USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 693 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: C 60 MET CE :methyl 177:sc= -0.0662 (180deg=-0.014) USER MOD Set 1.2: C 80 MET CE :methyl -154:sc= -3.15 (180deg=-4.62!) USER MOD Set 2.1: C 69 SER OG : rot -132:sc= 0.897 USER MOD Set 2.2: C 71 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: C 37 SER OG : rot -58:sc= -0.203! USER MOD Set 3.2: C 38 THR OG1 : rot 180:sc= -0.0349 USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= -0.346 K(o=-0.35,f=-3!) USER MOD Single : C 13 THR OG1 : rot 180:sc= 0 USER MOD Single : C 16 GLN : amide:sc=-0.00293 X(o=-0.0029,f=-0.3) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= -1.9! K(o=-1.9!,f=-1.2) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot -68:sc= 1.02 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 MET CE :methyl -135:sc= -10! (180deg=-11.7!) USER MOD Single : C 47 MET CE :methyl -109:sc= -9.15! (180deg=-17.8!) USER MOD Single : C 50 GLN : amide:sc= -0.352 K(o=-0.35,f=-2.3!) USER MOD Single : C 51 ASN : amide:sc= -1.95 K(o=-1.9,f=-5.5!) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0.196 USER MOD Single : C 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 84 CYS SG : rot -39:sc= -2.41! USER MOD Single : C 85 MET CE :methyl -151:sc= -0.0993 (180deg=-1.56!) USER MOD Single : I 3 SER OG : rot 38:sc= 0.794 USER MOD Single : I 7 MET CE :methyl 179:sc= -5.19! (180deg=-5.31!) USER MOD Single : I 8 MET CE :methyl 141:sc= -8.8! (180deg=-13.9!) USER MOD Single : I 9 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.093) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE C 4 55.717 -9.873 14.279 1.00 0.00 N ATOM 45 CA ILE C 4 54.406 -9.273 13.899 1.00 0.00 C ATOM 46 C ILE C 4 54.500 -8.635 12.511 1.00 0.00 C ATOM 47 O ILE C 4 53.666 -7.840 12.124 1.00 0.00 O ATOM 48 CB ILE C 4 54.134 -8.208 14.963 1.00 0.00 C ATOM 49 CG1 ILE C 4 52.805 -7.512 14.660 1.00 0.00 C ATOM 50 CG2 ILE C 4 55.263 -7.176 14.953 1.00 0.00 C ATOM 51 CD1 ILE C 4 52.112 -7.145 15.973 1.00 0.00 C ATOM 0 HA ILE C 4 53.609 -10.015 13.854 1.00 0.00 H new ATOM 0 HB ILE C 4 54.082 -8.680 15.944 1.00 0.00 H new ATOM 0 HG12 ILE C 4 52.979 -6.615 14.065 1.00 0.00 H new ATOM 0 HG13 ILE C 4 52.165 -8.167 14.069 1.00 0.00 H new ATOM 0 HG21 ILE C 4 55.069 -6.417 15.711 1.00 0.00 H new ATOM 0 HG22 ILE C 4 56.210 -7.671 15.169 1.00 0.00 H new ATOM 0 HG23 ILE C 4 55.316 -6.704 13.972 1.00 0.00 H new ATOM 0 HD11 ILE C 4 51.165 -6.649 15.759 1.00 0.00 H new ATOM 0 HD12 ILE C 4 51.925 -8.050 16.551 1.00 0.00 H new ATOM 0 HD13 ILE C 4 52.751 -6.474 16.547 1.00 0.00 H new ATOM 63 N TYR C 5 55.509 -8.977 11.758 1.00 0.00 N ATOM 64 CA TYR C 5 55.655 -8.392 10.395 1.00 0.00 C ATOM 65 C TYR C 5 56.036 -9.483 9.392 1.00 0.00 C ATOM 66 O TYR C 5 55.317 -9.748 8.449 1.00 0.00 O ATOM 67 CB TYR C 5 56.776 -7.362 10.525 1.00 0.00 C ATOM 68 CG TYR C 5 56.296 -6.204 11.366 1.00 0.00 C ATOM 69 CD1 TYR C 5 55.239 -5.404 10.917 1.00 0.00 C ATOM 70 CD2 TYR C 5 56.907 -5.931 12.596 1.00 0.00 C ATOM 71 CE1 TYR C 5 54.791 -4.332 11.698 1.00 0.00 C ATOM 72 CE2 TYR C 5 56.459 -4.859 13.378 1.00 0.00 C ATOM 73 CZ TYR C 5 55.402 -4.059 12.928 1.00 0.00 C ATOM 74 OH TYR C 5 54.961 -3.002 13.698 1.00 0.00 O ATOM 0 H TYR C 5 56.239 -9.636 12.028 1.00 0.00 H new ATOM 0 HA TYR C 5 54.730 -7.941 10.035 1.00 0.00 H new ATOM 0 HB2 TYR C 5 57.654 -7.819 10.982 1.00 0.00 H new ATOM 0 HB3 TYR C 5 57.077 -7.009 9.539 1.00 0.00 H new ATOM 0 HD1 TYR C 5 54.769 -5.614 9.968 1.00 0.00 H new ATOM 0 HD2 TYR C 5 57.724 -6.547 12.942 1.00 0.00 H new ATOM 0 HE1 TYR C 5 53.974 -3.716 11.352 1.00 0.00 H new ATOM 0 HE2 TYR C 5 56.929 -4.650 14.328 1.00 0.00 H new ATOM 0 HH TYR C 5 55.492 -2.953 14.520 1.00 0.00 H new ATOM 84 N LYS C 6 57.158 -10.121 9.586 1.00 0.00 N ATOM 85 CA LYS C 6 57.571 -11.194 8.638 1.00 0.00 C ATOM 86 C LYS C 6 56.415 -12.177 8.430 1.00 0.00 C ATOM 87 O LYS C 6 56.284 -12.786 7.387 1.00 0.00 O ATOM 88 CB LYS C 6 58.763 -11.886 9.305 1.00 0.00 C ATOM 89 CG LYS C 6 58.270 -12.809 10.421 1.00 0.00 C ATOM 90 CD LYS C 6 59.454 -13.587 10.999 1.00 0.00 C ATOM 91 CE LYS C 6 59.946 -14.609 9.971 1.00 0.00 C ATOM 92 NZ LYS C 6 59.813 -15.927 10.649 1.00 0.00 N ATOM 0 H LYS C 6 57.804 -9.947 10.356 1.00 0.00 H new ATOM 0 HA LYS C 6 57.837 -10.802 7.656 1.00 0.00 H new ATOM 0 HB2 LYS C 6 59.322 -12.460 8.566 1.00 0.00 H new ATOM 0 HB3 LYS C 6 59.446 -11.141 9.712 1.00 0.00 H new ATOM 0 HG2 LYS C 6 57.788 -12.225 11.205 1.00 0.00 H new ATOM 0 HG3 LYS C 6 57.522 -13.500 10.032 1.00 0.00 H new ATOM 0 HD2 LYS C 6 60.260 -12.902 11.260 1.00 0.00 H new ATOM 0 HD3 LYS C 6 59.156 -14.094 11.917 1.00 0.00 H new ATOM 0 HE2 LYS C 6 59.349 -14.571 9.060 1.00 0.00 H new ATOM 0 HE3 LYS C 6 60.979 -14.415 9.684 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 60.131 -16.681 10.007 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 60.397 -15.935 11.510 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 58.818 -16.087 10.905 1.00 0.00 H new ATOM 106 N ALA C 7 55.572 -12.327 9.415 1.00 0.00 N ATOM 107 CA ALA C 7 54.420 -13.263 9.274 1.00 0.00 C ATOM 108 C ALA C 7 53.411 -12.698 8.272 1.00 0.00 C ATOM 109 O ALA C 7 52.731 -13.429 7.579 1.00 0.00 O ATOM 110 CB ALA C 7 53.802 -13.343 10.671 1.00 0.00 C ATOM 0 H ALA C 7 55.631 -11.842 10.311 1.00 0.00 H new ATOM 0 HA ALA C 7 54.722 -14.244 8.907 1.00 0.00 H new ATOM 0 HB1 ALA C 7 52.944 -14.015 10.651 1.00 0.00 H new ATOM 0 HB2 ALA C 7 54.543 -13.720 11.376 1.00 0.00 H new ATOM 0 HB3 ALA C 7 53.478 -12.350 10.983 1.00 0.00 H new ATOM 116 N ALA C 8 53.312 -11.399 8.190 1.00 0.00 N ATOM 117 CA ALA C 8 52.351 -10.781 7.232 1.00 0.00 C ATOM 118 C ALA C 8 52.866 -10.933 5.800 1.00 0.00 C ATOM 119 O ALA C 8 52.101 -11.040 4.862 1.00 0.00 O ATOM 120 CB ALA C 8 52.296 -9.305 7.626 1.00 0.00 C ATOM 0 H ALA C 8 53.856 -10.738 8.745 1.00 0.00 H new ATOM 0 HA ALA C 8 51.368 -11.251 7.270 1.00 0.00 H new ATOM 0 HB1 ALA C 8 51.607 -8.778 6.966 1.00 0.00 H new ATOM 0 HB2 ALA C 8 51.951 -9.216 8.656 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.290 -8.867 7.537 1.00 0.00 H new ATOM 126 N VAL C 9 54.159 -10.944 5.623 1.00 0.00 N ATOM 127 CA VAL C 9 54.723 -11.090 4.251 1.00 0.00 C ATOM 128 C VAL C 9 54.532 -12.526 3.755 1.00 0.00 C ATOM 129 O VAL C 9 54.077 -12.756 2.651 1.00 0.00 O ATOM 130 CB VAL C 9 56.208 -10.761 4.400 1.00 0.00 C ATOM 131 CG1 VAL C 9 56.844 -10.630 3.016 1.00 0.00 C ATOM 132 CG2 VAL C 9 56.362 -9.440 5.157 1.00 0.00 C ATOM 0 H VAL C 9 54.849 -10.858 6.369 1.00 0.00 H new ATOM 0 HA VAL C 9 54.234 -10.438 3.527 1.00 0.00 H new ATOM 0 HB VAL C 9 56.703 -11.559 4.953 1.00 0.00 H new ATOM 0 HG11 VAL C 9 57.903 -10.395 3.123 1.00 0.00 H new ATOM 0 HG12 VAL C 9 56.733 -11.569 2.474 1.00 0.00 H new ATOM 0 HG13 VAL C 9 56.350 -9.832 2.462 1.00 0.00 H new ATOM 0 HG21 VAL C 9 57.421 -9.203 5.264 1.00 0.00 H new ATOM 0 HG22 VAL C 9 55.867 -8.643 4.603 1.00 0.00 H new ATOM 0 HG23 VAL C 9 55.909 -9.531 6.144 1.00 0.00 H new ATOM 142 N GLU C 10 54.870 -13.494 4.564 1.00 0.00 N ATOM 143 CA GLU C 10 54.703 -14.914 4.140 1.00 0.00 C ATOM 144 C GLU C 10 53.309 -15.120 3.539 1.00 0.00 C ATOM 145 O GLU C 10 53.107 -15.961 2.686 1.00 0.00 O ATOM 146 CB GLU C 10 54.858 -15.729 5.424 1.00 0.00 C ATOM 147 CG GLU C 10 55.991 -16.743 5.257 1.00 0.00 C ATOM 148 CD GLU C 10 56.112 -17.587 6.528 1.00 0.00 C ATOM 149 OE1 GLU C 10 55.688 -17.115 7.570 1.00 0.00 O ATOM 150 OE2 GLU C 10 56.626 -18.689 6.438 1.00 0.00 O ATOM 0 H GLU C 10 55.254 -13.363 5.500 1.00 0.00 H new ATOM 0 HA GLU C 10 55.426 -15.209 3.380 1.00 0.00 H new ATOM 0 HB2 GLU C 10 55.070 -15.067 6.263 1.00 0.00 H new ATOM 0 HB3 GLU C 10 53.926 -16.245 5.653 1.00 0.00 H new ATOM 0 HG2 GLU C 10 55.795 -17.385 4.398 1.00 0.00 H new ATOM 0 HG3 GLU C 10 56.930 -16.226 5.060 1.00 0.00 H new ATOM 157 N GLN C 11 52.347 -14.356 3.981 1.00 0.00 N ATOM 158 CA GLN C 11 50.965 -14.504 3.441 1.00 0.00 C ATOM 159 C GLN C 11 50.769 -13.593 2.229 1.00 0.00 C ATOM 160 O GLN C 11 49.659 -13.333 1.808 1.00 0.00 O ATOM 161 CB GLN C 11 50.048 -14.066 4.581 1.00 0.00 C ATOM 162 CG GLN C 11 50.450 -14.786 5.870 1.00 0.00 C ATOM 163 CD GLN C 11 49.195 -15.112 6.683 1.00 0.00 C ATOM 164 OE1 GLN C 11 48.106 -15.160 6.148 1.00 0.00 O ATOM 165 NE2 GLN C 11 49.302 -15.340 7.964 1.00 0.00 N ATOM 0 H GLN C 11 52.459 -13.635 4.694 1.00 0.00 H new ATOM 0 HA GLN C 11 50.759 -15.523 3.113 1.00 0.00 H new ATOM 0 HB2 GLN C 11 50.114 -12.987 4.720 1.00 0.00 H new ATOM 0 HB3 GLN C 11 49.011 -14.293 4.334 1.00 0.00 H new ATOM 0 HG2 GLN C 11 50.992 -15.702 5.634 1.00 0.00 H new ATOM 0 HG3 GLN C 11 51.123 -14.159 6.455 1.00 0.00 H new ATOM 0 HE21 GLN C 11 50.216 -15.300 8.415 1.00 0.00 H new ATOM 0 HE22 GLN C 11 48.471 -15.558 8.514 1.00 0.00 H new ATOM 174 N LEU C 12 51.837 -13.098 1.668 1.00 0.00 N ATOM 175 CA LEU C 12 51.709 -12.197 0.490 1.00 0.00 C ATOM 176 C LEU C 12 50.693 -12.762 -0.508 1.00 0.00 C ATOM 177 O LEU C 12 50.246 -13.885 -0.385 1.00 0.00 O ATOM 178 CB LEU C 12 53.104 -12.154 -0.133 1.00 0.00 C ATOM 179 CG LEU C 12 53.848 -10.913 0.362 1.00 0.00 C ATOM 180 CD1 LEU C 12 55.296 -10.957 -0.127 1.00 0.00 C ATOM 181 CD2 LEU C 12 53.164 -9.659 -0.187 1.00 0.00 C ATOM 0 H LEU C 12 52.793 -13.279 1.975 1.00 0.00 H new ATOM 0 HA LEU C 12 51.357 -11.204 0.771 1.00 0.00 H new ATOM 0 HB2 LEU C 12 53.660 -13.054 0.132 1.00 0.00 H new ATOM 0 HB3 LEU C 12 53.028 -12.135 -1.220 1.00 0.00 H new ATOM 0 HG LEU C 12 53.833 -10.890 1.452 1.00 0.00 H new ATOM 0 HD11 LEU C 12 55.826 -10.072 0.226 1.00 0.00 H new ATOM 0 HD12 LEU C 12 55.784 -11.851 0.261 1.00 0.00 H new ATOM 0 HD13 LEU C 12 55.312 -10.979 -1.217 1.00 0.00 H new ATOM 0 HD21 LEU C 12 53.692 -8.773 0.164 1.00 0.00 H new ATOM 0 HD22 LEU C 12 53.180 -9.683 -1.277 1.00 0.00 H new ATOM 0 HD23 LEU C 12 52.131 -9.627 0.160 1.00 0.00 H new ATOM 193 N THR C 13 50.329 -11.990 -1.495 1.00 0.00 N ATOM 194 CA THR C 13 49.343 -12.479 -2.503 1.00 0.00 C ATOM 195 C THR C 13 49.812 -12.119 -3.915 1.00 0.00 C ATOM 196 O THR C 13 50.432 -11.096 -4.132 1.00 0.00 O ATOM 197 CB THR C 13 48.037 -11.754 -2.170 1.00 0.00 C ATOM 198 OG1 THR C 13 48.312 -10.654 -1.312 1.00 0.00 O ATOM 199 CG2 THR C 13 47.079 -12.720 -1.473 1.00 0.00 C ATOM 0 H THR C 13 50.671 -11.041 -1.648 1.00 0.00 H new ATOM 0 HA THR C 13 49.224 -13.562 -2.472 1.00 0.00 H new ATOM 0 HB THR C 13 47.578 -11.391 -3.090 1.00 0.00 H new ATOM 0 HG1 THR C 13 47.476 -10.188 -1.100 1.00 0.00 H new ATOM 0 HG21 THR C 13 46.149 -12.203 -1.236 1.00 0.00 H new ATOM 0 HG22 THR C 13 46.868 -13.562 -2.132 1.00 0.00 H new ATOM 0 HG23 THR C 13 47.536 -13.085 -0.553 1.00 0.00 H new ATOM 207 N GLU C 14 49.521 -12.950 -4.878 1.00 0.00 N ATOM 208 CA GLU C 14 49.952 -12.651 -6.274 1.00 0.00 C ATOM 209 C GLU C 14 49.564 -11.218 -6.649 1.00 0.00 C ATOM 210 O GLU C 14 50.237 -10.562 -7.418 1.00 0.00 O ATOM 211 CB GLU C 14 49.200 -13.657 -7.147 1.00 0.00 C ATOM 212 CG GLU C 14 47.698 -13.544 -6.878 1.00 0.00 C ATOM 213 CD GLU C 14 46.989 -14.792 -7.406 1.00 0.00 C ATOM 214 OE1 GLU C 14 46.802 -14.881 -8.607 1.00 0.00 O ATOM 215 OE2 GLU C 14 46.642 -15.638 -6.597 1.00 0.00 O ATOM 0 H GLU C 14 49.004 -13.822 -4.760 1.00 0.00 H new ATOM 0 HA GLU C 14 51.032 -12.732 -6.400 1.00 0.00 H new ATOM 0 HB2 GLU C 14 49.407 -13.467 -8.200 1.00 0.00 H new ATOM 0 HB3 GLU C 14 49.544 -14.669 -6.932 1.00 0.00 H new ATOM 0 HG2 GLU C 14 47.517 -13.435 -5.809 1.00 0.00 H new ATOM 0 HG3 GLU C 14 47.297 -12.653 -7.362 1.00 0.00 H new ATOM 222 N GLU C 15 48.484 -10.727 -6.105 1.00 0.00 N ATOM 223 CA GLU C 15 48.052 -9.336 -6.426 1.00 0.00 C ATOM 224 C GLU C 15 48.909 -8.328 -5.657 1.00 0.00 C ATOM 225 O GLU C 15 49.237 -7.270 -6.155 1.00 0.00 O ATOM 226 CB GLU C 15 46.594 -9.262 -5.970 1.00 0.00 C ATOM 227 CG GLU C 15 45.868 -8.172 -6.760 1.00 0.00 C ATOM 228 CD GLU C 15 44.870 -8.819 -7.720 1.00 0.00 C ATOM 229 OE1 GLU C 15 44.178 -9.731 -7.298 1.00 0.00 O ATOM 230 OE2 GLU C 15 44.812 -8.390 -8.861 1.00 0.00 O ATOM 0 H GLU C 15 47.882 -11.229 -5.452 1.00 0.00 H new ATOM 0 HA GLU C 15 48.160 -9.101 -7.485 1.00 0.00 H new ATOM 0 HB2 GLU C 15 46.105 -10.224 -6.123 1.00 0.00 H new ATOM 0 HB3 GLU C 15 46.546 -9.046 -4.903 1.00 0.00 H new ATOM 0 HG2 GLU C 15 45.349 -7.498 -6.078 1.00 0.00 H new ATOM 0 HG3 GLU C 15 46.587 -7.571 -7.316 1.00 0.00 H new ATOM 237 N GLN C 16 49.273 -8.649 -4.446 1.00 0.00 N ATOM 238 CA GLN C 16 50.110 -7.711 -3.644 1.00 0.00 C ATOM 239 C GLN C 16 51.533 -7.664 -4.207 1.00 0.00 C ATOM 240 O GLN C 16 52.121 -6.610 -4.348 1.00 0.00 O ATOM 241 CB GLN C 16 50.112 -8.294 -2.230 1.00 0.00 C ATOM 242 CG GLN C 16 51.125 -7.539 -1.365 1.00 0.00 C ATOM 243 CD GLN C 16 50.515 -6.216 -0.901 1.00 0.00 C ATOM 244 OE1 GLN C 16 50.925 -5.160 -1.337 1.00 0.00 O ATOM 245 NE2 GLN C 16 49.545 -6.229 -0.029 1.00 0.00 N ATOM 0 H GLN C 16 49.027 -9.521 -3.977 1.00 0.00 H new ATOM 0 HA GLN C 16 49.725 -6.691 -3.664 1.00 0.00 H new ATOM 0 HB2 GLN C 16 49.117 -8.217 -1.793 1.00 0.00 H new ATOM 0 HB3 GLN C 16 50.365 -9.354 -2.263 1.00 0.00 H new ATOM 0 HG2 GLN C 16 51.405 -8.144 -0.503 1.00 0.00 H new ATOM 0 HG3 GLN C 16 52.036 -7.352 -1.933 1.00 0.00 H new ATOM 0 HE21 GLN C 16 49.200 -7.116 0.337 1.00 0.00 H new ATOM 0 HE22 GLN C 16 49.131 -5.352 0.286 1.00 0.00 H new ATOM 254 N LYS C 17 52.090 -8.799 -4.529 1.00 0.00 N ATOM 255 CA LYS C 17 53.475 -8.819 -5.082 1.00 0.00 C ATOM 256 C LYS C 17 53.618 -7.763 -6.181 1.00 0.00 C ATOM 257 O LYS C 17 54.594 -7.041 -6.239 1.00 0.00 O ATOM 258 CB LYS C 17 53.646 -10.223 -5.663 1.00 0.00 C ATOM 259 CG LYS C 17 54.989 -10.802 -5.216 1.00 0.00 C ATOM 260 CD LYS C 17 54.780 -12.227 -4.699 1.00 0.00 C ATOM 261 CE LYS C 17 55.826 -12.542 -3.628 1.00 0.00 C ATOM 262 NZ LYS C 17 56.852 -13.366 -4.326 1.00 0.00 N ATOM 0 H LYS C 17 51.647 -9.713 -4.433 1.00 0.00 H new ATOM 0 HA LYS C 17 54.227 -8.595 -4.326 1.00 0.00 H new ATOM 0 HB2 LYS C 17 52.832 -10.867 -5.330 1.00 0.00 H new ATOM 0 HB3 LYS C 17 53.599 -10.186 -6.751 1.00 0.00 H new ATOM 0 HG2 LYS C 17 55.692 -10.805 -6.049 1.00 0.00 H new ATOM 0 HG3 LYS C 17 55.424 -10.180 -4.434 1.00 0.00 H new ATOM 0 HD2 LYS C 17 53.777 -12.331 -4.284 1.00 0.00 H new ATOM 0 HD3 LYS C 17 54.860 -12.938 -5.521 1.00 0.00 H new ATOM 0 HE2 LYS C 17 56.262 -11.630 -3.221 1.00 0.00 H new ATOM 0 HE3 LYS C 17 55.385 -13.085 -2.792 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 57.605 -13.623 -3.656 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 56.409 -14.231 -4.697 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 57.259 -12.821 -5.112 1.00 0.00 H new ATOM 276 N ASN C 18 52.653 -7.669 -7.054 1.00 0.00 N ATOM 277 CA ASN C 18 52.733 -6.661 -8.150 1.00 0.00 C ATOM 278 C ASN C 18 52.536 -5.248 -7.593 1.00 0.00 C ATOM 279 O ASN C 18 52.712 -4.267 -8.289 1.00 0.00 O ATOM 280 CB ASN C 18 51.595 -7.025 -9.105 1.00 0.00 C ATOM 281 CG ASN C 18 51.655 -8.520 -9.427 1.00 0.00 C ATOM 282 OD1 ASN C 18 52.723 -9.074 -9.595 1.00 0.00 O ATOM 283 ND2 ASN C 18 50.546 -9.199 -9.523 1.00 0.00 N ATOM 0 H ASN C 18 51.812 -8.246 -7.056 1.00 0.00 H new ATOM 0 HA ASN C 18 53.703 -6.670 -8.647 1.00 0.00 H new ATOM 0 HB2 ASN C 18 50.634 -6.778 -8.653 1.00 0.00 H new ATOM 0 HB3 ASN C 18 51.675 -6.441 -10.022 1.00 0.00 H new ATOM 0 HD21 ASN C 18 50.575 -10.195 -9.739 1.00 0.00 H new ATOM 0 HD22 ASN C 18 49.649 -8.734 -9.382 1.00 0.00 H new ATOM 290 N GLU C 19 52.169 -5.134 -6.346 1.00 0.00 N ATOM 291 CA GLU C 19 51.955 -3.782 -5.751 1.00 0.00 C ATOM 292 C GLU C 19 53.254 -3.242 -5.141 1.00 0.00 C ATOM 293 O GLU C 19 53.653 -2.125 -5.407 1.00 0.00 O ATOM 294 CB GLU C 19 50.902 -3.993 -4.662 1.00 0.00 C ATOM 295 CG GLU C 19 49.618 -4.536 -5.293 1.00 0.00 C ATOM 296 CD GLU C 19 48.801 -3.377 -5.865 1.00 0.00 C ATOM 297 OE1 GLU C 19 49.306 -2.697 -6.744 1.00 0.00 O ATOM 298 OE2 GLU C 19 47.683 -3.186 -5.415 1.00 0.00 O ATOM 0 H GLU C 19 52.008 -5.917 -5.713 1.00 0.00 H new ATOM 0 HA GLU C 19 51.637 -3.055 -6.499 1.00 0.00 H new ATOM 0 HB2 GLU C 19 51.274 -4.690 -3.911 1.00 0.00 H new ATOM 0 HB3 GLU C 19 50.699 -3.052 -4.150 1.00 0.00 H new ATOM 0 HG2 GLU C 19 49.861 -5.248 -6.082 1.00 0.00 H new ATOM 0 HG3 GLU C 19 49.033 -5.074 -4.547 1.00 0.00 H new ATOM 305 N PHE C 20 53.908 -4.013 -4.316 1.00 0.00 N ATOM 306 CA PHE C 20 55.168 -3.525 -3.683 1.00 0.00 C ATOM 307 C PHE C 20 56.334 -3.569 -4.678 1.00 0.00 C ATOM 308 O PHE C 20 57.244 -2.765 -4.614 1.00 0.00 O ATOM 309 CB PHE C 20 55.408 -4.468 -2.494 1.00 0.00 C ATOM 310 CG PHE C 20 56.202 -5.683 -2.926 1.00 0.00 C ATOM 311 CD1 PHE C 20 55.645 -6.611 -3.815 1.00 0.00 C ATOM 312 CD2 PHE C 20 57.497 -5.879 -2.431 1.00 0.00 C ATOM 313 CE1 PHE C 20 56.385 -7.733 -4.209 1.00 0.00 C ATOM 314 CE2 PHE C 20 58.235 -6.999 -2.825 1.00 0.00 C ATOM 315 CZ PHE C 20 57.680 -7.927 -3.714 1.00 0.00 C ATOM 0 H PHE C 20 53.626 -4.957 -4.053 1.00 0.00 H new ATOM 0 HA PHE C 20 55.091 -2.486 -3.362 1.00 0.00 H new ATOM 0 HB2 PHE C 20 55.944 -3.939 -1.706 1.00 0.00 H new ATOM 0 HB3 PHE C 20 54.452 -4.782 -2.074 1.00 0.00 H new ATOM 0 HD1 PHE C 20 54.646 -6.462 -4.196 1.00 0.00 H new ATOM 0 HD2 PHE C 20 57.926 -5.164 -1.744 1.00 0.00 H new ATOM 0 HE1 PHE C 20 55.956 -8.449 -4.895 1.00 0.00 H new ATOM 0 HE2 PHE C 20 59.234 -7.148 -2.443 1.00 0.00 H new ATOM 0 HZ PHE C 20 58.251 -8.792 -4.018 1.00 0.00 H new ATOM 325 N LYS C 21 56.319 -4.498 -5.591 1.00 0.00 N ATOM 326 CA LYS C 21 57.432 -4.583 -6.579 1.00 0.00 C ATOM 327 C LYS C 21 57.510 -3.290 -7.399 1.00 0.00 C ATOM 328 O LYS C 21 58.518 -2.988 -8.007 1.00 0.00 O ATOM 329 CB LYS C 21 57.092 -5.789 -7.460 1.00 0.00 C ATOM 330 CG LYS C 21 56.126 -5.377 -8.572 1.00 0.00 C ATOM 331 CD LYS C 21 56.917 -5.101 -9.849 1.00 0.00 C ATOM 332 CE LYS C 21 56.789 -6.298 -10.794 1.00 0.00 C ATOM 333 NZ LYS C 21 57.486 -5.882 -12.044 1.00 0.00 N ATOM 0 H LYS C 21 55.587 -5.201 -5.697 1.00 0.00 H new ATOM 0 HA LYS C 21 58.406 -4.703 -6.104 1.00 0.00 H new ATOM 0 HB2 LYS C 21 58.004 -6.200 -7.894 1.00 0.00 H new ATOM 0 HB3 LYS C 21 56.645 -6.577 -6.854 1.00 0.00 H new ATOM 0 HG2 LYS C 21 55.395 -6.167 -8.746 1.00 0.00 H new ATOM 0 HG3 LYS C 21 55.570 -4.488 -8.276 1.00 0.00 H new ATOM 0 HD2 LYS C 21 56.543 -4.199 -10.334 1.00 0.00 H new ATOM 0 HD3 LYS C 21 57.965 -4.923 -9.609 1.00 0.00 H new ATOM 0 HE2 LYS C 21 57.247 -7.189 -10.365 1.00 0.00 H new ATOM 0 HE3 LYS C 21 55.743 -6.538 -10.987 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 57.440 -6.653 -12.740 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 57.024 -5.035 -12.434 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 58.481 -5.667 -11.831 1.00 0.00 H new ATOM 347 N ALA C 22 56.454 -2.522 -7.411 1.00 0.00 N ATOM 348 CA ALA C 22 56.468 -1.245 -8.182 1.00 0.00 C ATOM 349 C ALA C 22 57.349 -0.221 -7.467 1.00 0.00 C ATOM 350 O ALA C 22 58.330 0.251 -8.008 1.00 0.00 O ATOM 351 CB ALA C 22 55.011 -0.779 -8.208 1.00 0.00 C ATOM 0 H ALA C 22 55.583 -2.723 -6.921 1.00 0.00 H new ATOM 0 HA ALA C 22 56.869 -1.368 -9.188 1.00 0.00 H new ATOM 0 HB1 ALA C 22 54.939 0.158 -8.759 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.396 -1.535 -8.695 1.00 0.00 H new ATOM 0 HB3 ALA C 22 54.659 -0.628 -7.188 1.00 0.00 H new ATOM 357 N ALA C 23 57.018 0.119 -6.252 1.00 0.00 N ATOM 358 CA ALA C 23 57.854 1.102 -5.509 1.00 0.00 C ATOM 359 C ALA C 23 59.270 0.546 -5.358 1.00 0.00 C ATOM 360 O ALA C 23 60.231 1.281 -5.246 1.00 0.00 O ATOM 361 CB ALA C 23 57.180 1.253 -4.146 1.00 0.00 C ATOM 0 H ALA C 23 56.209 -0.239 -5.744 1.00 0.00 H new ATOM 0 HA ALA C 23 57.933 2.062 -6.019 1.00 0.00 H new ATOM 0 HB1 ALA C 23 57.741 1.964 -3.540 1.00 0.00 H new ATOM 0 HB2 ALA C 23 56.161 1.616 -4.282 1.00 0.00 H new ATOM 0 HB3 ALA C 23 57.156 0.286 -3.643 1.00 0.00 H new ATOM 367 N PHE C 24 59.403 -0.753 -5.368 1.00 0.00 N ATOM 368 CA PHE C 24 60.754 -1.367 -5.243 1.00 0.00 C ATOM 369 C PHE C 24 61.588 -1.012 -6.476 1.00 0.00 C ATOM 370 O PHE C 24 62.771 -0.749 -6.384 1.00 0.00 O ATOM 371 CB PHE C 24 60.494 -2.876 -5.167 1.00 0.00 C ATOM 372 CG PHE C 24 61.742 -3.634 -5.556 1.00 0.00 C ATOM 373 CD1 PHE C 24 62.024 -3.866 -6.906 1.00 0.00 C ATOM 374 CD2 PHE C 24 62.614 -4.106 -4.566 1.00 0.00 C ATOM 375 CE1 PHE C 24 63.178 -4.569 -7.271 1.00 0.00 C ATOM 376 CE2 PHE C 24 63.769 -4.809 -4.931 1.00 0.00 C ATOM 377 CZ PHE C 24 64.051 -5.042 -6.283 1.00 0.00 C ATOM 0 H PHE C 24 58.633 -1.415 -5.458 1.00 0.00 H new ATOM 0 HA PHE C 24 61.306 -1.014 -4.372 1.00 0.00 H new ATOM 0 HB2 PHE C 24 60.191 -3.151 -4.157 1.00 0.00 H new ATOM 0 HB3 PHE C 24 59.673 -3.146 -5.831 1.00 0.00 H new ATOM 0 HD1 PHE C 24 61.350 -3.502 -7.668 1.00 0.00 H new ATOM 0 HD2 PHE C 24 62.396 -3.928 -3.523 1.00 0.00 H new ATOM 0 HE1 PHE C 24 63.395 -4.747 -8.314 1.00 0.00 H new ATOM 0 HE2 PHE C 24 64.443 -5.172 -4.169 1.00 0.00 H new ATOM 0 HZ PHE C 24 64.941 -5.586 -6.564 1.00 0.00 H new ATOM 387 N ASP C 25 60.976 -0.992 -7.629 1.00 0.00 N ATOM 388 CA ASP C 25 61.731 -0.642 -8.865 1.00 0.00 C ATOM 389 C ASP C 25 62.198 0.812 -8.783 1.00 0.00 C ATOM 390 O ASP C 25 63.340 1.126 -9.058 1.00 0.00 O ATOM 391 CB ASP C 25 60.730 -0.823 -10.008 1.00 0.00 C ATOM 392 CG ASP C 25 61.362 -1.671 -11.113 1.00 0.00 C ATOM 393 OD1 ASP C 25 62.165 -1.135 -11.858 1.00 0.00 O ATOM 394 OD2 ASP C 25 61.032 -2.844 -11.196 1.00 0.00 O ATOM 0 H ASP C 25 59.988 -1.203 -7.768 1.00 0.00 H new ATOM 0 HA ASP C 25 62.617 -1.261 -9.006 1.00 0.00 H new ATOM 0 HB2 ASP C 25 59.824 -1.304 -9.639 1.00 0.00 H new ATOM 0 HB3 ASP C 25 60.436 0.149 -10.405 1.00 0.00 H new ATOM 399 N ILE C 26 61.325 1.702 -8.396 1.00 0.00 N ATOM 400 CA ILE C 26 61.722 3.137 -8.285 1.00 0.00 C ATOM 401 C ILE C 26 62.629 3.336 -7.065 1.00 0.00 C ATOM 402 O ILE C 26 63.510 4.173 -7.062 1.00 0.00 O ATOM 403 CB ILE C 26 60.412 3.903 -8.105 1.00 0.00 C ATOM 404 CG1 ILE C 26 59.653 3.937 -9.434 1.00 0.00 C ATOM 405 CG2 ILE C 26 60.714 5.334 -7.659 1.00 0.00 C ATOM 406 CD1 ILE C 26 58.662 2.774 -9.483 1.00 0.00 C ATOM 0 H ILE C 26 60.356 1.499 -8.152 1.00 0.00 H new ATOM 0 HA ILE C 26 62.276 3.481 -9.159 1.00 0.00 H new ATOM 0 HB ILE C 26 59.804 3.406 -7.349 1.00 0.00 H new ATOM 0 HG12 ILE C 26 59.124 4.884 -9.539 1.00 0.00 H new ATOM 0 HG13 ILE C 26 60.353 3.868 -10.267 1.00 0.00 H new ATOM 0 HG21 ILE C 26 59.779 5.880 -7.531 1.00 0.00 H new ATOM 0 HG22 ILE C 26 61.255 5.314 -6.713 1.00 0.00 H new ATOM 0 HG23 ILE C 26 61.323 5.830 -8.415 1.00 0.00 H new ATOM 0 HD11 ILE C 26 58.121 2.797 -10.429 1.00 0.00 H new ATOM 0 HD12 ILE C 26 59.203 1.831 -9.397 1.00 0.00 H new ATOM 0 HD13 ILE C 26 57.955 2.863 -8.658 1.00 0.00 H new ATOM 418 N PHE C 27 62.414 2.571 -6.027 1.00 0.00 N ATOM 419 CA PHE C 27 63.256 2.709 -4.801 1.00 0.00 C ATOM 420 C PHE C 27 64.725 2.425 -5.126 1.00 0.00 C ATOM 421 O PHE C 27 65.617 2.813 -4.397 1.00 0.00 O ATOM 422 CB PHE C 27 62.713 1.658 -3.834 1.00 0.00 C ATOM 423 CG PHE C 27 61.673 2.285 -2.938 1.00 0.00 C ATOM 424 CD1 PHE C 27 60.859 3.315 -3.424 1.00 0.00 C ATOM 425 CD2 PHE C 27 61.522 1.836 -1.621 1.00 0.00 C ATOM 426 CE1 PHE C 27 59.894 3.896 -2.594 1.00 0.00 C ATOM 427 CE2 PHE C 27 60.557 2.418 -0.789 1.00 0.00 C ATOM 428 CZ PHE C 27 59.744 3.447 -1.276 1.00 0.00 C ATOM 0 H PHE C 27 61.690 1.855 -5.975 1.00 0.00 H new ATOM 0 HA PHE C 27 63.214 3.715 -4.384 1.00 0.00 H new ATOM 0 HB2 PHE C 27 62.276 0.828 -4.390 1.00 0.00 H new ATOM 0 HB3 PHE C 27 63.525 1.247 -3.234 1.00 0.00 H new ATOM 0 HD1 PHE C 27 60.976 3.661 -4.440 1.00 0.00 H new ATOM 0 HD2 PHE C 27 62.149 1.041 -1.246 1.00 0.00 H new ATOM 0 HE1 PHE C 27 59.265 4.690 -2.969 1.00 0.00 H new ATOM 0 HE2 PHE C 27 60.441 2.073 0.228 1.00 0.00 H new ATOM 0 HZ PHE C 27 59.000 3.896 -0.635 1.00 0.00 H new ATOM 438 N VAL C 28 64.987 1.748 -6.210 1.00 0.00 N ATOM 439 CA VAL C 28 66.399 1.440 -6.572 1.00 0.00 C ATOM 440 C VAL C 28 66.819 2.246 -7.804 1.00 0.00 C ATOM 441 O VAL C 28 67.844 1.990 -8.405 1.00 0.00 O ATOM 442 CB VAL C 28 66.414 -0.057 -6.881 1.00 0.00 C ATOM 443 CG1 VAL C 28 65.823 -0.830 -5.699 1.00 0.00 C ATOM 444 CG2 VAL C 28 65.578 -0.327 -8.134 1.00 0.00 C ATOM 0 H VAL C 28 64.285 1.395 -6.860 1.00 0.00 H new ATOM 0 HA VAL C 28 67.094 1.698 -5.772 1.00 0.00 H new ATOM 0 HB VAL C 28 67.441 -0.382 -7.050 1.00 0.00 H new ATOM 0 HG11 VAL C 28 65.834 -1.897 -5.920 1.00 0.00 H new ATOM 0 HG12 VAL C 28 66.417 -0.638 -4.805 1.00 0.00 H new ATOM 0 HG13 VAL C 28 64.796 -0.505 -5.529 1.00 0.00 H new ATOM 0 HG21 VAL C 28 65.588 -1.394 -8.355 1.00 0.00 H new ATOM 0 HG22 VAL C 28 64.552 -0.001 -7.964 1.00 0.00 H new ATOM 0 HG23 VAL C 28 65.998 0.222 -8.977 1.00 0.00 H new ATOM 454 N LEU C 29 66.039 3.221 -8.184 1.00 0.00 N ATOM 455 CA LEU C 29 66.401 4.040 -9.376 1.00 0.00 C ATOM 456 C LEU C 29 67.848 4.525 -9.256 1.00 0.00 C ATOM 457 O LEU C 29 68.121 5.567 -8.695 1.00 0.00 O ATOM 458 CB LEU C 29 65.432 5.224 -9.356 1.00 0.00 C ATOM 459 CG LEU C 29 65.162 5.684 -10.791 1.00 0.00 C ATOM 460 CD1 LEU C 29 63.923 6.581 -10.819 1.00 0.00 C ATOM 461 CD2 LEU C 29 66.369 6.468 -11.310 1.00 0.00 C ATOM 0 H LEU C 29 65.169 3.486 -7.722 1.00 0.00 H new ATOM 0 HA LEU C 29 66.329 3.475 -10.306 1.00 0.00 H new ATOM 0 HB2 LEU C 29 64.498 4.936 -8.873 1.00 0.00 H new ATOM 0 HB3 LEU C 29 65.853 6.043 -8.773 1.00 0.00 H new ATOM 0 HG LEU C 29 64.992 4.813 -11.424 1.00 0.00 H new ATOM 0 HD11 LEU C 29 63.733 6.907 -11.842 1.00 0.00 H new ATOM 0 HD12 LEU C 29 63.062 6.024 -10.450 1.00 0.00 H new ATOM 0 HD13 LEU C 29 64.090 7.452 -10.186 1.00 0.00 H new ATOM 0 HD21 LEU C 29 66.178 6.796 -12.332 1.00 0.00 H new ATOM 0 HD22 LEU C 29 66.538 7.338 -10.675 1.00 0.00 H new ATOM 0 HD23 LEU C 29 67.252 5.829 -11.293 1.00 0.00 H new ATOM 473 N GLY C 30 68.778 3.770 -9.774 1.00 0.00 N ATOM 474 CA GLY C 30 70.208 4.180 -9.686 1.00 0.00 C ATOM 475 C GLY C 30 71.027 3.036 -9.084 1.00 0.00 C ATOM 476 O GLY C 30 72.211 2.913 -9.325 1.00 0.00 O ATOM 0 H GLY C 30 68.609 2.886 -10.255 1.00 0.00 H new ATOM 0 HA2 GLY C 30 70.587 4.432 -10.676 1.00 0.00 H new ATOM 0 HA3 GLY C 30 70.304 5.074 -9.071 1.00 0.00 H new ATOM 480 N ALA C 31 70.402 2.196 -8.304 1.00 0.00 N ATOM 481 CA ALA C 31 71.142 1.058 -7.687 1.00 0.00 C ATOM 482 C ALA C 31 71.884 0.264 -8.765 1.00 0.00 C ATOM 483 O ALA C 31 71.369 0.030 -9.840 1.00 0.00 O ATOM 484 CB ALA C 31 70.065 0.193 -7.031 1.00 0.00 C ATOM 0 H ALA C 31 69.411 2.249 -8.067 1.00 0.00 H new ATOM 0 HA ALA C 31 71.889 1.393 -6.968 1.00 0.00 H new ATOM 0 HB1 ALA C 31 70.531 -0.669 -6.553 1.00 0.00 H new ATOM 0 HB2 ALA C 31 69.533 0.780 -6.282 1.00 0.00 H new ATOM 0 HB3 ALA C 31 69.361 -0.150 -7.790 1.00 0.00 H new ATOM 490 N GLU C 32 73.088 -0.151 -8.487 1.00 0.00 N ATOM 491 CA GLU C 32 73.861 -0.928 -9.497 1.00 0.00 C ATOM 492 C GLU C 32 73.108 -2.209 -9.870 1.00 0.00 C ATOM 493 O GLU C 32 72.970 -2.544 -11.029 1.00 0.00 O ATOM 494 CB GLU C 32 75.185 -1.263 -8.811 1.00 0.00 C ATOM 495 CG GLU C 32 76.347 -0.853 -9.717 1.00 0.00 C ATOM 496 CD GLU C 32 77.649 -1.447 -9.179 1.00 0.00 C ATOM 497 OE1 GLU C 32 77.816 -1.461 -7.971 1.00 0.00 O ATOM 498 OE2 GLU C 32 78.459 -1.878 -9.984 1.00 0.00 O ATOM 0 H GLU C 32 73.571 0.014 -7.604 1.00 0.00 H new ATOM 0 HA GLU C 32 74.011 -0.369 -10.421 1.00 0.00 H new ATOM 0 HB2 GLU C 32 75.254 -0.743 -7.856 1.00 0.00 H new ATOM 0 HB3 GLU C 32 75.236 -2.331 -8.597 1.00 0.00 H new ATOM 0 HG2 GLU C 32 76.169 -1.202 -10.734 1.00 0.00 H new ATOM 0 HG3 GLU C 32 76.422 0.234 -9.761 1.00 0.00 H new ATOM 505 N ASP C 33 72.620 -2.930 -8.895 1.00 0.00 N ATOM 506 CA ASP C 33 71.880 -4.189 -9.200 1.00 0.00 C ATOM 507 C ASP C 33 70.399 -4.042 -8.834 1.00 0.00 C ATOM 508 O ASP C 33 69.542 -3.978 -9.693 1.00 0.00 O ATOM 509 CB ASP C 33 72.545 -5.260 -8.333 1.00 0.00 C ATOM 510 CG ASP C 33 72.498 -6.604 -9.059 1.00 0.00 C ATOM 511 OD1 ASP C 33 73.142 -6.720 -10.090 1.00 0.00 O ATOM 512 OD2 ASP C 33 71.820 -7.493 -8.574 1.00 0.00 O ATOM 0 H ASP C 33 72.702 -2.702 -7.904 1.00 0.00 H new ATOM 0 HA ASP C 33 71.917 -4.441 -10.260 1.00 0.00 H new ATOM 0 HB2 ASP C 33 73.578 -4.984 -8.123 1.00 0.00 H new ATOM 0 HB3 ASP C 33 72.034 -5.335 -7.373 1.00 0.00 H new ATOM 517 N GLY C 34 70.090 -3.992 -7.566 1.00 0.00 N ATOM 518 CA GLY C 34 68.665 -3.853 -7.152 1.00 0.00 C ATOM 519 C GLY C 34 68.595 -3.615 -5.643 1.00 0.00 C ATOM 520 O GLY C 34 67.757 -4.165 -4.956 1.00 0.00 O ATOM 0 H GLY C 34 70.762 -4.041 -6.800 1.00 0.00 H new ATOM 0 HA2 GLY C 34 68.200 -3.023 -7.684 1.00 0.00 H new ATOM 0 HA3 GLY C 34 68.109 -4.753 -7.416 1.00 0.00 H new ATOM 524 N CYS C 35 69.469 -2.799 -5.122 1.00 0.00 N ATOM 525 CA CYS C 35 69.453 -2.522 -3.657 1.00 0.00 C ATOM 526 C CYS C 35 69.121 -1.049 -3.406 1.00 0.00 C ATOM 527 O CYS C 35 69.285 -0.212 -4.270 1.00 0.00 O ATOM 528 CB CYS C 35 70.867 -2.847 -3.176 1.00 0.00 C ATOM 529 SG CYS C 35 71.309 -4.527 -3.687 1.00 0.00 S ATOM 0 H CYS C 35 70.195 -2.311 -5.647 1.00 0.00 H new ATOM 0 HA CYS C 35 68.702 -3.111 -3.131 1.00 0.00 H new ATOM 0 HB2 CYS C 35 71.577 -2.131 -3.590 1.00 0.00 H new ATOM 0 HB3 CYS C 35 70.922 -2.759 -2.091 1.00 0.00 H new ATOM 0 HG CYS C 35 70.585 -5.385 -3.031 1.00 0.00 H new ATOM 535 N ILE C 36 68.655 -0.727 -2.232 1.00 0.00 N ATOM 536 CA ILE C 36 68.311 0.692 -1.934 1.00 0.00 C ATOM 537 C ILE C 36 69.116 1.195 -0.734 1.00 0.00 C ATOM 538 O ILE C 36 69.727 0.430 -0.015 1.00 0.00 O ATOM 539 CB ILE C 36 66.819 0.678 -1.598 1.00 0.00 C ATOM 540 CG1 ILE C 36 66.036 0.067 -2.761 1.00 0.00 C ATOM 541 CG2 ILE C 36 66.337 2.110 -1.358 1.00 0.00 C ATOM 542 CD1 ILE C 36 64.758 -0.584 -2.227 1.00 0.00 C ATOM 0 H ILE C 36 68.497 -1.383 -1.467 1.00 0.00 H new ATOM 0 HA ILE C 36 68.539 1.351 -2.772 1.00 0.00 H new ATOM 0 HB ILE C 36 66.657 0.082 -0.700 1.00 0.00 H new ATOM 0 HG12 ILE C 36 65.787 0.837 -3.491 1.00 0.00 H new ATOM 0 HG13 ILE C 36 66.647 -0.674 -3.276 1.00 0.00 H new ATOM 0 HG21 ILE C 36 65.274 2.101 -1.119 1.00 0.00 H new ATOM 0 HG22 ILE C 36 66.892 2.546 -0.528 1.00 0.00 H new ATOM 0 HG23 ILE C 36 66.501 2.705 -2.257 1.00 0.00 H new ATOM 0 HD11 ILE C 36 64.199 -1.020 -3.055 1.00 0.00 H new ATOM 0 HD12 ILE C 36 65.019 -1.366 -1.513 1.00 0.00 H new ATOM 0 HD13 ILE C 36 64.145 0.169 -1.732 1.00 0.00 H new ATOM 554 N SER C 37 69.113 2.479 -0.513 1.00 0.00 N ATOM 555 CA SER C 37 69.865 3.047 0.641 1.00 0.00 C ATOM 556 C SER C 37 69.299 4.425 0.994 1.00 0.00 C ATOM 557 O SER C 37 68.661 4.605 2.009 1.00 0.00 O ATOM 558 CB SER C 37 71.311 3.155 0.157 1.00 0.00 C ATOM 559 OG SER C 37 71.418 4.221 -0.777 1.00 0.00 O ATOM 0 H SER C 37 68.619 3.164 -1.085 1.00 0.00 H new ATOM 0 HA SER C 37 69.790 2.432 1.538 1.00 0.00 H new ATOM 0 HB2 SER C 37 71.977 3.329 1.002 1.00 0.00 H new ATOM 0 HB3 SER C 37 71.622 2.219 -0.306 1.00 0.00 H new ATOM 0 HG SER C 37 70.805 4.063 -1.525 1.00 0.00 H new ATOM 565 N THR C 38 69.518 5.392 0.150 1.00 0.00 N ATOM 566 CA THR C 38 68.987 6.760 0.414 1.00 0.00 C ATOM 567 C THR C 38 68.891 7.525 -0.906 1.00 0.00 C ATOM 568 O THR C 38 67.944 8.246 -1.152 1.00 0.00 O ATOM 569 CB THR C 38 70.006 7.417 1.349 1.00 0.00 C ATOM 570 OG1 THR C 38 71.292 7.382 0.745 1.00 0.00 O ATOM 571 CG2 THR C 38 70.045 6.665 2.680 1.00 0.00 C ATOM 0 H THR C 38 70.045 5.295 -0.718 1.00 0.00 H new ATOM 0 HA THR C 38 67.992 6.748 0.860 1.00 0.00 H new ATOM 0 HB THR C 38 69.716 8.452 1.530 1.00 0.00 H new ATOM 0 HG1 THR C 38 71.945 7.804 1.342 1.00 0.00 H new ATOM 0 HG21 THR C 38 70.771 7.136 3.343 1.00 0.00 H new ATOM 0 HG22 THR C 38 69.059 6.694 3.143 1.00 0.00 H new ATOM 0 HG23 THR C 38 70.333 5.628 2.504 1.00 0.00 H new ATOM 579 N LYS C 39 69.858 7.358 -1.766 1.00 0.00 N ATOM 580 CA LYS C 39 69.817 8.056 -3.080 1.00 0.00 C ATOM 581 C LYS C 39 68.725 7.431 -3.949 1.00 0.00 C ATOM 582 O LYS C 39 68.045 8.105 -4.698 1.00 0.00 O ATOM 583 CB LYS C 39 71.196 7.821 -3.698 1.00 0.00 C ATOM 584 CG LYS C 39 71.548 8.984 -4.625 1.00 0.00 C ATOM 585 CD LYS C 39 72.965 9.470 -4.316 1.00 0.00 C ATOM 586 CE LYS C 39 73.837 9.333 -5.565 1.00 0.00 C ATOM 587 NZ LYS C 39 75.168 8.897 -5.060 1.00 0.00 N ATOM 0 H LYS C 39 70.676 6.767 -1.614 1.00 0.00 H new ATOM 0 HA LYS C 39 69.595 9.119 -2.988 1.00 0.00 H new ATOM 0 HB2 LYS C 39 71.946 7.729 -2.913 1.00 0.00 H new ATOM 0 HB3 LYS C 39 71.201 6.884 -4.255 1.00 0.00 H new ATOM 0 HG2 LYS C 39 71.479 8.667 -5.666 1.00 0.00 H new ATOM 0 HG3 LYS C 39 70.835 9.798 -4.492 1.00 0.00 H new ATOM 0 HD2 LYS C 39 72.941 10.510 -3.989 1.00 0.00 H new ATOM 0 HD3 LYS C 39 73.390 8.888 -3.498 1.00 0.00 H new ATOM 0 HE2 LYS C 39 73.420 8.604 -6.259 1.00 0.00 H new ATOM 0 HE3 LYS C 39 73.909 10.279 -6.102 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 75.822 8.781 -5.860 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 75.543 9.614 -4.407 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 75.070 7.991 -4.560 1.00 0.00 H new ATOM 601 N GLU C 40 68.546 6.143 -3.835 1.00 0.00 N ATOM 602 CA GLU C 40 67.490 5.457 -4.632 1.00 0.00 C ATOM 603 C GLU C 40 66.146 5.611 -3.922 1.00 0.00 C ATOM 604 O GLU C 40 65.107 5.727 -4.541 1.00 0.00 O ATOM 605 CB GLU C 40 67.906 3.983 -4.664 1.00 0.00 C ATOM 606 CG GLU C 40 69.411 3.869 -4.917 1.00 0.00 C ATOM 607 CD GLU C 40 70.135 3.576 -3.601 1.00 0.00 C ATOM 608 OE1 GLU C 40 69.787 4.189 -2.606 1.00 0.00 O ATOM 609 OE2 GLU C 40 71.026 2.743 -3.612 1.00 0.00 O ATOM 0 H GLU C 40 69.088 5.534 -3.222 1.00 0.00 H new ATOM 0 HA GLU C 40 67.387 5.869 -5.636 1.00 0.00 H new ATOM 0 HB2 GLU C 40 67.651 3.504 -3.719 1.00 0.00 H new ATOM 0 HB3 GLU C 40 67.357 3.459 -5.446 1.00 0.00 H new ATOM 0 HG2 GLU C 40 69.609 3.075 -5.637 1.00 0.00 H new ATOM 0 HG3 GLU C 40 69.787 4.795 -5.352 1.00 0.00 H new ATOM 616 N LEU C 41 66.169 5.611 -2.618 1.00 0.00 N ATOM 617 CA LEU C 41 64.907 5.758 -1.842 1.00 0.00 C ATOM 618 C LEU C 41 64.507 7.234 -1.767 1.00 0.00 C ATOM 619 O LEU C 41 63.385 7.599 -2.061 1.00 0.00 O ATOM 620 CB LEU C 41 65.248 5.215 -0.452 1.00 0.00 C ATOM 621 CG LEU C 41 63.961 4.946 0.329 1.00 0.00 C ATOM 622 CD1 LEU C 41 63.184 6.252 0.485 1.00 0.00 C ATOM 623 CD2 LEU C 41 63.106 3.931 -0.429 1.00 0.00 C ATOM 0 H LEU C 41 67.013 5.515 -2.054 1.00 0.00 H new ATOM 0 HA LEU C 41 64.068 5.229 -2.294 1.00 0.00 H new ATOM 0 HB2 LEU C 41 65.828 4.297 -0.543 1.00 0.00 H new ATOM 0 HB3 LEU C 41 65.868 5.932 0.086 1.00 0.00 H new ATOM 0 HG LEU C 41 64.207 4.547 1.313 1.00 0.00 H new ATOM 0 HD11 LEU C 41 62.266 6.065 1.041 1.00 0.00 H new ATOM 0 HD12 LEU C 41 63.794 6.976 1.025 1.00 0.00 H new ATOM 0 HD13 LEU C 41 62.937 6.648 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU C 41 62.189 3.740 0.128 1.00 0.00 H new ATOM 0 HD22 LEU C 41 62.857 4.328 -1.413 1.00 0.00 H new ATOM 0 HD23 LEU C 41 63.662 3.000 -0.543 1.00 0.00 H new ATOM 635 N GLY C 42 65.415 8.085 -1.375 1.00 0.00 N ATOM 636 CA GLY C 42 65.086 9.535 -1.278 1.00 0.00 C ATOM 637 C GLY C 42 64.473 10.009 -2.595 1.00 0.00 C ATOM 638 O GLY C 42 63.668 10.919 -2.623 1.00 0.00 O ATOM 0 H GLY C 42 66.371 7.839 -1.118 1.00 0.00 H new ATOM 0 HA2 GLY C 42 64.389 9.706 -0.458 1.00 0.00 H new ATOM 0 HA3 GLY C 42 65.986 10.109 -1.056 1.00 0.00 H new ATOM 642 N LYS C 43 64.842 9.402 -3.690 1.00 0.00 N ATOM 643 CA LYS C 43 64.271 9.824 -5.000 1.00 0.00 C ATOM 644 C LYS C 43 62.743 9.804 -4.934 1.00 0.00 C ATOM 645 O LYS C 43 62.072 10.577 -5.591 1.00 0.00 O ATOM 646 CB LYS C 43 64.782 8.794 -6.008 1.00 0.00 C ATOM 647 CG LYS C 43 66.115 9.268 -6.589 1.00 0.00 C ATOM 648 CD LYS C 43 65.891 9.815 -7.999 1.00 0.00 C ATOM 649 CE LYS C 43 64.797 10.885 -7.964 1.00 0.00 C ATOM 650 NZ LYS C 43 64.587 11.266 -9.389 1.00 0.00 N ATOM 0 H LYS C 43 65.512 8.634 -3.734 1.00 0.00 H new ATOM 0 HA LYS C 43 64.565 10.837 -5.275 1.00 0.00 H new ATOM 0 HB2 LYS C 43 64.908 7.826 -5.523 1.00 0.00 H new ATOM 0 HB3 LYS C 43 64.053 8.658 -6.807 1.00 0.00 H new ATOM 0 HG2 LYS C 43 66.547 10.040 -5.952 1.00 0.00 H new ATOM 0 HG3 LYS C 43 66.826 8.442 -6.616 1.00 0.00 H new ATOM 0 HD2 LYS C 43 66.817 10.239 -8.387 1.00 0.00 H new ATOM 0 HD3 LYS C 43 65.603 9.008 -8.672 1.00 0.00 H new ATOM 0 HE2 LYS C 43 63.880 10.498 -7.519 1.00 0.00 H new ATOM 0 HE3 LYS C 43 65.103 11.744 -7.367 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 63.850 11.997 -9.448 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 65.475 11.637 -9.784 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 64.290 10.430 -9.932 1.00 0.00 H new ATOM 664 N VAL C 44 62.187 8.929 -4.140 1.00 0.00 N ATOM 665 CA VAL C 44 60.703 8.862 -4.027 1.00 0.00 C ATOM 666 C VAL C 44 60.190 10.019 -3.168 1.00 0.00 C ATOM 667 O VAL C 44 59.150 10.587 -3.431 1.00 0.00 O ATOM 668 CB VAL C 44 60.418 7.524 -3.342 1.00 0.00 C ATOM 669 CG1 VAL C 44 58.952 7.472 -2.913 1.00 0.00 C ATOM 670 CG2 VAL C 44 60.704 6.383 -4.321 1.00 0.00 C ATOM 0 H VAL C 44 62.697 8.258 -3.565 1.00 0.00 H new ATOM 0 HA VAL C 44 60.210 8.938 -4.996 1.00 0.00 H new ATOM 0 HB VAL C 44 61.056 7.421 -2.464 1.00 0.00 H new ATOM 0 HG11 VAL C 44 58.749 6.519 -2.425 1.00 0.00 H new ATOM 0 HG12 VAL C 44 58.747 8.286 -2.218 1.00 0.00 H new ATOM 0 HG13 VAL C 44 58.312 7.574 -3.790 1.00 0.00 H new ATOM 0 HG21 VAL C 44 60.502 5.428 -3.836 1.00 0.00 H new ATOM 0 HG22 VAL C 44 60.065 6.487 -5.198 1.00 0.00 H new ATOM 0 HG23 VAL C 44 61.749 6.420 -4.628 1.00 0.00 H new ATOM 680 N MET C 45 60.914 10.373 -2.142 1.00 0.00 N ATOM 681 CA MET C 45 60.466 11.493 -1.266 1.00 0.00 C ATOM 682 C MET C 45 60.042 12.690 -2.118 1.00 0.00 C ATOM 683 O MET C 45 58.874 13.014 -2.211 1.00 0.00 O ATOM 684 CB MET C 45 61.687 11.838 -0.413 1.00 0.00 C ATOM 685 CG MET C 45 61.670 10.993 0.863 1.00 0.00 C ATOM 686 SD MET C 45 62.064 9.272 0.456 1.00 0.00 S ATOM 687 CE MET C 45 60.389 8.750 0.008 1.00 0.00 C ATOM 0 H MET C 45 61.795 9.936 -1.872 1.00 0.00 H new ATOM 0 HA MET C 45 59.606 11.224 -0.652 1.00 0.00 H new ATOM 0 HB2 MET C 45 62.602 11.650 -0.975 1.00 0.00 H new ATOM 0 HB3 MET C 45 61.680 12.898 -0.160 1.00 0.00 H new ATOM 0 HG2 MET C 45 62.393 11.383 1.579 1.00 0.00 H new ATOM 0 HG3 MET C 45 60.690 11.050 1.336 1.00 0.00 H new ATOM 0 HE1 MET C 45 60.174 7.785 0.466 1.00 0.00 H new ATOM 0 HE2 MET C 45 59.670 9.489 0.363 1.00 0.00 H new ATOM 0 HE3 MET C 45 60.313 8.662 -1.076 1.00 0.00 H new ATOM 697 N ARG C 46 60.977 13.345 -2.748 1.00 0.00 N ATOM 698 CA ARG C 46 60.618 14.515 -3.599 1.00 0.00 C ATOM 699 C ARG C 46 59.618 14.089 -4.678 1.00 0.00 C ATOM 700 O ARG C 46 58.954 14.907 -5.282 1.00 0.00 O ATOM 701 CB ARG C 46 61.935 14.962 -4.235 1.00 0.00 C ATOM 702 CG ARG C 46 62.385 16.282 -3.604 1.00 0.00 C ATOM 703 CD ARG C 46 63.838 16.157 -3.141 1.00 0.00 C ATOM 704 NE ARG C 46 64.644 16.180 -4.392 1.00 0.00 N ATOM 705 CZ ARG C 46 65.588 15.298 -4.578 1.00 0.00 C ATOM 706 NH1 ARG C 46 66.502 15.120 -3.663 1.00 0.00 N ATOM 707 NH2 ARG C 46 65.617 14.593 -5.675 1.00 0.00 N ATOM 0 H ARG C 46 61.972 13.122 -2.711 1.00 0.00 H new ATOM 0 HA ARG C 46 60.151 15.317 -3.027 1.00 0.00 H new ATOM 0 HB2 ARG C 46 62.699 14.198 -4.090 1.00 0.00 H new ATOM 0 HB3 ARG C 46 61.808 15.085 -5.311 1.00 0.00 H new ATOM 0 HG2 ARG C 46 62.291 17.093 -4.326 1.00 0.00 H new ATOM 0 HG3 ARG C 46 61.743 16.531 -2.759 1.00 0.00 H new ATOM 0 HD2 ARG C 46 64.113 16.978 -2.479 1.00 0.00 H new ATOM 0 HD3 ARG C 46 63.997 15.233 -2.586 1.00 0.00 H new ATOM 0 HE ARG C 46 64.458 16.886 -5.105 1.00 0.00 H new ATOM 0 HH11 ARG C 46 66.478 15.670 -2.804 1.00 0.00 H new ATOM 0 HH12 ARG C 46 67.240 14.431 -3.807 1.00 0.00 H new ATOM 0 HH21 ARG C 46 64.901 14.731 -6.389 1.00 0.00 H new ATOM 0 HH22 ARG C 46 66.355 13.904 -5.819 1.00 0.00 H new ATOM 721 N MET C 47 59.505 12.810 -4.920 1.00 0.00 N ATOM 722 CA MET C 47 58.547 12.326 -5.956 1.00 0.00 C ATOM 723 C MET C 47 57.140 12.210 -5.361 1.00 0.00 C ATOM 724 O MET C 47 56.154 12.455 -6.028 1.00 0.00 O ATOM 725 CB MET C 47 59.074 10.949 -6.368 1.00 0.00 C ATOM 726 CG MET C 47 59.861 11.072 -7.674 1.00 0.00 C ATOM 727 SD MET C 47 60.892 9.600 -7.903 1.00 0.00 S ATOM 728 CE MET C 47 59.581 8.365 -7.728 1.00 0.00 C ATOM 0 H MET C 47 60.035 12.079 -4.445 1.00 0.00 H new ATOM 0 HA MET C 47 58.476 13.005 -6.805 1.00 0.00 H new ATOM 0 HB2 MET C 47 59.712 10.543 -5.583 1.00 0.00 H new ATOM 0 HB3 MET C 47 58.244 10.254 -6.495 1.00 0.00 H new ATOM 0 HG2 MET C 47 59.176 11.183 -8.514 1.00 0.00 H new ATOM 0 HG3 MET C 47 60.485 11.966 -7.652 1.00 0.00 H new ATOM 0 HE1 MET C 47 59.703 7.837 -6.782 1.00 0.00 H new ATOM 0 HE2 MET C 47 58.610 8.860 -7.745 1.00 0.00 H new ATOM 0 HE3 MET C 47 59.639 7.653 -8.551 1.00 0.00 H new ATOM 738 N LEU C 48 57.038 11.842 -4.112 1.00 0.00 N ATOM 739 CA LEU C 48 55.690 11.716 -3.483 1.00 0.00 C ATOM 740 C LEU C 48 55.107 13.104 -3.205 1.00 0.00 C ATOM 741 O LEU C 48 53.913 13.313 -3.277 1.00 0.00 O ATOM 742 CB LEU C 48 55.925 10.960 -2.174 1.00 0.00 C ATOM 743 CG LEU C 48 56.626 9.634 -2.469 1.00 0.00 C ATOM 744 CD1 LEU C 48 57.504 9.242 -1.278 1.00 0.00 C ATOM 745 CD2 LEU C 48 55.580 8.543 -2.711 1.00 0.00 C ATOM 0 H LEU C 48 57.826 11.624 -3.502 1.00 0.00 H new ATOM 0 HA LEU C 48 54.982 11.196 -4.128 1.00 0.00 H new ATOM 0 HB2 LEU C 48 56.532 11.562 -1.498 1.00 0.00 H new ATOM 0 HB3 LEU C 48 54.975 10.777 -1.672 1.00 0.00 H new ATOM 0 HG LEU C 48 57.247 9.745 -3.358 1.00 0.00 H new ATOM 0 HD11 LEU C 48 58.003 8.296 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU C 48 58.252 10.017 -1.107 1.00 0.00 H new ATOM 0 HD13 LEU C 48 56.883 9.133 -0.389 1.00 0.00 H new ATOM 0 HD21 LEU C 48 56.082 7.598 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU C 48 54.957 8.433 -1.824 1.00 0.00 H new ATOM 0 HD23 LEU C 48 54.956 8.819 -3.561 1.00 0.00 H new ATOM 757 N GLY C 49 55.944 14.056 -2.889 1.00 0.00 N ATOM 758 CA GLY C 49 55.438 15.431 -2.610 1.00 0.00 C ATOM 759 C GLY C 49 55.934 15.900 -1.239 1.00 0.00 C ATOM 760 O GLY C 49 55.316 16.726 -0.596 1.00 0.00 O ATOM 0 H GLY C 49 56.955 13.941 -2.812 1.00 0.00 H new ATOM 0 HA2 GLY C 49 55.779 16.118 -3.385 1.00 0.00 H new ATOM 0 HA3 GLY C 49 54.348 15.439 -2.635 1.00 0.00 H new ATOM 764 N GLN C 50 57.044 15.386 -0.786 1.00 0.00 N ATOM 765 CA GLN C 50 57.576 15.809 0.541 1.00 0.00 C ATOM 766 C GLN C 50 59.102 15.683 0.560 1.00 0.00 C ATOM 767 O GLN C 50 59.726 15.447 -0.455 1.00 0.00 O ATOM 768 CB GLN C 50 56.941 14.850 1.548 1.00 0.00 C ATOM 769 CG GLN C 50 56.394 15.647 2.734 1.00 0.00 C ATOM 770 CD GLN C 50 54.906 15.344 2.912 1.00 0.00 C ATOM 771 OE1 GLN C 50 54.417 14.338 2.437 1.00 0.00 O ATOM 772 NE2 GLN C 50 54.158 16.177 3.583 1.00 0.00 N ATOM 0 H GLN C 50 57.606 14.691 -1.277 1.00 0.00 H new ATOM 0 HA GLN C 50 57.341 16.848 0.770 1.00 0.00 H new ATOM 0 HB2 GLN C 50 56.138 14.286 1.073 1.00 0.00 H new ATOM 0 HB3 GLN C 50 57.679 14.125 1.892 1.00 0.00 H new ATOM 0 HG2 GLN C 50 56.939 15.388 3.642 1.00 0.00 H new ATOM 0 HG3 GLN C 50 56.541 16.714 2.567 1.00 0.00 H new ATOM 0 HE21 GLN C 50 54.567 17.022 3.982 1.00 0.00 H new ATOM 0 HE22 GLN C 50 53.164 15.983 3.708 1.00 0.00 H new ATOM 781 N ASN C 51 59.710 15.840 1.705 1.00 0.00 N ATOM 782 CA ASN C 51 61.196 15.728 1.776 1.00 0.00 C ATOM 783 C ASN C 51 61.676 15.894 3.219 1.00 0.00 C ATOM 784 O ASN C 51 61.913 16.996 3.673 1.00 0.00 O ATOM 785 CB ASN C 51 61.720 16.870 0.905 1.00 0.00 C ATOM 786 CG ASN C 51 61.043 18.178 1.318 1.00 0.00 C ATOM 787 OD1 ASN C 51 59.886 18.398 1.017 1.00 0.00 O ATOM 788 ND2 ASN C 51 61.718 19.060 2.003 1.00 0.00 N ATOM 0 H ASN C 51 59.245 16.040 2.591 1.00 0.00 H new ATOM 0 HA ASN C 51 61.551 14.755 1.435 1.00 0.00 H new ATOM 0 HB2 ASN C 51 62.801 16.958 1.013 1.00 0.00 H new ATOM 0 HB3 ASN C 51 61.521 16.661 -0.146 1.00 0.00 H new ATOM 0 HD21 ASN C 51 61.275 19.934 2.286 1.00 0.00 H new ATOM 0 HD22 ASN C 51 62.689 18.875 2.256 1.00 0.00 H new ATOM 795 N PRO C 52 61.810 14.784 3.892 1.00 0.00 N ATOM 796 CA PRO C 52 62.275 14.796 5.301 1.00 0.00 C ATOM 797 C PRO C 52 63.773 15.106 5.361 1.00 0.00 C ATOM 798 O PRO C 52 64.371 15.520 4.388 1.00 0.00 O ATOM 799 CB PRO C 52 61.998 13.374 5.780 1.00 0.00 C ATOM 800 CG PRO C 52 62.003 12.540 4.538 1.00 0.00 C ATOM 801 CD PRO C 52 61.541 13.426 3.410 1.00 0.00 C ATOM 0 HA PRO C 52 61.780 15.551 5.912 1.00 0.00 H new ATOM 0 HB2 PRO C 52 62.760 13.039 6.484 1.00 0.00 H new ATOM 0 HB3 PRO C 52 61.039 13.310 6.294 1.00 0.00 H new ATOM 0 HG2 PRO C 52 63.002 12.151 4.339 1.00 0.00 H new ATOM 0 HG3 PRO C 52 61.342 11.680 4.648 1.00 0.00 H new ATOM 0 HD2 PRO C 52 62.084 13.215 2.489 1.00 0.00 H new ATOM 0 HD3 PRO C 52 60.482 13.281 3.197 1.00 0.00 H new ATOM 809 N THR C 53 64.385 14.907 6.496 1.00 0.00 N ATOM 810 CA THR C 53 65.845 15.187 6.615 1.00 0.00 C ATOM 811 C THR C 53 66.651 13.986 6.115 1.00 0.00 C ATOM 812 O THR C 53 66.120 12.903 5.960 1.00 0.00 O ATOM 813 CB THR C 53 66.086 15.407 8.110 1.00 0.00 C ATOM 814 OG1 THR C 53 65.177 14.609 8.856 1.00 0.00 O ATOM 815 CG2 THR C 53 65.874 16.883 8.454 1.00 0.00 C ATOM 0 H THR C 53 63.938 14.563 7.346 1.00 0.00 H new ATOM 0 HA THR C 53 66.151 16.049 6.022 1.00 0.00 H new ATOM 0 HB THR C 53 67.109 15.124 8.358 1.00 0.00 H new ATOM 0 HG1 THR C 53 65.331 14.747 9.814 1.00 0.00 H new ATOM 0 HG21 THR C 53 66.046 17.037 9.519 1.00 0.00 H new ATOM 0 HG22 THR C 53 66.572 17.494 7.882 1.00 0.00 H new ATOM 0 HG23 THR C 53 64.852 17.171 8.206 1.00 0.00 H new ATOM 823 N PRO C 54 67.915 14.217 5.881 1.00 0.00 N ATOM 824 CA PRO C 54 68.807 13.134 5.398 1.00 0.00 C ATOM 825 C PRO C 54 69.055 12.122 6.518 1.00 0.00 C ATOM 826 O PRO C 54 69.495 11.014 6.283 1.00 0.00 O ATOM 827 CB PRO C 54 70.092 13.868 5.024 1.00 0.00 C ATOM 828 CG PRO C 54 70.075 15.117 5.846 1.00 0.00 C ATOM 829 CD PRO C 54 68.627 15.489 6.045 1.00 0.00 C ATOM 0 HA PRO C 54 68.393 12.569 4.563 1.00 0.00 H new ATOM 0 HB2 PRO C 54 70.971 13.262 5.244 1.00 0.00 H new ATOM 0 HB3 PRO C 54 70.121 14.097 3.959 1.00 0.00 H new ATOM 0 HG2 PRO C 54 70.568 14.955 6.805 1.00 0.00 H new ATOM 0 HG3 PRO C 54 70.614 15.919 5.342 1.00 0.00 H new ATOM 0 HD2 PRO C 54 68.456 15.919 7.032 1.00 0.00 H new ATOM 0 HD3 PRO C 54 68.299 16.228 5.314 1.00 0.00 H new ATOM 837 N GLU C 55 68.766 12.494 7.735 1.00 0.00 N ATOM 838 CA GLU C 55 68.974 11.556 8.873 1.00 0.00 C ATOM 839 C GLU C 55 67.806 10.570 8.950 1.00 0.00 C ATOM 840 O GLU C 55 67.990 9.387 9.155 1.00 0.00 O ATOM 841 CB GLU C 55 69.011 12.446 10.116 1.00 0.00 C ATOM 842 CG GLU C 55 69.815 11.754 11.219 1.00 0.00 C ATOM 843 CD GLU C 55 69.525 12.427 12.563 1.00 0.00 C ATOM 844 OE1 GLU C 55 69.212 13.606 12.558 1.00 0.00 O ATOM 845 OE2 GLU C 55 69.622 11.751 13.574 1.00 0.00 O ATOM 0 H GLU C 55 68.394 13.409 7.990 1.00 0.00 H new ATOM 0 HA GLU C 55 69.886 10.967 8.770 1.00 0.00 H new ATOM 0 HB2 GLU C 55 69.461 13.409 9.873 1.00 0.00 H new ATOM 0 HB3 GLU C 55 67.997 12.647 10.462 1.00 0.00 H new ATOM 0 HG2 GLU C 55 69.553 10.697 11.266 1.00 0.00 H new ATOM 0 HG3 GLU C 55 70.880 11.809 10.996 1.00 0.00 H new ATOM 852 N GLU C 56 66.604 11.051 8.780 1.00 0.00 N ATOM 853 CA GLU C 56 65.422 10.145 8.836 1.00 0.00 C ATOM 854 C GLU C 56 65.460 9.164 7.661 1.00 0.00 C ATOM 855 O GLU C 56 64.867 8.105 7.703 1.00 0.00 O ATOM 856 CB GLU C 56 64.210 11.069 8.726 1.00 0.00 C ATOM 857 CG GLU C 56 62.926 10.237 8.739 1.00 0.00 C ATOM 858 CD GLU C 56 61.877 10.908 7.850 1.00 0.00 C ATOM 859 OE1 GLU C 56 61.261 11.856 8.307 1.00 0.00 O ATOM 860 OE2 GLU C 56 61.708 10.462 6.727 1.00 0.00 O ATOM 0 H GLU C 56 66.390 12.033 8.605 1.00 0.00 H new ATOM 0 HA GLU C 56 65.396 9.550 9.749 1.00 0.00 H new ATOM 0 HB2 GLU C 56 64.204 11.778 9.554 1.00 0.00 H new ATOM 0 HB3 GLU C 56 64.268 11.653 7.807 1.00 0.00 H new ATOM 0 HG2 GLU C 56 63.130 9.228 8.381 1.00 0.00 H new ATOM 0 HG3 GLU C 56 62.550 10.144 9.758 1.00 0.00 H new ATOM 867 N LEU C 57 66.160 9.508 6.615 1.00 0.00 N ATOM 868 CA LEU C 57 66.243 8.595 5.440 1.00 0.00 C ATOM 869 C LEU C 57 66.947 7.295 5.837 1.00 0.00 C ATOM 870 O LEU C 57 66.420 6.214 5.665 1.00 0.00 O ATOM 871 CB LEU C 57 67.072 9.358 4.406 1.00 0.00 C ATOM 872 CG LEU C 57 66.242 9.573 3.141 1.00 0.00 C ATOM 873 CD1 LEU C 57 67.147 10.080 2.018 1.00 0.00 C ATOM 874 CD2 LEU C 57 65.602 8.247 2.720 1.00 0.00 C ATOM 0 H LEU C 57 66.678 10.382 6.523 1.00 0.00 H new ATOM 0 HA LEU C 57 65.261 8.323 5.054 1.00 0.00 H new ATOM 0 HB2 LEU C 57 67.387 10.318 4.814 1.00 0.00 H new ATOM 0 HB3 LEU C 57 67.978 8.801 4.168 1.00 0.00 H new ATOM 0 HG LEU C 57 65.461 10.308 3.339 1.00 0.00 H new ATOM 0 HD11 LEU C 57 66.556 10.234 1.115 1.00 0.00 H new ATOM 0 HD12 LEU C 57 67.604 11.023 2.317 1.00 0.00 H new ATOM 0 HD13 LEU C 57 67.927 9.345 1.820 1.00 0.00 H new ATOM 0 HD21 LEU C 57 65.010 8.399 1.818 1.00 0.00 H new ATOM 0 HD22 LEU C 57 66.383 7.513 2.522 1.00 0.00 H new ATOM 0 HD23 LEU C 57 64.957 7.884 3.520 1.00 0.00 H new ATOM 886 N GLN C 58 68.133 7.395 6.371 1.00 0.00 N ATOM 887 CA GLN C 58 68.870 6.168 6.783 1.00 0.00 C ATOM 888 C GLN C 58 67.994 5.316 7.704 1.00 0.00 C ATOM 889 O GLN C 58 68.047 4.103 7.681 1.00 0.00 O ATOM 890 CB GLN C 58 70.102 6.676 7.533 1.00 0.00 C ATOM 891 CG GLN C 58 71.367 6.254 6.782 1.00 0.00 C ATOM 892 CD GLN C 58 72.256 5.422 7.706 1.00 0.00 C ATOM 893 OE1 GLN C 58 72.754 5.918 8.697 1.00 0.00 O ATOM 894 NE2 GLN C 58 72.478 4.167 7.422 1.00 0.00 N ATOM 0 H GLN C 58 68.623 8.273 6.540 1.00 0.00 H new ATOM 0 HA GLN C 58 69.143 5.543 5.932 1.00 0.00 H new ATOM 0 HB2 GLN C 58 70.064 7.762 7.622 1.00 0.00 H new ATOM 0 HB3 GLN C 58 70.116 6.273 8.546 1.00 0.00 H new ATOM 0 HG2 GLN C 58 71.101 5.675 5.898 1.00 0.00 H new ATOM 0 HG3 GLN C 58 71.908 7.135 6.436 1.00 0.00 H new ATOM 0 HE21 GLN C 58 72.060 3.751 6.590 1.00 0.00 H new ATOM 0 HE22 GLN C 58 73.070 3.603 8.032 1.00 0.00 H new ATOM 903 N GLU C 59 67.184 5.944 8.514 1.00 0.00 N ATOM 904 CA GLU C 59 66.303 5.169 9.432 1.00 0.00 C ATOM 905 C GLU C 59 65.436 4.197 8.629 1.00 0.00 C ATOM 906 O GLU C 59 65.192 3.081 9.043 1.00 0.00 O ATOM 907 CB GLU C 59 65.432 6.215 10.127 1.00 0.00 C ATOM 908 CG GLU C 59 65.091 5.736 11.538 1.00 0.00 C ATOM 909 CD GLU C 59 65.211 6.904 12.519 1.00 0.00 C ATOM 910 OE1 GLU C 59 66.256 7.532 12.536 1.00 0.00 O ATOM 911 OE2 GLU C 59 64.254 7.152 13.233 1.00 0.00 O ATOM 0 H GLU C 59 67.095 6.958 8.579 1.00 0.00 H new ATOM 0 HA GLU C 59 66.872 4.575 10.148 1.00 0.00 H new ATOM 0 HB2 GLU C 59 65.957 7.169 10.172 1.00 0.00 H new ATOM 0 HB3 GLU C 59 64.518 6.380 9.556 1.00 0.00 H new ATOM 0 HG2 GLU C 59 64.079 5.331 11.561 1.00 0.00 H new ATOM 0 HG3 GLU C 59 65.764 4.930 11.832 1.00 0.00 H new ATOM 918 N MET C 60 64.973 4.610 7.481 1.00 0.00 N ATOM 919 CA MET C 60 64.127 3.704 6.653 1.00 0.00 C ATOM 920 C MET C 60 64.944 2.486 6.221 1.00 0.00 C ATOM 921 O MET C 60 64.412 1.502 5.745 1.00 0.00 O ATOM 922 CB MET C 60 63.722 4.537 5.436 1.00 0.00 C ATOM 923 CG MET C 60 62.391 5.239 5.716 1.00 0.00 C ATOM 924 SD MET C 60 61.963 6.301 4.313 1.00 0.00 S ATOM 925 CE MET C 60 60.945 5.101 3.418 1.00 0.00 C ATOM 0 H MET C 60 65.143 5.533 7.081 1.00 0.00 H new ATOM 0 HA MET C 60 63.257 3.334 7.196 1.00 0.00 H new ATOM 0 HB2 MET C 60 64.494 5.274 5.213 1.00 0.00 H new ATOM 0 HB3 MET C 60 63.630 3.897 4.559 1.00 0.00 H new ATOM 0 HG2 MET C 60 61.606 4.501 5.880 1.00 0.00 H new ATOM 0 HG3 MET C 60 62.465 5.833 6.627 1.00 0.00 H new ATOM 0 HE1 MET C 60 60.526 5.571 2.528 1.00 0.00 H new ATOM 0 HE2 MET C 60 61.559 4.250 3.124 1.00 0.00 H new ATOM 0 HE3 MET C 60 60.135 4.758 4.062 1.00 0.00 H new ATOM 935 N ILE C 61 66.237 2.547 6.386 1.00 0.00 N ATOM 936 CA ILE C 61 67.098 1.400 5.988 1.00 0.00 C ATOM 937 C ILE C 61 67.481 0.580 7.223 1.00 0.00 C ATOM 938 O ILE C 61 67.088 -0.560 7.370 1.00 0.00 O ATOM 939 CB ILE C 61 68.334 2.039 5.355 1.00 0.00 C ATOM 940 CG1 ILE C 61 67.942 2.670 4.018 1.00 0.00 C ATOM 941 CG2 ILE C 61 69.407 0.972 5.115 1.00 0.00 C ATOM 942 CD1 ILE C 61 67.519 4.123 4.241 1.00 0.00 C ATOM 0 H ILE C 61 66.735 3.345 6.781 1.00 0.00 H new ATOM 0 HA ILE C 61 66.597 0.719 5.300 1.00 0.00 H new ATOM 0 HB ILE C 61 68.730 2.802 6.025 1.00 0.00 H new ATOM 0 HG12 ILE C 61 68.782 2.627 3.324 1.00 0.00 H new ATOM 0 HG13 ILE C 61 67.125 2.108 3.565 1.00 0.00 H new ATOM 0 HG21 ILE C 61 70.285 1.434 4.664 1.00 0.00 H new ATOM 0 HG22 ILE C 61 69.685 0.515 6.065 1.00 0.00 H new ATOM 0 HG23 ILE C 61 69.015 0.206 4.445 1.00 0.00 H new ATOM 0 HD11 ILE C 61 67.240 4.571 3.287 1.00 0.00 H new ATOM 0 HD12 ILE C 61 66.667 4.154 4.920 1.00 0.00 H new ATOM 0 HD13 ILE C 61 68.349 4.681 4.675 1.00 0.00 H new ATOM 954 N ASP C 62 68.247 1.154 8.111 1.00 0.00 N ATOM 955 CA ASP C 62 68.655 0.410 9.337 1.00 0.00 C ATOM 956 C ASP C 62 67.428 -0.218 10.005 1.00 0.00 C ATOM 957 O ASP C 62 67.530 -1.194 10.720 1.00 0.00 O ATOM 958 CB ASP C 62 69.283 1.463 10.249 1.00 0.00 C ATOM 959 CG ASP C 62 69.929 0.778 11.454 1.00 0.00 C ATOM 960 OD1 ASP C 62 70.890 0.054 11.253 1.00 0.00 O ATOM 961 OD2 ASP C 62 69.451 0.988 12.556 1.00 0.00 O ATOM 0 H ASP C 62 68.608 2.105 8.040 1.00 0.00 H new ATOM 0 HA ASP C 62 69.348 -0.402 9.117 1.00 0.00 H new ATOM 0 HB2 ASP C 62 70.030 2.036 9.700 1.00 0.00 H new ATOM 0 HB3 ASP C 62 68.523 2.169 10.583 1.00 0.00 H new ATOM 966 N GLU C 63 66.270 0.338 9.778 1.00 0.00 N ATOM 967 CA GLU C 63 65.038 -0.227 10.399 1.00 0.00 C ATOM 968 C GLU C 63 64.907 -1.712 10.052 1.00 0.00 C ATOM 969 O GLU C 63 64.753 -2.551 10.918 1.00 0.00 O ATOM 970 CB GLU C 63 63.884 0.571 9.791 1.00 0.00 C ATOM 971 CG GLU C 63 63.299 1.510 10.848 1.00 0.00 C ATOM 972 CD GLU C 63 62.157 2.320 10.232 1.00 0.00 C ATOM 973 OE1 GLU C 63 62.294 2.728 9.091 1.00 0.00 O ATOM 974 OE2 GLU C 63 61.164 2.519 10.914 1.00 0.00 O ATOM 0 H GLU C 63 66.123 1.158 9.190 1.00 0.00 H new ATOM 0 HA GLU C 63 65.053 -0.155 11.486 1.00 0.00 H new ATOM 0 HB2 GLU C 63 64.237 1.145 8.934 1.00 0.00 H new ATOM 0 HB3 GLU C 63 63.113 -0.107 9.425 1.00 0.00 H new ATOM 0 HG2 GLU C 63 62.934 0.935 11.699 1.00 0.00 H new ATOM 0 HG3 GLU C 63 64.073 2.179 11.224 1.00 0.00 H new ATOM 981 N VAL C 64 64.969 -2.045 8.791 1.00 0.00 N ATOM 982 CA VAL C 64 64.852 -3.476 8.388 1.00 0.00 C ATOM 983 C VAL C 64 66.220 -4.018 7.970 1.00 0.00 C ATOM 984 O VAL C 64 66.319 -4.979 7.232 1.00 0.00 O ATOM 985 CB VAL C 64 63.890 -3.476 7.202 1.00 0.00 C ATOM 986 CG1 VAL C 64 62.538 -2.906 7.638 1.00 0.00 C ATOM 987 CG2 VAL C 64 64.469 -2.611 6.080 1.00 0.00 C ATOM 0 H VAL C 64 65.096 -1.387 8.022 1.00 0.00 H new ATOM 0 HA VAL C 64 64.494 -4.107 9.201 1.00 0.00 H new ATOM 0 HB VAL C 64 63.754 -4.497 6.845 1.00 0.00 H new ATOM 0 HG11 VAL C 64 61.853 -2.907 6.791 1.00 0.00 H new ATOM 0 HG12 VAL C 64 62.126 -3.520 8.439 1.00 0.00 H new ATOM 0 HG13 VAL C 64 62.672 -1.885 7.996 1.00 0.00 H new ATOM 0 HG21 VAL C 64 63.784 -2.609 5.232 1.00 0.00 H new ATOM 0 HG22 VAL C 64 64.604 -1.591 6.440 1.00 0.00 H new ATOM 0 HG23 VAL C 64 65.432 -3.016 5.768 1.00 0.00 H new ATOM 997 N ASP C 65 67.277 -3.410 8.435 1.00 0.00 N ATOM 998 CA ASP C 65 68.638 -3.890 8.063 1.00 0.00 C ATOM 999 C ASP C 65 69.057 -5.054 8.966 1.00 0.00 C ATOM 1000 O ASP C 65 69.184 -4.907 10.165 1.00 0.00 O ATOM 1001 CB ASP C 65 69.556 -2.687 8.282 1.00 0.00 C ATOM 1002 CG ASP C 65 70.881 -2.915 7.554 1.00 0.00 C ATOM 1003 OD1 ASP C 65 71.186 -4.060 7.265 1.00 0.00 O ATOM 1004 OD2 ASP C 65 71.571 -1.941 7.300 1.00 0.00 O ATOM 0 H ASP C 65 67.257 -2.601 9.057 1.00 0.00 H new ATOM 0 HA ASP C 65 68.679 -4.255 7.037 1.00 0.00 H new ATOM 0 HB2 ASP C 65 69.078 -1.780 7.913 1.00 0.00 H new ATOM 0 HB3 ASP C 65 69.735 -2.542 9.347 1.00 0.00 H new ATOM 1009 N GLU C 66 69.273 -6.209 8.398 1.00 0.00 N ATOM 1010 CA GLU C 66 69.686 -7.381 9.222 1.00 0.00 C ATOM 1011 C GLU C 66 71.172 -7.680 9.005 1.00 0.00 C ATOM 1012 O GLU C 66 71.684 -8.689 9.448 1.00 0.00 O ATOM 1013 CB GLU C 66 68.826 -8.542 8.719 1.00 0.00 C ATOM 1014 CG GLU C 66 67.782 -8.901 9.777 1.00 0.00 C ATOM 1015 CD GLU C 66 66.756 -7.772 9.885 1.00 0.00 C ATOM 1016 OE1 GLU C 66 66.876 -6.817 9.137 1.00 0.00 O ATOM 1017 OE2 GLU C 66 65.868 -7.882 10.714 1.00 0.00 O ATOM 0 H GLU C 66 69.181 -6.392 7.399 1.00 0.00 H new ATOM 0 HA GLU C 66 69.549 -7.206 10.289 1.00 0.00 H new ATOM 0 HB2 GLU C 66 68.334 -8.266 7.786 1.00 0.00 H new ATOM 0 HB3 GLU C 66 69.454 -9.407 8.504 1.00 0.00 H new ATOM 0 HG2 GLU C 66 67.285 -9.834 9.511 1.00 0.00 H new ATOM 0 HG3 GLU C 66 68.265 -9.061 10.741 1.00 0.00 H new ATOM 1024 N ASP C 67 71.866 -6.809 8.326 1.00 0.00 N ATOM 1025 CA ASP C 67 73.318 -7.040 8.079 1.00 0.00 C ATOM 1026 C ASP C 67 74.112 -5.760 8.350 1.00 0.00 C ATOM 1027 O ASP C 67 75.283 -5.668 8.040 1.00 0.00 O ATOM 1028 CB ASP C 67 73.416 -7.429 6.602 1.00 0.00 C ATOM 1029 CG ASP C 67 72.512 -6.517 5.768 1.00 0.00 C ATOM 1030 OD1 ASP C 67 71.305 -6.627 5.906 1.00 0.00 O ATOM 1031 OD2 ASP C 67 73.042 -5.725 5.008 1.00 0.00 O ATOM 0 H ASP C 67 71.491 -5.947 7.931 1.00 0.00 H new ATOM 0 HA ASP C 67 73.728 -7.812 8.731 1.00 0.00 H new ATOM 0 HB2 ASP C 67 74.448 -7.345 6.261 1.00 0.00 H new ATOM 0 HB3 ASP C 67 73.121 -8.470 6.470 1.00 0.00 H new ATOM 1036 N GLY C 68 73.485 -4.773 8.925 1.00 0.00 N ATOM 1037 CA GLY C 68 74.205 -3.500 9.213 1.00 0.00 C ATOM 1038 C GLY C 68 75.003 -3.078 7.979 1.00 0.00 C ATOM 1039 O GLY C 68 76.180 -2.788 8.058 1.00 0.00 O ATOM 0 H GLY C 68 72.505 -4.792 9.208 1.00 0.00 H new ATOM 0 HA2 GLY C 68 73.493 -2.720 9.484 1.00 0.00 H new ATOM 0 HA3 GLY C 68 74.873 -3.632 10.064 1.00 0.00 H new ATOM 1043 N SER C 69 74.373 -3.042 6.837 1.00 0.00 N ATOM 1044 CA SER C 69 75.097 -2.640 5.597 1.00 0.00 C ATOM 1045 C SER C 69 74.735 -1.202 5.214 1.00 0.00 C ATOM 1046 O SER C 69 75.540 -0.474 4.668 1.00 0.00 O ATOM 1047 CB SER C 69 74.618 -3.617 4.525 1.00 0.00 C ATOM 1048 OG SER C 69 73.218 -3.461 4.339 1.00 0.00 O ATOM 0 H SER C 69 73.388 -3.274 6.708 1.00 0.00 H new ATOM 0 HA SER C 69 76.179 -2.671 5.723 1.00 0.00 H new ATOM 0 HB2 SER C 69 75.144 -3.433 3.588 1.00 0.00 H new ATOM 0 HB3 SER C 69 74.845 -4.641 4.822 1.00 0.00 H new ATOM 0 HG SER C 69 72.787 -4.341 4.344 1.00 0.00 H new ATOM 1054 N GLY C 70 73.530 -0.787 5.496 1.00 0.00 N ATOM 1055 CA GLY C 70 73.120 0.604 5.147 1.00 0.00 C ATOM 1056 C GLY C 70 72.328 0.589 3.837 1.00 0.00 C ATOM 1057 O GLY C 70 72.115 1.613 3.218 1.00 0.00 O ATOM 0 H GLY C 70 72.812 -1.350 5.952 1.00 0.00 H new ATOM 0 HA2 GLY C 70 72.512 1.027 5.947 1.00 0.00 H new ATOM 0 HA3 GLY C 70 74.000 1.239 5.045 1.00 0.00 H new ATOM 1061 N THR C 71 71.890 -0.565 3.412 1.00 0.00 N ATOM 1062 CA THR C 71 71.112 -0.647 2.141 1.00 0.00 C ATOM 1063 C THR C 71 69.880 -1.535 2.332 1.00 0.00 C ATOM 1064 O THR C 71 69.664 -2.096 3.388 1.00 0.00 O ATOM 1065 CB THR C 71 72.072 -1.276 1.131 1.00 0.00 C ATOM 1066 OG1 THR C 71 72.881 -2.240 1.790 1.00 0.00 O ATOM 1067 CG2 THR C 71 72.959 -0.188 0.523 1.00 0.00 C ATOM 0 H THR C 71 72.037 -1.455 3.889 1.00 0.00 H new ATOM 0 HA THR C 71 70.753 0.328 1.812 1.00 0.00 H new ATOM 0 HB THR C 71 71.503 -1.761 0.338 1.00 0.00 H new ATOM 0 HG1 THR C 71 73.497 -2.646 1.145 1.00 0.00 H new ATOM 0 HG21 THR C 71 73.643 -0.637 -0.197 1.00 0.00 H new ATOM 0 HG22 THR C 71 72.335 0.551 0.019 1.00 0.00 H new ATOM 0 HG23 THR C 71 73.531 0.298 1.313 1.00 0.00 H new ATOM 1075 N VAL C 72 69.071 -1.671 1.316 1.00 0.00 N ATOM 1076 CA VAL C 72 67.858 -2.526 1.442 1.00 0.00 C ATOM 1077 C VAL C 72 67.606 -3.290 0.140 1.00 0.00 C ATOM 1078 O VAL C 72 67.972 -2.851 -0.932 1.00 0.00 O ATOM 1079 CB VAL C 72 66.716 -1.552 1.723 1.00 0.00 C ATOM 1080 CG1 VAL C 72 65.386 -2.309 1.730 1.00 0.00 C ATOM 1081 CG2 VAL C 72 66.938 -0.901 3.086 1.00 0.00 C ATOM 0 H VAL C 72 69.198 -1.228 0.406 1.00 0.00 H new ATOM 0 HA VAL C 72 67.961 -3.273 2.229 1.00 0.00 H new ATOM 0 HB VAL C 72 66.690 -0.785 0.949 1.00 0.00 H new ATOM 0 HG11 VAL C 72 64.572 -1.612 1.931 1.00 0.00 H new ATOM 0 HG12 VAL C 72 65.230 -2.779 0.759 1.00 0.00 H new ATOM 0 HG13 VAL C 72 65.407 -3.075 2.505 1.00 0.00 H new ATOM 0 HG21 VAL C 72 66.126 -0.204 3.293 1.00 0.00 H new ATOM 0 HG22 VAL C 72 66.961 -1.671 3.857 1.00 0.00 H new ATOM 0 HG23 VAL C 72 67.886 -0.363 3.082 1.00 0.00 H new ATOM 1091 N ASP C 73 66.983 -4.431 0.230 1.00 0.00 N ATOM 1092 CA ASP C 73 66.704 -5.232 -0.998 1.00 0.00 C ATOM 1093 C ASP C 73 65.229 -5.636 -1.040 1.00 0.00 C ATOM 1094 O ASP C 73 64.462 -5.312 -0.156 1.00 0.00 O ATOM 1095 CB ASP C 73 67.595 -6.469 -0.875 1.00 0.00 C ATOM 1096 CG ASP C 73 69.041 -6.096 -1.203 1.00 0.00 C ATOM 1097 OD1 ASP C 73 69.382 -6.096 -2.375 1.00 0.00 O ATOM 1098 OD2 ASP C 73 69.784 -5.816 -0.277 1.00 0.00 O ATOM 0 H ASP C 73 66.654 -4.846 1.102 1.00 0.00 H new ATOM 0 HA ASP C 73 66.907 -4.673 -1.911 1.00 0.00 H new ATOM 0 HB2 ASP C 73 67.534 -6.874 0.135 1.00 0.00 H new ATOM 0 HB3 ASP C 73 67.247 -7.249 -1.553 1.00 0.00 H new ATOM 1103 N PHE C 74 64.827 -6.346 -2.059 1.00 0.00 N ATOM 1104 CA PHE C 74 63.402 -6.774 -2.152 1.00 0.00 C ATOM 1105 C PHE C 74 62.989 -7.506 -0.873 1.00 0.00 C ATOM 1106 O PHE C 74 61.819 -7.663 -0.585 1.00 0.00 O ATOM 1107 CB PHE C 74 63.350 -7.722 -3.351 1.00 0.00 C ATOM 1108 CG PHE C 74 62.340 -7.217 -4.355 1.00 0.00 C ATOM 1109 CD1 PHE C 74 61.180 -6.567 -3.916 1.00 0.00 C ATOM 1110 CD2 PHE C 74 62.564 -7.401 -5.725 1.00 0.00 C ATOM 1111 CE1 PHE C 74 60.245 -6.100 -4.847 1.00 0.00 C ATOM 1112 CE2 PHE C 74 61.628 -6.936 -6.655 1.00 0.00 C ATOM 1113 CZ PHE C 74 60.469 -6.285 -6.217 1.00 0.00 C ATOM 0 H PHE C 74 65.423 -6.648 -2.830 1.00 0.00 H new ATOM 0 HA PHE C 74 62.723 -5.930 -2.271 1.00 0.00 H new ATOM 0 HB2 PHE C 74 64.334 -7.792 -3.814 1.00 0.00 H new ATOM 0 HB3 PHE C 74 63.080 -8.726 -3.022 1.00 0.00 H new ATOM 0 HD1 PHE C 74 61.007 -6.426 -2.859 1.00 0.00 H new ATOM 0 HD2 PHE C 74 63.459 -7.902 -6.064 1.00 0.00 H new ATOM 0 HE1 PHE C 74 59.351 -5.597 -4.509 1.00 0.00 H new ATOM 0 HE2 PHE C 74 61.800 -7.079 -7.712 1.00 0.00 H new ATOM 0 HZ PHE C 74 59.747 -5.925 -6.936 1.00 0.00 H new ATOM 1123 N ASP C 75 63.942 -7.959 -0.103 1.00 0.00 N ATOM 1124 CA ASP C 75 63.603 -8.683 1.157 1.00 0.00 C ATOM 1125 C ASP C 75 63.431 -7.694 2.313 1.00 0.00 C ATOM 1126 O ASP C 75 62.398 -7.643 2.949 1.00 0.00 O ATOM 1127 CB ASP C 75 64.795 -9.606 1.414 1.00 0.00 C ATOM 1128 CG ASP C 75 64.662 -10.863 0.552 1.00 0.00 C ATOM 1129 OD1 ASP C 75 64.688 -10.731 -0.660 1.00 0.00 O ATOM 1130 OD2 ASP C 75 64.536 -11.935 1.119 1.00 0.00 O ATOM 0 H ASP C 75 64.939 -7.859 -0.291 1.00 0.00 H new ATOM 0 HA ASP C 75 62.667 -9.235 1.075 1.00 0.00 H new ATOM 0 HB2 ASP C 75 65.726 -9.089 1.181 1.00 0.00 H new ATOM 0 HB3 ASP C 75 64.837 -9.878 2.469 1.00 0.00 H new ATOM 1135 N GLU C 76 64.436 -6.909 2.592 1.00 0.00 N ATOM 1136 CA GLU C 76 64.325 -5.927 3.710 1.00 0.00 C ATOM 1137 C GLU C 76 63.262 -4.873 3.386 1.00 0.00 C ATOM 1138 O GLU C 76 62.581 -4.377 4.260 1.00 0.00 O ATOM 1139 CB GLU C 76 65.710 -5.285 3.811 1.00 0.00 C ATOM 1140 CG GLU C 76 66.729 -6.340 4.249 1.00 0.00 C ATOM 1141 CD GLU C 76 68.140 -5.752 4.172 1.00 0.00 C ATOM 1142 OE1 GLU C 76 68.448 -5.132 3.168 1.00 0.00 O ATOM 1143 OE2 GLU C 76 68.888 -5.933 5.119 1.00 0.00 O ATOM 0 H GLU C 76 65.327 -6.904 2.096 1.00 0.00 H new ATOM 0 HA GLU C 76 64.026 -6.398 4.647 1.00 0.00 H new ATOM 0 HB2 GLU C 76 65.998 -4.863 2.848 1.00 0.00 H new ATOM 0 HB3 GLU C 76 65.691 -4.463 4.527 1.00 0.00 H new ATOM 0 HG2 GLU C 76 66.515 -6.667 5.267 1.00 0.00 H new ATOM 0 HG3 GLU C 76 66.655 -7.220 3.610 1.00 0.00 H new ATOM 1150 N PHE C 77 63.113 -4.530 2.135 1.00 0.00 N ATOM 1151 CA PHE C 77 62.091 -3.511 1.760 1.00 0.00 C ATOM 1152 C PHE C 77 60.683 -4.063 2.001 1.00 0.00 C ATOM 1153 O PHE C 77 59.811 -3.375 2.493 1.00 0.00 O ATOM 1154 CB PHE C 77 62.318 -3.252 0.270 1.00 0.00 C ATOM 1155 CG PHE C 77 61.270 -2.293 -0.242 1.00 0.00 C ATOM 1156 CD1 PHE C 77 60.695 -1.355 0.625 1.00 0.00 C ATOM 1157 CD2 PHE C 77 60.872 -2.341 -1.584 1.00 0.00 C ATOM 1158 CE1 PHE C 77 59.724 -0.465 0.151 1.00 0.00 C ATOM 1159 CE2 PHE C 77 59.900 -1.451 -2.057 1.00 0.00 C ATOM 1160 CZ PHE C 77 59.325 -0.514 -1.190 1.00 0.00 C ATOM 0 H PHE C 77 63.653 -4.910 1.358 1.00 0.00 H new ATOM 0 HA PHE C 77 62.180 -2.599 2.350 1.00 0.00 H new ATOM 0 HB2 PHE C 77 63.314 -2.838 0.110 1.00 0.00 H new ATOM 0 HB3 PHE C 77 62.270 -4.189 -0.284 1.00 0.00 H new ATOM 0 HD1 PHE C 77 61.001 -1.318 1.660 1.00 0.00 H new ATOM 0 HD2 PHE C 77 61.314 -3.064 -2.253 1.00 0.00 H new ATOM 0 HE1 PHE C 77 59.283 0.259 0.820 1.00 0.00 H new ATOM 0 HE2 PHE C 77 59.593 -1.487 -3.092 1.00 0.00 H new ATOM 0 HZ PHE C 77 58.574 0.171 -1.556 1.00 0.00 H new ATOM 1170 N LEU C 78 60.455 -5.300 1.655 1.00 0.00 N ATOM 1171 CA LEU C 78 59.105 -5.898 1.863 1.00 0.00 C ATOM 1172 C LEU C 78 58.667 -5.733 3.321 1.00 0.00 C ATOM 1173 O LEU C 78 57.495 -5.789 3.637 1.00 0.00 O ATOM 1174 CB LEU C 78 59.272 -7.377 1.520 1.00 0.00 C ATOM 1175 CG LEU C 78 58.742 -7.637 0.109 1.00 0.00 C ATOM 1176 CD1 LEU C 78 59.379 -8.911 -0.448 1.00 0.00 C ATOM 1177 CD2 LEU C 78 57.222 -7.810 0.162 1.00 0.00 C ATOM 0 H LEU C 78 61.146 -5.923 1.237 1.00 0.00 H new ATOM 0 HA LEU C 78 58.344 -5.418 1.248 1.00 0.00 H new ATOM 0 HB2 LEU C 78 60.323 -7.659 1.583 1.00 0.00 H new ATOM 0 HB3 LEU C 78 58.733 -7.992 2.241 1.00 0.00 H new ATOM 0 HG LEU C 78 58.992 -6.794 -0.535 1.00 0.00 H new ATOM 0 HD11 LEU C 78 59.002 -9.097 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU C 78 60.462 -8.791 -0.483 1.00 0.00 H new ATOM 0 HD13 LEU C 78 59.128 -9.754 0.195 1.00 0.00 H new ATOM 0 HD21 LEU C 78 56.842 -7.995 -0.843 1.00 0.00 H new ATOM 0 HD22 LEU C 78 56.974 -8.654 0.805 1.00 0.00 H new ATOM 0 HD23 LEU C 78 56.766 -6.904 0.561 1.00 0.00 H new ATOM 1189 N VAL C 79 59.599 -5.535 4.212 1.00 0.00 N ATOM 1190 CA VAL C 79 59.233 -5.373 5.649 1.00 0.00 C ATOM 1191 C VAL C 79 58.920 -3.905 5.954 1.00 0.00 C ATOM 1192 O VAL C 79 58.014 -3.596 6.702 1.00 0.00 O ATOM 1193 CB VAL C 79 60.467 -5.831 6.426 1.00 0.00 C ATOM 1194 CG1 VAL C 79 60.164 -5.813 7.925 1.00 0.00 C ATOM 1195 CG2 VAL C 79 60.837 -7.254 5.999 1.00 0.00 C ATOM 0 H VAL C 79 60.597 -5.478 4.009 1.00 0.00 H new ATOM 0 HA VAL C 79 58.346 -5.948 5.916 1.00 0.00 H new ATOM 0 HB VAL C 79 61.298 -5.158 6.216 1.00 0.00 H new ATOM 0 HG11 VAL C 79 61.045 -6.140 8.478 1.00 0.00 H new ATOM 0 HG12 VAL C 79 59.899 -4.801 8.230 1.00 0.00 H new ATOM 0 HG13 VAL C 79 59.333 -6.486 8.136 1.00 0.00 H new ATOM 0 HG21 VAL C 79 61.717 -7.583 6.552 1.00 0.00 H new ATOM 0 HG22 VAL C 79 60.004 -7.925 6.210 1.00 0.00 H new ATOM 0 HG23 VAL C 79 61.053 -7.269 4.931 1.00 0.00 H new ATOM 1205 N MET C 80 59.665 -2.998 5.384 1.00 0.00 N ATOM 1206 CA MET C 80 59.411 -1.551 5.647 1.00 0.00 C ATOM 1207 C MET C 80 58.021 -1.150 5.142 1.00 0.00 C ATOM 1208 O MET C 80 57.492 -0.121 5.512 1.00 0.00 O ATOM 1209 CB MET C 80 60.496 -0.810 4.866 1.00 0.00 C ATOM 1210 CG MET C 80 60.694 0.584 5.468 1.00 0.00 C ATOM 1211 SD MET C 80 60.032 1.829 4.335 1.00 0.00 S ATOM 1212 CE MET C 80 61.009 1.361 2.885 1.00 0.00 C ATOM 0 H MET C 80 60.438 -3.195 4.748 1.00 0.00 H new ATOM 0 HA MET C 80 59.439 -1.318 6.711 1.00 0.00 H new ATOM 0 HB2 MET C 80 61.431 -1.369 4.901 1.00 0.00 H new ATOM 0 HB3 MET C 80 60.213 -0.728 3.817 1.00 0.00 H new ATOM 0 HG2 MET C 80 60.191 0.650 6.433 1.00 0.00 H new ATOM 0 HG3 MET C 80 61.753 0.767 5.648 1.00 0.00 H new ATOM 0 HE1 MET C 80 61.125 2.225 2.230 1.00 0.00 H new ATOM 0 HE2 MET C 80 61.991 1.013 3.205 1.00 0.00 H new ATOM 0 HE3 MET C 80 60.500 0.563 2.345 1.00 0.00 H new ATOM 1222 N MET C 81 57.425 -1.952 4.303 1.00 0.00 N ATOM 1223 CA MET C 81 56.071 -1.609 3.780 1.00 0.00 C ATOM 1224 C MET C 81 54.986 -2.222 4.668 1.00 0.00 C ATOM 1225 O MET C 81 53.810 -1.966 4.493 1.00 0.00 O ATOM 1226 CB MET C 81 56.020 -2.217 2.377 1.00 0.00 C ATOM 1227 CG MET C 81 56.696 -1.270 1.384 1.00 0.00 C ATOM 1228 SD MET C 81 55.446 -0.541 0.298 1.00 0.00 S ATOM 1229 CE MET C 81 55.921 1.190 0.537 1.00 0.00 C ATOM 0 H MET C 81 57.816 -2.828 3.957 1.00 0.00 H new ATOM 0 HA MET C 81 55.898 -0.533 3.765 1.00 0.00 H new ATOM 0 HB2 MET C 81 56.521 -3.185 2.371 1.00 0.00 H new ATOM 0 HB3 MET C 81 54.985 -2.391 2.082 1.00 0.00 H new ATOM 0 HG2 MET C 81 57.230 -0.485 1.920 1.00 0.00 H new ATOM 0 HG3 MET C 81 57.435 -1.812 0.793 1.00 0.00 H new ATOM 0 HE1 MET C 81 55.267 1.832 -0.054 1.00 0.00 H new ATOM 0 HE2 MET C 81 55.829 1.450 1.591 1.00 0.00 H new ATOM 0 HE3 MET C 81 56.953 1.331 0.217 1.00 0.00 H new ATOM 1239 N VAL C 82 55.365 -3.028 5.621 1.00 0.00 N ATOM 1240 CA VAL C 82 54.349 -3.653 6.516 1.00 0.00 C ATOM 1241 C VAL C 82 54.207 -2.840 7.805 1.00 0.00 C ATOM 1242 O VAL C 82 53.115 -2.573 8.265 1.00 0.00 O ATOM 1243 CB VAL C 82 54.890 -5.050 6.821 1.00 0.00 C ATOM 1244 CG1 VAL C 82 53.805 -5.876 7.513 1.00 0.00 C ATOM 1245 CG2 VAL C 82 55.297 -5.739 5.516 1.00 0.00 C ATOM 0 H VAL C 82 56.333 -3.281 5.819 1.00 0.00 H new ATOM 0 HA VAL C 82 53.363 -3.691 6.054 1.00 0.00 H new ATOM 0 HB VAL C 82 55.759 -4.967 7.474 1.00 0.00 H new ATOM 0 HG11 VAL C 82 54.190 -6.872 7.731 1.00 0.00 H new ATOM 0 HG12 VAL C 82 53.514 -5.388 8.443 1.00 0.00 H new ATOM 0 HG13 VAL C 82 52.937 -5.957 6.859 1.00 0.00 H new ATOM 0 HG21 VAL C 82 55.682 -6.735 5.735 1.00 0.00 H new ATOM 0 HG22 VAL C 82 54.429 -5.822 4.862 1.00 0.00 H new ATOM 0 HG23 VAL C 82 56.070 -5.152 5.020 1.00 0.00 H new ATOM 1255 N ARG C 83 55.305 -2.447 8.391 1.00 0.00 N ATOM 1256 CA ARG C 83 55.234 -1.654 9.652 1.00 0.00 C ATOM 1257 C ARG C 83 54.357 -0.415 9.452 1.00 0.00 C ATOM 1258 O ARG C 83 53.639 -0.002 10.341 1.00 0.00 O ATOM 1259 CB ARG C 83 56.679 -1.246 9.944 1.00 0.00 C ATOM 1260 CG ARG C 83 57.459 -2.464 10.444 1.00 0.00 C ATOM 1261 CD ARG C 83 58.811 -2.011 10.998 1.00 0.00 C ATOM 1262 NE ARG C 83 58.534 -1.612 12.405 1.00 0.00 N ATOM 1263 CZ ARG C 83 59.302 -0.741 13.003 1.00 0.00 C ATOM 1264 NH1 ARG C 83 60.394 -0.323 12.423 1.00 0.00 N ATOM 1265 NH2 ARG C 83 58.976 -0.286 14.181 1.00 0.00 N ATOM 0 H ARG C 83 56.247 -2.640 8.052 1.00 0.00 H new ATOM 0 HA ARG C 83 54.796 -2.222 10.472 1.00 0.00 H new ATOM 0 HB2 ARG C 83 57.145 -0.846 9.043 1.00 0.00 H new ATOM 0 HB3 ARG C 83 56.701 -0.454 10.692 1.00 0.00 H new ATOM 0 HG2 ARG C 83 56.891 -2.980 11.218 1.00 0.00 H new ATOM 0 HG3 ARG C 83 57.607 -3.174 9.630 1.00 0.00 H new ATOM 0 HD2 ARG C 83 59.546 -2.815 10.953 1.00 0.00 H new ATOM 0 HD3 ARG C 83 59.214 -1.177 10.423 1.00 0.00 H new ATOM 0 HE ARG C 83 57.743 -2.020 12.903 1.00 0.00 H new ATOM 0 HH11 ARG C 83 60.649 -0.677 11.501 1.00 0.00 H new ATOM 0 HH12 ARG C 83 60.992 0.357 12.892 1.00 0.00 H new ATOM 0 HH21 ARG C 83 58.122 -0.610 14.635 1.00 0.00 H new ATOM 0 HH22 ARG C 83 59.575 0.394 14.649 1.00 0.00 H new ATOM 1279 N CYS C 84 54.407 0.181 8.292 1.00 0.00 N ATOM 1280 CA CYS C 84 53.574 1.392 8.039 1.00 0.00 C ATOM 1281 C CYS C 84 52.092 1.012 7.990 1.00 0.00 C ATOM 1282 O CYS C 84 51.232 1.773 8.385 1.00 0.00 O ATOM 1283 CB CYS C 84 54.038 1.916 6.681 1.00 0.00 C ATOM 1284 SG CYS C 84 53.519 0.767 5.382 1.00 0.00 S ATOM 0 H CYS C 84 54.988 -0.118 7.509 1.00 0.00 H new ATOM 0 HA CYS C 84 53.685 2.141 8.823 1.00 0.00 H new ATOM 0 HB2 CYS C 84 53.616 2.904 6.497 1.00 0.00 H new ATOM 0 HB3 CYS C 84 55.122 2.026 6.673 1.00 0.00 H new ATOM 0 HG CYS C 84 53.663 -0.455 5.801 1.00 0.00 H new ATOM 1290 N MET C 85 51.788 -0.160 7.505 1.00 0.00 N ATOM 1291 CA MET C 85 50.364 -0.589 7.427 1.00 0.00 C ATOM 1292 C MET C 85 49.830 -0.916 8.825 1.00 0.00 C ATOM 1293 O MET C 85 48.691 -0.638 9.144 1.00 0.00 O ATOM 1294 CB MET C 85 50.377 -1.840 6.549 1.00 0.00 C ATOM 1295 CG MET C 85 50.475 -1.428 5.081 1.00 0.00 C ATOM 1296 SD MET C 85 49.412 -2.497 4.081 1.00 0.00 S ATOM 1297 CE MET C 85 50.025 -4.077 4.714 1.00 0.00 C ATOM 0 H MET C 85 52.465 -0.840 7.159 1.00 0.00 H new ATOM 0 HA MET C 85 49.719 0.189 7.018 1.00 0.00 H new ATOM 0 HB2 MET C 85 51.220 -2.477 6.817 1.00 0.00 H new ATOM 0 HB3 MET C 85 49.471 -2.424 6.715 1.00 0.00 H new ATOM 0 HG2 MET C 85 50.175 -0.387 4.964 1.00 0.00 H new ATOM 0 HG3 MET C 85 51.508 -1.502 4.740 1.00 0.00 H new ATOM 0 HE1 MET C 85 49.924 -4.841 3.943 1.00 0.00 H new ATOM 0 HE2 MET C 85 51.075 -3.976 4.990 1.00 0.00 H new ATOM 0 HE3 MET C 85 49.446 -4.367 5.591 1.00 0.00 H new ATOM 1411 N SER I 3 54.575 5.971 4.123 1.00 0.00 N ATOM 1412 CA SER I 3 53.627 4.901 4.545 1.00 0.00 C ATOM 1413 C SER I 3 53.169 4.092 3.328 1.00 0.00 C ATOM 1414 O SER I 3 53.722 4.204 2.252 1.00 0.00 O ATOM 1415 CB SER I 3 52.442 5.637 5.172 1.00 0.00 C ATOM 1416 OG SER I 3 52.777 7.006 5.358 1.00 0.00 O ATOM 0 HA SER I 3 54.085 4.200 5.243 1.00 0.00 H new ATOM 0 HB2 SER I 3 51.566 5.550 4.530 1.00 0.00 H new ATOM 0 HB3 SER I 3 52.183 5.182 6.128 1.00 0.00 H new ATOM 0 HG SER I 3 53.316 7.317 4.601 1.00 0.00 H new ATOM 1422 N ALA I 4 52.163 3.277 3.492 1.00 0.00 N ATOM 1423 CA ALA I 4 51.670 2.462 2.346 1.00 0.00 C ATOM 1424 C ALA I 4 50.812 3.323 1.415 1.00 0.00 C ATOM 1425 O ALA I 4 51.049 3.394 0.226 1.00 0.00 O ATOM 1426 CB ALA I 4 50.829 1.355 2.981 1.00 0.00 C ATOM 0 H ALA I 4 51.661 3.140 4.370 1.00 0.00 H new ATOM 0 HA ALA I 4 52.485 2.060 1.744 1.00 0.00 H new ATOM 0 HB1 ALA I 4 50.428 0.709 2.200 1.00 0.00 H new ATOM 0 HB2 ALA I 4 51.451 0.766 3.655 1.00 0.00 H new ATOM 0 HB3 ALA I 4 50.007 1.799 3.542 1.00 0.00 H new ATOM 1432 N ASP I 5 49.814 3.974 1.947 1.00 0.00 N ATOM 1433 CA ASP I 5 48.941 4.828 1.089 1.00 0.00 C ATOM 1434 C ASP I 5 49.716 6.054 0.599 1.00 0.00 C ATOM 1435 O ASP I 5 49.523 6.523 -0.506 1.00 0.00 O ATOM 1436 CB ASP I 5 47.787 5.252 1.999 1.00 0.00 C ATOM 1437 CG ASP I 5 46.468 4.726 1.429 1.00 0.00 C ATOM 1438 OD1 ASP I 5 46.520 3.868 0.564 1.00 0.00 O ATOM 1439 OD2 ASP I 5 45.429 5.191 1.869 1.00 0.00 O ATOM 0 H ASP I 5 49.565 3.952 2.936 1.00 0.00 H new ATOM 0 HA ASP I 5 48.590 4.300 0.202 1.00 0.00 H new ATOM 0 HB2 ASP I 5 47.941 4.863 3.005 1.00 0.00 H new ATOM 0 HB3 ASP I 5 47.753 6.339 2.079 1.00 0.00 H new ATOM 1444 N ALA I 6 50.591 6.579 1.413 1.00 0.00 N ATOM 1445 CA ALA I 6 51.376 7.774 0.994 1.00 0.00 C ATOM 1446 C ALA I 6 52.206 7.457 -0.254 1.00 0.00 C ATOM 1447 O ALA I 6 52.477 8.319 -1.065 1.00 0.00 O ATOM 1448 CB ALA I 6 52.285 8.087 2.183 1.00 0.00 C ATOM 0 H ALA I 6 50.796 6.232 2.350 1.00 0.00 H new ATOM 0 HA ALA I 6 50.736 8.618 0.738 1.00 0.00 H new ATOM 0 HB1 ALA I 6 52.898 8.958 1.953 1.00 0.00 H new ATOM 0 HB2 ALA I 6 51.675 8.294 3.062 1.00 0.00 H new ATOM 0 HB3 ALA I 6 52.930 7.232 2.383 1.00 0.00 H new ATOM 1454 N MET I 7 52.613 6.227 -0.413 1.00 0.00 N ATOM 1455 CA MET I 7 53.425 5.863 -1.611 1.00 0.00 C ATOM 1456 C MET I 7 52.509 5.556 -2.799 1.00 0.00 C ATOM 1457 O MET I 7 52.748 5.991 -3.908 1.00 0.00 O ATOM 1458 CB MET I 7 54.204 4.614 -1.199 1.00 0.00 C ATOM 1459 CG MET I 7 55.651 4.995 -0.882 1.00 0.00 C ATOM 1460 SD MET I 7 56.777 3.956 -1.848 1.00 0.00 S ATOM 1461 CE MET I 7 56.334 4.593 -3.484 1.00 0.00 C ATOM 0 H MET I 7 52.420 5.460 0.232 1.00 0.00 H new ATOM 0 HA MET I 7 54.087 6.672 -1.921 1.00 0.00 H new ATOM 0 HB2 MET I 7 53.739 4.154 -0.327 1.00 0.00 H new ATOM 0 HB3 MET I 7 54.179 3.876 -2.001 1.00 0.00 H new ATOM 0 HG2 MET I 7 55.820 6.046 -1.114 1.00 0.00 H new ATOM 0 HG3 MET I 7 55.846 4.868 0.183 1.00 0.00 H new ATOM 0 HE1 MET I 7 56.934 4.093 -4.244 1.00 0.00 H new ATOM 0 HE2 MET I 7 55.277 4.405 -3.674 1.00 0.00 H new ATOM 0 HE3 MET I 7 56.523 5.666 -3.520 1.00 0.00 H new ATOM 1471 N MET I 8 51.460 4.810 -2.579 1.00 0.00 N ATOM 1472 CA MET I 8 50.533 4.478 -3.698 1.00 0.00 C ATOM 1473 C MET I 8 49.817 5.740 -4.184 1.00 0.00 C ATOM 1474 O MET I 8 49.564 5.910 -5.361 1.00 0.00 O ATOM 1475 CB MET I 8 49.525 3.492 -3.106 1.00 0.00 C ATOM 1476 CG MET I 8 50.263 2.267 -2.561 1.00 0.00 C ATOM 1477 SD MET I 8 51.364 1.611 -3.837 1.00 0.00 S ATOM 1478 CE MET I 8 52.853 2.506 -3.330 1.00 0.00 C ATOM 0 H MET I 8 51.205 4.416 -1.673 1.00 0.00 H new ATOM 0 HA MET I 8 51.060 4.058 -4.554 1.00 0.00 H new ATOM 0 HB2 MET I 8 48.958 3.972 -2.308 1.00 0.00 H new ATOM 0 HB3 MET I 8 48.808 3.188 -3.869 1.00 0.00 H new ATOM 0 HG2 MET I 8 50.837 2.539 -1.675 1.00 0.00 H new ATOM 0 HG3 MET I 8 49.547 1.504 -2.255 1.00 0.00 H new ATOM 0 HE1 MET I 8 53.721 1.855 -3.433 1.00 0.00 H new ATOM 0 HE2 MET I 8 52.981 3.385 -3.961 1.00 0.00 H new ATOM 0 HE3 MET I 8 52.754 2.817 -2.290 1.00 0.00 H new ATOM 1488 N GLN I 9 49.484 6.624 -3.285 1.00 0.00 N ATOM 1489 CA GLN I 9 48.781 7.874 -3.692 1.00 0.00 C ATOM 1490 C GLN I 9 49.754 8.832 -4.382 1.00 0.00 C ATOM 1491 O GLN I 9 49.453 9.402 -5.412 1.00 0.00 O ATOM 1492 CB GLN I 9 48.268 8.477 -2.384 1.00 0.00 C ATOM 1493 CG GLN I 9 47.278 9.602 -2.691 1.00 0.00 C ATOM 1494 CD GLN I 9 47.676 10.858 -1.913 1.00 0.00 C ATOM 1495 OE1 GLN I 9 46.842 11.507 -1.316 1.00 0.00 O ATOM 1496 NE2 GLN I 9 48.928 11.229 -1.896 1.00 0.00 N ATOM 0 H GLN I 9 49.668 6.535 -2.286 1.00 0.00 H new ATOM 0 HA GLN I 9 47.974 7.684 -4.400 1.00 0.00 H new ATOM 0 HB2 GLN I 9 47.784 7.708 -1.782 1.00 0.00 H new ATOM 0 HB3 GLN I 9 49.102 8.863 -1.798 1.00 0.00 H new ATOM 0 HG2 GLN I 9 47.269 9.811 -3.761 1.00 0.00 H new ATOM 0 HG3 GLN I 9 46.268 9.297 -2.418 1.00 0.00 H new ATOM 0 HE21 GLN I 9 49.628 10.683 -2.398 1.00 0.00 H new ATOM 0 HE22 GLN I 9 49.205 12.065 -1.381 1.00 0.00 H new ATOM 1505 N ALA I 10 50.919 9.016 -3.824 1.00 0.00 N ATOM 1506 CA ALA I 10 51.908 9.941 -4.449 1.00 0.00 C ATOM 1507 C ALA I 10 52.718 9.212 -5.524 1.00 0.00 C ATOM 1508 O ALA I 10 53.079 9.781 -6.534 1.00 0.00 O ATOM 1509 CB ALA I 10 52.817 10.381 -3.301 1.00 0.00 C ATOM 0 H ALA I 10 51.229 8.566 -2.963 1.00 0.00 H new ATOM 0 HA ALA I 10 51.426 10.787 -4.938 1.00 0.00 H new ATOM 0 HB1 ALA I 10 53.575 11.066 -3.680 1.00 0.00 H new ATOM 0 HB2 ALA I 10 52.222 10.883 -2.538 1.00 0.00 H new ATOM 0 HB3 ALA I 10 53.302 9.507 -2.866 1.00 0.00 H new ATOM 1515 N LEU I 11 53.013 7.959 -5.310 1.00 0.00 N ATOM 1516 CA LEU I 11 53.809 7.201 -6.317 1.00 0.00 C ATOM 1517 C LEU I 11 53.061 5.937 -6.752 1.00 0.00 C ATOM 1518 O LEU I 11 52.040 5.585 -6.194 1.00 0.00 O ATOM 1519 CB LEU I 11 55.102 6.835 -5.595 1.00 0.00 C ATOM 1520 CG LEU I 11 56.286 7.523 -6.275 1.00 0.00 C ATOM 1521 CD1 LEU I 11 57.320 7.920 -5.220 1.00 0.00 C ATOM 1522 CD2 LEU I 11 56.925 6.557 -7.273 1.00 0.00 C ATOM 0 H LEU I 11 52.738 7.428 -4.484 1.00 0.00 H new ATOM 0 HA LEU I 11 53.992 7.783 -7.221 1.00 0.00 H new ATOM 0 HB2 LEU I 11 55.044 7.139 -4.550 1.00 0.00 H new ATOM 0 HB3 LEU I 11 55.242 5.754 -5.606 1.00 0.00 H new ATOM 0 HG LEU I 11 55.939 8.415 -6.797 1.00 0.00 H new ATOM 0 HD11 LEU I 11 58.164 8.411 -5.704 1.00 0.00 H new ATOM 0 HD12 LEU I 11 56.865 8.604 -4.504 1.00 0.00 H new ATOM 0 HD13 LEU I 11 57.669 7.028 -4.699 1.00 0.00 H new ATOM 0 HD21 LEU I 11 57.770 7.044 -7.760 1.00 0.00 H new ATOM 0 HD22 LEU I 11 57.272 5.668 -6.747 1.00 0.00 H new ATOM 0 HD23 LEU I 11 56.189 6.270 -8.024 1.00 0.00 H new ATOM 1534 N LEU I 12 53.565 5.255 -7.747 1.00 0.00 N ATOM 1535 CA LEU I 12 52.891 4.012 -8.229 1.00 0.00 C ATOM 1536 C LEU I 12 51.371 4.201 -8.243 1.00 0.00 C ATOM 1537 O LEU I 12 50.624 3.332 -7.841 1.00 0.00 O ATOM 1538 CB LEU I 12 53.286 2.920 -7.229 1.00 0.00 C ATOM 1539 CG LEU I 12 54.801 2.652 -7.285 1.00 0.00 C ATOM 1540 CD1 LEU I 12 55.327 2.824 -8.714 1.00 0.00 C ATOM 1541 CD2 LEU I 12 55.524 3.631 -6.358 1.00 0.00 C ATOM 0 H LEU I 12 54.417 5.506 -8.248 1.00 0.00 H new ATOM 0 HA LEU I 12 53.189 3.756 -9.246 1.00 0.00 H new ATOM 0 HB2 LEU I 12 53.002 3.223 -6.221 1.00 0.00 H new ATOM 0 HB3 LEU I 12 52.741 2.002 -7.451 1.00 0.00 H new ATOM 0 HG LEU I 12 54.987 1.627 -6.964 1.00 0.00 H new ATOM 0 HD11 LEU I 12 56.400 2.630 -8.733 1.00 0.00 H new ATOM 0 HD12 LEU I 12 54.820 2.122 -9.375 1.00 0.00 H new ATOM 0 HD13 LEU I 12 55.136 3.843 -9.052 1.00 0.00 H new ATOM 0 HD21 LEU I 12 56.597 3.443 -6.396 1.00 0.00 H new ATOM 0 HD22 LEU I 12 55.323 4.653 -6.680 1.00 0.00 H new ATOM 0 HD23 LEU I 12 55.168 3.496 -5.337 1.00 0.00 H new