USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 731 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 55 TYR OH : rot -19:sc= 0.559 USER MOD Set 1.2: A 80 TYR OH : rot -26:sc= 1.19 USER MOD Set 2.1: A 26 THR OG1 : rot -19:sc= 1.3 USER MOD Set 2.2: A 68 HIS : no HD1:sc= 1.03 K(o=2.3,f=-4.7!) USER MOD Single : A 12 MET CE :methyl 180:sc= -0.271 (180deg=-0.271) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -0.415 K(o=-0.42,f=-1.7) USER MOD Single : A 17 TYR OH : rot 150:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -172:sc= -0.904 (180deg=-1.01) USER MOD Single : A 28 THR OG1 : rot 29:sc= 0.709 USER MOD Single : A 29 CYS SG : rot 38:sc= -0.533 USER MOD Single : A 34 ASN : amide:sc= -0.0579 K(o=-0.058,f=-1.7!) USER MOD Single : A 36 LYS NZ :NH3+ -177:sc= 0.918 (180deg=0.91) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 174:sc= 1.8 (180deg=1.75) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 130:sc= 0.0197 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0412 X(o=-0.041,f=-0.29) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 65 CYS SG : rot 180:sc= 0.576 USER MOD Single : A 66 SER OG : rot 28:sc= 0.00637 USER MOD Single : A 69 THR OG1 : rot -58:sc= 1.13 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -59:sc= 0.785 USER MOD Single : A 79 ASN : amide:sc= -0.0262 K(o=-0.026,f=-1.7!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 128:sc= -0.145 (180deg=-0.447) USER MOD Single : A 86 ASN : amide:sc= -0.598! C(o=-0.6!,f=-11!) USER MOD Single : A 88 GLN : amide:sc= -0.0987 X(o=-0.099,f=-0.15) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 152:sc= -0.0668 (180deg=-0.697) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 7 -1.696 9.401 3.696 1.00 0.00 N ATOM 67 CA ALA A 7 -3.101 9.671 3.430 1.00 0.00 C ATOM 68 C ALA A 7 -3.597 10.862 4.242 1.00 0.00 C ATOM 69 O ALA A 7 -3.078 11.145 5.322 1.00 0.00 O ATOM 70 CB ALA A 7 -3.946 8.440 3.721 1.00 0.00 C ATOM 0 HA ALA A 7 -3.200 9.920 2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.994 8.661 3.516 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.619 7.616 3.087 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.832 8.160 4.768 1.00 0.00 H new ATOM 76 N PRO A 8 -4.599 11.556 3.716 1.00 0.00 N ATOM 77 CA PRO A 8 -5.174 12.709 4.400 1.00 0.00 C ATOM 78 C PRO A 8 -5.819 12.301 5.719 1.00 0.00 C ATOM 79 O PRO A 8 -6.389 11.214 5.834 1.00 0.00 O ATOM 80 CB PRO A 8 -6.198 13.262 3.405 1.00 0.00 C ATOM 81 CG PRO A 8 -6.514 12.108 2.515 1.00 0.00 C ATOM 82 CD PRO A 8 -5.230 11.330 2.402 1.00 0.00 C ATOM 0 HA PRO A 8 -4.427 13.455 4.671 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.090 13.626 3.915 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.790 14.099 2.839 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.310 11.494 2.935 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.856 12.447 1.537 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.413 10.271 2.217 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.606 11.694 1.585 1.00 0.00 H new ATOM 90 N PHE A 9 -5.725 13.173 6.715 1.00 0.00 N ATOM 91 CA PHE A 9 -6.232 12.875 8.048 1.00 0.00 C ATOM 92 C PHE A 9 -6.422 14.150 8.861 1.00 0.00 C ATOM 93 O PHE A 9 -5.602 15.065 8.808 1.00 0.00 O ATOM 94 CB PHE A 9 -5.284 11.921 8.776 1.00 0.00 C ATOM 95 CG PHE A 9 -5.677 11.645 10.200 1.00 0.00 C ATOM 96 CD1 PHE A 9 -6.737 10.798 10.490 1.00 0.00 C ATOM 97 CD2 PHE A 9 -4.991 12.233 11.251 1.00 0.00 C ATOM 98 CE1 PHE A 9 -7.100 10.545 11.800 1.00 0.00 C ATOM 99 CE2 PHE A 9 -5.351 11.981 12.561 1.00 0.00 C ATOM 100 CZ PHE A 9 -6.408 11.135 12.835 1.00 0.00 C ATOM 0 H PHE A 9 -5.300 14.096 6.624 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.204 12.394 7.939 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.243 10.978 8.231 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.278 12.341 8.761 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.284 10.331 9.684 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.165 12.897 11.043 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.927 9.884 12.012 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.806 12.445 13.370 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.691 10.937 13.858 1.00 0.00 H new ATOM 110 N PHE A 10 -7.514 14.201 9.622 1.00 0.00 N ATOM 111 CA PHE A 10 -7.773 15.323 10.514 1.00 0.00 C ATOM 112 C PHE A 10 -7.206 15.061 11.905 1.00 0.00 C ATOM 113 O PHE A 10 -7.813 14.356 12.712 1.00 0.00 O ATOM 114 CB PHE A 10 -9.274 15.600 10.600 1.00 0.00 C ATOM 115 CG PHE A 10 -9.864 16.141 9.329 1.00 0.00 C ATOM 116 CD1 PHE A 10 -9.691 17.471 8.976 1.00 0.00 C ATOM 117 CD2 PHE A 10 -10.594 15.320 8.483 1.00 0.00 C ATOM 118 CE1 PHE A 10 -10.234 17.969 7.808 1.00 0.00 C ATOM 119 CE2 PHE A 10 -11.137 15.816 7.312 1.00 0.00 C ATOM 120 CZ PHE A 10 -10.957 17.141 6.975 1.00 0.00 C ATOM 0 H PHE A 10 -8.232 13.477 9.637 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.274 16.201 10.103 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -9.790 14.677 10.865 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -9.457 16.310 11.406 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -9.125 18.125 9.622 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -10.740 14.282 8.742 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -10.092 19.007 7.547 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -11.702 15.165 6.661 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.381 17.529 6.061 1.00 0.00 H new ATOM 130 N GLU A 11 -6.037 15.634 12.179 1.00 0.00 N ATOM 131 CA GLU A 11 -5.428 15.536 13.496 1.00 0.00 C ATOM 132 C GLU A 11 -6.094 16.485 14.485 1.00 0.00 C ATOM 133 O GLU A 11 -5.897 16.379 15.695 1.00 0.00 O ATOM 134 CB GLU A 11 -3.929 15.829 13.413 1.00 0.00 C ATOM 135 CG GLU A 11 -3.587 17.236 12.944 1.00 0.00 C ATOM 136 CD GLU A 11 -2.101 17.455 12.909 1.00 0.00 C ATOM 137 OE1 GLU A 11 -1.384 16.613 13.395 1.00 0.00 O ATOM 138 OE2 GLU A 11 -1.675 18.405 12.297 1.00 0.00 O1- ATOM 0 H GLU A 11 -5.494 16.171 11.503 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.572 14.517 13.855 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.485 15.669 14.396 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.468 15.111 12.734 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.004 17.402 11.951 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.048 17.965 13.610 1.00 0.00 H new ATOM 145 N MET A 12 -6.882 17.419 13.960 1.00 0.00 N ATOM 146 CA MET A 12 -7.787 18.211 14.783 1.00 0.00 C ATOM 147 C MET A 12 -9.114 18.447 14.076 1.00 0.00 C ATOM 148 O MET A 12 -9.187 19.210 13.113 1.00 0.00 O ATOM 149 CB MET A 12 -7.138 19.546 15.146 1.00 0.00 C ATOM 150 CG MET A 12 -7.972 20.420 16.071 1.00 0.00 C ATOM 151 SD MET A 12 -7.167 21.986 16.462 1.00 0.00 S ATOM 152 CE MET A 12 -7.442 22.896 14.945 1.00 0.00 C ATOM 0 H MET A 12 -6.911 17.645 12.966 1.00 0.00 H new ATOM 0 HA MET A 12 -7.988 17.651 15.696 1.00 0.00 H new ATOM 0 HB2 MET A 12 -6.176 19.351 15.620 1.00 0.00 H new ATOM 0 HB3 MET A 12 -6.935 20.099 14.229 1.00 0.00 H new ATOM 0 HG2 MET A 12 -8.937 20.619 15.604 1.00 0.00 H new ATOM 0 HG3 MET A 12 -8.171 19.878 16.995 1.00 0.00 H new ATOM 0 HE1 MET A 12 -7.001 23.889 15.031 1.00 0.00 H new ATOM 0 HE2 MET A 12 -6.980 22.364 14.113 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.513 22.990 14.766 1.00 0.00 H new ATOM 162 N LYS A 13 -10.162 17.787 14.559 1.00 0.00 N ATOM 163 CA LYS A 13 -11.453 17.799 13.883 1.00 0.00 C ATOM 164 C LYS A 13 -12.360 18.894 14.440 1.00 0.00 C ATOM 165 O LYS A 13 -12.013 19.560 15.416 1.00 0.00 O ATOM 166 CB LYS A 13 -12.135 16.435 14.009 1.00 0.00 C ATOM 167 CG LYS A 13 -11.406 15.300 13.301 1.00 0.00 C ATOM 168 CD LYS A 13 -12.167 13.990 13.430 1.00 0.00 C ATOM 169 CE LYS A 13 -11.445 12.857 12.716 1.00 0.00 C ATOM 170 NZ LYS A 13 -12.187 11.571 12.818 1.00 0.00 N1+ ATOM 0 H LYS A 13 -10.141 17.237 15.417 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.275 18.010 12.829 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.230 16.186 15.066 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.145 16.509 13.607 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.280 15.547 12.247 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.408 15.186 13.724 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.288 13.740 14.484 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.168 14.106 13.013 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.312 13.117 11.666 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.449 12.736 13.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.661 10.826 12.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.292 11.309 13.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.128 11.678 12.388 1.00 0.00 H new ATOM 184 N LEU A 14 -13.515 19.077 13.810 1.00 0.00 N ATOM 185 CA LEU A 14 -14.491 20.052 14.271 1.00 0.00 C ATOM 186 C LEU A 14 -15.459 19.433 15.269 1.00 0.00 C ATOM 187 O LEU A 14 -15.674 18.221 15.275 1.00 0.00 O ATOM 188 CB LEU A 14 -15.258 20.639 13.079 1.00 0.00 C ATOM 189 CG LEU A 14 -14.400 21.404 12.065 1.00 0.00 C ATOM 190 CD1 LEU A 14 -15.239 21.788 10.854 1.00 0.00 C ATOM 191 CD2 LEU A 14 -13.811 22.641 12.728 1.00 0.00 C ATOM 0 H LEU A 14 -13.797 18.561 12.977 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.954 20.854 14.777 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.768 19.827 12.560 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.029 21.310 13.458 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.584 20.766 11.725 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.620 22.331 10.140 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.631 20.887 10.383 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.067 22.421 11.171 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.201 23.185 12.007 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.618 23.284 13.079 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.192 22.341 13.573 1.00 0.00 H new ATOM 203 N LYS A 15 -16.045 20.273 16.119 1.00 0.00 N ATOM 204 CA LYS A 15 -17.051 19.822 17.072 1.00 0.00 C ATOM 205 C LYS A 15 -18.410 20.443 16.775 1.00 0.00 C ATOM 206 O LYS A 15 -18.551 21.229 15.840 1.00 0.00 O ATOM 207 CB LYS A 15 -16.621 20.156 18.501 1.00 0.00 C ATOM 208 CG LYS A 15 -15.328 19.483 18.943 1.00 0.00 C ATOM 209 CD LYS A 15 -15.008 19.799 20.397 1.00 0.00 C ATOM 210 CE LYS A 15 -13.725 19.114 20.842 1.00 0.00 C ATOM 211 NZ LYS A 15 -13.402 19.410 22.265 1.00 0.00 N1+ ATOM 0 H LYS A 15 -15.839 21.271 16.166 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.143 18.740 16.973 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.502 21.236 18.589 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.419 19.866 19.185 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.415 18.404 18.814 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.507 19.815 18.307 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.910 20.877 20.524 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.834 19.477 21.032 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.824 18.037 20.709 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.901 19.440 20.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.521 18.925 22.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.283 20.436 22.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.177 19.076 22.873 1.00 0.00 H new ATOM 225 N HIS A 16 -19.408 20.083 17.578 1.00 0.00 N ATOM 226 CA HIS A 16 -20.720 20.708 17.493 1.00 0.00 C ATOM 227 C HIS A 16 -20.698 22.115 18.075 1.00 0.00 C ATOM 228 O HIS A 16 -20.538 22.294 19.283 1.00 0.00 O ATOM 229 CB HIS A 16 -21.771 19.858 18.214 1.00 0.00 C ATOM 230 CG HIS A 16 -23.161 20.406 18.110 1.00 0.00 C ATOM 231 ND1 HIS A 16 -24.213 19.909 18.850 1.00 0.00 N ATOM 232 CD2 HIS A 16 -23.672 21.405 17.353 1.00 0.00 C ATOM 233 CE1 HIS A 16 -25.312 20.582 18.552 1.00 0.00 C ATOM 234 NE2 HIS A 16 -25.010 21.494 17.647 1.00 0.00 N ATOM 0 H HIS A 16 -19.331 19.361 18.294 1.00 0.00 H new ATOM 0 HA HIS A 16 -20.986 20.778 16.438 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -21.756 18.849 17.801 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -21.500 19.776 19.267 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -24.153 19.143 19.521 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -23.129 22.018 16.649 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -26.290 20.414 18.977 1.00 0.00 H new ATOM 242 N TYR A 17 -20.861 23.112 17.214 1.00 0.00 N ATOM 243 CA TYR A 17 -20.769 24.507 17.625 1.00 0.00 C ATOM 244 C TYR A 17 -22.148 25.098 17.882 1.00 0.00 C ATOM 245 O TYR A 17 -23.113 24.769 17.192 1.00 0.00 O ATOM 246 CB TYR A 17 -20.034 25.330 16.565 1.00 0.00 C ATOM 247 CG TYR A 17 -18.594 24.918 16.358 1.00 0.00 C ATOM 248 CD1 TYR A 17 -17.610 25.296 17.259 1.00 0.00 C ATOM 249 CD2 TYR A 17 -18.222 24.153 15.262 1.00 0.00 C ATOM 250 CE1 TYR A 17 -16.292 24.922 17.076 1.00 0.00 C ATOM 251 CE2 TYR A 17 -16.907 23.774 15.069 1.00 0.00 C ATOM 252 CZ TYR A 17 -15.945 24.161 15.979 1.00 0.00 C ATOM 253 OH TYR A 17 -14.634 23.787 15.791 1.00 0.00 O ATOM 0 H TYR A 17 -21.058 22.979 16.222 1.00 0.00 H new ATOM 0 HA TYR A 17 -20.204 24.543 18.557 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -20.566 25.242 15.618 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -20.063 26.381 16.851 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -17.878 25.893 18.118 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -18.973 23.849 14.548 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.538 25.224 17.788 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.634 23.178 14.211 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.603 22.929 15.319 1.00 0.00 H new ATOM 263 N LYS A 18 -22.236 25.973 18.878 1.00 0.00 N ATOM 264 CA LYS A 18 -23.492 26.633 19.210 1.00 0.00 C ATOM 265 C LYS A 18 -23.335 28.148 19.219 1.00 0.00 C ATOM 266 O LYS A 18 -22.602 28.701 20.037 1.00 0.00 O ATOM 267 CB LYS A 18 -24.006 26.148 20.567 1.00 0.00 C ATOM 268 CG LYS A 18 -24.348 24.666 20.617 1.00 0.00 C ATOM 269 CD LYS A 18 -24.893 24.269 21.981 1.00 0.00 C ATOM 270 CE LYS A 18 -25.205 22.781 22.043 1.00 0.00 C ATOM 271 NZ LYS A 18 -25.785 22.388 23.356 1.00 0.00 N1+ ATOM 0 H LYS A 18 -21.450 26.242 19.470 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.219 26.373 18.441 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.251 26.360 21.324 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -24.894 26.722 20.832 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.085 24.435 19.848 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -23.458 24.078 20.394 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -24.166 24.522 22.753 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -25.796 24.841 22.194 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -25.903 22.523 21.246 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -24.293 22.211 21.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -25.983 21.367 23.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -25.109 22.610 24.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -26.669 22.912 23.516 1.00 0.00 H new ATOM 285 N ILE A 19 -24.029 28.813 18.300 1.00 0.00 N ATOM 286 CA ILE A 19 -23.819 30.237 18.066 1.00 0.00 C ATOM 287 C ILE A 19 -25.122 31.012 18.188 1.00 0.00 C ATOM 288 O ILE A 19 -26.170 30.566 17.723 1.00 0.00 O ATOM 289 CB ILE A 19 -23.206 30.499 16.678 1.00 0.00 C ATOM 290 CG1 ILE A 19 -22.005 29.578 16.442 1.00 0.00 C ATOM 291 CG2 ILE A 19 -22.797 31.957 16.543 1.00 0.00 C ATOM 292 CD1 ILE A 19 -22.359 28.275 15.763 1.00 0.00 C ATOM 0 H ILE A 19 -24.741 28.388 17.706 1.00 0.00 H new ATOM 0 HA ILE A 19 -23.122 30.580 18.830 1.00 0.00 H new ATOM 0 HB ILE A 19 -23.959 30.283 15.920 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -21.269 30.105 15.835 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -21.532 29.361 17.400 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -22.366 32.124 15.556 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -23.673 32.594 16.669 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -22.059 32.200 17.307 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -21.457 27.677 15.630 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -23.071 27.726 16.379 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -22.804 28.481 14.790 1.00 0.00 H new ATOM 304 N PHE A 20 -25.054 32.182 18.820 1.00 0.00 N ATOM 305 CA PHE A 20 -26.193 33.092 18.873 1.00 0.00 C ATOM 306 C PHE A 20 -26.475 33.697 17.504 1.00 0.00 C ATOM 307 O PHE A 20 -25.554 34.071 16.779 1.00 0.00 O ATOM 308 CB PHE A 20 -25.946 34.199 19.899 1.00 0.00 C ATOM 309 CG PHE A 20 -25.856 33.705 21.315 1.00 0.00 C ATOM 310 CD1 PHE A 20 -25.943 32.351 21.599 1.00 0.00 C ATOM 311 CD2 PHE A 20 -25.686 34.595 22.366 1.00 0.00 C ATOM 312 CE1 PHE A 20 -25.860 31.895 22.901 1.00 0.00 C ATOM 313 CE2 PHE A 20 -25.602 34.142 23.668 1.00 0.00 C ATOM 314 CZ PHE A 20 -25.689 32.790 23.935 1.00 0.00 C ATOM 0 H PHE A 20 -24.221 32.521 19.302 1.00 0.00 H new ATOM 0 HA PHE A 20 -27.068 32.518 19.178 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -25.021 34.717 19.645 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -26.750 34.931 19.830 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -26.077 31.644 20.793 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -25.619 35.654 22.164 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -25.929 30.837 23.108 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -25.468 34.845 24.477 1.00 0.00 H new ATOM 0 HZ PHE A 20 -25.623 32.434 24.953 1.00 0.00 H new ATOM 324 N GLU A 21 -27.756 33.793 17.160 1.00 0.00 N ATOM 325 CA GLU A 21 -28.163 34.372 15.885 1.00 0.00 C ATOM 326 C GLU A 21 -27.591 35.773 15.711 1.00 0.00 C ATOM 327 O GLU A 21 -27.881 36.677 16.493 1.00 0.00 O ATOM 328 CB GLU A 21 -29.689 34.410 15.775 1.00 0.00 C ATOM 329 CG GLU A 21 -30.212 35.088 14.517 1.00 0.00 C ATOM 330 CD GLU A 21 -31.713 35.044 14.457 1.00 0.00 C ATOM 331 OE1 GLU A 21 -32.339 35.430 15.414 1.00 0.00 O ATOM 332 OE2 GLU A 21 -32.238 34.730 13.413 1.00 0.00 O1- ATOM 0 H GLU A 21 -28.529 33.477 17.746 1.00 0.00 H new ATOM 0 HA GLU A 21 -27.767 33.740 15.090 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -30.069 33.389 15.807 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -30.091 34.928 16.646 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -29.875 36.124 14.493 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -29.796 34.597 13.637 1.00 0.00 H new ATOM 339 N GLY A 22 -26.778 35.948 14.671 1.00 0.00 N ATOM 340 CA GLY A 22 -26.237 37.260 14.336 1.00 0.00 C ATOM 341 C GLY A 22 -24.854 37.458 14.943 1.00 0.00 C ATOM 342 O GLY A 22 -24.196 38.467 14.692 1.00 0.00 O ATOM 0 H GLY A 22 -26.481 35.197 14.047 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -26.180 37.367 13.253 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -26.910 38.037 14.698 1.00 0.00 H new ATOM 346 N MET A 23 -24.421 36.492 15.745 1.00 0.00 N ATOM 347 CA MET A 23 -23.147 36.591 16.445 1.00 0.00 C ATOM 348 C MET A 23 -22.010 36.014 15.611 1.00 0.00 C ATOM 349 O MET A 23 -22.164 34.971 14.975 1.00 0.00 O ATOM 350 CB MET A 23 -23.230 35.875 17.792 1.00 0.00 C ATOM 351 CG MET A 23 -22.045 36.130 18.714 1.00 0.00 C ATOM 352 SD MET A 23 -22.220 35.310 20.311 1.00 0.00 S ATOM 353 CE MET A 23 -21.818 33.622 19.872 1.00 0.00 C ATOM 0 H MET A 23 -24.935 35.630 15.926 1.00 0.00 H new ATOM 0 HA MET A 23 -22.936 37.647 16.614 1.00 0.00 H new ATOM 0 HB2 MET A 23 -24.143 36.186 18.299 1.00 0.00 H new ATOM 0 HB3 MET A 23 -23.313 34.803 17.615 1.00 0.00 H new ATOM 0 HG2 MET A 23 -21.132 35.784 18.230 1.00 0.00 H new ATOM 0 HG3 MET A 23 -21.936 37.203 18.871 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.019 32.968 20.720 1.00 0.00 H new ATOM 0 HE2 MET A 23 -22.427 33.312 19.023 1.00 0.00 H new ATOM 0 HE3 MET A 23 -20.763 33.557 19.605 1.00 0.00 H new ATOM 363 N PRO A 24 -20.875 36.701 15.617 1.00 0.00 N ATOM 364 CA PRO A 24 -19.673 36.198 14.958 1.00 0.00 C ATOM 365 C PRO A 24 -19.145 34.947 15.650 1.00 0.00 C ATOM 366 O PRO A 24 -19.319 34.774 16.855 1.00 0.00 O ATOM 367 CB PRO A 24 -18.685 37.364 15.045 1.00 0.00 C ATOM 368 CG PRO A 24 -19.117 38.130 16.248 1.00 0.00 C ATOM 369 CD PRO A 24 -20.619 38.022 16.272 1.00 0.00 C ATOM 0 HA PRO A 24 -19.854 35.892 13.927 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -17.660 37.009 15.148 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -18.720 37.982 14.148 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.679 37.716 17.156 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.799 39.171 16.186 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -21.009 38.050 17.290 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -21.091 38.840 15.728 1.00 0.00 H new ATOM 377 N VAL A 25 -18.498 34.079 14.877 1.00 0.00 N ATOM 378 CA VAL A 25 -17.927 32.852 15.419 1.00 0.00 C ATOM 379 C VAL A 25 -16.688 32.430 14.635 1.00 0.00 C ATOM 380 O VAL A 25 -16.688 32.446 13.404 1.00 0.00 O ATOM 381 CB VAL A 25 -18.949 31.700 15.407 1.00 0.00 C ATOM 382 CG1 VAL A 25 -19.414 31.416 13.987 1.00 0.00 C ATOM 383 CG2 VAL A 25 -18.349 30.448 16.030 1.00 0.00 C ATOM 0 H VAL A 25 -18.357 34.203 13.875 1.00 0.00 H new ATOM 0 HA VAL A 25 -17.646 33.063 16.451 1.00 0.00 H new ATOM 0 HB VAL A 25 -19.813 32.000 16.000 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -20.136 30.599 13.997 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -19.882 32.309 13.572 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.558 31.136 13.373 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -19.085 29.644 16.013 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.469 30.146 15.463 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -18.063 30.656 17.061 1.00 0.00 H new ATOM 393 N THR A 26 -15.637 32.056 15.358 1.00 0.00 N ATOM 394 CA THR A 26 -14.410 31.579 14.728 1.00 0.00 C ATOM 395 C THR A 26 -14.157 30.112 15.057 1.00 0.00 C ATOM 396 O THR A 26 -14.200 29.709 16.219 1.00 0.00 O ATOM 397 CB THR A 26 -13.190 32.411 15.166 1.00 0.00 C ATOM 398 OG1 THR A 26 -13.395 33.786 14.814 1.00 0.00 O ATOM 399 CG2 THR A 26 -11.927 31.903 14.489 1.00 0.00 C ATOM 0 H THR A 26 -15.610 32.074 16.377 1.00 0.00 H new ATOM 0 HA THR A 26 -14.545 31.689 13.652 1.00 0.00 H new ATOM 0 HB THR A 26 -13.074 32.317 16.246 1.00 0.00 H new ATOM 0 HG1 THR A 26 -14.090 33.847 14.126 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.075 32.503 14.810 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.761 30.861 14.763 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.038 31.980 13.407 1.00 0.00 H new ATOM 407 N PHE A 27 -13.892 29.320 14.026 1.00 0.00 N ATOM 408 CA PHE A 27 -13.585 27.904 14.206 1.00 0.00 C ATOM 409 C PHE A 27 -12.586 27.420 13.161 1.00 0.00 C ATOM 410 O PHE A 27 -12.497 27.983 12.070 1.00 0.00 O ATOM 411 CB PHE A 27 -14.863 27.066 14.140 1.00 0.00 C ATOM 412 CG PHE A 27 -15.685 27.311 12.906 1.00 0.00 C ATOM 413 CD1 PHE A 27 -16.537 28.403 12.827 1.00 0.00 C ATOM 414 CD2 PHE A 27 -15.607 26.450 11.821 1.00 0.00 C ATOM 415 CE1 PHE A 27 -17.293 28.629 11.695 1.00 0.00 C ATOM 416 CE2 PHE A 27 -16.362 26.675 10.686 1.00 0.00 C ATOM 417 CZ PHE A 27 -17.205 27.763 10.622 1.00 0.00 C ATOM 0 H PHE A 27 -13.883 29.633 13.055 1.00 0.00 H new ATOM 0 HA PHE A 27 -13.134 27.783 15.191 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -14.597 26.010 14.184 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -15.472 27.278 15.019 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -16.609 29.085 13.662 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -14.949 25.595 11.864 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -17.953 29.482 11.648 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -16.291 25.997 9.848 1.00 0.00 H new ATOM 0 HZ PHE A 27 -17.796 27.939 9.735 1.00 0.00 H new ATOM 427 N THR A 28 -11.839 26.379 13.503 1.00 0.00 N ATOM 428 CA THR A 28 -10.661 25.996 12.733 1.00 0.00 C ATOM 429 C THR A 28 -10.424 24.491 12.797 1.00 0.00 C ATOM 430 O THR A 28 -10.903 23.818 13.712 1.00 0.00 O ATOM 431 CB THR A 28 -9.401 26.726 13.231 1.00 0.00 C ATOM 432 OG1 THR A 28 -8.292 26.408 12.379 1.00 0.00 O ATOM 433 CG2 THR A 28 -9.072 26.311 14.657 1.00 0.00 C ATOM 0 H THR A 28 -12.027 25.783 14.309 1.00 0.00 H new ATOM 0 HA THR A 28 -10.853 26.285 11.700 1.00 0.00 H new ATOM 0 HB THR A 28 -9.590 27.799 13.209 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.619 26.210 11.477 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.178 26.837 14.992 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.907 26.562 15.311 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.894 25.236 14.691 1.00 0.00 H new ATOM 441 N CYS A 29 -9.682 23.970 11.827 1.00 0.00 N ATOM 442 CA CYS A 29 -9.390 22.545 11.765 1.00 0.00 C ATOM 443 C CYS A 29 -8.014 22.289 11.167 1.00 0.00 C ATOM 444 O CYS A 29 -7.544 23.054 10.321 1.00 0.00 O ATOM 445 CB CYS A 29 -10.485 22.015 10.840 1.00 0.00 C ATOM 446 SG CYS A 29 -10.564 20.211 10.726 1.00 0.00 S ATOM 0 H CYS A 29 -9.271 24.516 11.070 1.00 0.00 H new ATOM 0 HA CYS A 29 -9.377 22.069 12.746 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.449 22.387 11.188 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.328 22.423 9.841 1.00 0.00 H new ATOM 0 HG CYS A 29 -10.326 19.692 11.894 1.00 0.00 H new ATOM 452 N ARG A 30 -7.369 21.214 11.604 1.00 0.00 N ATOM 453 CA ARG A 30 -5.977 20.960 11.262 1.00 0.00 C ATOM 454 C ARG A 30 -5.799 19.560 10.686 1.00 0.00 C ATOM 455 O ARG A 30 -6.374 18.592 11.187 1.00 0.00 O ATOM 456 CB ARG A 30 -5.044 21.203 12.439 1.00 0.00 C ATOM 457 CG ARG A 30 -3.572 20.961 12.149 1.00 0.00 C ATOM 458 CD ARG A 30 -2.666 21.260 13.287 1.00 0.00 C ATOM 459 NE ARG A 30 -1.259 21.002 13.023 1.00 0.00 N ATOM 460 CZ ARG A 30 -0.249 21.351 13.843 1.00 0.00 C ATOM 461 NH1 ARG A 30 -0.480 22.005 14.960 1.00 0.00 N1+ ATOM 462 NH2 ARG A 30 0.983 21.040 13.483 1.00 0.00 N ATOM 0 H ARG A 30 -7.792 20.501 12.199 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.700 21.676 10.489 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.169 22.232 12.776 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.348 20.558 13.264 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.438 19.919 11.858 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.277 21.571 11.295 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.784 22.308 13.563 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.976 20.666 14.147 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.020 20.523 12.155 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.435 22.255 15.216 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.296 22.262 15.570 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.149 20.549 12.605 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.768 21.291 14.083 1.00 0.00 H new ATOM 476 N VAL A 31 -4.998 19.458 9.632 1.00 0.00 N ATOM 477 CA VAL A 31 -4.806 18.193 8.934 1.00 0.00 C ATOM 478 C VAL A 31 -3.342 17.769 8.952 1.00 0.00 C ATOM 479 O VAL A 31 -2.454 18.581 9.210 1.00 0.00 O ATOM 480 CB VAL A 31 -5.289 18.274 7.474 1.00 0.00 C ATOM 481 CG1 VAL A 31 -6.787 18.535 7.422 1.00 0.00 C ATOM 482 CG2 VAL A 31 -4.534 19.360 6.723 1.00 0.00 C ATOM 0 H VAL A 31 -4.470 20.238 9.241 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.402 17.450 9.463 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.089 17.317 6.991 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.111 18.589 6.383 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.315 17.725 7.925 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.010 19.478 7.921 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.888 19.403 5.693 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.704 20.322 7.206 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.468 19.134 6.731 1.00 0.00 H new ATOM 492 N ALA A 32 -3.098 16.491 8.679 1.00 0.00 N ATOM 493 CA ALA A 32 -1.739 15.970 8.616 1.00 0.00 C ATOM 494 C ALA A 32 -1.608 14.891 7.549 1.00 0.00 C ATOM 495 O ALA A 32 -1.642 13.698 7.849 1.00 0.00 O ATOM 496 CB ALA A 32 -1.316 15.428 9.976 1.00 0.00 C ATOM 0 H ALA A 32 -3.824 15.798 8.498 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.077 16.792 8.343 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.299 15.042 9.913 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.356 16.228 10.715 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.991 14.625 10.274 1.00 0.00 H new ATOM 502 N GLY A 33 -1.461 15.319 6.300 1.00 0.00 N ATOM 503 CA GLY A 33 -1.244 14.395 5.192 1.00 0.00 C ATOM 504 C GLY A 33 0.067 14.688 4.478 1.00 0.00 C ATOM 505 O GLY A 33 0.828 15.561 4.894 1.00 0.00 O ATOM 0 H GLY A 33 -1.488 16.302 6.029 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.236 13.371 5.566 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.070 14.470 4.485 1.00 0.00 H new ATOM 509 N ASN A 34 0.327 13.956 3.394 1.00 0.00 N ATOM 510 CA ASN A 34 1.524 14.172 2.588 1.00 0.00 C ATOM 511 C ASN A 34 1.325 13.668 1.178 1.00 0.00 C ATOM 512 O ASN A 34 1.344 12.460 0.923 1.00 0.00 O ATOM 513 CB ASN A 34 2.737 13.465 3.260 1.00 0.00 C ATOM 514 CG ASN A 34 4.125 13.779 2.692 1.00 0.00 C ATOM 515 OD1 ASN A 34 4.285 14.182 1.549 1.00 0.00 O ATOM 516 ND2 ASN A 34 5.173 13.588 3.447 1.00 0.00 N ATOM 0 H ASN A 34 -0.278 13.208 3.055 1.00 0.00 H new ATOM 0 HA ASN A 34 1.722 15.242 2.530 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.737 13.725 4.319 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.580 12.388 3.196 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.106 13.775 3.081 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.058 13.252 4.403 1.00 0.00 H new ATOM 523 N PRO A 35 1.161 14.597 0.241 1.00 0.00 N ATOM 524 CA PRO A 35 1.263 16.018 0.551 1.00 0.00 C ATOM 525 C PRO A 35 0.101 16.478 1.423 1.00 0.00 C ATOM 526 O PRO A 35 -0.954 15.847 1.450 1.00 0.00 O ATOM 527 CB PRO A 35 1.262 16.700 -0.820 1.00 0.00 C ATOM 528 CG PRO A 35 1.616 15.614 -1.776 1.00 0.00 C ATOM 529 CD PRO A 35 1.026 14.359 -1.192 1.00 0.00 C ATOM 0 HA PRO A 35 2.157 16.262 1.126 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.286 17.129 -1.050 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.985 17.515 -0.859 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.209 15.815 -2.767 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.697 15.525 -1.887 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.015 14.222 -1.486 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.567 13.468 -1.510 1.00 0.00 H new ATOM 537 N LYS A 36 0.307 17.581 2.139 1.00 0.00 N ATOM 538 CA LYS A 36 -0.703 18.092 3.060 1.00 0.00 C ATOM 539 C LYS A 36 -1.960 18.515 2.313 1.00 0.00 C ATOM 540 O LYS A 36 -1.889 19.180 1.280 1.00 0.00 O ATOM 541 CB LYS A 36 -0.149 19.268 3.865 1.00 0.00 C ATOM 542 CG LYS A 36 0.933 18.890 4.868 1.00 0.00 C ATOM 543 CD LYS A 36 1.395 20.099 5.666 1.00 0.00 C ATOM 544 CE LYS A 36 2.510 19.732 6.635 1.00 0.00 C ATOM 545 NZ LYS A 36 2.969 20.905 7.426 1.00 0.00 N1+ ATOM 0 H LYS A 36 1.162 18.136 2.099 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.967 17.288 3.747 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.256 20.007 3.174 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.970 19.747 4.398 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.552 18.128 5.547 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.782 18.453 4.342 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.744 20.875 4.985 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.553 20.515 6.219 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.160 18.953 7.312 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.351 19.318 6.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.762 20.623 8.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.280 21.659 6.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.186 21.254 8.015 1.00 0.00 H new ATOM 559 N PRO A 37 -3.117 18.126 2.843 1.00 0.00 N ATOM 560 CA PRO A 37 -4.390 18.393 2.184 1.00 0.00 C ATOM 561 C PRO A 37 -4.575 19.884 1.924 1.00 0.00 C ATOM 562 O PRO A 37 -4.170 20.718 2.730 1.00 0.00 O ATOM 563 CB PRO A 37 -5.438 17.843 3.158 1.00 0.00 C ATOM 564 CG PRO A 37 -4.725 16.766 3.901 1.00 0.00 C ATOM 565 CD PRO A 37 -3.307 17.252 4.047 1.00 0.00 C ATOM 0 HA PRO A 37 -4.463 17.926 1.202 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.799 18.619 3.833 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.306 17.452 2.628 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.183 16.591 4.875 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.763 15.822 3.357 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.166 17.808 4.974 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.597 16.425 4.060 1.00 0.00 H new ATOM 573 N LYS A 38 -5.189 20.209 0.791 1.00 0.00 N ATOM 574 CA LYS A 38 -5.587 21.581 0.504 1.00 0.00 C ATOM 575 C LYS A 38 -6.964 21.890 1.074 1.00 0.00 C ATOM 576 O LYS A 38 -7.949 21.959 0.339 1.00 0.00 O ATOM 577 CB LYS A 38 -5.574 21.838 -1.003 1.00 0.00 C ATOM 578 CG LYS A 38 -4.198 21.732 -1.648 1.00 0.00 C ATOM 579 CD LYS A 38 -4.268 21.978 -3.147 1.00 0.00 C ATOM 580 CE LYS A 38 -2.886 21.933 -3.782 1.00 0.00 C ATOM 581 NZ LYS A 38 -2.941 22.160 -5.252 1.00 0.00 N1+ ATOM 0 H LYS A 38 -5.422 19.540 0.057 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.865 22.242 0.984 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.244 21.127 -1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.975 22.834 -1.193 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.523 22.455 -1.190 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.781 20.743 -1.459 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.908 21.227 -3.611 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.726 22.949 -3.337 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.251 22.690 -3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.426 20.965 -3.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.979 22.121 -5.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.526 21.423 -5.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.356 23.094 -5.444 1.00 0.00 H new ATOM 595 N ILE A 39 -7.028 22.069 2.390 1.00 0.00 N ATOM 596 CA ILE A 39 -8.302 22.204 3.086 1.00 0.00 C ATOM 597 C ILE A 39 -9.272 23.070 2.291 1.00 0.00 C ATOM 598 O ILE A 39 -8.960 24.207 1.938 1.00 0.00 O ATOM 599 CB ILE A 39 -8.117 22.807 4.490 1.00 0.00 C ATOM 600 CG1 ILE A 39 -7.437 21.799 5.419 1.00 0.00 C ATOM 601 CG2 ILE A 39 -9.457 23.243 5.061 1.00 0.00 C ATOM 602 CD1 ILE A 39 -7.049 22.373 6.763 1.00 0.00 C ATOM 0 H ILE A 39 -6.210 22.124 2.997 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.716 21.201 3.186 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.476 23.685 4.409 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.107 20.954 5.575 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.544 21.412 4.928 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.309 23.667 6.054 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.904 23.994 4.409 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.121 22.381 5.130 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.573 21.599 7.365 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.353 23.200 6.618 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.941 22.734 7.275 1.00 0.00 H new ATOM 614 N TYR A 40 -10.454 22.525 2.014 1.00 0.00 N ATOM 615 CA TYR A 40 -11.539 23.304 1.435 1.00 0.00 C ATOM 616 C TYR A 40 -12.708 23.431 2.407 1.00 0.00 C ATOM 617 O TYR A 40 -13.000 22.506 3.165 1.00 0.00 O ATOM 618 CB TYR A 40 -12.013 22.668 0.126 1.00 0.00 C ATOM 619 CG TYR A 40 -10.968 22.668 -0.968 1.00 0.00 C ATOM 620 CD1 TYR A 40 -10.636 23.839 -1.635 1.00 0.00 C ATOM 621 CD2 TYR A 40 -10.318 21.498 -1.332 1.00 0.00 C ATOM 622 CE1 TYR A 40 -9.683 23.845 -2.635 1.00 0.00 C ATOM 623 CE2 TYR A 40 -9.362 21.493 -2.330 1.00 0.00 C ATOM 624 CZ TYR A 40 -9.048 22.669 -2.979 1.00 0.00 C ATOM 625 OH TYR A 40 -8.098 22.670 -3.976 1.00 0.00 O ATOM 0 H TYR A 40 -10.682 21.545 2.182 1.00 0.00 H new ATOM 0 HA TYR A 40 -11.158 24.304 1.228 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -12.319 21.641 0.323 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -12.895 23.202 -0.227 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -11.131 24.761 -1.368 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -10.563 20.575 -0.827 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.436 24.765 -3.145 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.864 20.574 -2.600 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.747 21.763 -4.094 1.00 0.00 H new ATOM 635 N TRP A 41 -13.370 24.581 2.379 1.00 0.00 N ATOM 636 CA TRP A 41 -14.553 24.803 3.207 1.00 0.00 C ATOM 637 C TRP A 41 -15.798 24.972 2.349 1.00 0.00 C ATOM 638 O TRP A 41 -15.777 25.664 1.331 1.00 0.00 O ATOM 639 CB TRP A 41 -14.360 26.031 4.098 1.00 0.00 C ATOM 640 CG TRP A 41 -13.345 25.830 5.182 1.00 0.00 C ATOM 641 CD1 TRP A 41 -12.008 26.084 5.104 1.00 0.00 C ATOM 642 CD2 TRP A 41 -13.583 25.335 6.505 1.00 0.00 C ATOM 643 NE1 TRP A 41 -11.398 25.777 6.295 1.00 0.00 N ATOM 644 CE2 TRP A 41 -12.346 25.315 7.172 1.00 0.00 C ATOM 645 CE3 TRP A 41 -14.727 24.905 7.190 1.00 0.00 C ATOM 646 CZ2 TRP A 41 -12.215 24.885 8.483 1.00 0.00 C ATOM 647 CZ3 TRP A 41 -14.596 24.475 8.505 1.00 0.00 C ATOM 648 CH2 TRP A 41 -13.376 24.466 9.133 1.00 0.00 C ATOM 0 H TRP A 41 -13.110 25.375 1.793 1.00 0.00 H new ATOM 0 HA TRP A 41 -14.689 23.925 3.839 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -14.056 26.875 3.479 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -15.316 26.295 4.551 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.502 26.471 4.232 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -10.403 25.876 6.495 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -15.692 24.908 6.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -11.256 24.875 8.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.471 24.142 9.043 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -13.313 24.126 10.156 1.00 0.00 H new ATOM 659 N PHE A 42 -16.889 24.336 2.768 1.00 0.00 N ATOM 660 CA PHE A 42 -18.191 24.555 2.149 1.00 0.00 C ATOM 661 C PHE A 42 -19.320 24.260 3.124 1.00 0.00 C ATOM 662 O PHE A 42 -19.205 23.381 3.978 1.00 0.00 O ATOM 663 CB PHE A 42 -18.340 23.691 0.895 1.00 0.00 C ATOM 664 CG PHE A 42 -18.109 22.226 1.138 1.00 0.00 C ATOM 665 CD1 PHE A 42 -16.826 21.698 1.123 1.00 0.00 C ATOM 666 CD2 PHE A 42 -19.174 21.373 1.383 1.00 0.00 C ATOM 667 CE1 PHE A 42 -16.613 20.352 1.345 1.00 0.00 C ATOM 668 CE2 PHE A 42 -18.964 20.026 1.606 1.00 0.00 C ATOM 669 CZ PHE A 42 -17.683 19.515 1.587 1.00 0.00 C ATOM 0 H PHE A 42 -16.896 23.664 3.535 1.00 0.00 H new ATOM 0 HA PHE A 42 -18.252 25.605 1.865 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -19.341 23.829 0.487 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -17.637 24.040 0.139 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -15.984 22.348 0.935 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -20.180 21.766 1.400 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -15.609 19.954 1.329 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -19.803 19.373 1.795 1.00 0.00 H new ATOM 0 HZ PHE A 42 -17.518 18.462 1.761 1.00 0.00 H new ATOM 679 N LYS A 43 -20.415 25.000 2.992 1.00 0.00 N ATOM 680 CA LYS A 43 -21.537 24.882 3.919 1.00 0.00 C ATOM 681 C LYS A 43 -22.742 24.238 3.243 1.00 0.00 C ATOM 682 O LYS A 43 -23.376 24.843 2.379 1.00 0.00 O ATOM 683 CB LYS A 43 -21.916 26.253 4.479 1.00 0.00 C ATOM 684 CG LYS A 43 -22.898 26.207 5.642 1.00 0.00 C ATOM 685 CD LYS A 43 -24.336 26.311 5.158 1.00 0.00 C ATOM 686 CE LYS A 43 -25.295 26.555 6.315 1.00 0.00 C ATOM 687 NZ LYS A 43 -26.706 26.270 5.938 1.00 0.00 N1+ ATOM 0 H LYS A 43 -20.551 25.689 2.252 1.00 0.00 H new ATOM 0 HA LYS A 43 -21.225 24.240 4.743 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -21.009 26.762 4.805 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -22.348 26.853 3.678 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.765 25.278 6.196 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.685 27.023 6.333 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.421 27.123 4.436 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.614 25.393 4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -25.011 25.927 7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -25.210 27.590 6.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -27.313 26.350 6.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -27.018 26.954 5.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.774 25.307 5.552 1.00 0.00 H new ATOM 701 N ASP A 44 -23.053 23.010 3.643 1.00 0.00 N ATOM 702 CA ASP A 44 -24.134 22.254 3.020 1.00 0.00 C ATOM 703 C ASP A 44 -23.968 22.201 1.508 1.00 0.00 C ATOM 704 O ASP A 44 -24.951 22.182 0.766 1.00 0.00 O ATOM 705 CB ASP A 44 -25.492 22.862 3.380 1.00 0.00 C ATOM 706 CG ASP A 44 -25.874 22.725 4.847 1.00 0.00 C ATOM 707 OD1 ASP A 44 -25.192 22.023 5.555 1.00 0.00 O ATOM 708 OD2 ASP A 44 -26.743 23.442 5.282 1.00 0.00 O1- ATOM 0 H ASP A 44 -22.572 22.517 4.395 1.00 0.00 H new ATOM 0 HA ASP A 44 -24.091 21.235 3.403 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -25.484 23.920 3.117 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -26.262 22.388 2.771 1.00 0.00 H new ATOM 713 N GLY A 45 -22.721 22.179 1.052 1.00 0.00 N ATOM 714 CA GLY A 45 -22.425 22.055 -0.370 1.00 0.00 C ATOM 715 C GLY A 45 -22.137 23.415 -0.993 1.00 0.00 C ATOM 716 O GLY A 45 -21.849 23.510 -2.184 1.00 0.00 O ATOM 0 H GLY A 45 -21.896 22.246 1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -21.566 21.399 -0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -23.268 21.589 -0.880 1.00 0.00 H new ATOM 720 N LYS A 46 -22.217 24.461 -0.178 1.00 0.00 N ATOM 721 CA LYS A 46 -21.997 25.822 -0.658 1.00 0.00 C ATOM 722 C LYS A 46 -20.553 26.256 -0.432 1.00 0.00 C ATOM 723 O LYS A 46 -20.176 26.644 0.677 1.00 0.00 O ATOM 724 CB LYS A 46 -22.953 26.796 0.032 1.00 0.00 C ATOM 725 CG LYS A 46 -24.427 26.525 -0.235 1.00 0.00 C ATOM 726 CD LYS A 46 -25.316 27.485 0.544 1.00 0.00 C ATOM 727 CE LYS A 46 -26.788 27.246 0.240 1.00 0.00 C ATOM 728 NZ LYS A 46 -27.661 28.261 0.889 1.00 0.00 N1+ ATOM 0 H LYS A 46 -22.432 24.394 0.817 1.00 0.00 H new ATOM 0 HA LYS A 46 -22.195 25.834 -1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -22.778 26.758 1.107 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -22.718 27.809 -0.293 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -24.630 26.623 -1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -24.666 25.498 0.042 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -25.139 27.362 1.612 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -25.053 28.513 0.293 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -26.944 27.269 -0.838 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -27.072 26.251 0.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -28.655 28.063 0.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -27.531 28.222 1.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -27.407 29.209 0.544 1.00 0.00 H new ATOM 742 N GLN A 47 -19.746 26.188 -1.484 1.00 0.00 N ATOM 743 CA GLN A 47 -18.325 26.504 -1.386 1.00 0.00 C ATOM 744 C GLN A 47 -18.109 27.888 -0.795 1.00 0.00 C ATOM 745 O GLN A 47 -18.732 28.862 -1.223 1.00 0.00 O ATOM 746 CB GLN A 47 -17.661 26.421 -2.762 1.00 0.00 C ATOM 747 CG GLN A 47 -16.157 26.635 -2.741 1.00 0.00 C ATOM 748 CD GLN A 47 -15.532 26.490 -4.115 1.00 0.00 C ATOM 749 OE1 GLN A 47 -16.231 26.288 -5.112 1.00 0.00 O ATOM 750 NE2 GLN A 47 -14.209 26.588 -4.177 1.00 0.00 N ATOM 0 H GLN A 47 -20.052 25.916 -2.418 1.00 0.00 H new ATOM 0 HA GLN A 47 -17.868 25.770 -0.723 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -17.872 25.444 -3.196 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.114 27.165 -3.417 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -15.940 27.629 -2.349 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -15.700 25.917 -2.060 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -13.670 26.756 -3.328 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.732 26.496 -5.074 1.00 0.00 H new ATOM 759 N ILE A 48 -17.225 27.976 0.193 1.00 0.00 N ATOM 760 CA ILE A 48 -16.888 29.249 0.815 1.00 0.00 C ATOM 761 C ILE A 48 -15.467 29.669 0.472 1.00 0.00 C ATOM 762 O ILE A 48 -14.506 28.984 0.816 1.00 0.00 O ATOM 763 CB ILE A 48 -17.041 29.188 2.346 1.00 0.00 C ATOM 764 CG1 ILE A 48 -18.491 28.874 2.725 1.00 0.00 C ATOM 765 CG2 ILE A 48 -16.594 30.497 2.978 1.00 0.00 C ATOM 766 CD1 ILE A 48 -18.695 28.626 4.202 1.00 0.00 C ATOM 0 H ILE A 48 -16.727 27.175 0.581 1.00 0.00 H new ATOM 0 HA ILE A 48 -17.586 29.987 0.420 1.00 0.00 H new ATOM 0 HB ILE A 48 -16.405 28.389 2.727 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -19.126 29.704 2.414 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -18.820 27.996 2.170 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.709 30.436 4.060 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -15.548 30.680 2.734 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -17.205 31.314 2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -19.746 28.410 4.393 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -18.088 27.777 4.516 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -18.398 29.512 4.764 1.00 0.00 H new ATOM 778 N SER A 49 -15.335 30.806 -0.201 1.00 0.00 N ATOM 779 CA SER A 49 -14.027 31.343 -0.556 1.00 0.00 C ATOM 780 C SER A 49 -13.493 32.263 0.534 1.00 0.00 C ATOM 781 O SER A 49 -14.264 32.850 1.295 1.00 0.00 O ATOM 782 CB SER A 49 -14.109 32.082 -1.877 1.00 0.00 C ATOM 783 OG SER A 49 -14.919 33.223 -1.794 1.00 0.00 O ATOM 0 H SER A 49 -16.121 31.376 -0.513 1.00 0.00 H new ATOM 0 HA SER A 49 -13.334 30.508 -0.657 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.107 32.372 -2.192 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.503 31.413 -2.642 1.00 0.00 H new ATOM 0 HG SER A 49 -14.944 33.671 -2.665 1.00 0.00 H new ATOM 789 N PRO A 50 -12.172 32.384 0.603 1.00 0.00 N ATOM 790 CA PRO A 50 -11.534 33.256 1.583 1.00 0.00 C ATOM 791 C PRO A 50 -11.985 34.701 1.412 1.00 0.00 C ATOM 792 O PRO A 50 -12.180 35.171 0.290 1.00 0.00 O ATOM 793 CB PRO A 50 -10.035 33.085 1.318 1.00 0.00 C ATOM 794 CG PRO A 50 -9.927 31.763 0.637 1.00 0.00 C ATOM 795 CD PRO A 50 -11.167 31.646 -0.209 1.00 0.00 C ATOM 0 HA PRO A 50 -11.797 33.000 2.609 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.648 33.888 0.690 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.463 33.102 2.246 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.027 31.709 0.024 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.868 30.951 1.362 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.032 32.093 -1.194 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -11.455 30.607 -0.367 1.00 0.00 H new ATOM 803 N LYS A 51 -12.144 35.403 2.529 1.00 0.00 N ATOM 804 CA LYS A 51 -12.467 36.825 2.496 1.00 0.00 C ATOM 805 C LYS A 51 -13.717 37.089 1.672 1.00 0.00 C ATOM 806 O LYS A 51 -13.742 37.994 0.834 1.00 0.00 O ATOM 807 CB LYS A 51 -11.292 37.630 1.938 1.00 0.00 C ATOM 808 CG LYS A 51 -10.016 37.534 2.763 1.00 0.00 C ATOM 809 CD LYS A 51 -8.892 38.350 2.142 1.00 0.00 C ATOM 810 CE LYS A 51 -7.604 38.218 2.940 1.00 0.00 C ATOM 811 NZ LYS A 51 -6.471 38.933 2.291 1.00 0.00 N1+ ATOM 0 H LYS A 51 -12.055 35.012 3.467 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.661 37.144 3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.082 37.288 0.925 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.586 38.677 1.866 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.208 37.888 3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.710 36.491 2.842 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.723 38.018 1.118 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.186 39.399 2.093 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.757 38.616 3.943 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.352 37.163 3.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.613 38.818 2.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.308 38.537 1.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.700 39.944 2.209 1.00 0.00 H new ATOM 825 N SER A 52 -14.756 36.296 1.908 1.00 0.00 N ATOM 826 CA SER A 52 -16.031 36.480 1.228 1.00 0.00 C ATOM 827 C SER A 52 -16.842 37.598 1.870 1.00 0.00 C ATOM 828 O SER A 52 -16.335 38.341 2.713 1.00 0.00 O ATOM 829 CB SER A 52 -16.819 35.185 1.236 1.00 0.00 C ATOM 830 OG SER A 52 -17.380 34.917 2.492 1.00 0.00 O ATOM 0 H SER A 52 -14.739 35.518 2.567 1.00 0.00 H new ATOM 0 HA SER A 52 -15.827 36.765 0.196 1.00 0.00 H new ATOM 0 HB2 SER A 52 -17.611 35.239 0.490 1.00 0.00 H new ATOM 0 HB3 SER A 52 -16.165 34.362 0.948 1.00 0.00 H new ATOM 0 HG SER A 52 -18.332 34.709 2.387 1.00 0.00 H new ATOM 836 N ASP A 53 -18.102 37.719 1.463 1.00 0.00 N ATOM 837 CA ASP A 53 -18.964 38.791 1.947 1.00 0.00 C ATOM 838 C ASP A 53 -19.259 38.630 3.434 1.00 0.00 C ATOM 839 O ASP A 53 -19.415 39.610 4.155 1.00 0.00 O ATOM 840 CB ASP A 53 -20.272 38.827 1.152 1.00 0.00 C ATOM 841 CG ASP A 53 -20.130 39.362 -0.267 1.00 0.00 C ATOM 842 OD1 ASP A 53 -19.103 39.923 -0.570 1.00 0.00 O ATOM 843 OD2 ASP A 53 -20.977 39.073 -1.077 1.00 0.00 O1- ATOM 0 H ASP A 53 -18.549 37.087 0.799 1.00 0.00 H new ATOM 0 HA ASP A 53 -18.437 39.734 1.804 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -20.684 37.819 1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -20.993 39.443 1.689 1.00 0.00 H new ATOM 848 N HIS A 54 -19.342 37.380 3.880 1.00 0.00 N ATOM 849 CA HIS A 54 -19.799 37.080 5.232 1.00 0.00 C ATOM 850 C HIS A 54 -18.840 36.136 5.944 1.00 0.00 C ATOM 851 O HIS A 54 -18.990 35.864 7.135 1.00 0.00 O ATOM 852 CB HIS A 54 -21.206 36.471 5.205 1.00 0.00 C ATOM 853 CG HIS A 54 -22.240 37.375 4.611 1.00 0.00 C ATOM 854 ND1 HIS A 54 -22.694 38.510 5.250 1.00 0.00 N ATOM 855 CD2 HIS A 54 -22.910 37.312 3.436 1.00 0.00 C ATOM 856 CE1 HIS A 54 -23.599 39.105 4.493 1.00 0.00 C ATOM 857 NE2 HIS A 54 -23.748 38.399 3.387 1.00 0.00 N ATOM 0 H HIS A 54 -19.099 36.559 3.325 1.00 0.00 H new ATOM 0 HA HIS A 54 -19.829 38.019 5.784 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -21.179 35.541 4.637 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -21.501 36.215 6.222 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -22.805 36.549 2.679 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -24.127 40.015 4.737 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -24.382 38.624 2.621 1.00 0.00 H new ATOM 865 N TYR A 55 -17.854 35.636 5.205 1.00 0.00 N ATOM 866 CA TYR A 55 -16.911 34.664 5.746 1.00 0.00 C ATOM 867 C TYR A 55 -15.476 35.058 5.429 1.00 0.00 C ATOM 868 O TYR A 55 -15.202 35.688 4.406 1.00 0.00 O ATOM 869 CB TYR A 55 -17.206 33.266 5.195 1.00 0.00 C ATOM 870 CG TYR A 55 -18.620 32.793 5.451 1.00 0.00 C ATOM 871 CD1 TYR A 55 -18.968 32.213 6.662 1.00 0.00 C ATOM 872 CD2 TYR A 55 -19.601 32.924 4.480 1.00 0.00 C ATOM 873 CE1 TYR A 55 -20.257 31.778 6.901 1.00 0.00 C ATOM 874 CE2 TYR A 55 -20.895 32.494 4.707 1.00 0.00 C ATOM 875 CZ TYR A 55 -21.218 31.921 5.921 1.00 0.00 C ATOM 876 OH TYR A 55 -22.503 31.488 6.153 1.00 0.00 O ATOM 0 H TYR A 55 -17.688 35.888 4.231 1.00 0.00 H new ATOM 0 HA TYR A 55 -17.031 34.650 6.829 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -17.021 33.263 4.121 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -16.509 32.556 5.641 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -18.218 32.100 7.431 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -19.350 33.370 3.529 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -20.511 31.328 7.849 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -21.648 32.605 3.941 1.00 0.00 H new ATOM 0 HH TYR A 55 -22.504 30.851 6.898 1.00 0.00 H new ATOM 886 N THR A 56 -14.554 34.680 6.309 1.00 0.00 N ATOM 887 CA THR A 56 -13.132 34.903 6.078 1.00 0.00 C ATOM 888 C THR A 56 -12.319 33.659 6.417 1.00 0.00 C ATOM 889 O THR A 56 -12.479 33.075 7.490 1.00 0.00 O ATOM 890 CB THR A 56 -12.605 36.091 6.904 1.00 0.00 C ATOM 891 OG1 THR A 56 -13.338 37.275 6.565 1.00 0.00 O ATOM 892 CG2 THR A 56 -11.127 36.319 6.628 1.00 0.00 C ATOM 0 H THR A 56 -14.768 34.216 7.192 1.00 0.00 H new ATOM 0 HA THR A 56 -13.017 35.131 5.018 1.00 0.00 H new ATOM 0 HB THR A 56 -12.736 35.864 7.962 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.003 38.030 7.093 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.772 37.162 7.220 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.565 35.425 6.896 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.983 36.534 5.569 1.00 0.00 H new ATOM 900 N ILE A 57 -11.446 33.260 5.501 1.00 0.00 N ATOM 901 CA ILE A 57 -10.633 32.061 5.686 1.00 0.00 C ATOM 902 C ILE A 57 -9.156 32.417 5.819 1.00 0.00 C ATOM 903 O ILE A 57 -8.589 33.092 4.959 1.00 0.00 O ATOM 904 CB ILE A 57 -10.809 31.069 4.522 1.00 0.00 C ATOM 905 CG1 ILE A 57 -12.263 30.599 4.438 1.00 0.00 C ATOM 906 CG2 ILE A 57 -9.871 29.883 4.686 1.00 0.00 C ATOM 907 CD1 ILE A 57 -12.559 29.741 3.229 1.00 0.00 C ATOM 0 H ILE A 57 -11.281 33.749 4.621 1.00 0.00 H new ATOM 0 HA ILE A 57 -10.977 31.587 6.605 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.557 31.578 3.592 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.506 30.036 5.339 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.916 31.471 4.421 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.009 29.192 3.854 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -8.839 30.234 4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.092 29.372 5.623 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -13.609 29.447 3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.350 30.307 2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.932 28.849 3.253 1.00 0.00 H new ATOM 919 N GLN A 58 -8.536 31.955 6.901 1.00 0.00 N ATOM 920 CA GLN A 58 -7.096 32.089 7.072 1.00 0.00 C ATOM 921 C GLN A 58 -6.400 30.739 6.961 1.00 0.00 C ATOM 922 O GLN A 58 -6.918 29.721 7.422 1.00 0.00 O ATOM 923 CB GLN A 58 -6.775 32.727 8.426 1.00 0.00 C ATOM 924 CG GLN A 58 -7.317 34.135 8.596 1.00 0.00 C ATOM 925 CD GLN A 58 -6.645 35.129 7.669 1.00 0.00 C ATOM 926 OE1 GLN A 58 -5.418 35.138 7.528 1.00 0.00 O ATOM 927 NE2 GLN A 58 -7.444 35.978 7.032 1.00 0.00 N ATOM 0 H GLN A 58 -9.010 31.485 7.672 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.726 32.734 6.275 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.180 32.096 9.217 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.693 32.748 8.557 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -8.390 34.134 8.406 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.176 34.453 9.629 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -8.453 35.936 7.177 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.049 36.672 6.397 1.00 0.00 H new ATOM 936 N ARG A 59 -5.225 30.734 6.341 1.00 0.00 N ATOM 937 CA ARG A 59 -4.521 29.494 6.042 1.00 0.00 C ATOM 938 C ARG A 59 -3.142 29.473 6.692 1.00 0.00 C ATOM 939 O ARG A 59 -2.204 30.104 6.201 1.00 0.00 O ATOM 940 CB ARG A 59 -4.437 29.230 4.546 1.00 0.00 C ATOM 941 CG ARG A 59 -5.748 28.823 3.894 1.00 0.00 C ATOM 942 CD ARG A 59 -5.658 28.588 2.431 1.00 0.00 C ATOM 943 NE ARG A 59 -6.924 28.271 1.791 1.00 0.00 N ATOM 944 CZ ARG A 59 -7.489 27.047 1.775 1.00 0.00 C ATOM 945 NH1 ARG A 59 -6.886 26.016 2.326 1.00 0.00 N1+ ATOM 946 NH2 ARG A 59 -8.653 26.904 1.168 1.00 0.00 N ATOM 0 H ARG A 59 -4.740 31.577 6.035 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.105 28.681 6.473 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.067 30.129 4.053 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.702 28.445 4.371 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.112 27.914 4.374 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.489 29.600 4.080 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.239 29.477 1.958 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.959 27.771 2.250 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.420 29.028 1.321 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.978 26.136 2.774 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.327 25.096 2.305 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.101 27.708 0.727 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.105 25.990 1.140 1.00 0.00 H new ATOM 960 N ASP A 60 -3.024 28.745 7.794 1.00 0.00 N ATOM 961 CA ASP A 60 -1.726 28.496 8.413 1.00 0.00 C ATOM 962 C ASP A 60 -0.964 27.403 7.674 1.00 0.00 C ATOM 963 O ASP A 60 -1.449 26.283 7.529 1.00 0.00 O ATOM 964 CB ASP A 60 -1.898 28.114 9.885 1.00 0.00 C ATOM 965 CG ASP A 60 -0.591 27.907 10.638 1.00 0.00 C ATOM 966 OD1 ASP A 60 0.442 27.927 10.012 1.00 0.00 O ATOM 967 OD2 ASP A 60 -0.621 27.891 11.846 1.00 0.00 O1- ATOM 0 H ASP A 60 -3.811 28.315 8.279 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.146 29.417 8.352 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.472 28.894 10.385 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.486 27.198 9.944 1.00 0.00 H new ATOM 972 N LEU A 61 0.235 27.738 7.208 1.00 0.00 N ATOM 973 CA LEU A 61 0.993 26.855 6.332 1.00 0.00 C ATOM 974 C LEU A 61 1.431 25.595 7.066 1.00 0.00 C ATOM 975 O LEU A 61 1.881 24.630 6.447 1.00 0.00 O ATOM 976 CB LEU A 61 2.211 27.593 5.763 1.00 0.00 C ATOM 977 CG LEU A 61 1.887 28.763 4.827 1.00 0.00 C ATOM 978 CD1 LEU A 61 3.170 29.472 4.413 1.00 0.00 C ATOM 979 CD2 LEU A 61 1.140 28.248 3.606 1.00 0.00 C ATOM 0 H LEU A 61 0.703 28.618 7.424 1.00 0.00 H new ATOM 0 HA LEU A 61 0.344 26.555 5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.809 27.968 6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.830 26.877 5.222 1.00 0.00 H new ATOM 0 HG LEU A 61 1.253 29.480 5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.929 30.302 3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.677 29.853 5.299 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.823 28.770 3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.910 29.081 2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.761 27.524 3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.213 27.770 3.922 1.00 0.00 H new ATOM 991 N ASP A 62 1.294 25.606 8.386 1.00 0.00 N ATOM 992 CA ASP A 62 1.611 24.443 9.203 1.00 0.00 C ATOM 993 C ASP A 62 0.671 23.284 8.894 1.00 0.00 C ATOM 994 O ASP A 62 0.991 22.123 9.162 1.00 0.00 O ATOM 995 CB ASP A 62 1.539 24.796 10.692 1.00 0.00 C ATOM 996 CG ASP A 62 2.707 25.634 11.195 1.00 0.00 C ATOM 997 OD1 ASP A 62 3.681 25.746 10.490 1.00 0.00 O ATOM 998 OD2 ASP A 62 2.555 26.281 12.204 1.00 0.00 O1- ATOM 0 H ASP A 62 0.963 26.413 8.915 1.00 0.00 H new ATOM 0 HA ASP A 62 2.628 24.133 8.963 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.611 25.337 10.881 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.494 23.873 11.270 1.00 0.00 H new ATOM 1003 N GLY A 63 -0.489 23.603 8.331 1.00 0.00 N ATOM 1004 CA GLY A 63 -1.481 22.587 7.994 1.00 0.00 C ATOM 1005 C GLY A 63 -2.811 22.870 8.683 1.00 0.00 C ATOM 1006 O GLY A 63 -3.640 21.973 8.842 1.00 0.00 O ATOM 0 H GLY A 63 -0.766 24.557 8.098 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.626 22.560 6.914 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.115 21.604 8.292 1.00 0.00 H new ATOM 1010 N THR A 64 -3.010 24.119 9.086 1.00 0.00 N ATOM 1011 CA THR A 64 -4.237 24.522 9.767 1.00 0.00 C ATOM 1012 C THR A 64 -4.968 25.608 8.990 1.00 0.00 C ATOM 1013 O THR A 64 -4.346 26.515 8.444 1.00 0.00 O ATOM 1014 CB THR A 64 -3.953 25.031 11.193 1.00 0.00 C ATOM 1015 OG1 THR A 64 -3.248 24.025 11.931 1.00 0.00 O ATOM 1016 CG2 THR A 64 -5.251 25.365 11.910 1.00 0.00 C ATOM 0 H THR A 64 -2.336 24.873 8.953 1.00 0.00 H new ATOM 0 HA THR A 64 -4.867 23.634 9.826 1.00 0.00 H new ATOM 0 HB THR A 64 -3.346 25.934 11.125 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.067 24.351 12.837 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.030 25.723 12.916 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.783 26.140 11.358 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.873 24.472 11.971 1.00 0.00 H new ATOM 1024 N CYS A 65 -6.294 25.506 8.946 1.00 0.00 N ATOM 1025 CA CYS A 65 -7.114 26.509 8.280 1.00 0.00 C ATOM 1026 C CYS A 65 -8.313 26.894 9.138 1.00 0.00 C ATOM 1027 O CYS A 65 -8.988 26.030 9.701 1.00 0.00 O ATOM 1028 CB CYS A 65 -7.566 25.786 7.011 1.00 0.00 C ATOM 1029 SG CYS A 65 -8.382 26.849 5.795 1.00 0.00 S ATOM 0 H CYS A 65 -6.821 24.739 9.364 1.00 0.00 H new ATOM 0 HA CYS A 65 -6.582 27.440 8.085 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -6.698 25.320 6.544 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -8.248 24.982 7.289 1.00 0.00 H new ATOM 0 HG CYS A 65 -8.723 26.141 4.759 1.00 0.00 H new ATOM 1035 N SER A 66 -8.574 28.193 9.235 1.00 0.00 N ATOM 1036 CA SER A 66 -9.615 28.700 10.121 1.00 0.00 C ATOM 1037 C SER A 66 -10.696 29.432 9.335 1.00 0.00 C ATOM 1038 O SER A 66 -10.403 30.308 8.523 1.00 0.00 O ATOM 1039 CB SER A 66 -9.010 29.616 11.167 1.00 0.00 C ATOM 1040 OG SER A 66 -9.985 30.178 12.002 1.00 0.00 O ATOM 0 H SER A 66 -8.079 28.914 8.711 1.00 0.00 H new ATOM 0 HA SER A 66 -10.080 27.851 10.621 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.296 29.055 11.770 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.454 30.412 10.673 1.00 0.00 H new ATOM 0 HG SER A 66 -10.754 29.574 12.059 1.00 0.00 H new ATOM 1046 N LEU A 67 -11.948 29.068 9.586 1.00 0.00 N ATOM 1047 CA LEU A 67 -13.083 29.737 8.958 1.00 0.00 C ATOM 1048 C LEU A 67 -13.832 30.607 9.961 1.00 0.00 C ATOM 1049 O LEU A 67 -14.312 30.116 10.982 1.00 0.00 O ATOM 1050 CB LEU A 67 -14.031 28.705 8.336 1.00 0.00 C ATOM 1051 CG LEU A 67 -15.324 29.279 7.742 1.00 0.00 C ATOM 1052 CD1 LEU A 67 -14.994 30.257 6.622 1.00 0.00 C ATOM 1053 CD2 LEU A 67 -16.196 28.144 7.227 1.00 0.00 C ATOM 0 H LEU A 67 -12.204 28.312 10.221 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.700 30.385 8.170 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.496 28.170 7.551 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.295 27.972 9.098 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.872 29.818 8.516 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.918 30.659 6.206 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.389 31.073 7.018 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.439 29.740 5.839 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -17.114 28.553 6.805 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.657 27.592 6.457 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -16.442 27.472 8.049 1.00 0.00 H new ATOM 1065 N HIS A 68 -13.927 31.899 9.662 1.00 0.00 N ATOM 1066 CA HIS A 68 -14.624 32.836 10.534 1.00 0.00 C ATOM 1067 C HIS A 68 -15.925 33.318 9.900 1.00 0.00 C ATOM 1068 O HIS A 68 -15.942 33.743 8.745 1.00 0.00 O ATOM 1069 CB HIS A 68 -13.729 34.033 10.866 1.00 0.00 C ATOM 1070 CG HIS A 68 -14.440 35.135 11.588 1.00 0.00 C ATOM 1071 ND1 HIS A 68 -14.878 35.009 12.889 1.00 0.00 N ATOM 1072 CD2 HIS A 68 -14.790 36.381 11.190 1.00 0.00 C ATOM 1073 CE1 HIS A 68 -15.467 36.133 13.262 1.00 0.00 C ATOM 1074 NE2 HIS A 68 -15.426 36.980 12.250 1.00 0.00 N ATOM 0 H HIS A 68 -13.530 32.320 8.822 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.867 32.309 11.457 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.893 33.692 11.476 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -13.309 34.429 9.941 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.604 36.821 10.221 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.907 36.325 14.230 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -15.806 37.927 12.255 1.00 0.00 H new ATOM 1082 N THR A 69 -17.011 33.242 10.663 1.00 0.00 N ATOM 1083 CA THR A 69 -18.289 33.798 10.230 1.00 0.00 C ATOM 1084 C THR A 69 -18.574 35.124 10.921 1.00 0.00 C ATOM 1085 O THR A 69 -18.533 35.217 12.148 1.00 0.00 O ATOM 1086 CB THR A 69 -19.452 32.828 10.507 1.00 0.00 C ATOM 1087 OG1 THR A 69 -19.218 31.590 9.823 1.00 0.00 O ATOM 1088 CG2 THR A 69 -20.769 33.423 10.032 1.00 0.00 C ATOM 0 H THR A 69 -17.032 32.802 11.583 1.00 0.00 H new ATOM 0 HA THR A 69 -18.212 33.960 9.155 1.00 0.00 H new ATOM 0 HB THR A 69 -19.511 32.653 11.581 1.00 0.00 H new ATOM 0 HG1 THR A 69 -19.124 31.760 8.862 1.00 0.00 H new ATOM 0 HG21 THR A 69 -21.579 32.723 10.236 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.956 34.359 10.559 1.00 0.00 H new ATOM 0 HG23 THR A 69 -20.716 33.614 8.960 1.00 0.00 H new ATOM 1096 N THR A 70 -18.858 36.149 10.125 1.00 0.00 N ATOM 1097 CA THR A 70 -19.069 37.493 10.655 1.00 0.00 C ATOM 1098 C THR A 70 -20.370 37.578 11.440 1.00 0.00 C ATOM 1099 O THR A 70 -20.410 38.143 12.534 1.00 0.00 O ATOM 1100 CB THR A 70 -19.091 38.546 9.532 1.00 0.00 C ATOM 1101 OG1 THR A 70 -17.821 38.564 8.865 1.00 0.00 O ATOM 1102 CG2 THR A 70 -19.379 39.927 10.101 1.00 0.00 C ATOM 0 H THR A 70 -18.948 36.076 9.112 1.00 0.00 H new ATOM 0 HA THR A 70 -18.232 37.702 11.321 1.00 0.00 H new ATOM 0 HB THR A 70 -19.878 38.284 8.825 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.837 39.233 8.149 1.00 0.00 H new ATOM 0 HG21 THR A 70 -19.391 40.658 9.293 1.00 0.00 H new ATOM 0 HG22 THR A 70 -20.349 39.921 10.599 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.604 40.193 10.820 1.00 0.00 H new ATOM 1110 N ALA A 71 -21.432 37.011 10.881 1.00 0.00 N ATOM 1111 CA ALA A 71 -22.749 37.062 11.507 1.00 0.00 C ATOM 1112 C ALA A 71 -23.528 35.778 11.255 1.00 0.00 C ATOM 1113 O ALA A 71 -24.253 35.663 10.267 1.00 0.00 O ATOM 1114 CB ALA A 71 -23.528 38.266 11.001 1.00 0.00 C ATOM 0 H ALA A 71 -21.408 36.509 9.993 1.00 0.00 H new ATOM 0 HA ALA A 71 -22.608 37.162 12.583 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -24.508 38.291 11.477 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -22.984 39.179 11.243 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -23.651 38.192 9.920 1.00 0.00 H new ATOM 1120 N SER A 72 -23.376 34.813 12.156 1.00 0.00 N ATOM 1121 CA SER A 72 -24.007 33.509 11.998 1.00 0.00 C ATOM 1122 C SER A 72 -25.473 33.554 12.412 1.00 0.00 C ATOM 1123 O SER A 72 -25.804 33.364 13.582 1.00 0.00 O ATOM 1124 CB SER A 72 -23.260 32.467 12.808 1.00 0.00 C ATOM 1125 OG SER A 72 -23.793 31.183 12.633 1.00 0.00 O ATOM 0 H SER A 72 -22.820 34.911 13.005 1.00 0.00 H new ATOM 0 HA SER A 72 -23.965 33.235 10.944 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.210 32.466 12.516 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.297 32.734 13.864 1.00 0.00 H new ATOM 0 HG SER A 72 -23.283 30.541 13.170 1.00 0.00 H new ATOM 1131 N THR A 73 -26.349 33.801 11.443 1.00 0.00 N ATOM 1132 CA THR A 73 -27.782 33.838 11.700 1.00 0.00 C ATOM 1133 C THR A 73 -28.411 32.463 11.502 1.00 0.00 C ATOM 1134 O THR A 73 -27.733 31.507 11.130 1.00 0.00 O ATOM 1135 CB THR A 73 -28.493 34.853 10.786 1.00 0.00 C ATOM 1136 OG1 THR A 73 -28.379 34.433 9.421 1.00 0.00 O ATOM 1137 CG2 THR A 73 -27.878 36.233 10.945 1.00 0.00 C ATOM 0 H THR A 73 -26.090 33.978 10.473 1.00 0.00 H new ATOM 0 HA THR A 73 -27.909 34.147 12.738 1.00 0.00 H new ATOM 0 HB THR A 73 -29.545 34.902 11.069 1.00 0.00 H new ATOM 0 HG1 THR A 73 -27.432 34.371 9.176 1.00 0.00 H new ATOM 0 HG21 THR A 73 -28.392 36.938 10.292 1.00 0.00 H new ATOM 0 HG22 THR A 73 -27.977 36.559 11.980 1.00 0.00 H new ATOM 0 HG23 THR A 73 -26.822 36.194 10.677 1.00 0.00 H new ATOM 1145 N LEU A 74 -29.713 32.372 11.761 1.00 0.00 N ATOM 1146 CA LEU A 74 -30.435 31.118 11.596 1.00 0.00 C ATOM 1147 C LEU A 74 -30.370 30.626 10.153 1.00 0.00 C ATOM 1148 O LEU A 74 -30.399 29.422 9.898 1.00 0.00 O ATOM 1149 CB LEU A 74 -31.895 31.287 12.037 1.00 0.00 C ATOM 1150 CG LEU A 74 -32.103 31.468 13.546 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -33.566 31.772 13.838 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -31.658 30.210 14.276 1.00 0.00 C ATOM 0 H LEU A 74 -30.287 33.151 12.085 1.00 0.00 H new ATOM 0 HA LEU A 74 -29.957 30.368 12.226 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -32.316 32.150 11.522 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -32.460 30.414 11.710 1.00 0.00 H new ATOM 0 HG LEU A 74 -31.503 32.307 13.897 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -33.704 31.899 14.912 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -33.857 32.688 13.324 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -34.186 30.947 13.488 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -31.806 30.340 15.348 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -32.246 29.360 13.929 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -30.602 30.027 14.075 1.00 0.00 H new ATOM 1164 N ASP A 75 -30.281 31.566 9.219 1.00 0.00 N ATOM 1165 CA ASP A 75 -30.140 31.227 7.810 1.00 0.00 C ATOM 1166 C ASP A 75 -28.748 30.684 7.510 1.00 0.00 C ATOM 1167 O ASP A 75 -28.528 30.052 6.476 1.00 0.00 O ATOM 1168 CB ASP A 75 -30.429 32.449 6.934 1.00 0.00 C ATOM 1169 CG ASP A 75 -31.896 32.852 6.881 1.00 0.00 C ATOM 1170 OD1 ASP A 75 -32.721 32.077 7.303 1.00 0.00 O ATOM 1171 OD2 ASP A 75 -32.169 33.987 6.569 1.00 0.00 O1- ATOM 0 H ASP A 75 -30.304 32.567 9.413 1.00 0.00 H new ATOM 0 HA ASP A 75 -30.866 30.447 7.580 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -29.846 33.292 7.304 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -30.084 32.244 5.920 1.00 0.00 H new ATOM 1176 N ASP A 76 -27.812 30.933 8.417 1.00 0.00 N ATOM 1177 CA ASP A 76 -26.450 30.437 8.272 1.00 0.00 C ATOM 1178 C ASP A 76 -26.248 29.145 9.054 1.00 0.00 C ATOM 1179 O ASP A 76 -25.157 28.572 9.055 1.00 0.00 O ATOM 1180 CB ASP A 76 -25.443 31.493 8.733 1.00 0.00 C ATOM 1181 CG ASP A 76 -25.483 32.790 7.936 1.00 0.00 C ATOM 1182 OD1 ASP A 76 -25.410 32.726 6.732 1.00 0.00 O ATOM 1183 OD2 ASP A 76 -25.743 33.815 8.520 1.00 0.00 O1- ATOM 0 H ASP A 76 -27.973 31.478 9.264 1.00 0.00 H new ATOM 0 HA ASP A 76 -26.283 30.226 7.216 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -25.628 31.720 9.783 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -24.439 31.073 8.670 1.00 0.00 H new ATOM 1188 N ASP A 77 -27.304 28.694 9.722 1.00 0.00 N ATOM 1189 CA ASP A 77 -27.265 27.427 10.447 1.00 0.00 C ATOM 1190 C ASP A 77 -27.184 26.244 9.492 1.00 0.00 C ATOM 1191 O ASP A 77 -27.945 26.160 8.527 1.00 0.00 O ATOM 1192 CB ASP A 77 -28.494 27.291 11.349 1.00 0.00 C ATOM 1193 CG ASP A 77 -28.507 26.034 12.210 1.00 0.00 C ATOM 1194 OD1 ASP A 77 -27.779 25.119 11.901 1.00 0.00 O ATOM 1195 OD2 ASP A 77 -29.121 26.055 13.248 1.00 0.00 O1- ATOM 0 H ASP A 77 -28.196 29.185 9.777 1.00 0.00 H new ATOM 0 HA ASP A 77 -26.367 27.425 11.065 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -28.550 28.163 12.000 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -29.389 27.300 10.727 1.00 0.00 H new ATOM 1200 N GLY A 78 -26.255 25.334 9.762 1.00 0.00 N ATOM 1201 CA GLY A 78 -26.065 24.157 8.922 1.00 0.00 C ATOM 1202 C GLY A 78 -24.691 23.538 9.142 1.00 0.00 C ATOM 1203 O GLY A 78 -24.020 23.825 10.133 1.00 0.00 O ATOM 0 H GLY A 78 -25.620 25.389 10.558 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -26.838 23.421 9.143 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -26.178 24.433 7.874 1.00 0.00 H new ATOM 1207 N ASN A 79 -24.271 22.691 8.207 1.00 0.00 N ATOM 1208 CA ASN A 79 -23.031 21.944 8.355 1.00 0.00 C ATOM 1209 C ASN A 79 -21.927 22.535 7.489 1.00 0.00 C ATOM 1210 O ASN A 79 -21.933 22.383 6.264 1.00 0.00 O ATOM 1211 CB ASN A 79 -23.228 20.474 8.029 1.00 0.00 C ATOM 1212 CG ASN A 79 -24.225 19.784 8.917 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -24.062 19.729 10.142 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -25.215 19.190 8.300 1.00 0.00 N ATOM 0 H ASN A 79 -24.773 22.506 7.339 1.00 0.00 H new ATOM 0 HA ASN A 79 -22.728 22.022 9.399 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -23.553 20.382 6.993 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -22.269 19.962 8.109 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -25.897 18.650 8.832 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -25.304 19.267 7.287 1.00 0.00 H new ATOM 1221 N TYR A 80 -20.978 23.210 8.128 1.00 0.00 N ATOM 1222 CA TYR A 80 -19.833 23.775 7.423 1.00 0.00 C ATOM 1223 C TYR A 80 -18.764 22.722 7.172 1.00 0.00 C ATOM 1224 O TYR A 80 -17.690 22.755 7.774 1.00 0.00 O ATOM 1225 CB TYR A 80 -19.239 24.944 8.213 1.00 0.00 C ATOM 1226 CG TYR A 80 -20.127 26.167 8.258 1.00 0.00 C ATOM 1227 CD1 TYR A 80 -21.258 26.198 9.061 1.00 0.00 C ATOM 1228 CD2 TYR A 80 -19.832 27.289 7.497 1.00 0.00 C ATOM 1229 CE1 TYR A 80 -22.073 27.313 9.106 1.00 0.00 C ATOM 1230 CE2 TYR A 80 -20.639 28.409 7.534 1.00 0.00 C ATOM 1231 CZ TYR A 80 -21.760 28.417 8.340 1.00 0.00 C ATOM 1232 OH TYR A 80 -22.567 29.531 8.381 1.00 0.00 O ATOM 0 H TYR A 80 -20.979 23.379 9.134 1.00 0.00 H new ATOM 0 HA TYR A 80 -20.186 24.140 6.459 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -19.038 24.616 9.233 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -18.281 25.219 7.771 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -21.506 25.335 9.662 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -18.956 27.286 6.865 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -22.950 27.320 9.737 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -20.395 29.274 6.936 1.00 0.00 H new ATOM 0 HH TYR A 80 -23.478 29.266 8.625 1.00 0.00 H new ATOM 1242 N THR A 81 -19.064 21.782 6.279 1.00 0.00 N ATOM 1243 CA THR A 81 -18.218 20.610 6.083 1.00 0.00 C ATOM 1244 C THR A 81 -16.851 21.001 5.539 1.00 0.00 C ATOM 1245 O THR A 81 -16.747 21.816 4.621 1.00 0.00 O ATOM 1246 CB THR A 81 -18.868 19.597 5.123 1.00 0.00 C ATOM 1247 OG1 THR A 81 -20.131 19.173 5.654 1.00 0.00 O ATOM 1248 CG2 THR A 81 -17.969 18.385 4.936 1.00 0.00 C ATOM 0 H THR A 81 -19.888 21.810 5.679 1.00 0.00 H new ATOM 0 HA THR A 81 -18.098 20.145 7.061 1.00 0.00 H new ATOM 0 HB THR A 81 -19.015 20.079 4.157 1.00 0.00 H new ATOM 0 HG1 THR A 81 -20.544 18.530 5.041 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.445 17.680 4.254 1.00 0.00 H new ATOM 0 HG22 THR A 81 -17.013 18.702 4.520 1.00 0.00 H new ATOM 0 HG23 THR A 81 -17.804 17.903 5.899 1.00 0.00 H new ATOM 1256 N ILE A 82 -15.803 20.420 6.114 1.00 0.00 N ATOM 1257 CA ILE A 82 -14.445 20.656 5.641 1.00 0.00 C ATOM 1258 C ILE A 82 -13.875 19.414 4.966 1.00 0.00 C ATOM 1259 O ILE A 82 -14.087 18.293 5.423 1.00 0.00 O ATOM 1260 CB ILE A 82 -13.512 21.079 6.790 1.00 0.00 C ATOM 1261 CG1 ILE A 82 -12.048 20.976 6.355 1.00 0.00 C ATOM 1262 CG2 ILE A 82 -13.767 20.226 8.023 1.00 0.00 C ATOM 1263 CD1 ILE A 82 -11.067 21.480 7.389 1.00 0.00 C ATOM 0 H ILE A 82 -15.869 19.783 6.908 1.00 0.00 H new ATOM 0 HA ILE A 82 -14.501 21.467 4.915 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.722 22.118 7.043 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -11.819 19.935 6.127 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.912 21.541 5.433 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -13.099 20.538 8.826 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -14.802 20.349 8.343 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.583 19.178 7.785 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.051 21.375 7.009 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -11.268 22.530 7.600 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.173 20.899 8.305 1.00 0.00 H new ATOM 1275 N MET A 83 -13.151 19.623 3.871 1.00 0.00 N ATOM 1276 CA MET A 83 -12.637 18.519 3.069 1.00 0.00 C ATOM 1277 C MET A 83 -11.117 18.552 2.996 1.00 0.00 C ATOM 1278 O MET A 83 -10.528 19.524 2.519 1.00 0.00 O ATOM 1279 CB MET A 83 -13.234 18.560 1.665 1.00 0.00 C ATOM 1280 CG MET A 83 -12.711 17.483 0.725 1.00 0.00 C ATOM 1281 SD MET A 83 -13.587 17.452 -0.852 1.00 0.00 S ATOM 1282 CE MET A 83 -13.050 19.001 -1.569 1.00 0.00 C ATOM 0 H MET A 83 -12.907 20.548 3.519 1.00 0.00 H new ATOM 0 HA MET A 83 -12.932 17.587 3.552 1.00 0.00 H new ATOM 0 HB2 MET A 83 -14.317 18.463 1.741 1.00 0.00 H new ATOM 0 HB3 MET A 83 -13.032 19.537 1.226 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.649 17.649 0.543 1.00 0.00 H new ATOM 0 HG3 MET A 83 -12.803 16.510 1.207 1.00 0.00 H new ATOM 0 HE1 MET A 83 -12.661 18.822 -2.571 1.00 0.00 H new ATOM 0 HE2 MET A 83 -13.894 19.688 -1.625 1.00 0.00 H new ATOM 0 HE3 MET A 83 -12.267 19.437 -0.948 1.00 0.00 H new ATOM 1292 N ALA A 84 -10.480 17.486 3.474 1.00 0.00 N ATOM 1293 CA ALA A 84 -9.039 17.332 3.346 1.00 0.00 C ATOM 1294 C ALA A 84 -8.670 16.686 2.015 1.00 0.00 C ATOM 1295 O ALA A 84 -8.350 15.501 1.954 1.00 0.00 O ATOM 1296 CB ALA A 84 -8.488 16.515 4.504 1.00 0.00 C ATOM 0 H ALA A 84 -10.944 16.715 3.955 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.591 18.325 3.373 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -7.409 16.409 4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -8.708 17.021 5.444 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.951 15.528 4.506 1.00 0.00 H new ATOM 1302 N ALA A 85 -8.716 17.477 0.946 1.00 0.00 N ATOM 1303 CA ALA A 85 -8.465 16.967 -0.396 1.00 0.00 C ATOM 1304 C ALA A 85 -6.984 17.026 -0.740 1.00 0.00 C ATOM 1305 O ALA A 85 -6.375 18.095 -0.718 1.00 0.00 O ATOM 1306 CB ALA A 85 -9.286 17.743 -1.417 1.00 0.00 C ATOM 0 H ALA A 85 -8.925 18.475 0.985 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.770 15.921 -0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.089 17.352 -2.415 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -10.346 17.636 -1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.011 18.797 -1.380 1.00 0.00 H new ATOM 1312 N ASN A 86 -6.411 15.872 -1.063 1.00 0.00 N ATOM 1313 CA ASN A 86 -5.038 15.808 -1.556 1.00 0.00 C ATOM 1314 C ASN A 86 -4.868 14.678 -2.560 1.00 0.00 C ATOM 1315 O ASN A 86 -5.804 13.928 -2.828 1.00 0.00 O ATOM 1316 CB ASN A 86 -4.046 15.654 -0.418 1.00 0.00 C ATOM 1317 CG ASN A 86 -4.010 14.271 0.169 1.00 0.00 C ATOM 1318 OD1 ASN A 86 -4.735 13.369 -0.267 1.00 0.00 O ATOM 1319 ND2 ASN A 86 -3.227 14.116 1.207 1.00 0.00 N ATOM 0 H ASN A 86 -6.876 14.967 -0.993 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.832 16.752 -2.060 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.050 15.912 -0.778 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.295 16.367 0.368 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.197 13.220 1.694 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.647 14.891 1.529 1.00 0.00 H new ATOM 1326 N PRO A 87 -3.664 14.562 -3.115 1.00 0.00 N ATOM 1327 CA PRO A 87 -3.394 13.585 -4.159 1.00 0.00 C ATOM 1328 C PRO A 87 -3.692 12.171 -3.683 1.00 0.00 C ATOM 1329 O PRO A 87 -3.975 11.278 -4.483 1.00 0.00 O ATOM 1330 CB PRO A 87 -1.910 13.783 -4.482 1.00 0.00 C ATOM 1331 CG PRO A 87 -1.639 15.205 -4.123 1.00 0.00 C ATOM 1332 CD PRO A 87 -2.489 15.480 -2.912 1.00 0.00 C ATOM 0 HA PRO A 87 -4.024 13.723 -5.038 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.284 13.102 -3.906 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.704 13.593 -5.535 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.582 15.361 -3.905 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.897 15.874 -4.944 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.958 15.259 -1.986 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.796 16.525 -2.862 1.00 0.00 H new ATOM 1340 N GLN A 88 -3.632 11.970 -2.370 1.00 0.00 N ATOM 1341 CA GLN A 88 -3.719 10.632 -1.793 1.00 0.00 C ATOM 1342 C GLN A 88 -5.164 10.266 -1.474 1.00 0.00 C ATOM 1343 O GLN A 88 -5.452 9.141 -1.067 1.00 0.00 O ATOM 1344 CB GLN A 88 -2.869 10.537 -0.524 1.00 0.00 C ATOM 1345 CG GLN A 88 -1.394 10.828 -0.740 1.00 0.00 C ATOM 1346 CD GLN A 88 -0.765 9.898 -1.760 1.00 0.00 C ATOM 1347 OE1 GLN A 88 -0.959 8.680 -1.715 1.00 0.00 O ATOM 1348 NE2 GLN A 88 -0.003 10.467 -2.687 1.00 0.00 N ATOM 0 H GLN A 88 -3.523 12.717 -1.685 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.337 9.927 -2.531 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.261 11.235 0.216 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.973 9.536 -0.105 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.275 11.860 -1.071 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.865 10.734 0.208 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.130 11.478 -2.687 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.449 9.893 -3.399 1.00 0.00 H new ATOM 1357 N GLY A 89 -6.067 11.220 -1.661 1.00 0.00 N ATOM 1358 CA GLY A 89 -7.492 10.974 -1.480 1.00 0.00 C ATOM 1359 C GLY A 89 -8.175 12.150 -0.796 1.00 0.00 C ATOM 1360 O GLY A 89 -7.572 13.211 -0.618 1.00 0.00 O ATOM 0 H GLY A 89 -5.837 12.174 -1.939 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.958 10.794 -2.449 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.635 10.072 -0.885 1.00 0.00 H new ATOM 1364 N ARG A 90 -9.432 11.959 -0.415 1.00 0.00 N ATOM 1365 CA ARG A 90 -10.206 13.014 0.229 1.00 0.00 C ATOM 1366 C ARG A 90 -10.870 12.510 1.508 1.00 0.00 C ATOM 1367 O ARG A 90 -11.283 11.353 1.585 1.00 0.00 O ATOM 1368 CB ARG A 90 -11.221 13.640 -0.718 1.00 0.00 C ATOM 1369 CG ARG A 90 -10.629 14.235 -1.986 1.00 0.00 C ATOM 1370 CD ARG A 90 -11.625 14.872 -2.885 1.00 0.00 C ATOM 1371 NE ARG A 90 -11.065 15.431 -4.105 1.00 0.00 N ATOM 1372 CZ ARG A 90 -11.785 16.028 -5.075 1.00 0.00 C ATOM 1373 NH1 ARG A 90 -13.094 16.113 -4.991 1.00 0.00 N1+ ATOM 1374 NH2 ARG A 90 -11.142 16.506 -6.126 1.00 0.00 N ATOM 0 H ARG A 90 -9.938 11.082 -0.541 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.506 13.802 0.506 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -11.953 12.882 -0.997 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -11.761 14.422 -0.184 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.880 14.977 -1.710 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.112 13.448 -2.535 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.380 14.132 -3.152 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.135 15.665 -2.338 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.055 15.367 -4.236 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.580 15.724 -4.183 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.624 16.568 -5.734 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.128 16.418 -6.187 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.660 16.963 -6.876 1.00 0.00 H new ATOM 1388 N VAL A 91 -10.964 13.383 2.501 1.00 0.00 N ATOM 1389 CA VAL A 91 -11.641 13.055 3.750 1.00 0.00 C ATOM 1390 C VAL A 91 -12.571 14.180 4.185 1.00 0.00 C ATOM 1391 O VAL A 91 -12.165 15.340 4.262 1.00 0.00 O ATOM 1392 CB VAL A 91 -10.635 12.768 4.880 1.00 0.00 C ATOM 1393 CG1 VAL A 91 -11.365 12.382 6.158 1.00 0.00 C ATOM 1394 CG2 VAL A 91 -9.670 11.668 4.467 1.00 0.00 C ATOM 0 H VAL A 91 -10.579 14.327 2.467 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.228 12.156 3.562 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.063 13.676 5.070 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.639 12.183 6.946 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -12.018 13.199 6.465 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.962 11.487 5.980 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.966 11.478 5.277 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.228 10.757 4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.123 11.979 3.577 1.00 0.00 H new ATOM 1404 N SER A 92 -13.823 13.832 4.468 1.00 0.00 N ATOM 1405 CA SER A 92 -14.820 14.814 4.868 1.00 0.00 C ATOM 1406 C SER A 92 -15.035 14.804 6.375 1.00 0.00 C ATOM 1407 O SER A 92 -15.075 13.743 7.000 1.00 0.00 O ATOM 1408 CB SER A 92 -16.127 14.552 4.146 1.00 0.00 C ATOM 1409 OG SER A 92 -17.160 15.376 4.611 1.00 0.00 O ATOM 0 H SER A 92 -14.170 12.874 4.427 1.00 0.00 H new ATOM 0 HA SER A 92 -14.452 15.802 4.592 1.00 0.00 H new ATOM 0 HB2 SER A 92 -15.989 14.713 3.077 1.00 0.00 H new ATOM 0 HB3 SER A 92 -16.410 13.508 4.277 1.00 0.00 H new ATOM 0 HG SER A 92 -17.984 15.177 4.119 1.00 0.00 H new ATOM 1415 N CYS A 93 -15.173 15.990 6.957 1.00 0.00 N ATOM 1416 CA CYS A 93 -15.533 16.116 8.364 1.00 0.00 C ATOM 1417 C CYS A 93 -16.595 17.189 8.570 1.00 0.00 C ATOM 1418 O CYS A 93 -16.449 18.317 8.099 1.00 0.00 O ATOM 1419 CB CYS A 93 -14.214 16.534 9.013 1.00 0.00 C ATOM 1420 SG CYS A 93 -14.305 16.782 10.803 1.00 0.00 S ATOM 0 H CYS A 93 -15.041 16.879 6.475 1.00 0.00 H new ATOM 0 HA CYS A 93 -15.957 15.202 8.780 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -13.463 15.773 8.802 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -13.871 17.458 8.548 1.00 0.00 H new ATOM 0 HG CYS A 93 -13.136 17.131 11.253 1.00 0.00 H new ATOM 1426 N THR A 94 -17.662 16.831 9.276 1.00 0.00 N ATOM 1427 CA THR A 94 -18.818 17.710 9.410 1.00 0.00 C ATOM 1428 C THR A 94 -18.507 18.892 10.317 1.00 0.00 C ATOM 1429 O THR A 94 -18.016 18.719 11.432 1.00 0.00 O ATOM 1430 CB THR A 94 -20.040 16.957 9.969 1.00 0.00 C ATOM 1431 OG1 THR A 94 -20.368 15.863 9.102 1.00 0.00 O ATOM 1432 CG2 THR A 94 -21.237 17.889 10.079 1.00 0.00 C ATOM 0 H THR A 94 -17.750 15.940 9.764 1.00 0.00 H new ATOM 0 HA THR A 94 -19.053 18.073 8.410 1.00 0.00 H new ATOM 0 HB THR A 94 -19.793 16.581 10.962 1.00 0.00 H new ATOM 0 HG1 THR A 94 -21.144 15.384 9.460 1.00 0.00 H new ATOM 0 HG21 THR A 94 -22.091 17.340 10.476 1.00 0.00 H new ATOM 0 HG22 THR A 94 -20.995 18.715 10.748 1.00 0.00 H new ATOM 0 HG23 THR A 94 -21.485 18.281 9.093 1.00 0.00 H new ATOM 1440 N GLY A 95 -18.795 20.096 9.831 1.00 0.00 N ATOM 1441 CA GLY A 95 -18.622 21.306 10.626 1.00 0.00 C ATOM 1442 C GLY A 95 -19.958 21.805 11.165 1.00 0.00 C ATOM 1443 O GLY A 95 -20.360 22.936 10.893 1.00 0.00 O ATOM 0 H GLY A 95 -19.150 20.259 8.889 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.944 21.106 11.455 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.160 22.082 10.016 1.00 0.00 H new ATOM 1447 N ARG A 96 -20.634 20.958 11.930 1.00 0.00 N ATOM 1448 CA ARG A 96 -21.959 21.283 12.448 1.00 0.00 C ATOM 1449 C ARG A 96 -21.946 22.608 13.203 1.00 0.00 C ATOM 1450 O ARG A 96 -21.373 22.708 14.285 1.00 0.00 O ATOM 1451 CB ARG A 96 -22.532 20.161 13.304 1.00 0.00 C ATOM 1452 CG ARG A 96 -23.944 20.404 13.814 1.00 0.00 C ATOM 1453 CD ARG A 96 -24.533 19.258 14.552 1.00 0.00 C ATOM 1454 NE ARG A 96 -25.901 19.467 14.996 1.00 0.00 N ATOM 1455 CZ ARG A 96 -26.588 18.618 15.786 1.00 0.00 C ATOM 1456 NH1 ARG A 96 -26.053 17.488 16.190 1.00 0.00 N1+ ATOM 1457 NH2 ARG A 96 -27.824 18.941 16.125 1.00 0.00 N ATOM 0 H ARG A 96 -20.287 20.039 12.207 1.00 0.00 H new ATOM 0 HA ARG A 96 -22.620 21.394 11.589 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -22.525 19.239 12.722 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -21.874 20.003 14.159 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -23.937 21.277 14.467 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -24.587 20.645 12.968 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -24.503 18.376 13.912 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -23.911 19.043 15.421 1.00 0.00 H new ATOM 0 HE ARG A 96 -26.375 20.316 14.688 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -25.105 17.243 15.906 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -26.586 16.856 16.788 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -28.233 19.813 15.790 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -28.368 18.318 16.722 1.00 0.00 H new ATOM 1471 N LEU A 97 -22.579 23.620 12.622 1.00 0.00 N ATOM 1472 CA LEU A 97 -22.812 24.879 13.320 1.00 0.00 C ATOM 1473 C LEU A 97 -24.298 25.116 13.553 1.00 0.00 C ATOM 1474 O LEU A 97 -25.041 25.433 12.622 1.00 0.00 O ATOM 1475 CB LEU A 97 -22.203 26.044 12.529 1.00 0.00 C ATOM 1476 CG LEU A 97 -20.810 26.490 12.991 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -19.746 25.577 12.396 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -20.573 27.934 12.575 1.00 0.00 C ATOM 0 H LEU A 97 -22.940 23.594 11.669 1.00 0.00 H new ATOM 0 HA LEU A 97 -22.327 24.819 14.294 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -22.146 25.758 11.479 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -22.879 26.897 12.591 1.00 0.00 H new ATOM 0 HG LEU A 97 -20.749 26.424 14.077 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -18.760 25.901 12.730 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -19.921 24.552 12.724 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -19.794 25.623 11.308 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -19.583 28.250 12.904 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -20.638 28.015 11.490 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -21.328 28.573 13.033 1.00 0.00 H new ATOM 1490 N MET A 98 -24.726 24.957 14.800 1.00 0.00 N ATOM 1491 CA MET A 98 -26.125 25.172 15.163 1.00 0.00 C ATOM 1492 C MET A 98 -26.335 26.571 15.728 1.00 0.00 C ATOM 1493 O MET A 98 -25.602 27.013 16.613 1.00 0.00 O ATOM 1494 CB MET A 98 -26.577 24.120 16.173 1.00 0.00 C ATOM 1495 CG MET A 98 -28.064 24.155 16.494 1.00 0.00 C ATOM 1496 SD MET A 98 -28.560 22.846 17.633 1.00 0.00 S ATOM 1497 CE MET A 98 -27.868 23.453 19.168 1.00 0.00 C ATOM 0 H MET A 98 -24.126 24.680 15.577 1.00 0.00 H new ATOM 0 HA MET A 98 -26.728 25.077 14.260 1.00 0.00 H new ATOM 0 HB2 MET A 98 -26.324 23.132 15.788 1.00 0.00 H new ATOM 0 HB3 MET A 98 -26.015 24.256 17.097 1.00 0.00 H new ATOM 0 HG2 MET A 98 -28.316 25.123 16.927 1.00 0.00 H new ATOM 0 HG3 MET A 98 -28.634 24.062 15.569 1.00 0.00 H new ATOM 0 HE1 MET A 98 -28.459 23.083 20.005 1.00 0.00 H new ATOM 0 HE2 MET A 98 -26.840 23.104 19.267 1.00 0.00 H new ATOM 0 HE3 MET A 98 -27.882 24.543 19.168 1.00 0.00 H new ATOM 1507 N VAL A 99 -27.343 27.265 15.211 1.00 0.00 N ATOM 1508 CA VAL A 99 -27.602 28.646 15.602 1.00 0.00 C ATOM 1509 C VAL A 99 -28.915 28.769 16.360 1.00 0.00 C ATOM 1510 O VAL A 99 -29.915 28.150 15.997 1.00 0.00 O ATOM 1511 CB VAL A 99 -27.639 29.583 14.379 1.00 0.00 C ATOM 1512 CG1 VAL A 99 -27.930 31.012 14.813 1.00 0.00 C ATOM 1513 CG2 VAL A 99 -26.326 29.515 13.616 1.00 0.00 C ATOM 0 H VAL A 99 -27.995 26.894 14.520 1.00 0.00 H new ATOM 0 HA VAL A 99 -26.781 28.945 16.254 1.00 0.00 H new ATOM 0 HB VAL A 99 -28.439 29.254 13.716 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -27.953 31.661 13.937 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -28.895 31.050 15.318 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -27.151 31.351 15.495 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -26.370 30.183 12.756 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -25.509 29.819 14.270 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -26.156 28.494 13.274 1.00 0.00 H new ATOM 1523 N GLN A 100 -28.909 29.572 17.421 1.00 0.00 N ATOM 1524 CA GLN A 100 -30.092 29.763 18.245 1.00 0.00 C ATOM 1525 C GLN A 100 -30.444 31.239 18.375 1.00 0.00 C ATOM 1526 O GLN A 100 -29.580 32.077 18.628 1.00 0.00 O ATOM 1527 CB GLN A 100 -29.878 29.157 19.635 1.00 0.00 C ATOM 1528 CG GLN A 100 -31.086 29.259 20.551 1.00 0.00 C ATOM 1529 CD GLN A 100 -30.870 28.551 21.875 1.00 0.00 C ATOM 1530 OE1 GLN A 100 -29.792 28.012 22.138 1.00 0.00 O ATOM 1531 NE2 GLN A 100 -31.898 28.545 22.717 1.00 0.00 N ATOM 0 H GLN A 100 -28.093 30.101 17.728 1.00 0.00 H new ATOM 0 HA GLN A 100 -30.922 29.255 17.755 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -29.608 28.107 19.524 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -29.033 29.655 20.110 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -31.310 30.309 20.736 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -31.955 28.831 20.051 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -32.772 29.003 22.458 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -31.813 28.082 23.622 1.00 0.00 H new