USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 587 hydrogens (13 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 NoAdj-H: B 75 DAR HXT : B 75 DAR OXT : B 75 DAR C :(short bond) USER MOD NoAdj-H: B 75 DAR H2 : B 75 DAR N : B 74 GLY C :(H bumps) USER MOD NoAdj-H: B 75 DAR H : B 75 DAR N : B 74 GLY C :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -146:sc= -0.298 (180deg=-1.4!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc=-0.00305 (180deg=-0.00305) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -168:sc= -0.839 (180deg=-1.31) USER MOD Single : A 13 TYR OH : rot 82:sc= -3.01! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -3.34! K(o=-3.3!,f=-0.96) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -107:sc= -1.2 USER MOD Single : A 27 SER OG : rot 64:sc= 0.457 USER MOD Single : A 29 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.2) USER MOD Single : A 30 ASN : amide:sc= -3.61! C(o=-3.6!,f=-11!) USER MOD Single : A 33 THR OG1 : rot 180:sc= -2.64! USER MOD Single : A 36 GLN : amide:sc= -0.131 K(o=-0.13,f=-2.5!) USER MOD Single : A 42 SER OG : rot 180:sc= 0.101 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 69:sc= -0.273 USER MOD Single : A 59 SER OG : rot 180:sc= -0.189 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot -87:sc= 1.22 USER MOD Single : A 67 HIS : no HD1:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.177) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.413 -16.670 -1.818 1.00 0.00 N ATOM 2 CA MET A 1 8.311 -17.650 -0.701 1.00 0.00 C ATOM 3 C MET A 1 9.406 -17.367 0.328 1.00 0.00 C ATOM 4 O MET A 1 9.247 -17.624 1.505 1.00 0.00 O ATOM 5 CB MET A 1 8.483 -19.068 -1.251 1.00 0.00 C ATOM 6 CG MET A 1 7.465 -19.310 -2.367 1.00 0.00 C ATOM 7 SD MET A 1 8.338 -19.712 -3.901 1.00 0.00 S ATOM 8 CE MET A 1 7.133 -20.900 -4.543 1.00 0.00 C ATOM 0 H1 MET A 1 7.461 -16.451 -2.176 1.00 0.00 H new ATOM 0 H2 MET A 1 8.863 -15.797 -1.474 1.00 0.00 H new ATOM 0 H3 MET A 1 8.986 -17.076 -2.585 1.00 0.00 H new ATOM 0 HA MET A 1 7.334 -17.559 -0.226 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.495 -19.201 -1.633 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.345 -19.798 -0.453 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.795 -20.125 -2.093 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.847 -18.423 -2.509 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.477 -21.284 -5.504 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.026 -21.726 -3.840 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.170 -20.407 -4.673 1.00 0.00 H new ATOM 20 N LEU A 2 10.518 -16.838 -0.104 1.00 0.00 N ATOM 21 CA LEU A 2 11.622 -16.539 0.850 1.00 0.00 C ATOM 22 C LEU A 2 11.610 -15.049 1.197 1.00 0.00 C ATOM 23 O LEU A 2 12.344 -14.595 2.051 1.00 0.00 O ATOM 24 CB LEU A 2 12.963 -16.904 0.210 1.00 0.00 C ATOM 25 CG LEU A 2 13.255 -18.385 0.447 1.00 0.00 C ATOM 26 CD1 LEU A 2 14.465 -18.808 -0.388 1.00 0.00 C ATOM 27 CD2 LEU A 2 13.555 -18.613 1.930 1.00 0.00 C ATOM 0 H LEU A 2 10.709 -16.600 -1.077 1.00 0.00 H new ATOM 0 HA LEU A 2 11.483 -17.123 1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 2 12.937 -16.694 -0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 2 13.759 -16.293 0.635 1.00 0.00 H new ATOM 0 HG LEU A 2 12.388 -18.977 0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 2 14.673 -19.865 -0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 2 14.253 -18.645 -1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 2 15.333 -18.216 -0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 2 13.764 -19.669 2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 2 14.422 -18.020 2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 2 12.693 -18.312 2.526 1.00 0.00 H new ATOM 39 N GLN A 3 10.780 -14.282 0.541 1.00 0.00 N ATOM 40 CA GLN A 3 10.724 -12.823 0.836 1.00 0.00 C ATOM 41 C GLN A 3 9.349 -12.276 0.447 1.00 0.00 C ATOM 42 O GLN A 3 8.385 -13.009 0.342 1.00 0.00 O ATOM 43 CB GLN A 3 11.810 -12.099 0.036 1.00 0.00 C ATOM 44 CG GLN A 3 11.525 -12.244 -1.461 1.00 0.00 C ATOM 45 CD GLN A 3 12.555 -11.442 -2.257 1.00 0.00 C ATOM 46 OE1 GLN A 3 13.342 -12.003 -2.994 1.00 0.00 O ATOM 47 NE2 GLN A 3 12.584 -10.142 -2.140 1.00 0.00 N ATOM 0 H GLN A 3 10.140 -14.603 -0.185 1.00 0.00 H new ATOM 0 HA GLN A 3 10.890 -12.660 1.901 1.00 0.00 H new ATOM 0 HB2 GLN A 3 11.837 -11.045 0.311 1.00 0.00 H new ATOM 0 HB3 GLN A 3 12.789 -12.515 0.272 1.00 0.00 H new ATOM 0 HG2 GLN A 3 11.565 -13.294 -1.749 1.00 0.00 H new ATOM 0 HG3 GLN A 3 10.519 -11.889 -1.686 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.924 -9.671 -1.522 1.00 0.00 H new ATOM 0 HE22 GLN A 3 13.267 -9.598 -2.667 1.00 0.00 H new ATOM 56 N LYS A 4 9.248 -10.991 0.236 1.00 0.00 N ATOM 57 CA LYS A 4 7.934 -10.399 -0.143 1.00 0.00 C ATOM 58 C LYS A 4 7.881 -10.193 -1.658 1.00 0.00 C ATOM 59 O LYS A 4 8.786 -10.563 -2.378 1.00 0.00 O ATOM 60 CB LYS A 4 7.762 -9.050 0.559 1.00 0.00 C ATOM 61 CG LYS A 4 8.997 -8.181 0.310 1.00 0.00 C ATOM 62 CD LYS A 4 9.672 -7.857 1.644 1.00 0.00 C ATOM 63 CE LYS A 4 8.748 -6.971 2.481 1.00 0.00 C ATOM 64 NZ LYS A 4 9.313 -5.594 2.550 1.00 0.00 N ATOM 0 H LYS A 4 10.018 -10.327 0.310 1.00 0.00 H new ATOM 0 HA LYS A 4 7.133 -11.074 0.159 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.870 -8.546 0.187 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.621 -9.201 1.629 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.695 -8.702 -0.345 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.710 -7.260 -0.197 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.897 -8.777 2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.621 -7.349 1.470 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.752 -6.946 2.039 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.641 -7.383 3.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.686 -4.990 3.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.255 -5.627 2.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.393 -5.203 1.590 1.00 0.00 H new ATOM 78 N LYS A 5 6.823 -9.604 -2.148 1.00 0.00 N ATOM 79 CA LYS A 5 6.710 -9.374 -3.616 1.00 0.00 C ATOM 80 C LYS A 5 6.309 -7.918 -3.873 1.00 0.00 C ATOM 81 O LYS A 5 7.143 -7.037 -3.924 1.00 0.00 O ATOM 82 CB LYS A 5 5.650 -10.310 -4.199 1.00 0.00 C ATOM 83 CG LYS A 5 6.161 -11.752 -4.149 1.00 0.00 C ATOM 84 CD LYS A 5 5.406 -12.597 -5.178 1.00 0.00 C ATOM 85 CE LYS A 5 5.579 -14.080 -4.846 1.00 0.00 C ATOM 86 NZ LYS A 5 6.958 -14.513 -5.210 1.00 0.00 N ATOM 0 H LYS A 5 6.033 -9.273 -1.595 1.00 0.00 H new ATOM 0 HA LYS A 5 7.670 -9.575 -4.092 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.722 -10.222 -3.635 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.426 -10.028 -5.228 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.231 -11.777 -4.356 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.020 -12.165 -3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.348 -12.334 -5.175 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.783 -12.391 -6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.402 -14.249 -3.784 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.844 -14.674 -5.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.076 -15.521 -4.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.111 -14.366 -6.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.651 -13.954 -4.672 1.00 0.00 H new ATOM 100 N ILE A 6 5.038 -7.655 -4.032 1.00 0.00 N ATOM 101 CA ILE A 6 4.599 -6.253 -4.280 1.00 0.00 C ATOM 102 C ILE A 6 5.007 -5.385 -3.081 1.00 0.00 C ATOM 103 O ILE A 6 5.137 -4.182 -3.190 1.00 0.00 O ATOM 104 CB ILE A 6 3.071 -6.226 -4.480 1.00 0.00 C ATOM 105 CG1 ILE A 6 2.755 -6.356 -5.975 1.00 0.00 C ATOM 106 CG2 ILE A 6 2.475 -4.912 -3.957 1.00 0.00 C ATOM 107 CD1 ILE A 6 3.091 -5.043 -6.688 1.00 0.00 C ATOM 0 H ILE A 6 4.290 -8.347 -4.001 1.00 0.00 H new ATOM 0 HA ILE A 6 5.073 -5.859 -5.179 1.00 0.00 H new ATOM 0 HB ILE A 6 2.634 -7.056 -3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.330 -7.174 -6.409 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.701 -6.598 -6.114 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.396 -4.916 -4.109 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.691 -4.812 -2.893 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.914 -4.073 -4.497 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.866 -5.138 -7.750 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.497 -4.235 -6.262 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.150 -4.820 -6.560 1.00 0.00 H new ATOM 119 N GLU A 7 5.212 -5.987 -1.940 1.00 0.00 N ATOM 120 CA GLU A 7 5.614 -5.194 -0.744 1.00 0.00 C ATOM 121 C GLU A 7 6.722 -4.215 -1.132 1.00 0.00 C ATOM 122 O GLU A 7 6.532 -3.012 -1.132 1.00 0.00 O ATOM 123 CB GLU A 7 6.125 -6.138 0.346 1.00 0.00 C ATOM 124 CG GLU A 7 5.784 -5.564 1.722 1.00 0.00 C ATOM 125 CD GLU A 7 5.200 -6.668 2.605 1.00 0.00 C ATOM 126 OE1 GLU A 7 5.951 -7.545 2.998 1.00 0.00 O ATOM 127 OE2 GLU A 7 4.010 -6.619 2.873 1.00 0.00 O ATOM 0 H GLU A 7 5.119 -6.991 -1.785 1.00 0.00 H new ATOM 0 HA GLU A 7 4.754 -4.639 -0.369 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.673 -7.123 0.229 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.203 -6.269 0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.678 -5.148 2.186 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.068 -4.748 1.620 1.00 0.00 H new ATOM 134 N GLU A 8 7.879 -4.713 -1.468 1.00 0.00 N ATOM 135 CA GLU A 8 8.985 -3.800 -1.859 1.00 0.00 C ATOM 136 C GLU A 8 8.623 -3.123 -3.176 1.00 0.00 C ATOM 137 O GLU A 8 8.995 -1.991 -3.416 1.00 0.00 O ATOM 138 CB GLU A 8 10.284 -4.593 -2.019 1.00 0.00 C ATOM 139 CG GLU A 8 10.147 -5.563 -3.195 1.00 0.00 C ATOM 140 CD GLU A 8 11.507 -6.197 -3.494 1.00 0.00 C ATOM 141 OE1 GLU A 8 12.509 -5.537 -3.271 1.00 0.00 O ATOM 142 OE2 GLU A 8 11.523 -7.332 -3.941 1.00 0.00 O ATOM 0 H GLU A 8 8.105 -5.708 -1.488 1.00 0.00 H new ATOM 0 HA GLU A 8 9.130 -3.046 -1.086 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.119 -3.913 -2.189 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.502 -5.143 -1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.417 -6.337 -2.959 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.778 -5.035 -4.075 1.00 0.00 H new ATOM 149 N ILE A 9 7.870 -3.779 -4.021 1.00 0.00 N ATOM 150 CA ILE A 9 7.467 -3.117 -5.291 1.00 0.00 C ATOM 151 C ILE A 9 6.929 -1.745 -4.904 1.00 0.00 C ATOM 152 O ILE A 9 7.038 -0.779 -5.631 1.00 0.00 O ATOM 153 CB ILE A 9 6.376 -3.932 -5.988 1.00 0.00 C ATOM 154 CG1 ILE A 9 6.954 -5.278 -6.431 1.00 0.00 C ATOM 155 CG2 ILE A 9 5.873 -3.167 -7.213 1.00 0.00 C ATOM 156 CD1 ILE A 9 8.008 -5.050 -7.515 1.00 0.00 C ATOM 0 H ILE A 9 7.523 -4.729 -3.888 1.00 0.00 H new ATOM 0 HA ILE A 9 8.308 -3.035 -5.980 1.00 0.00 H new ATOM 0 HB ILE A 9 5.548 -4.099 -5.298 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.399 -5.793 -5.579 1.00 0.00 H new ATOM 0 HG13 ILE A 9 6.159 -5.919 -6.811 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.096 -3.747 -7.710 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.464 -2.206 -6.900 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.700 -3.002 -7.904 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.419 -6.009 -7.830 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.549 -4.553 -8.370 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.808 -4.425 -7.119 1.00 0.00 H new ATOM 168 N ALA A 10 6.390 -1.666 -3.717 1.00 0.00 N ATOM 169 CA ALA A 10 5.879 -0.376 -3.197 1.00 0.00 C ATOM 170 C ALA A 10 7.037 0.301 -2.471 1.00 0.00 C ATOM 171 O ALA A 10 7.184 1.508 -2.488 1.00 0.00 O ATOM 172 CB ALA A 10 4.734 -0.633 -2.214 1.00 0.00 C ATOM 0 H ALA A 10 6.283 -2.456 -3.080 1.00 0.00 H new ATOM 0 HA ALA A 10 5.504 0.251 -4.006 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.361 0.318 -1.834 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.928 -1.161 -2.724 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.097 -1.239 -1.384 1.00 0.00 H new ATOM 178 N ALA A 11 7.872 -0.483 -1.834 1.00 0.00 N ATOM 179 CA ALA A 11 9.036 0.097 -1.112 1.00 0.00 C ATOM 180 C ALA A 11 9.826 0.991 -2.068 1.00 0.00 C ATOM 181 O ALA A 11 10.568 1.860 -1.656 1.00 0.00 O ATOM 182 CB ALA A 11 9.953 -1.017 -0.608 1.00 0.00 C ATOM 0 H ALA A 11 7.794 -1.499 -1.785 1.00 0.00 H new ATOM 0 HA ALA A 11 8.673 0.677 -0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.801 -0.580 -0.081 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.399 -1.665 0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.314 -1.602 -1.454 1.00 0.00 H new ATOM 188 N LYS A 12 9.682 0.768 -3.348 1.00 0.00 N ATOM 189 CA LYS A 12 10.435 1.587 -4.340 1.00 0.00 C ATOM 190 C LYS A 12 9.578 2.762 -4.815 1.00 0.00 C ATOM 191 O LYS A 12 10.094 3.782 -5.227 1.00 0.00 O ATOM 192 CB LYS A 12 10.810 0.711 -5.538 1.00 0.00 C ATOM 193 CG LYS A 12 12.211 0.135 -5.330 1.00 0.00 C ATOM 194 CD LYS A 12 12.108 -1.356 -5.006 1.00 0.00 C ATOM 195 CE LYS A 12 12.185 -2.167 -6.300 1.00 0.00 C ATOM 196 NZ LYS A 12 11.019 -1.832 -7.167 1.00 0.00 N ATOM 0 H LYS A 12 9.075 0.053 -3.748 1.00 0.00 H new ATOM 0 HA LYS A 12 11.338 1.976 -3.869 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.087 -0.096 -5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.779 1.299 -6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.813 0.282 -6.227 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.715 0.660 -4.518 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.913 -1.649 -4.333 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.170 -1.563 -4.490 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.116 -1.949 -6.824 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.189 -3.233 -6.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.956 -2.519 -7.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.146 -1.867 -6.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.141 -0.876 -7.558 1.00 0.00 H new ATOM 210 N TYR A 13 8.278 2.640 -4.763 1.00 0.00 N ATOM 211 CA TYR A 13 7.419 3.772 -5.215 1.00 0.00 C ATOM 212 C TYR A 13 7.900 5.028 -4.477 1.00 0.00 C ATOM 213 O TYR A 13 7.537 5.260 -3.348 1.00 0.00 O ATOM 214 CB TYR A 13 5.935 3.460 -4.910 1.00 0.00 C ATOM 215 CG TYR A 13 5.383 2.576 -6.007 1.00 0.00 C ATOM 216 CD1 TYR A 13 6.173 1.528 -6.481 1.00 0.00 C ATOM 217 CD2 TYR A 13 4.096 2.787 -6.558 1.00 0.00 C ATOM 218 CE1 TYR A 13 5.705 0.689 -7.491 1.00 0.00 C ATOM 219 CE2 TYR A 13 3.640 1.946 -7.568 1.00 0.00 C ATOM 220 CZ TYR A 13 4.440 0.899 -8.033 1.00 0.00 C ATOM 221 OH TYR A 13 3.970 0.070 -9.025 1.00 0.00 O ATOM 0 H TYR A 13 7.779 1.815 -4.431 1.00 0.00 H new ATOM 0 HA TYR A 13 7.496 3.928 -6.291 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.845 2.962 -3.944 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.361 4.384 -4.847 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.155 1.366 -6.062 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.474 3.593 -6.198 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.322 -0.121 -7.852 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.661 2.103 -7.996 1.00 0.00 H new ATOM 0 HH TYR A 13 3.601 -0.744 -8.623 1.00 0.00 H new ATOM 231 N LYS A 14 8.755 5.797 -5.126 1.00 0.00 N ATOM 232 CA LYS A 14 9.364 7.040 -4.523 1.00 0.00 C ATOM 233 C LYS A 14 8.930 7.254 -3.068 1.00 0.00 C ATOM 234 O LYS A 14 7.816 7.646 -2.782 1.00 0.00 O ATOM 235 CB LYS A 14 8.966 8.259 -5.359 1.00 0.00 C ATOM 236 CG LYS A 14 10.223 8.941 -5.900 1.00 0.00 C ATOM 237 CD LYS A 14 11.057 7.926 -6.685 1.00 0.00 C ATOM 238 CE LYS A 14 12.472 7.874 -6.107 1.00 0.00 C ATOM 239 NZ LYS A 14 13.352 8.809 -6.864 1.00 0.00 N ATOM 0 H LYS A 14 9.065 5.608 -6.079 1.00 0.00 H new ATOM 0 HA LYS A 14 10.446 6.911 -4.527 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.322 7.953 -6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.393 8.959 -4.751 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.948 9.777 -6.543 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.809 9.351 -5.078 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.594 6.940 -6.632 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.093 8.205 -7.738 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.456 8.147 -5.052 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.864 6.859 -6.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.314 8.774 -6.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.376 8.529 -7.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.980 9.777 -6.784 1.00 0.00 H new ATOM 253 N HIS A 15 9.819 6.993 -2.146 1.00 0.00 N ATOM 254 CA HIS A 15 9.495 7.165 -0.701 1.00 0.00 C ATOM 255 C HIS A 15 8.753 8.485 -0.472 1.00 0.00 C ATOM 256 O HIS A 15 8.012 8.627 0.480 1.00 0.00 O ATOM 257 CB HIS A 15 10.792 7.167 0.112 1.00 0.00 C ATOM 258 CG HIS A 15 11.700 8.259 -0.383 1.00 0.00 C ATOM 259 ND1 HIS A 15 12.642 8.857 0.435 1.00 0.00 N ATOM 260 CD2 HIS A 15 11.825 8.866 -1.608 1.00 0.00 C ATOM 261 CE1 HIS A 15 13.290 9.778 -0.300 1.00 0.00 C ATOM 262 NE2 HIS A 15 12.832 9.826 -1.553 1.00 0.00 N ATOM 0 H HIS A 15 10.766 6.664 -2.336 1.00 0.00 H new ATOM 0 HA HIS A 15 8.856 6.341 -0.383 1.00 0.00 H new ATOM 0 HB2 HIS A 15 10.570 7.317 1.169 1.00 0.00 H new ATOM 0 HB3 HIS A 15 11.289 6.201 0.025 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.233 8.634 -2.481 1.00 0.00 H new ATOM 0 HE1 HIS A 15 14.085 10.404 0.078 1.00 0.00 H new ATOM 0 HE2 HIS A 15 13.151 10.434 -2.307 1.00 0.00 H new ATOM 270 N SER A 16 8.945 9.452 -1.330 1.00 0.00 N ATOM 271 CA SER A 16 8.246 10.758 -1.146 1.00 0.00 C ATOM 272 C SER A 16 6.792 10.500 -0.753 1.00 0.00 C ATOM 273 O SER A 16 6.413 10.630 0.394 1.00 0.00 O ATOM 274 CB SER A 16 8.292 11.549 -2.454 1.00 0.00 C ATOM 275 OG SER A 16 8.731 12.875 -2.185 1.00 0.00 O ATOM 0 H SER A 16 9.553 9.395 -2.147 1.00 0.00 H new ATOM 0 HA SER A 16 8.739 11.331 -0.361 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.967 11.066 -3.161 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.305 11.567 -2.917 1.00 0.00 H new ATOM 0 HG SER A 16 8.763 13.385 -3.021 1.00 0.00 H new ATOM 281 N VAL A 17 5.979 10.122 -1.696 1.00 0.00 N ATOM 282 CA VAL A 17 4.550 9.837 -1.387 1.00 0.00 C ATOM 283 C VAL A 17 4.144 8.555 -2.112 1.00 0.00 C ATOM 284 O VAL A 17 3.616 7.634 -1.523 1.00 0.00 O ATOM 285 CB VAL A 17 3.669 10.997 -1.864 1.00 0.00 C ATOM 286 CG1 VAL A 17 3.492 12.005 -0.727 1.00 0.00 C ATOM 287 CG2 VAL A 17 4.329 11.691 -3.059 1.00 0.00 C ATOM 0 H VAL A 17 6.243 9.997 -2.673 1.00 0.00 H new ATOM 0 HA VAL A 17 4.421 9.719 -0.311 1.00 0.00 H new ATOM 0 HB VAL A 17 2.696 10.608 -2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.865 12.830 -1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.018 11.515 0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.467 12.389 -0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.699 12.515 -3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.304 12.077 -2.762 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.454 10.976 -3.872 1.00 0.00 H new ATOM 297 N VAL A 18 4.406 8.489 -3.386 1.00 0.00 N ATOM 298 CA VAL A 18 4.058 7.274 -4.175 1.00 0.00 C ATOM 299 C VAL A 18 4.386 6.009 -3.372 1.00 0.00 C ATOM 300 O VAL A 18 3.817 4.964 -3.596 1.00 0.00 O ATOM 301 CB VAL A 18 4.876 7.282 -5.462 1.00 0.00 C ATOM 302 CG1 VAL A 18 6.350 7.318 -5.095 1.00 0.00 C ATOM 303 CG2 VAL A 18 4.590 6.020 -6.273 1.00 0.00 C ATOM 0 H VAL A 18 4.852 9.234 -3.922 1.00 0.00 H new ATOM 0 HA VAL A 18 2.992 7.278 -4.402 1.00 0.00 H new ATOM 0 HB VAL A 18 4.610 8.154 -6.060 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.951 7.324 -6.004 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.559 8.217 -4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.599 6.438 -4.501 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.179 6.036 -7.190 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.857 5.142 -5.685 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.530 5.981 -6.523 1.00 0.00 H new ATOM 313 N LYS A 19 5.303 6.083 -2.443 1.00 0.00 N ATOM 314 CA LYS A 19 5.649 4.872 -1.642 1.00 0.00 C ATOM 315 C LYS A 19 4.460 4.507 -0.740 1.00 0.00 C ATOM 316 O LYS A 19 3.633 3.686 -1.089 1.00 0.00 O ATOM 317 CB LYS A 19 6.903 5.165 -0.794 1.00 0.00 C ATOM 318 CG LYS A 19 6.912 4.317 0.488 1.00 0.00 C ATOM 319 CD LYS A 19 8.297 3.697 0.683 1.00 0.00 C ATOM 320 CE LYS A 19 8.752 3.907 2.128 1.00 0.00 C ATOM 321 NZ LYS A 19 9.968 3.086 2.390 1.00 0.00 N ATOM 0 H LYS A 19 5.825 6.926 -2.205 1.00 0.00 H new ATOM 0 HA LYS A 19 5.861 4.031 -2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.799 4.956 -1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.932 6.223 -0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.655 4.936 1.348 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.157 3.533 0.423 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.266 2.632 0.451 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.011 4.152 -0.004 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.967 4.961 2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.955 3.626 2.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.278 3.228 3.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.748 2.081 2.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.728 3.375 1.742 1.00 0.00 H new ATOM 335 N LYS A 20 4.375 5.105 0.418 1.00 0.00 N ATOM 336 CA LYS A 20 3.250 4.787 1.347 1.00 0.00 C ATOM 337 C LYS A 20 1.937 4.720 0.570 1.00 0.00 C ATOM 338 O LYS A 20 1.009 4.052 0.967 1.00 0.00 O ATOM 339 CB LYS A 20 3.156 5.865 2.428 1.00 0.00 C ATOM 340 CG LYS A 20 4.512 6.008 3.124 1.00 0.00 C ATOM 341 CD LYS A 20 4.331 5.845 4.633 1.00 0.00 C ATOM 342 CE LYS A 20 4.035 7.208 5.262 1.00 0.00 C ATOM 343 NZ LYS A 20 4.432 7.189 6.698 1.00 0.00 N ATOM 0 H LYS A 20 5.037 5.801 0.762 1.00 0.00 H new ATOM 0 HA LYS A 20 3.436 3.821 1.816 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.861 6.816 1.984 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.388 5.601 3.155 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.207 5.257 2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.945 6.983 2.902 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.515 5.153 4.839 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.231 5.417 5.074 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.580 7.990 4.733 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.974 7.440 5.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.231 8.115 7.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.893 6.453 7.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.449 6.986 6.774 1.00 0.00 H new ATOM 357 N CYS A 21 1.858 5.394 -0.540 1.00 0.00 N ATOM 358 CA CYS A 21 0.614 5.349 -1.355 1.00 0.00 C ATOM 359 C CYS A 21 0.451 3.957 -1.952 1.00 0.00 C ATOM 360 O CYS A 21 -0.433 3.214 -1.605 1.00 0.00 O ATOM 361 CB CYS A 21 0.735 6.301 -2.506 1.00 0.00 C ATOM 362 SG CYS A 21 0.946 7.994 -1.899 1.00 0.00 S ATOM 0 H CYS A 21 2.604 5.977 -0.920 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.231 5.608 -0.717 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.584 6.022 -3.130 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.155 6.240 -3.133 1.00 0.00 H new ATOM 367 N CYS A 22 1.304 3.606 -2.872 1.00 0.00 N ATOM 368 CA CYS A 22 1.200 2.273 -3.504 1.00 0.00 C ATOM 369 C CYS A 22 0.971 1.244 -2.403 1.00 0.00 C ATOM 370 O CYS A 22 0.168 0.329 -2.536 1.00 0.00 O ATOM 371 CB CYS A 22 2.470 2.000 -4.294 1.00 0.00 C ATOM 372 SG CYS A 22 2.863 0.222 -4.364 1.00 0.00 S ATOM 0 H CYS A 22 2.069 4.190 -3.211 1.00 0.00 H new ATOM 0 HA CYS A 22 0.364 2.221 -4.201 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.357 2.386 -5.307 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.302 2.537 -3.839 1.00 0.00 H new ATOM 377 N TYR A 23 1.631 1.416 -1.287 1.00 0.00 N ATOM 378 CA TYR A 23 1.396 0.478 -0.173 1.00 0.00 C ATOM 379 C TYR A 23 -0.097 0.523 0.102 1.00 0.00 C ATOM 380 O TYR A 23 -0.764 -0.476 0.102 1.00 0.00 O ATOM 381 CB TYR A 23 2.169 0.920 1.070 1.00 0.00 C ATOM 382 CG TYR A 23 3.558 0.338 1.023 1.00 0.00 C ATOM 383 CD1 TYR A 23 4.560 0.998 0.311 1.00 0.00 C ATOM 384 CD2 TYR A 23 3.844 -0.860 1.689 1.00 0.00 C ATOM 385 CE1 TYR A 23 5.854 0.466 0.264 1.00 0.00 C ATOM 386 CE2 TYR A 23 5.137 -1.394 1.641 1.00 0.00 C ATOM 387 CZ TYR A 23 6.143 -0.730 0.929 1.00 0.00 C ATOM 388 OH TYR A 23 7.417 -1.256 0.882 1.00 0.00 O ATOM 0 H TYR A 23 2.310 2.156 -1.109 1.00 0.00 H new ATOM 0 HA TYR A 23 1.731 -0.528 -0.425 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.219 2.008 1.114 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.653 0.588 1.971 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.337 1.920 -0.205 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.068 -1.371 2.239 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.629 0.979 -0.286 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.359 -2.319 2.153 1.00 0.00 H new ATOM 0 HH TYR A 23 7.423 -2.048 0.305 1.00 0.00 H new ATOM 398 N ASP A 24 -0.621 1.702 0.296 1.00 0.00 N ATOM 399 CA ASP A 24 -2.082 1.862 0.538 1.00 0.00 C ATOM 400 C ASP A 24 -2.862 1.008 -0.466 1.00 0.00 C ATOM 401 O ASP A 24 -3.755 0.256 -0.105 1.00 0.00 O ATOM 402 CB ASP A 24 -2.469 3.349 0.362 1.00 0.00 C ATOM 403 CG ASP A 24 -2.201 4.097 1.669 1.00 0.00 C ATOM 404 OD1 ASP A 24 -1.749 3.464 2.610 1.00 0.00 O ATOM 405 OD2 ASP A 24 -2.450 5.291 1.708 1.00 0.00 O ATOM 0 H ASP A 24 -0.091 2.573 0.297 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.323 1.540 1.551 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.893 3.793 -0.450 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.521 3.434 0.090 1.00 0.00 H new ATOM 410 N GLY A 25 -2.525 1.132 -1.723 1.00 0.00 N ATOM 411 CA GLY A 25 -3.225 0.368 -2.793 1.00 0.00 C ATOM 412 C GLY A 25 -3.249 -1.122 -2.456 1.00 0.00 C ATOM 413 O GLY A 25 -4.298 -1.718 -2.309 1.00 0.00 O ATOM 0 H GLY A 25 -1.780 1.743 -2.057 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.244 0.738 -2.905 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.722 0.523 -3.748 1.00 0.00 H new ATOM 417 N ALA A 26 -2.101 -1.739 -2.359 1.00 0.00 N ATOM 418 CA ALA A 26 -2.072 -3.205 -2.060 1.00 0.00 C ATOM 419 C ALA A 26 -1.992 -3.454 -0.549 1.00 0.00 C ATOM 420 O ALA A 26 -1.693 -4.548 -0.111 1.00 0.00 O ATOM 421 CB ALA A 26 -0.853 -3.832 -2.739 1.00 0.00 C ATOM 0 H ALA A 26 -1.188 -1.298 -2.472 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.990 -3.656 -2.438 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.827 -4.900 -2.525 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.918 -3.680 -3.816 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.055 -3.363 -2.361 1.00 0.00 H new ATOM 427 N SER A 27 -2.242 -2.459 0.254 1.00 0.00 N ATOM 428 CA SER A 27 -2.166 -2.654 1.726 1.00 0.00 C ATOM 429 C SER A 27 -3.566 -2.804 2.304 1.00 0.00 C ATOM 430 O SER A 27 -3.867 -3.754 2.999 1.00 0.00 O ATOM 431 CB SER A 27 -1.494 -1.453 2.365 1.00 0.00 C ATOM 432 OG SER A 27 -0.082 -1.583 2.256 1.00 0.00 O ATOM 0 H SER A 27 -2.496 -1.518 -0.047 1.00 0.00 H new ATOM 0 HA SER A 27 -1.589 -3.555 1.933 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.824 -0.536 1.876 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.783 -1.377 3.413 1.00 0.00 H new ATOM 0 HG SER A 27 0.175 -1.573 1.310 1.00 0.00 H new ATOM 438 N VAL A 28 -4.420 -1.860 2.033 1.00 0.00 N ATOM 439 CA VAL A 28 -5.802 -1.936 2.582 1.00 0.00 C ATOM 440 C VAL A 28 -6.632 -2.927 1.754 1.00 0.00 C ATOM 441 O VAL A 28 -6.162 -3.471 0.775 1.00 0.00 O ATOM 442 CB VAL A 28 -6.420 -0.528 2.555 1.00 0.00 C ATOM 443 CG1 VAL A 28 -7.145 -0.282 1.228 1.00 0.00 C ATOM 444 CG2 VAL A 28 -7.405 -0.376 3.719 1.00 0.00 C ATOM 0 H VAL A 28 -4.223 -1.041 1.457 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.786 -2.293 3.612 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.620 0.206 2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.575 0.719 1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.437 -0.372 0.404 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.939 -1.018 1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.842 0.622 3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.196 -1.120 3.626 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.879 -0.522 4.662 1.00 0.00 H new ATOM 454 N ASN A 29 -7.858 -3.169 2.147 1.00 0.00 N ATOM 455 CA ASN A 29 -8.719 -4.125 1.390 1.00 0.00 C ATOM 456 C ASN A 29 -8.499 -3.941 -0.113 1.00 0.00 C ATOM 457 O ASN A 29 -8.078 -2.895 -0.566 1.00 0.00 O ATOM 458 CB ASN A 29 -10.192 -3.863 1.719 1.00 0.00 C ATOM 459 CG ASN A 29 -10.841 -5.155 2.222 1.00 0.00 C ATOM 460 OD1 ASN A 29 -10.491 -6.234 1.787 1.00 0.00 O ATOM 461 ND2 ASN A 29 -11.780 -5.090 3.127 1.00 0.00 N ATOM 0 H ASN A 29 -8.299 -2.744 2.962 1.00 0.00 H new ATOM 0 HA ASN A 29 -8.456 -5.144 1.675 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -10.273 -3.084 2.477 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -10.715 -3.502 0.833 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -12.219 -5.945 3.468 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -12.074 -4.184 3.493 1.00 0.00 H new ATOM 468 N ASN A 30 -8.775 -4.952 -0.889 1.00 0.00 N ATOM 469 CA ASN A 30 -8.579 -4.838 -2.360 1.00 0.00 C ATOM 470 C ASN A 30 -9.341 -3.619 -2.886 1.00 0.00 C ATOM 471 O ASN A 30 -9.076 -3.132 -3.967 1.00 0.00 O ATOM 472 CB ASN A 30 -9.101 -6.102 -3.045 1.00 0.00 C ATOM 473 CG ASN A 30 -10.597 -6.255 -2.766 1.00 0.00 C ATOM 474 OD1 ASN A 30 -11.350 -5.306 -2.879 1.00 0.00 O ATOM 475 ND2 ASN A 30 -11.066 -7.418 -2.405 1.00 0.00 N ATOM 0 H ASN A 30 -9.128 -5.853 -0.567 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.517 -4.721 -2.575 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.925 -6.045 -4.119 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.561 -6.976 -2.679 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.062 -7.530 -2.218 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.436 -8.215 -2.310 1.00 0.00 H new ATOM 482 N ASP A 31 -10.285 -3.123 -2.135 1.00 0.00 N ATOM 483 CA ASP A 31 -11.057 -1.939 -2.605 1.00 0.00 C ATOM 484 C ASP A 31 -11.252 -0.951 -1.451 1.00 0.00 C ATOM 485 O ASP A 31 -11.953 0.032 -1.580 1.00 0.00 O ATOM 486 CB ASP A 31 -12.422 -2.393 -3.124 1.00 0.00 C ATOM 487 CG ASP A 31 -12.462 -2.248 -4.646 1.00 0.00 C ATOM 488 OD1 ASP A 31 -11.402 -2.256 -5.250 1.00 0.00 O ATOM 489 OD2 ASP A 31 -13.553 -2.131 -5.182 1.00 0.00 O ATOM 0 H ASP A 31 -10.554 -3.485 -1.220 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.506 -1.448 -3.407 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.604 -3.430 -2.842 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.213 -1.796 -2.670 1.00 0.00 H new ATOM 494 N GLU A 32 -10.636 -1.196 -0.326 1.00 0.00 N ATOM 495 CA GLU A 32 -10.795 -0.256 0.820 1.00 0.00 C ATOM 496 C GLU A 32 -10.330 1.136 0.387 1.00 0.00 C ATOM 497 O GLU A 32 -11.009 2.122 0.591 1.00 0.00 O ATOM 498 CB GLU A 32 -9.947 -0.726 2.001 1.00 0.00 C ATOM 499 CG GLU A 32 -10.848 -0.966 3.215 1.00 0.00 C ATOM 500 CD GLU A 32 -11.659 0.296 3.507 1.00 0.00 C ATOM 501 OE1 GLU A 32 -11.211 1.366 3.128 1.00 0.00 O ATOM 502 OE2 GLU A 32 -12.716 0.172 4.105 1.00 0.00 O ATOM 0 H GLU A 32 -10.034 -2.001 -0.152 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.842 -0.225 1.122 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.419 -1.643 1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.190 0.021 2.239 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.517 -1.805 3.024 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.244 -1.231 4.083 1.00 0.00 H new ATOM 509 N THR A 33 -9.178 1.218 -0.225 1.00 0.00 N ATOM 510 CA THR A 33 -8.671 2.539 -0.689 1.00 0.00 C ATOM 511 C THR A 33 -8.514 2.499 -2.205 1.00 0.00 C ATOM 512 O THR A 33 -8.756 3.469 -2.874 1.00 0.00 O ATOM 513 CB THR A 33 -7.314 2.842 -0.053 1.00 0.00 C ATOM 514 OG1 THR A 33 -7.400 2.685 1.356 1.00 0.00 O ATOM 515 CG2 THR A 33 -6.908 4.279 -0.381 1.00 0.00 C ATOM 0 H THR A 33 -8.567 0.425 -0.423 1.00 0.00 H new ATOM 0 HA THR A 33 -9.378 3.317 -0.399 1.00 0.00 H new ATOM 0 HB THR A 33 -6.568 2.152 -0.448 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.529 2.878 1.760 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.941 4.496 0.072 1.00 0.00 H new ATOM 0 HG22 THR A 33 -6.838 4.400 -1.462 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.656 4.967 0.013 1.00 0.00 H new ATOM 523 N CYS A 34 -8.127 1.375 -2.748 1.00 0.00 N ATOM 524 CA CYS A 34 -7.974 1.262 -4.232 1.00 0.00 C ATOM 525 C CYS A 34 -9.092 2.061 -4.915 1.00 0.00 C ATOM 526 O CYS A 34 -8.927 2.609 -5.987 1.00 0.00 O ATOM 527 CB CYS A 34 -8.120 -0.209 -4.622 1.00 0.00 C ATOM 528 SG CYS A 34 -7.177 -0.536 -6.127 1.00 0.00 S ATOM 0 H CYS A 34 -7.909 0.526 -2.227 1.00 0.00 H new ATOM 0 HA CYS A 34 -7.001 1.646 -4.538 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -7.764 -0.847 -3.813 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -9.171 -0.451 -4.780 1.00 0.00 H new ATOM 533 N GLU A 35 -10.233 2.116 -4.287 1.00 0.00 N ATOM 534 CA GLU A 35 -11.394 2.850 -4.881 1.00 0.00 C ATOM 535 C GLU A 35 -11.420 4.306 -4.410 1.00 0.00 C ATOM 536 O GLU A 35 -11.110 5.208 -5.158 1.00 0.00 O ATOM 537 CB GLU A 35 -12.693 2.161 -4.460 1.00 0.00 C ATOM 538 CG GLU A 35 -13.654 2.110 -5.650 1.00 0.00 C ATOM 539 CD GLU A 35 -13.216 1.006 -6.613 1.00 0.00 C ATOM 540 OE1 GLU A 35 -12.127 1.116 -7.153 1.00 0.00 O ATOM 541 OE2 GLU A 35 -13.975 0.069 -6.794 1.00 0.00 O ATOM 0 H GLU A 35 -10.416 1.683 -3.382 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.294 2.839 -5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.483 1.152 -4.105 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -13.152 2.701 -3.632 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.670 1.922 -5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.665 3.072 -6.163 1.00 0.00 H new ATOM 548 N GLN A 36 -11.801 4.543 -3.180 1.00 0.00 N ATOM 549 CA GLN A 36 -11.861 5.947 -2.665 1.00 0.00 C ATOM 550 C GLN A 36 -10.679 6.751 -3.213 1.00 0.00 C ATOM 551 O GLN A 36 -10.752 7.952 -3.384 1.00 0.00 O ATOM 552 CB GLN A 36 -11.801 5.930 -1.136 1.00 0.00 C ATOM 553 CG GLN A 36 -13.159 5.503 -0.575 1.00 0.00 C ATOM 554 CD GLN A 36 -13.257 5.913 0.894 1.00 0.00 C ATOM 555 OE1 GLN A 36 -12.521 6.767 1.349 1.00 0.00 O ATOM 556 NE2 GLN A 36 -14.142 5.339 1.662 1.00 0.00 N ATOM 0 H GLN A 36 -12.074 3.825 -2.509 1.00 0.00 H new ATOM 0 HA GLN A 36 -12.792 6.411 -2.990 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.025 5.243 -0.800 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.536 6.919 -0.761 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.963 5.967 -1.147 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.281 4.424 -0.671 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.760 4.622 1.281 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.216 5.607 2.643 1.00 0.00 H new ATOM 565 N ARG A 37 -9.592 6.090 -3.490 1.00 0.00 N ATOM 566 CA ARG A 37 -8.397 6.791 -4.027 1.00 0.00 C ATOM 567 C ARG A 37 -8.340 6.650 -5.556 1.00 0.00 C ATOM 568 O ARG A 37 -8.032 7.594 -6.249 1.00 0.00 O ATOM 569 CB ARG A 37 -7.139 6.179 -3.410 1.00 0.00 C ATOM 570 CG ARG A 37 -6.610 7.096 -2.307 1.00 0.00 C ATOM 571 CD ARG A 37 -7.757 7.482 -1.372 1.00 0.00 C ATOM 572 NE ARG A 37 -7.300 7.376 0.042 1.00 0.00 N ATOM 573 CZ ARG A 37 -8.002 7.920 1.000 1.00 0.00 C ATOM 574 NH1 ARG A 37 -9.109 8.555 0.724 1.00 0.00 N ATOM 575 NH2 ARG A 37 -7.595 7.828 2.237 1.00 0.00 N ATOM 0 H ARG A 37 -9.480 5.084 -3.366 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.458 7.850 -3.774 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.365 5.194 -3.001 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.377 6.039 -4.177 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.823 6.592 -1.746 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.166 7.990 -2.744 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.087 8.499 -1.584 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.613 6.828 -1.539 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.438 6.878 0.262 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.428 8.627 -0.242 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.655 8.979 1.474 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.730 7.332 2.454 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.142 8.252 2.987 1.00 0.00 H new ATOM 589 N ALA A 38 -8.618 5.485 -6.096 1.00 0.00 N ATOM 590 CA ALA A 38 -8.553 5.334 -7.582 1.00 0.00 C ATOM 591 C ALA A 38 -9.951 5.462 -8.197 1.00 0.00 C ATOM 592 O ALA A 38 -10.216 4.941 -9.263 1.00 0.00 O ATOM 593 CB ALA A 38 -7.973 3.963 -7.935 1.00 0.00 C ATOM 0 H ALA A 38 -8.883 4.646 -5.580 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.915 6.122 -7.983 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.927 3.856 -9.019 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.970 3.874 -7.518 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.609 3.181 -7.520 1.00 0.00 H new ATOM 599 N ALA A 39 -10.849 6.143 -7.542 1.00 0.00 N ATOM 600 CA ALA A 39 -12.224 6.289 -8.102 1.00 0.00 C ATOM 601 C ALA A 39 -12.695 7.736 -7.949 1.00 0.00 C ATOM 602 O ALA A 39 -12.826 8.462 -8.915 1.00 0.00 O ATOM 603 CB ALA A 39 -13.181 5.360 -7.354 1.00 0.00 C ATOM 0 H ALA A 39 -10.693 6.604 -6.646 1.00 0.00 H new ATOM 0 HA ALA A 39 -12.211 6.025 -9.159 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -14.186 5.467 -7.763 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.850 4.328 -7.469 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.190 5.622 -6.296 1.00 0.00 H new ATOM 609 N ARG A 40 -12.962 8.160 -6.743 1.00 0.00 N ATOM 610 CA ARG A 40 -13.433 9.552 -6.524 1.00 0.00 C ATOM 611 C ARG A 40 -12.232 10.497 -6.424 1.00 0.00 C ATOM 612 O ARG A 40 -12.112 11.264 -5.490 1.00 0.00 O ATOM 613 CB ARG A 40 -14.234 9.601 -5.225 1.00 0.00 C ATOM 614 CG ARG A 40 -13.291 9.426 -4.032 1.00 0.00 C ATOM 615 CD ARG A 40 -14.064 8.837 -2.851 1.00 0.00 C ATOM 616 NE ARG A 40 -14.415 9.925 -1.894 1.00 0.00 N ATOM 617 CZ ARG A 40 -15.313 9.720 -0.967 1.00 0.00 C ATOM 618 NH1 ARG A 40 -15.904 8.560 -0.871 1.00 0.00 N ATOM 619 NH2 ARG A 40 -15.619 10.677 -0.134 1.00 0.00 N ATOM 0 H ARG A 40 -12.873 7.597 -5.897 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.060 9.865 -7.359 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -14.762 10.551 -5.147 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -14.990 8.815 -5.222 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.464 8.770 -4.302 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.858 10.387 -3.754 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.969 8.344 -3.205 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.462 8.078 -2.351 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.953 10.832 -1.963 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -15.665 7.811 -1.521 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -16.605 8.403 -0.146 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.157 11.584 -0.207 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -16.320 10.518 0.590 1.00 0.00 H new ATOM 633 N ILE A 41 -11.341 10.449 -7.377 1.00 0.00 N ATOM 634 CA ILE A 41 -10.153 11.347 -7.330 1.00 0.00 C ATOM 635 C ILE A 41 -10.551 12.754 -7.781 1.00 0.00 C ATOM 636 O ILE A 41 -11.294 12.926 -8.727 1.00 0.00 O ATOM 637 CB ILE A 41 -9.069 10.808 -8.263 1.00 0.00 C ATOM 638 CG1 ILE A 41 -8.796 9.340 -7.937 1.00 0.00 C ATOM 639 CG2 ILE A 41 -7.790 11.614 -8.067 1.00 0.00 C ATOM 640 CD1 ILE A 41 -9.032 8.485 -9.183 1.00 0.00 C ATOM 0 H ILE A 41 -11.385 9.828 -8.185 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.773 11.386 -6.309 1.00 0.00 H new ATOM 0 HB ILE A 41 -9.404 10.894 -9.297 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.770 9.219 -7.590 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.448 9.009 -7.128 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.014 11.233 -8.731 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.982 12.662 -8.297 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.458 11.525 -7.032 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -8.837 7.439 -8.949 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -10.066 8.597 -9.511 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -8.362 8.809 -9.979 1.00 0.00 H new ATOM 652 N SER A 42 -10.056 13.763 -7.117 1.00 0.00 N ATOM 653 CA SER A 42 -10.399 15.158 -7.514 1.00 0.00 C ATOM 654 C SER A 42 -9.376 15.653 -8.538 1.00 0.00 C ATOM 655 O SER A 42 -9.692 15.876 -9.689 1.00 0.00 O ATOM 656 CB SER A 42 -10.366 16.063 -6.281 1.00 0.00 C ATOM 657 OG SER A 42 -9.498 15.500 -5.307 1.00 0.00 O ATOM 0 H SER A 42 -9.429 13.681 -6.317 1.00 0.00 H new ATOM 0 HA SER A 42 -11.397 15.181 -7.951 1.00 0.00 H new ATOM 0 HB2 SER A 42 -10.023 17.060 -6.557 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.369 16.173 -5.870 1.00 0.00 H new ATOM 0 HG SER A 42 -9.474 16.079 -4.517 1.00 0.00 H new ATOM 663 N LEU A 43 -8.148 15.817 -8.128 1.00 0.00 N ATOM 664 CA LEU A 43 -7.099 16.286 -9.074 1.00 0.00 C ATOM 665 C LEU A 43 -5.938 15.290 -9.064 1.00 0.00 C ATOM 666 O LEU A 43 -4.793 15.648 -9.267 1.00 0.00 O ATOM 667 CB LEU A 43 -6.597 17.666 -8.643 1.00 0.00 C ATOM 668 CG LEU A 43 -6.572 17.745 -7.115 1.00 0.00 C ATOM 669 CD1 LEU A 43 -5.563 16.734 -6.568 1.00 0.00 C ATOM 670 CD2 LEU A 43 -6.161 19.155 -6.686 1.00 0.00 C ATOM 0 H LEU A 43 -7.826 15.646 -7.175 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.515 16.356 -10.079 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.599 17.843 -9.043 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.245 18.443 -9.048 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.563 17.518 -6.723 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.545 16.790 -5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.852 15.729 -6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.571 16.961 -6.959 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.143 19.213 -5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.169 19.380 -7.078 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.878 19.877 -7.076 1.00 0.00 H new ATOM 682 N GLY A 44 -6.228 14.040 -8.827 1.00 0.00 N ATOM 683 CA GLY A 44 -5.149 13.011 -8.797 1.00 0.00 C ATOM 684 C GLY A 44 -4.029 13.466 -7.863 1.00 0.00 C ATOM 685 O GLY A 44 -2.971 13.871 -8.303 1.00 0.00 O ATOM 0 H GLY A 44 -7.168 13.686 -8.652 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.553 12.057 -8.459 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.756 12.853 -9.801 1.00 0.00 H new ATOM 689 N PRO A 45 -4.267 13.386 -6.582 1.00 0.00 N ATOM 690 CA PRO A 45 -3.270 13.780 -5.544 1.00 0.00 C ATOM 691 C PRO A 45 -1.936 13.092 -5.835 1.00 0.00 C ATOM 692 O PRO A 45 -0.975 13.722 -6.231 1.00 0.00 O ATOM 693 CB PRO A 45 -3.863 13.251 -4.240 1.00 0.00 C ATOM 694 CG PRO A 45 -5.261 12.716 -4.526 1.00 0.00 C ATOM 695 CD PRO A 45 -5.558 12.893 -6.016 1.00 0.00 C ATOM 0 HA PRO A 45 -3.084 14.853 -5.512 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.232 12.462 -3.830 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.906 14.045 -3.494 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.327 11.664 -4.250 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.000 13.249 -3.927 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.864 11.954 -6.477 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.365 13.607 -6.181 1.00 0.00 H new ATOM 703 N ARG A 46 -1.870 11.802 -5.651 1.00 0.00 N ATOM 704 CA ARG A 46 -0.600 11.077 -5.928 1.00 0.00 C ATOM 705 C ARG A 46 -0.774 9.588 -5.625 1.00 0.00 C ATOM 706 O ARG A 46 -0.466 8.733 -6.448 1.00 0.00 O ATOM 707 CB ARG A 46 0.515 11.649 -5.050 1.00 0.00 C ATOM 708 CG ARG A 46 1.842 11.592 -5.810 1.00 0.00 C ATOM 709 CD ARG A 46 2.287 13.011 -6.171 1.00 0.00 C ATOM 710 NE ARG A 46 2.975 12.993 -7.494 1.00 0.00 N ATOM 711 CZ ARG A 46 3.186 14.108 -8.139 1.00 0.00 C ATOM 712 NH1 ARG A 46 2.799 15.246 -7.629 1.00 0.00 N ATOM 713 NH2 ARG A 46 3.788 14.087 -9.297 1.00 0.00 N ATOM 0 H ARG A 46 -2.640 11.220 -5.321 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.339 11.201 -6.979 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.285 12.678 -4.776 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.590 11.081 -4.123 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.602 11.106 -5.199 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.730 10.994 -6.714 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.424 13.676 -6.206 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.958 13.399 -5.405 1.00 0.00 H new ATOM 0 HE ARG A 46 3.281 12.107 -7.896 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.330 15.266 -6.723 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.966 16.115 -8.136 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.093 13.200 -9.697 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.953 14.958 -9.802 1.00 0.00 H new ATOM 727 N CYS A 47 -1.250 9.258 -4.448 1.00 0.00 N ATOM 728 CA CYS A 47 -1.415 7.819 -4.115 1.00 0.00 C ATOM 729 C CYS A 47 -2.393 7.181 -5.082 1.00 0.00 C ATOM 730 O CYS A 47 -2.314 6.012 -5.366 1.00 0.00 O ATOM 731 CB CYS A 47 -1.917 7.621 -2.666 1.00 0.00 C ATOM 732 SG CYS A 47 -0.929 8.623 -1.538 1.00 0.00 S ATOM 0 H CYS A 47 -1.526 9.915 -3.718 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.439 7.342 -4.201 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.967 7.903 -2.593 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.849 6.569 -2.388 1.00 0.00 H new ATOM 737 N ILE A 48 -3.324 7.915 -5.597 1.00 0.00 N ATOM 738 CA ILE A 48 -4.267 7.275 -6.528 1.00 0.00 C ATOM 739 C ILE A 48 -3.523 6.823 -7.790 1.00 0.00 C ATOM 740 O ILE A 48 -3.605 5.687 -8.167 1.00 0.00 O ATOM 741 CB ILE A 48 -5.421 8.237 -6.866 1.00 0.00 C ATOM 742 CG1 ILE A 48 -4.969 9.331 -7.847 1.00 0.00 C ATOM 743 CG2 ILE A 48 -5.920 8.899 -5.581 1.00 0.00 C ATOM 744 CD1 ILE A 48 -4.042 10.318 -7.134 1.00 0.00 C ATOM 0 H ILE A 48 -3.471 8.908 -5.418 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.701 6.394 -6.056 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.218 7.659 -7.335 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.453 8.881 -8.695 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.837 9.856 -8.245 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.737 9.581 -5.817 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.274 8.133 -4.891 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.105 9.456 -5.118 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.725 11.091 -7.835 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.573 10.779 -6.301 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.167 9.788 -6.758 1.00 0.00 H new ATOM 756 N LYS A 49 -2.785 7.676 -8.443 1.00 0.00 N ATOM 757 CA LYS A 49 -2.061 7.231 -9.670 1.00 0.00 C ATOM 758 C LYS A 49 -1.043 6.149 -9.303 1.00 0.00 C ATOM 759 O LYS A 49 -1.124 5.006 -9.753 1.00 0.00 O ATOM 760 CB LYS A 49 -1.333 8.426 -10.290 1.00 0.00 C ATOM 761 CG LYS A 49 -2.228 9.079 -11.344 1.00 0.00 C ATOM 762 CD LYS A 49 -1.474 9.170 -12.672 1.00 0.00 C ATOM 763 CE LYS A 49 -1.489 10.616 -13.173 1.00 0.00 C ATOM 764 NZ LYS A 49 -1.185 10.639 -14.630 1.00 0.00 N ATOM 0 H LYS A 49 -2.651 8.654 -8.185 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.776 6.826 -10.386 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.076 9.150 -9.517 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.397 8.100 -10.744 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.141 8.497 -11.472 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.528 10.074 -11.015 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.447 8.830 -12.542 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.936 8.514 -13.410 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.464 11.067 -12.987 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.754 11.209 -12.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.195 11.621 -14.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.246 10.225 -14.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.902 10.087 -15.143 1.00 0.00 H new ATOM 778 N ALA A 50 -0.089 6.495 -8.480 1.00 0.00 N ATOM 779 CA ALA A 50 0.936 5.497 -8.072 1.00 0.00 C ATOM 780 C ALA A 50 0.250 4.251 -7.585 1.00 0.00 C ATOM 781 O ALA A 50 0.443 3.154 -8.079 1.00 0.00 O ATOM 782 CB ALA A 50 1.738 6.033 -6.892 1.00 0.00 C ATOM 0 H ALA A 50 0.023 7.424 -8.075 1.00 0.00 H new ATOM 0 HA ALA A 50 1.580 5.296 -8.928 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.487 5.298 -6.597 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.233 6.960 -7.180 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.068 6.224 -6.054 1.00 0.00 H new ATOM 788 N PHE A 51 -0.501 4.414 -6.557 1.00 0.00 N ATOM 789 CA PHE A 51 -1.152 3.263 -5.943 1.00 0.00 C ATOM 790 C PHE A 51 -2.266 2.687 -6.835 1.00 0.00 C ATOM 791 O PHE A 51 -2.832 1.663 -6.529 1.00 0.00 O ATOM 792 CB PHE A 51 -1.647 3.683 -4.548 1.00 0.00 C ATOM 793 CG PHE A 51 -3.162 3.716 -4.393 1.00 0.00 C ATOM 794 CD1 PHE A 51 -3.999 4.106 -5.438 1.00 0.00 C ATOM 795 CD2 PHE A 51 -3.724 3.332 -3.173 1.00 0.00 C ATOM 796 CE1 PHE A 51 -5.382 4.098 -5.271 1.00 0.00 C ATOM 797 CE2 PHE A 51 -5.109 3.336 -3.003 1.00 0.00 C ATOM 798 CZ PHE A 51 -5.939 3.715 -4.056 1.00 0.00 C ATOM 0 H PHE A 51 -0.693 5.311 -6.111 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.440 2.445 -5.831 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.235 2.996 -3.809 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.250 4.672 -4.319 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.573 4.416 -6.381 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.083 3.031 -2.357 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.024 4.390 -6.089 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.538 3.045 -2.055 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.011 3.711 -3.929 1.00 0.00 H new ATOM 808 N THR A 52 -2.602 3.337 -7.927 1.00 0.00 N ATOM 809 CA THR A 52 -3.678 2.783 -8.807 1.00 0.00 C ATOM 810 C THR A 52 -3.036 1.708 -9.657 1.00 0.00 C ATOM 811 O THR A 52 -3.564 0.630 -9.819 1.00 0.00 O ATOM 812 CB THR A 52 -4.282 3.875 -9.714 1.00 0.00 C ATOM 813 OG1 THR A 52 -5.354 4.508 -9.030 1.00 0.00 O ATOM 814 CG2 THR A 52 -4.818 3.262 -11.014 1.00 0.00 C ATOM 0 H THR A 52 -2.184 4.213 -8.241 1.00 0.00 H new ATOM 0 HA THR A 52 -4.491 2.385 -8.200 1.00 0.00 H new ATOM 0 HB THR A 52 -3.503 4.598 -9.957 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.001 5.029 -8.279 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.240 4.048 -11.640 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.004 2.771 -11.547 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.591 2.531 -10.780 1.00 0.00 H new ATOM 822 N GLU A 53 -1.882 1.984 -10.188 1.00 0.00 N ATOM 823 CA GLU A 53 -1.202 0.945 -11.001 1.00 0.00 C ATOM 824 C GLU A 53 -0.623 -0.091 -10.041 1.00 0.00 C ATOM 825 O GLU A 53 -0.524 -1.259 -10.356 1.00 0.00 O ATOM 826 CB GLU A 53 -0.083 1.582 -11.825 1.00 0.00 C ATOM 827 CG GLU A 53 -0.292 1.256 -13.305 1.00 0.00 C ATOM 828 CD GLU A 53 0.241 2.404 -14.163 1.00 0.00 C ATOM 829 OE1 GLU A 53 -0.512 3.333 -14.407 1.00 0.00 O ATOM 830 OE2 GLU A 53 1.392 2.336 -14.561 1.00 0.00 O ATOM 0 H GLU A 53 -1.386 2.871 -10.097 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.905 0.473 -11.687 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.077 2.662 -11.677 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.886 1.209 -11.493 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.222 0.329 -13.560 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.352 1.099 -13.507 1.00 0.00 H new ATOM 837 N CYS A 54 -0.251 0.344 -8.866 1.00 0.00 N ATOM 838 CA CYS A 54 0.326 -0.585 -7.852 1.00 0.00 C ATOM 839 C CYS A 54 -0.788 -1.423 -7.208 1.00 0.00 C ATOM 840 O CYS A 54 -0.603 -2.587 -6.893 1.00 0.00 O ATOM 841 CB CYS A 54 1.048 0.263 -6.800 1.00 0.00 C ATOM 842 SG CYS A 54 1.278 -0.664 -5.260 1.00 0.00 S ATOM 0 H CYS A 54 -0.324 1.315 -8.563 1.00 0.00 H new ATOM 0 HA CYS A 54 1.028 -1.276 -8.319 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.017 0.579 -7.186 1.00 0.00 H new ATOM 0 HB3 CYS A 54 0.474 1.168 -6.601 1.00 0.00 H new ATOM 847 N CYS A 55 -1.944 -0.852 -7.030 1.00 0.00 N ATOM 848 CA CYS A 55 -3.064 -1.623 -6.423 1.00 0.00 C ATOM 849 C CYS A 55 -3.618 -2.568 -7.487 1.00 0.00 C ATOM 850 O CYS A 55 -3.747 -3.763 -7.277 1.00 0.00 O ATOM 851 CB CYS A 55 -4.174 -0.671 -5.937 1.00 0.00 C ATOM 852 SG CYS A 55 -5.623 -1.648 -5.480 1.00 0.00 S ATOM 0 H CYS A 55 -2.163 0.113 -7.278 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.703 -2.187 -5.563 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -3.826 -0.091 -5.083 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.431 0.040 -6.722 1.00 0.00 H new ATOM 857 N VAL A 56 -3.924 -2.044 -8.641 1.00 0.00 N ATOM 858 CA VAL A 56 -4.446 -2.904 -9.731 1.00 0.00 C ATOM 859 C VAL A 56 -3.461 -4.050 -9.954 1.00 0.00 C ATOM 860 O VAL A 56 -3.836 -5.202 -9.931 1.00 0.00 O ATOM 861 CB VAL A 56 -4.604 -2.088 -11.017 1.00 0.00 C ATOM 862 CG1 VAL A 56 -5.666 -1.007 -10.808 1.00 0.00 C ATOM 863 CG2 VAL A 56 -3.274 -1.426 -11.379 1.00 0.00 C ATOM 0 H VAL A 56 -3.834 -1.055 -8.874 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.423 -3.300 -9.456 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.909 -2.752 -11.826 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.779 -0.426 -11.723 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.617 -1.475 -10.556 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.360 -0.348 -9.995 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.393 -0.847 -12.295 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.964 -0.765 -10.569 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.515 -2.193 -11.531 1.00 0.00 H new ATOM 873 N VAL A 57 -2.199 -3.758 -10.155 1.00 0.00 N ATOM 874 CA VAL A 57 -1.226 -4.868 -10.356 1.00 0.00 C ATOM 875 C VAL A 57 -1.348 -5.849 -9.187 1.00 0.00 C ATOM 876 O VAL A 57 -1.609 -7.020 -9.386 1.00 0.00 O ATOM 877 CB VAL A 57 0.206 -4.324 -10.424 1.00 0.00 C ATOM 878 CG1 VAL A 57 0.437 -3.337 -9.286 1.00 0.00 C ATOM 879 CG2 VAL A 57 1.200 -5.482 -10.295 1.00 0.00 C ATOM 0 H VAL A 57 -1.809 -2.816 -10.188 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.447 -5.373 -11.296 1.00 0.00 H new ATOM 0 HB VAL A 57 0.351 -3.819 -11.379 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.456 -2.953 -9.338 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.267 -2.510 -9.373 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.288 -3.841 -8.331 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.218 -5.095 -10.343 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.049 -5.987 -9.341 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.042 -6.190 -11.109 1.00 0.00 H new ATOM 889 N ALA A 58 -1.171 -5.379 -7.968 1.00 0.00 N ATOM 890 CA ALA A 58 -1.283 -6.288 -6.787 1.00 0.00 C ATOM 891 C ALA A 58 -2.429 -7.271 -7.011 1.00 0.00 C ATOM 892 O ALA A 58 -2.303 -8.462 -6.779 1.00 0.00 O ATOM 893 CB ALA A 58 -1.561 -5.461 -5.530 1.00 0.00 C ATOM 0 H ALA A 58 -0.955 -4.407 -7.747 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.350 -6.837 -6.661 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.643 -6.124 -4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.744 -4.757 -5.370 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.494 -4.912 -5.655 1.00 0.00 H new ATOM 899 N SER A 59 -3.540 -6.775 -7.478 1.00 0.00 N ATOM 900 CA SER A 59 -4.706 -7.664 -7.741 1.00 0.00 C ATOM 901 C SER A 59 -4.340 -8.668 -8.827 1.00 0.00 C ATOM 902 O SER A 59 -4.337 -9.860 -8.617 1.00 0.00 O ATOM 903 CB SER A 59 -5.877 -6.831 -8.246 1.00 0.00 C ATOM 904 OG SER A 59 -5.663 -5.464 -7.918 1.00 0.00 O ATOM 0 H SER A 59 -3.692 -5.789 -7.690 1.00 0.00 H new ATOM 0 HA SER A 59 -4.976 -8.179 -6.819 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.980 -6.945 -9.325 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.807 -7.182 -7.798 1.00 0.00 H new ATOM 0 HG SER A 59 -6.416 -4.928 -8.244 1.00 0.00 H new ATOM 910 N GLN A 60 -4.058 -8.177 -9.998 1.00 0.00 N ATOM 911 CA GLN A 60 -3.713 -9.072 -11.135 1.00 0.00 C ATOM 912 C GLN A 60 -2.854 -10.245 -10.653 1.00 0.00 C ATOM 913 O GLN A 60 -3.175 -11.392 -10.896 1.00 0.00 O ATOM 914 CB GLN A 60 -2.947 -8.279 -12.196 1.00 0.00 C ATOM 915 CG GLN A 60 -3.146 -8.934 -13.564 1.00 0.00 C ATOM 916 CD GLN A 60 -3.788 -7.929 -14.524 1.00 0.00 C ATOM 917 OE1 GLN A 60 -4.971 -7.999 -14.792 1.00 0.00 O ATOM 918 NE2 GLN A 60 -3.054 -6.990 -15.055 1.00 0.00 N ATOM 0 H GLN A 60 -4.052 -7.181 -10.219 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.635 -9.465 -11.564 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.300 -7.248 -12.220 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.886 -8.248 -11.947 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.188 -9.271 -13.960 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.779 -9.816 -13.468 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.061 -6.931 -14.830 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.473 -6.315 -15.695 1.00 0.00 H new ATOM 927 N LEU A 61 -1.767 -9.984 -9.972 1.00 0.00 N ATOM 928 CA LEU A 61 -0.929 -11.133 -9.499 1.00 0.00 C ATOM 929 C LEU A 61 -1.541 -11.741 -8.248 1.00 0.00 C ATOM 930 O LEU A 61 -2.044 -12.840 -8.290 1.00 0.00 O ATOM 931 CB LEU A 61 0.537 -10.766 -9.178 1.00 0.00 C ATOM 932 CG LEU A 61 0.850 -9.277 -9.315 1.00 0.00 C ATOM 933 CD1 LEU A 61 0.489 -8.774 -10.716 1.00 0.00 C ATOM 934 CD2 LEU A 61 0.112 -8.476 -8.242 1.00 0.00 C ATOM 0 H LEU A 61 -1.428 -9.054 -9.727 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.914 -11.836 -10.332 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.765 -11.082 -8.160 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.195 -11.327 -9.841 1.00 0.00 H new ATOM 0 HG LEU A 61 1.921 -9.135 -9.172 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.720 -7.711 -10.792 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.065 -9.324 -11.460 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.575 -8.928 -10.895 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.346 -7.417 -8.353 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.962 -8.624 -8.352 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.426 -8.815 -7.255 1.00 0.00 H new ATOM 946 N ARG A 62 -1.467 -11.054 -7.132 1.00 0.00 N ATOM 947 CA ARG A 62 -2.013 -11.612 -5.846 1.00 0.00 C ATOM 948 C ARG A 62 -3.112 -12.645 -6.117 1.00 0.00 C ATOM 949 O ARG A 62 -3.109 -13.724 -5.559 1.00 0.00 O ATOM 950 CB ARG A 62 -2.581 -10.481 -4.988 1.00 0.00 C ATOM 951 CG ARG A 62 -1.434 -9.614 -4.465 1.00 0.00 C ATOM 952 CD ARG A 62 -0.719 -10.347 -3.330 1.00 0.00 C ATOM 953 NE ARG A 62 -1.081 -9.720 -2.021 1.00 0.00 N ATOM 954 CZ ARG A 62 -1.010 -8.425 -1.847 1.00 0.00 C ATOM 955 NH1 ARG A 62 -0.439 -7.660 -2.741 1.00 0.00 N ATOM 956 NH2 ARG A 62 -1.463 -7.897 -0.743 1.00 0.00 N ATOM 0 H ARG A 62 -1.051 -10.126 -7.053 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.197 -12.103 -5.317 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.271 -9.875 -5.576 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.150 -10.893 -4.154 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.733 -9.396 -5.270 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.819 -8.658 -4.110 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.000 -11.400 -3.330 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.360 -10.305 -3.479 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.389 -10.313 -1.250 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.042 -8.071 -3.586 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.390 -6.652 -2.593 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.869 -8.493 -0.022 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.411 -6.888 -0.601 1.00 0.00 H new ATOM 970 N ALA A 63 -4.034 -12.338 -6.984 1.00 0.00 N ATOM 971 CA ALA A 63 -5.105 -13.320 -7.301 1.00 0.00 C ATOM 972 C ALA A 63 -4.441 -14.639 -7.696 1.00 0.00 C ATOM 973 O ALA A 63 -4.580 -15.645 -7.029 1.00 0.00 O ATOM 974 CB ALA A 63 -5.948 -12.796 -8.468 1.00 0.00 C ATOM 0 H ALA A 63 -4.092 -11.452 -7.486 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.752 -13.469 -6.437 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.733 -13.515 -8.701 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.399 -11.843 -8.192 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.312 -12.657 -9.342 1.00 0.00 H new ATOM 980 N ASN A 64 -3.702 -14.630 -8.771 1.00 0.00 N ATOM 981 CA ASN A 64 -2.999 -15.866 -9.215 1.00 0.00 C ATOM 982 C ASN A 64 -1.556 -15.506 -9.576 1.00 0.00 C ATOM 983 O ASN A 64 -1.097 -15.763 -10.671 1.00 0.00 O ATOM 984 CB ASN A 64 -3.706 -16.444 -10.442 1.00 0.00 C ATOM 985 CG ASN A 64 -4.121 -17.890 -10.160 1.00 0.00 C ATOM 986 OD1 ASN A 64 -3.289 -18.774 -10.110 1.00 0.00 O ATOM 987 ND2 ASN A 64 -5.382 -18.169 -9.973 1.00 0.00 N ATOM 0 H ASN A 64 -3.554 -13.814 -9.365 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.008 -16.608 -8.416 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.583 -15.844 -10.686 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.044 -16.407 -11.307 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.669 -19.129 -9.785 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.080 -17.427 -10.015 1.00 0.00 H new ATOM 994 N ILE A 65 -0.842 -14.894 -8.666 1.00 0.00 N ATOM 995 CA ILE A 65 0.570 -14.497 -8.965 1.00 0.00 C ATOM 996 C ILE A 65 1.275 -15.639 -9.698 1.00 0.00 C ATOM 997 O ILE A 65 1.628 -16.643 -9.111 1.00 0.00 O ATOM 998 CB ILE A 65 1.341 -14.172 -7.672 1.00 0.00 C ATOM 999 CG1 ILE A 65 0.370 -13.841 -6.539 1.00 0.00 C ATOM 1000 CG2 ILE A 65 2.243 -12.961 -7.915 1.00 0.00 C ATOM 1001 CD1 ILE A 65 1.142 -13.265 -5.351 1.00 0.00 C ATOM 0 H ILE A 65 -1.173 -14.652 -7.732 1.00 0.00 H new ATOM 0 HA ILE A 65 0.550 -13.604 -9.589 1.00 0.00 H new ATOM 0 HB ILE A 65 1.936 -15.041 -7.392 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.375 -13.124 -6.883 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.168 -14.738 -6.235 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.791 -12.727 -7.002 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.949 -13.187 -8.714 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.633 -12.105 -8.202 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.447 -13.030 -4.545 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.870 -13.997 -5.001 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.660 -12.357 -5.660 1.00 0.00 H new ATOM 1013 N SER A 66 1.483 -15.493 -10.978 1.00 0.00 N ATOM 1014 CA SER A 66 2.165 -16.567 -11.752 1.00 0.00 C ATOM 1015 C SER A 66 2.583 -16.023 -13.120 1.00 0.00 C ATOM 1016 O SER A 66 3.663 -16.296 -13.605 1.00 0.00 O ATOM 1017 CB SER A 66 1.208 -17.744 -11.942 1.00 0.00 C ATOM 1018 OG SER A 66 -0.042 -17.261 -12.413 1.00 0.00 O ATOM 0 H SER A 66 1.209 -14.674 -11.522 1.00 0.00 H new ATOM 0 HA SER A 66 3.049 -16.901 -11.209 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.627 -18.457 -12.652 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.074 -18.275 -10.999 1.00 0.00 H new ATOM 0 HG SER A 66 -0.602 -17.006 -11.651 1.00 0.00 H new ATOM 1024 N HIS A 67 1.735 -15.253 -13.749 1.00 0.00 N ATOM 1025 CA HIS A 67 2.085 -14.694 -15.084 1.00 0.00 C ATOM 1026 C HIS A 67 2.804 -13.355 -14.904 1.00 0.00 C ATOM 1027 O HIS A 67 3.211 -12.999 -13.816 1.00 0.00 O ATOM 1028 CB HIS A 67 0.808 -14.480 -15.899 1.00 0.00 C ATOM 1029 CG HIS A 67 0.913 -15.229 -17.199 1.00 0.00 C ATOM 1030 ND1 HIS A 67 -0.108 -16.038 -17.671 1.00 0.00 N ATOM 1031 CD2 HIS A 67 1.911 -15.299 -18.139 1.00 0.00 C ATOM 1032 CE1 HIS A 67 0.295 -16.558 -18.844 1.00 0.00 C ATOM 1033 NE2 HIS A 67 1.519 -16.140 -19.177 1.00 0.00 N ATOM 0 H HIS A 67 0.816 -14.988 -13.395 1.00 0.00 H new ATOM 0 HA HIS A 67 2.739 -15.391 -15.609 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.058 -14.827 -15.336 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.659 -13.417 -16.090 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.857 -14.780 -18.082 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -0.299 -17.232 -19.444 1.00 0.00 H new ATOM 0 HE2 HIS A 67 2.052 -16.384 -20.012 1.00 0.00 H new ATOM 1041 N LYS A 68 2.965 -12.610 -15.964 1.00 0.00 N ATOM 1042 CA LYS A 68 3.658 -11.296 -15.854 1.00 0.00 C ATOM 1043 C LYS A 68 2.995 -10.460 -14.758 1.00 0.00 C ATOM 1044 O LYS A 68 2.083 -10.905 -14.089 1.00 0.00 O ATOM 1045 CB LYS A 68 3.563 -10.555 -17.189 1.00 0.00 C ATOM 1046 CG LYS A 68 4.964 -10.150 -17.652 1.00 0.00 C ATOM 1047 CD LYS A 68 5.080 -8.624 -17.657 1.00 0.00 C ATOM 1048 CE LYS A 68 4.517 -8.074 -18.968 1.00 0.00 C ATOM 1049 NZ LYS A 68 3.198 -7.429 -18.709 1.00 0.00 N ATOM 0 H LYS A 68 2.646 -12.855 -16.901 1.00 0.00 H new ATOM 0 HA LYS A 68 4.706 -11.458 -15.603 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.092 -11.192 -17.937 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.935 -9.671 -17.082 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.716 -10.580 -16.990 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.156 -10.543 -18.650 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.536 -8.205 -16.811 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.123 -8.328 -17.544 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.209 -7.351 -19.399 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.404 -8.879 -19.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.933 -6.841 -19.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.476 -8.163 -18.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.264 -6.833 -17.859 1.00 0.00 H new ATOM 1063 N ASP A 69 3.447 -9.251 -14.567 1.00 0.00 N ATOM 1064 CA ASP A 69 2.842 -8.388 -13.513 1.00 0.00 C ATOM 1065 C ASP A 69 2.923 -6.921 -13.946 1.00 0.00 C ATOM 1066 O ASP A 69 3.929 -6.469 -14.458 1.00 0.00 O ATOM 1067 CB ASP A 69 3.607 -8.574 -12.200 1.00 0.00 C ATOM 1068 CG ASP A 69 5.085 -8.250 -12.418 1.00 0.00 C ATOM 1069 OD1 ASP A 69 5.418 -7.076 -12.438 1.00 0.00 O ATOM 1070 OD2 ASP A 69 5.860 -9.181 -12.561 1.00 0.00 O ATOM 0 H ASP A 69 4.208 -8.824 -15.095 1.00 0.00 H new ATOM 0 HA ASP A 69 1.798 -8.668 -13.369 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.191 -7.924 -11.430 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.497 -9.599 -11.845 1.00 0.00 H new ATOM 1075 N MET A 70 1.871 -6.176 -13.744 1.00 0.00 N ATOM 1076 CA MET A 70 1.886 -4.740 -14.143 1.00 0.00 C ATOM 1077 C MET A 70 2.730 -3.942 -13.139 1.00 0.00 C ATOM 1078 O MET A 70 3.771 -4.392 -12.702 1.00 0.00 O ATOM 1079 CB MET A 70 0.449 -4.207 -14.165 1.00 0.00 C ATOM 1080 CG MET A 70 0.318 -3.140 -15.253 1.00 0.00 C ATOM 1081 SD MET A 70 -0.721 -3.769 -16.595 1.00 0.00 S ATOM 1082 CE MET A 70 0.055 -2.836 -17.938 1.00 0.00 C ATOM 0 H MET A 70 1.002 -6.500 -13.320 1.00 0.00 H new ATOM 0 HA MET A 70 2.322 -4.635 -15.137 1.00 0.00 H new ATOM 0 HB2 MET A 70 -0.250 -5.022 -14.354 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.191 -3.785 -13.194 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.118 -2.232 -14.836 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.303 -2.873 -15.636 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.439 -3.075 -18.880 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.038 -1.768 -17.740 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.110 -3.102 -18.004 1.00 0.00 H new ATOM 1092 N CYS A 71 2.295 -2.763 -12.771 1.00 0.00 N ATOM 1093 CA CYS A 71 3.076 -1.945 -11.798 1.00 0.00 C ATOM 1094 C CYS A 71 3.174 -2.685 -10.462 1.00 0.00 C ATOM 1095 O CYS A 71 3.051 -2.036 -9.437 1.00 0.00 O ATOM 1096 CB CYS A 71 2.366 -0.601 -11.599 1.00 0.00 C ATOM 1097 SG CYS A 71 2.693 0.457 -13.035 1.00 0.00 S ATOM 1098 OXT CYS A 71 3.367 -3.888 -10.484 1.00 0.00 O ATOM 0 H CYS A 71 1.432 -2.333 -13.103 1.00 0.00 H new ATOM 0 HA CYS A 71 4.083 -1.776 -12.181 1.00 0.00 H new ATOM 0 HB2 CYS A 71 1.293 -0.755 -11.482 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.720 -0.119 -10.688 1.00 0.00 H new TER 1103 CYS A 71 ATOM 1104 N CYS B 72 2.244 4.244 -11.558 1.00 0.00 N ATOM 1105 CA CYS B 72 2.601 3.532 -10.297 1.00 0.00 C ATOM 1106 C CYS B 72 3.665 4.310 -9.538 1.00 0.00 C ATOM 1107 O CYS B 72 3.484 4.694 -8.400 1.00 0.00 O ATOM 1108 CB CYS B 72 3.173 2.159 -10.583 1.00 0.00 C ATOM 1109 SG CYS B 72 3.736 2.021 -12.299 1.00 0.00 S ATOM 0 HA CYS B 72 1.686 3.442 -9.712 1.00 0.00 H new ATOM 0 HB2 CYS B 72 4.006 1.963 -9.908 1.00 0.00 H new ATOM 0 HB3 CYS B 72 2.417 1.400 -10.385 1.00 0.00 H new ATOM 1116 N LEU B 73 4.793 4.516 -10.150 1.00 0.00 N ATOM 1117 CA LEU B 73 5.879 5.240 -9.453 1.00 0.00 C ATOM 1118 C LEU B 73 5.553 6.736 -9.428 1.00 0.00 C ATOM 1119 O LEU B 73 4.855 7.242 -10.285 1.00 0.00 O ATOM 1120 CB LEU B 73 7.203 5.000 -10.188 1.00 0.00 C ATOM 1121 CG LEU B 73 8.260 6.008 -9.727 1.00 0.00 C ATOM 1122 CD1 LEU B 73 8.786 5.602 -8.349 1.00 0.00 C ATOM 1123 CD2 LEU B 73 9.419 6.017 -10.726 1.00 0.00 C ATOM 0 H LEU B 73 5.007 4.214 -11.100 1.00 0.00 H new ATOM 0 HA LEU B 73 5.970 4.877 -8.429 1.00 0.00 H new ATOM 0 HB2 LEU B 73 7.552 3.985 -9.999 1.00 0.00 H new ATOM 0 HB3 LEU B 73 7.051 5.090 -11.264 1.00 0.00 H new ATOM 0 HG LEU B 73 7.815 7.001 -9.670 1.00 0.00 H new ATOM 0 HD11 LEU B 73 9.538 6.319 -8.021 1.00 0.00 H new ATOM 0 HD12 LEU B 73 7.963 5.588 -7.635 1.00 0.00 H new ATOM 0 HD13 LEU B 73 9.233 4.609 -8.408 1.00 0.00 H new ATOM 0 HD21 LEU B 73 10.174 6.733 -10.401 1.00 0.00 H new ATOM 0 HD22 LEU B 73 9.862 5.022 -10.779 1.00 0.00 H new ATOM 0 HD23 LEU B 73 9.048 6.302 -11.711 1.00 0.00 H new ATOM 1135 N GLY B 74 6.051 7.452 -8.456 1.00 0.00 N ATOM 1136 CA GLY B 74 5.766 8.914 -8.388 1.00 0.00 C ATOM 1137 C GLY B 74 7.068 9.680 -8.146 1.00 0.00 C ATOM 1138 O GLY B 74 7.594 9.697 -7.051 1.00 0.00 O ATOM 0 H GLY B 74 6.641 7.089 -7.708 1.00 0.00 H new ATOM 0 HA2 GLY B 74 5.303 9.248 -9.316 1.00 0.00 H new ATOM 0 HA3 GLY B 74 5.057 9.120 -7.586 1.00 0.00 H new HETATM 1142 N DAR B 75 7.593 10.316 -9.159 1.00 0.00 N HETATM 1143 CA DAR B 75 8.861 11.079 -8.983 1.00 0.00 C HETATM 1144 CB DAR B 75 8.668 12.147 -7.904 1.00 0.00 C HETATM 1145 CG DAR B 75 10.034 12.587 -7.372 1.00 0.00 C HETATM 1146 CD DAR B 75 9.986 12.666 -5.847 1.00 0.00 C HETATM 1147 NE DAR B 75 10.136 14.091 -5.416 1.00 0.00 N HETATM 1148 CZ DAR B 75 11.093 14.847 -5.894 1.00 0.00 C HETATM 1149 NH1 DAR B 75 11.112 16.120 -5.605 1.00 0.00 N HETATM 1150 NH2 DAR B 75 12.059 14.331 -6.607 1.00 0.00 N HETATM 1151 C DAR B 75 9.240 11.751 -10.303 1.00 0.00 C HETATM 1152 O DAR B 75 8.659 11.396 -11.316 1.00 0.00 O HETATM 1153 OXT DAR B 75 10.106 12.611 -10.280 1.00 0.00 O HETATM 0 HH22 DAR B 75 12.798 14.930 -6.974 1.00 0.00 H new HETATM 0 HH21 DAR B 75 12.073 13.329 -6.797 1.00 0.00 H new HETATM 0 HH12 DAR B 75 11.854 16.716 -5.973 1.00 0.00 H new HETATM 0 HH11 DAR B 75 10.385 16.519 -5.011 1.00 0.00 H new HETATM 0 HG3 DAR B 75 10.803 11.881 -7.686 1.00 0.00 H new HETATM 0 HG2 DAR B 75 10.303 13.558 -7.789 1.00 0.00 H new HETATM 0 HE DAR B 75 9.481 14.481 -4.738 1.00 0.00 H new HETATM 0 HD3 DAR B 75 9.042 12.262 -5.481 1.00 0.00 H new HETATM 0 HD2 DAR B 75 10.782 12.059 -5.416 1.00 0.00 H new HETATM 0 HB3 DAR B 75 8.133 13.003 -8.316 1.00 0.00 H new HETATM 0 HB2 DAR B 75 8.059 11.752 -7.091 1.00 0.00 H new HETATM 0 HA DAR B 75 9.656 10.397 -8.682 1.00 0.00 H new TER 1167 DAR B 75