8.694 1.00 1.00 H new ATOM 1123 N GLU A 76 -8.836 -0.376 5.457 1.00 1.00 N ATOM 1124 CA GLU A 76 -8.823 1.090 5.771 1.00 1.00 C ATOM 1125 C GLU A 76 -9.505 1.961 4.670 1.00 1.00 C ATOM 1126 O GLU A 76 -10.239 2.901 5.020 1.00 1.00 O ATOM 1127 CB GLU A 76 -7.366 1.562 6.006 1.00 1.00 C ATOM 1128 CG GLU A 76 -7.220 2.610 7.113 1.00 1.00 C ATOM 1129 CD GLU A 76 -5.799 3.123 7.266 1.00 1.00 C ATOM 1130 OE1 GLU A 76 -5.443 4.099 6.573 1.00 1.00 O ATOM 1131 OE2 GLU A 76 -5.047 2.556 8.087 1.00 1.00 O ATOM 0 H GLU A 76 -7.910 -0.731 5.217 1.00 1.00 H new ATOM 0 HA GLU A 76 -9.411 1.227 6.678 1.00 1.00 H new ATOM 0 HB2 GLU A 76 -6.751 0.697 6.255 1.00 1.00 H new ATOM 0 HB3 GLU A 76 -6.974 1.974 5.076 1.00 1.00 H new ATOM 0 HG2 GLU A 76 -7.882 3.449 6.899 1.00 1.00 H new ATOM 0 HG3 GLU A 76 -7.548 2.178 8.059 1.00 1.00 H new ATOM 1138 N LEU A 77 -9.256 1.617 3.358 1.00 1.00 N ATOM 1139 CA LEU A 77 -9.836 2.314 2.163 1.00 1.00 C ATOM 1140 C LEU A 77 -11.369 2.069 1.980 1.00 1.00 C ATOM 1141 O LEU A 77 -12.086 2.979 1.529 1.00 1.00 O ATOM 1142 CB LEU A 77 -9.045 1.969 0.854 1.00 1.00 C ATOM 1143 CG LEU A 77 -8.765 0.485 0.487 1.00 1.00 C ATOM 1144 CD1 LEU A 77 -9.856 -0.066 -0.420 1.00 1.00 C ATOM 1145 CD2 LEU A 77 -7.402 0.343 -0.174 1.00 1.00 C ATOM 0 H LEU A 77 -8.642 0.842 3.105 1.00 1.00 H new ATOM 0 HA LEU A 77 -9.723 3.380 2.360 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -9.588 2.413 0.020 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -8.082 2.476 0.913 1.00 1.00 H new ATOM 0 HG LEU A 77 -8.764 -0.095 1.410 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -9.637 -1.106 -0.662 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -10.817 -0.007 0.090 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -9.896 0.520 -1.338 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -7.226 -0.703 -0.423 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -7.375 0.942 -1.084 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -6.628 0.689 0.511 1.00 1.00 H new ATOM 1157 N LEU A 78 -11.823 0.823 2.340 1.00 1.00 N ATOM 1158 CA LEU A 78 -13.254 0.386 2.308 1.00 1.00 C ATOM 1159 C LEU A 78 -14.064 0.901 3.544 1.00 1.00 C ATOM 1160 O LEU A 78 -15.300 1.010 3.459 1.00 1.00 O ATOM 1161 CB LEU A 78 -13.345 -1.143 2.236 1.00 1.00 C ATOM 1162 CG LEU A 78 -13.057 -1.764 0.858 1.00 1.00 C ATOM 1163 CD1 LEU A 78 -11.910 -2.754 0.935 1.00 1.00 C ATOM 1164 CD2 LEU A 78 -14.289 -2.455 0.318 1.00 1.00 C ATOM 0 H LEU A 78 -11.194 0.089 2.664 1.00 1.00 H new ATOM 0 HA LEU A 78 -13.697 0.826 1.415 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.645 -1.565 2.958 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -14.345 -1.444 2.548 1.00 1.00 H new ATOM 0 HG LEU A 78 -12.775 -0.956 0.183 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -11.728 -3.178 -0.053 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -11.012 -2.244 1.282 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -12.165 -3.553 1.631 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -14.065 -2.888 -0.657 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -14.593 -3.245 1.005 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -15.097 -1.731 0.217 1.00 1.00 H new ATOM 1176 N ASN A 79 -13.335 1.194 4.681 1.00 1.00 N ATOM 1177 CA ASN A 79 -13.911 1.730 5.949 1.00 1.00 C ATOM 1178 C ASN A 79 -14.055 3.287 5.955 1.00 1.00 C ATOM 1179 O ASN A 79 -14.782 3.830 6.809 1.00 1.00 O ATOM 1180 CB ASN A 79 -13.062 1.272 7.144 1.00 1.00 C ATOM 1181 CG ASN A 79 -13.600 0.000 7.767 1.00 1.00 C ATOM 1182 OD1 ASN A 79 -13.259 -1.106 7.348 1.00 1.00 O ATOM 1183 ND2 ASN A 79 -14.450 0.148 8.776 1.00 1.00 N ATOM 0 H ASN A 79 -12.325 1.059 4.730 1.00 1.00 H new ATOM 0 HA ASN A 79 -14.920 1.327 6.030 1.00 1.00 H new ATOM 0 HB2 ASN A 79 -12.035 1.110 6.818 1.00 1.00 H new ATOM 0 HB3 ASN A 79 -13.037 2.061 7.895 1.00 1.00 H new ATOM 0 HD21 ASN A 79 -14.846 -0.673 9.234 1.00 1.00 H new ATOM 0 HD22 ASN A 79 -14.707 1.083 9.093 1.00 1.00 H new ATOM 1190 N ASP A 80 -13.372 3.987 4.973 1.00 1.00 N ATOM 1191 CA ASP A 80 -13.396 5.478 4.782 1.00 1.00 C ATOM 1192 C ASP A 80 -14.786 6.035 4.356 1.00 1.00 C ATOM 1193 O ASP A 80 -15.176 7.109 4.822 1.00 1.00 O ATOM 1194 CB ASP A 80 -12.339 5.897 3.740 1.00 1.00 C ATOM 1195 CG ASP A 80 -10.944 6.095 4.321 1.00 1.00 C ATOM 1196 OD1 ASP A 80 -10.764 7.010 5.158 1.00 1.00 O ATOM 1197 OD2 ASP A 80 -10.024 5.354 3.917 1.00 1.00 O ATOM 0 H ASP A 80 -12.783 3.515 4.286 1.00 1.00 H new ATOM 0 HA ASP A 80 -13.169 5.908 5.758 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -12.292 5.138 2.959 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -12.659 6.824 3.265 1.00 1.00 H new ATOM 1202 N PHE A 81 -15.534 5.241 3.479 1.00 1.00 N ATOM 1203 CA PHE A 81 -16.922 5.525 2.897 1.00 1.00 C ATOM 1204 C PHE A 81 -16.995 6.816 2.013 1.00 1.00 C ATOM 1205 O PHE A 81 -17.352 6.714 0.825 1.00 1.00 O ATOM 1206 CB PHE A 81 -18.066 5.508 3.981 1.00 1.00 C ATOM 1207 CG PHE A 81 -18.500 4.135 4.458 1.00 1.00 C ATOM 1208 CD1 PHE A 81 -17.829 3.485 5.490 1.00 1.00 C ATOM 1209 CD2 PHE A 81 -19.602 3.506 3.890 1.00 1.00 C ATOM 1210 CE1 PHE A 81 -18.243 2.241 5.935 1.00 1.00 C ATOM 1211 CE2 PHE A 81 -20.021 2.264 4.337 1.00 1.00 C ATOM 1212 CZ PHE A 81 -19.341 1.633 5.359 1.00 1.00 C ATOM 0 H PHE A 81 -15.168 4.349 3.146 1.00 1.00 H new ATOM 0 HA PHE A 81 -17.101 4.686 2.224 1.00 1.00 H new ATOM 0 HB2 PHE A 81 -17.732 6.083 4.844 1.00 1.00 H new ATOM 0 HB3 PHE A 81 -18.936 6.022 3.573 1.00 1.00 H new ATOM 0 HD1 PHE A 81 -16.974 3.958 5.950 1.00 1.00 H new ATOM 0 HD2 PHE A 81 -20.139 3.993 3.089 1.00 1.00 H new ATOM 0 HE1 PHE A 81 -17.708 1.746 6.732 1.00 1.00 H new ATOM 0 HE2 PHE A 81 -20.880 1.789 3.886 1.00 1.00 H new ATOM 0 HZ PHE A 81 -19.667 0.664 5.708 1.00 1.00 H new ATOM 1222 N LYS A 82 -16.644 7.989 2.622 1.00 1.00 N ATOM 1223 CA LYS A 82 -16.634 9.314 1.971 1.00 1.00 C ATOM 1224 C LYS A 82 -15.283 10.000 2.198 1.00 1.00 C ATOM 1225 O LYS A 82 -14.749 9.964 3.327 1.00 1.00 O ATOM 1226 CB LYS A 82 -17.772 10.196 2.519 1.00 1.00 C ATOM 1227 CG LYS A 82 -19.134 9.952 1.875 1.00 1.00 C ATOM 1228 CD LYS A 82 -20.217 10.776 2.555 1.00 1.00 C ATOM 1229 CE LYS A 82 -21.589 10.510 1.953 1.00 1.00 C ATOM 1230 NZ LYS A 82 -22.653 11.290 2.644 1.00 1.00 N ATOM 0 H LYS A 82 -16.356 8.028 3.600 1.00 1.00 H new ATOM 0 HA LYS A 82 -16.788 9.175 0.901 1.00 1.00 H new ATOM 0 HB2 LYS A 82 -17.858 10.029 3.593 1.00 1.00 H new ATOM 0 HB3 LYS A 82 -17.502 11.243 2.380 1.00 1.00 H new ATOM 0 HG2 LYS A 82 -19.090 10.207 0.816 1.00 1.00 H new ATOM 0 HG3 LYS A 82 -19.385 8.893 1.938 1.00 1.00 H new ATOM 0 HD2 LYS A 82 -20.236 10.544 3.620 1.00 1.00 H new ATOM 0 HD3 LYS A 82 -19.979 11.836 2.464 1.00 1.00 H new ATOM 0 HE2 LYS A 82 -21.578 10.768 0.894 1.00 1.00 H new ATOM 0 HE3 LYS A 82 -21.816 9.446 2.020 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 -23.574 11.084 2.207 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 -22.680 11.026 3.649 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 -22.449 12.306 2.559 1.00 1.00 H new ATOM 1244 N GLY A 83 -14.760 10.611 1.106 1.00 1.00 N ATOM 1245 CA GLY A 83 -13.475 11.324 1.110 1.00 1.00 C ATOM 1246 C GLY A 83 -13.217 12.025 -0.206 1.00 1.00 C ATOM 1247 O GLY A 83 -13.797 13.099 -0.451 1.00 1.00 O ATOM 0 H GLY A 83 -15.226 10.618 0.199 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -13.467 12.055 1.919 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -12.669 10.619 1.310 1.00 1.00 H new ATOM 1251 N GLY A 84 -12.347 11.392 -1.034 1.00 1.00 N ATOM 1252 CA GLY A 84 -11.975 11.904 -2.366 1.00 1.00 C ATOM 1253 C GLY A 84 -12.192 10.890 -3.488 1.00 1.00 C ATOM 1254 O GLY A 84 -11.308 10.746 -4.350 1.00 1.00 O ATOM 0 H GLY A 84 -11.888 10.514 -0.792 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -12.558 12.800 -2.578 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -10.926 12.202 -2.353 1.00 1.00 H new ATOM 1258 N ILE A 85 -13.372 10.205 -3.460 1.00 1.00 N ATOM 1259 CA ILE A 85 -13.768 9.178 -4.464 1.00 1.00 C ATOM 1260 C ILE A 85 -15.060 9.686 -5.136 1.00 1.00 C ATOM 1261 O ILE A 85 -16.050 9.968 -4.436 1.00 1.00 O ATOM 1262 CB ILE A 85 -13.993 7.690 -3.877 1.00 1.00 C ATOM 1263 CG1 ILE A 85 -13.035 7.306 -2.720 1.00 1.00 C ATOM 1264 CG2 ILE A 85 -13.819 6.604 -4.966 1.00 1.00 C ATOM 1265 CD1 ILE A 85 -13.747 7.054 -1.407 1.00 1.00 C ATOM 0 H ILE A 85 -14.076 10.352 -2.737 1.00 1.00 H new ATOM 0 HA ILE A 85 -12.940 9.064 -5.164 1.00 1.00 H new ATOM 0 HB ILE A 85 -15.015 7.723 -3.500 1.00 1.00 H new ATOM 0 HG12 ILE A 85 -12.479 6.412 -3.001 1.00 1.00 H new ATOM 0 HG13 ILE A 85 -12.306 8.104 -2.582 1.00 1.00 H new ATOM 0 HG21 ILE A 85 -13.979 5.619 -4.527 1.00 1.00 H new ATOM 0 HG22 ILE A 85 -14.544 6.768 -5.763 1.00 1.00 H new ATOM 0 HG23 ILE A 85 -12.811 6.659 -5.376 1.00 1.00 H new ATOM 0 HD11 ILE A 85 -13.017 6.790 -0.642 1.00 1.00 H new ATOM 0 HD12 ILE A 85 -14.281 7.955 -1.104 1.00 1.00 H new ATOM 0 HD13 ILE A 85 -14.456 6.236 -1.529 1.00 1.00 H new ATOM 1277 N ASP A 86 -14.997 9.797 -6.489 1.00 1.00 N ATOM 1278 CA ASP A 86 -16.114 10.250 -7.340 1.00 1.00 C ATOM 1279 C ASP A 86 -16.367 9.240 -8.466 1.00 1.00 C ATOM 1280 O ASP A 86 -15.419 8.830 -9.167 1.00 1.00 O ATOM 1281 CB ASP A 86 -15.820 11.648 -7.923 1.00 1.00 C ATOM 1282 CG ASP A 86 -17.042 12.552 -7.934 1.00 1.00 C ATOM 1283 OD1 ASP A 86 -17.932 12.336 -8.784 1.00 1.00 O ATOM 1284 OD2 ASP A 86 -17.106 13.475 -7.096 1.00 1.00 O ATOM 0 H ASP A 86 -14.156 9.570 -7.020 1.00 1.00 H new ATOM 0 HA ASP A 86 -17.012 10.318 -6.726 1.00 1.00 H new ATOM 0 HB2 ASP A 86 -15.030 12.121 -7.340 1.00 1.00 H new ATOM 0 HB3 ASP A 86 -15.444 11.540 -8.941 1.00 1.00 H new ATOM 1289 N TRP A 87 -17.662 8.826 -8.593 1.00 1.00 N ATOM 1290 CA TRP A 87 -18.155 7.850 -9.629 1.00 1.00 C ATOM 1291 C TRP A 87 -18.405 8.481 -11.025 1.00 1.00 C ATOM 1292 O TRP A 87 -18.335 7.762 -12.038 1.00 1.00 O ATOM 1293 CB TRP A 87 -19.430 7.138 -9.145 1.00 1.00 C ATOM 1294 CG TRP A 87 -19.162 6.104 -8.070 1.00 1.00 C ATOM 1295 CD1 TRP A 87 -19.321 6.298 -6.729 1.00 1.00 C ATOM 1296 CD2 TRP A 87 -18.683 4.737 -8.223 1.00 1.00 C ATOM 1297 NE1 TRP A 87 -18.964 5.173 -6.039 1.00 1.00 N ATOM 1298 CE2 TRP A 87 -18.573 4.207 -6.925 1.00 1.00 C ATOM 1299 CE3 TRP A 87 -18.330 3.904 -9.313 1.00 1.00 C ATOM 1300 CZ2 TRP A 87 -18.135 2.917 -6.682 1.00 1.00 C ATOM 1301 CZ3 TRP A 87 -17.897 2.614 -9.058 1.00 1.00 C ATOM 1302 CH2 TRP A 87 -17.801 2.135 -7.751 1.00 1.00 C ATOM 0 H TRP A 87 -18.404 9.159 -7.977 1.00 1.00 H new ATOM 0 HA TRP A 87 -17.347 7.129 -9.755 1.00 1.00 H new ATOM 0 HB2 TRP A 87 -20.130 7.880 -8.760 1.00 1.00 H new ATOM 0 HB3 TRP A 87 -19.913 6.654 -9.994 1.00 1.00 H new ATOM 0 HD1 TRP A 87 -19.678 7.211 -6.276 1.00 1.00 H new ATOM 0 HE1 TRP A 87 -18.986 5.070 -5.024 1.00 1.00 H new ATOM 0 HE3 TRP A 87 -18.398 4.270 -10.327 1.00 1.00 H new ATOM 0 HZ2 TRP A 87 -18.059 2.538 -5.673 1.00 1.00 H new ATOM 0 HZ3 TRP A 87 -17.630 1.969 -9.882 1.00 1.00 H new ATOM 0 HH2 TRP A 87 -17.456 1.126 -7.581 1.00 1.00 H new ATOM 1313 N GLU A 88 -18.704 9.821 -11.047 1.00 1.00 N ATOM 1314 CA GLU A 88 -18.963 10.627 -12.284 1.00 1.00 C ATOM 1315 C GLU A 88 -17.658 11.079 -13.006 1.00 1.00 C ATOM 1316 O GLU A 88 -17.625 11.081 -14.250 1.00 1.00 O ATOM 1317 CB GLU A 88 -19.833 11.859 -11.947 1.00 1.00 C ATOM 1318 CG GLU A 88 -21.326 11.557 -11.770 1.00 1.00 C ATOM 1319 CD GLU A 88 -22.148 12.776 -11.373 1.00 1.00 C ATOM 1320 OE1 GLU A 88 -22.347 13.675 -12.223 1.00 1.00 O ATOM 1321 OE2 GLU A 88 -22.612 12.821 -10.214 1.00 1.00 O ATOM 0 H GLU A 88 -18.772 10.376 -10.194 1.00 1.00 H new ATOM 0 HA GLU A 88 -19.495 9.973 -12.974 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -19.457 12.314 -11.031 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -19.717 12.598 -12.740 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -21.720 11.151 -12.702 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -21.445 10.785 -11.010 1.00 1.00 H new ATOM 1328 N ASN A 89 -16.614 11.452 -12.200 1.00 1.00 N ATOM 1329 CA ASN A 89 -15.285 11.899 -12.699 1.00 1.00 C ATOM 1330 C ASN A 89 -14.212 10.773 -12.713 1.00 1.00 C ATOM 1331 O ASN A 89 -13.170 10.929 -13.372 1.00 1.00 O ATOM 1332 CB ASN A 89 -14.791 13.088 -11.860 1.00 1.00 C ATOM 1333 CG ASN A 89 -15.342 14.413 -12.351 1.00 1.00 C ATOM 1334 OD1 ASN A 89 -16.358 14.900 -11.853 1.00 1.00 O ATOM 1335 ND2 ASN A 89 -14.668 15.008 -13.329 1.00 1.00 N ATOM 0 H ASN A 89 -16.679 11.448 -11.182 1.00 1.00 H new ATOM 0 HA ASN A 89 -15.426 12.197 -13.738 1.00 1.00 H new ATOM 0 HB2 ASN A 89 -15.081 12.940 -10.820 1.00 1.00 H new ATOM 0 HB3 ASN A 89 -13.702 13.119 -11.886 1.00 1.00 H new ATOM 0 HD21 ASN A 89 -14.987 15.904 -13.697 1.00 1.00 H new ATOM 0 HD22 ASN A 89 -13.831 14.569 -13.712 1.00 1.00 H new ATOM 1342 N LYS A 90 -14.488 9.603 -11.997 1.00 1.00 N ATOM 1343 CA LYS A 90 -13.594 8.370 -11.854 1.00 1.00 C ATOM 1344 C LYS A 90 -12.200 8.683 -11.179 1.00 1.00 C ATOM 1345 O LYS A 90 -11.103 8.411 -11.737 1.00 1.00 O ATOM 1346 CB LYS A 90 -13.466 7.556 -13.199 1.00 1.00 C ATOM 1347 CG LYS A 90 -14.710 6.768 -13.586 1.00 1.00 C ATOM 1348 CD LYS A 90 -14.521 6.074 -14.929 1.00 1.00 C ATOM 1349 CE LYS A 90 -15.715 5.190 -15.295 1.00 1.00 C ATOM 1350 NZ LYS A 90 -15.613 3.833 -14.681 1.00 1.00 N ATOM 0 H LYS A 90 -15.366 9.493 -11.490 1.00 1.00 H new ATOM 0 HA LYS A 90 -14.106 7.711 -11.153 1.00 1.00 H new ATOM 0 HB2 LYS A 90 -13.226 8.249 -14.006 1.00 1.00 H new ATOM 0 HB3 LYS A 90 -12.627 6.865 -13.111 1.00 1.00 H new ATOM 0 HG2 LYS A 90 -14.929 6.027 -12.817 1.00 1.00 H new ATOM 0 HG3 LYS A 90 -15.568 7.438 -13.637 1.00 1.00 H new ATOM 0 HD2 LYS A 90 -14.374 6.824 -15.706 1.00 1.00 H new ATOM 0 HD3 LYS A 90 -13.617 5.466 -14.898 1.00 1.00 H new ATOM 0 HE2 LYS A 90 -16.636 5.670 -14.964 1.00 1.00 H new ATOM 0 HE3 LYS A 90 -15.777 5.094 -16.379 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 -15.996 3.124 -15.339 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 -14.616 3.617 -14.481 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 -16.157 3.811 -13.795 1.00 1.00 H new ATOM 1364 N ARG A 91 -12.302 9.278 -9.960 1.00 1.00 N ATOM 1365 CA ARG A 91 -11.138 9.664 -9.125 1.00 1.00 C ATOM 1366 C ARG A 91 -11.124 8.869 -7.823 1.00 1.00 C ATOM 1367 O ARG A 91 -12.157 8.787 -7.127 1.00 1.00 O ATOM 1368 CB ARG A 91 -11.119 11.181 -8.839 1.00 1.00 C ATOM 1369 CG ARG A 91 -10.626 12.029 -10.009 1.00 1.00 C ATOM 1370 CD ARG A 91 -10.664 13.514 -9.695 1.00 1.00 C ATOM 1371 NE ARG A 91 -10.152 14.322 -10.830 1.00 1.00 N ATOM 1372 CZ ARG A 91 -9.712 15.621 -10.803 1.00 1.00 C ATOM 1373 NH1 ARG A 91 -9.673 16.378 -9.689 1.00 1.00 N ATOM 1374 NH2 ARG A 91 -9.298 16.161 -11.939 1.00 1.00 N ATOM 0 H ARG A 91 -13.199 9.503 -9.530 1.00 1.00 H new ATOM 0 HA ARG A 91 -10.235 9.426 -9.688 1.00 1.00 H new ATOM 0 HB2 ARG A 91 -12.125 11.502 -8.570 1.00 1.00 H new ATOM 0 HB3 ARG A 91 -10.483 11.369 -7.974 1.00 1.00 H new ATOM 0 HG2 ARG A 91 -9.606 11.739 -10.262 1.00 1.00 H new ATOM 0 HG3 ARG A 91 -11.242 11.829 -10.886 1.00 1.00 H new ATOM 0 HD2 ARG A 91 -11.687 13.813 -9.466 1.00 1.00 H new ATOM 0 HD3 ARG A 91 -10.067 13.715 -8.805 1.00 1.00 H new ATOM 0 HE ARG A 91 -10.124 13.856 -11.737 1.00 1.00 H new ATOM 0 HH11 ARG A 91 -9.982 15.990 -8.798 1.00 1.00 H new ATOM 0 HH12 ARG A 91 -9.334 17.339 -9.737 1.00 1.00 H new ATOM 0 HH21 ARG A 91 -9.313 15.613 -12.799 1.00 1.00 H new ATOM 0 HH22 ARG A 91 -8.965 17.125 -11.954 1.00 1.00 H new ATOM 1388 N VAL A 92 -9.938 8.283 -7.530 1.00 1.00 N ATOM 1389 CA VAL A 92 -9.695 7.450 -6.318 1.00 1.00 C ATOM 1390 C VAL A 92 -8.498 8.057 -5.554 1.00 1.00 C ATOM 1391 O VAL A 92 -7.432 8.276 -6.159 1.00 1.00 O ATOM 1392 CB VAL A 92 -9.435 5.884 -6.617 1.00 1.00 C ATOM 1393 CG1 VAL A 92 -9.805 4.995 -5.405 1.00 1.00 C ATOM 1394 CG2 VAL A 92 -10.191 5.326 -7.848 1.00 1.00 C ATOM 0 H VAL A 92 -9.117 8.373 -8.128 1.00 1.00 H new ATOM 0 HA VAL A 92 -10.608 7.471 -5.723 1.00 1.00 H new ATOM 0 HB VAL A 92 -8.366 5.842 -6.825 1.00 1.00 H new ATOM 0 HG11 VAL A 92 -9.615 3.950 -5.649 1.00 1.00 H new ATOM 0 HG12 VAL A 92 -9.201 5.283 -4.545 1.00 1.00 H new ATOM 0 HG13 VAL A 92 -10.861 5.126 -5.167 1.00 1.00 H new ATOM 0 HG21 VAL A 92 -9.956 4.269 -7.971 1.00 1.00 H new ATOM 0 HG22 VAL A 92 -11.264 5.444 -7.700 1.00 1.00 H new ATOM 0 HG23 VAL A 92 -9.886 5.872 -8.741 1.00 1.00 H new ATOM 1404 N LYS A 93 -8.723 8.314 -4.241 1.00 1.00 N ATOM 1405 CA LYS A 93 -7.714 8.880 -3.321 1.00 1.00 C ATOM 1406 C LYS A 93 -7.438 7.914 -2.167 1.00 1.00 C ATOM 1407 O LYS A 93 -8.388 7.328 -1.606 1.00 1.00 O ATOM 1408 CB LYS A 93 -8.184 10.234 -2.774 1.00 1.00 C ATOM 1409 CG LYS A 93 -7.257 11.388 -3.125 1.00 1.00 C ATOM 1410 CD LYS A 93 -7.838 12.725 -2.687 1.00 1.00 C ATOM 1411 CE LYS A 93 -6.911 13.877 -3.037 1.00 1.00 C ATOM 1412 NZ LYS A 93 -7.471 15.187 -2.605 1.00 1.00 N ATOM 0 H LYS A 93 -9.620 8.131 -3.791 1.00 1.00 H new ATOM 0 HA LYS A 93 -6.790 9.030 -3.879 1.00 1.00 H new ATOM 0 HB2 LYS A 93 -9.180 10.448 -3.163 1.00 1.00 H new ATOM 0 HB3 LYS A 93 -8.273 10.167 -1.690 1.00 1.00 H new ATOM 0 HG2 LYS A 93 -6.289 11.237 -2.647 1.00 1.00 H new ATOM 0 HG3 LYS A 93 -7.082 11.401 -4.201 1.00 1.00 H new ATOM 0 HD2 LYS A 93 -8.805 12.877 -3.166 1.00 1.00 H new ATOM 0 HD3 LYS A 93 -8.013 12.712 -1.611 1.00 1.00 H new ATOM 0 HE2 LYS A 93 -5.942 13.721 -2.562 1.00 1.00 H new ATOM 0 HE3 LYS A 93 -6.740 13.892 -4.113 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 -6.810 15.948 -2.861 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 -8.384 15.347 -3.077 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 -7.611 15.182 -1.574 1.00 1.00 H new ATOM 1426 N LEU A 94 -6.129 7.766 -1.838 1.00 1.00 N ATOM 1427 CA LEU A 94 -5.643 6.887 -0.762 1.00 1.00 C ATOM 1428 C LEU A 94 -5.033 7.687 0.383 1.00 1.00 C ATOM 1429 O LEU A 94 -4.180 8.567 0.157 1.00 1.00 O ATOM 1430 CB LEU A 94 -4.611 5.835 -1.321 1.00 1.00 C ATOM 1431 CG LEU A 94 -5.071 4.376 -1.763 1.00 1.00 C ATOM 1432 CD1 LEU A 94 -5.555 3.509 -0.591 1.00 1.00 C ATOM 1433 CD2 LEU A 94 -6.110 4.353 -2.906 1.00 1.00 C ATOM 0 H LEU A 94 -5.380 8.262 -2.322 1.00 1.00 H new ATOM 0 HA LEU A 94 -6.503 6.348 -0.365 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -4.129 6.291 -2.186 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -3.843 5.708 -0.558 1.00 1.00 H new ATOM 0 HG LEU A 94 -4.156 3.935 -2.157 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -5.853 2.529 -0.963 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -4.748 3.393 0.133 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -6.407 3.990 -0.111 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -6.367 3.321 -3.143 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -7.007 4.888 -2.593 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -5.690 4.835 -3.789 1.00 1.00 H new ATOM 1445 N LYS A 95 -5.521 7.354 1.597 1.00 1.00 N ATOM 1446 CA LYS A 95 -5.095 7.968 2.874 1.00 1.00 C ATOM 1447 C LYS A 95 -4.357 6.953 3.754 1.00 1.00 C ATOM 1448 O LYS A 95 -3.341 7.339 4.368 1.00 1.00 O ATOM 1449 CB LYS A 95 -6.309 8.529 3.624 1.00 1.00 C ATOM 1450 CG LYS A 95 -6.674 9.951 3.223 1.00 1.00 C ATOM 1451 CD LYS A 95 -7.937 10.420 3.922 1.00 1.00 C ATOM 1452 CE LYS A 95 -8.251 11.870 3.596 1.00 1.00 C ATOM 1453 NZ LYS A 95 -9.482 12.334 4.291 1.00 1.00 N ATOM 1454 OXT LYS A 95 -4.800 5.783 3.824 1.00 1.00 O ATOM 0 H LYS A 95 -6.236 6.637 1.720 1.00 1.00 H new ATOM 0 HA LYS A 95 -4.409 8.784 2.644 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -7.166 7.880 3.446 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -6.107 8.504 4.695 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -5.851 10.622 3.468 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -6.815 10.001 2.143 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -8.774 9.790 3.623 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -7.821 10.306 5.000 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -7.410 12.499 3.886 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -8.376 11.982 2.519 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 -9.666 13.328 4.045 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -10.289 11.749 3.995 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -9.353 12.250 5.319 1.00 1.00 H new