USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET CE :methyl -177:sc= -0.454 (180deg=-0.485) USER MOD Set 1.2: A 15 MET CE :methyl -178:sc= 0 (180deg=-0.00364) USER MOD Single : A 1 MET N :NH3+ 180:sc= 1.06 (180deg=1.06) USER MOD Single : A 7 ASN : amide:sc= 1.02 K(o=1,f=-9.6!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 164:sc= 1.26 (180deg=1.19) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -31:sc= 0.282 USER MOD Single : A 17 TYR OH : rot 110:sc= 0.181 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 1.8 K(o=1.8,f=0) USER MOD Single : A 37 SER OG : rot -58:sc= 1.27 USER MOD Single : A 45 MET CE :methyl -147:sc= 0 (180deg=-0.24) USER MOD Single : A 49 HIS : no HD1:sc=-0.00657 X(o=-0.0066,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -1.13! K(o=-1.1!,f=-0.02) USER MOD Single : A 69 LYS NZ :NH3+ 178:sc= 1.12 (180deg=1.11) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.833 USER MOD Single : A 77 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.718 0.611 -3.267 1.00 0.00 N ATOM 2 CA MET A 1 5.116 -0.430 -4.158 1.00 0.00 C ATOM 3 C MET A 1 3.963 0.147 -5.007 1.00 0.00 C ATOM 4 O MET A 1 3.641 1.330 -4.898 1.00 0.00 O ATOM 5 CB MET A 1 4.728 -1.720 -3.378 1.00 0.00 C ATOM 6 CG MET A 1 3.531 -1.606 -2.419 1.00 0.00 C ATOM 7 SD MET A 1 3.396 -2.947 -1.207 1.00 0.00 S ATOM 8 CE MET A 1 3.197 -4.349 -2.329 1.00 0.00 C ATOM 0 H1 MET A 1 6.489 0.189 -2.711 1.00 0.00 H new ATOM 0 H2 MET A 1 6.094 1.388 -3.846 1.00 0.00 H new ATOM 0 H3 MET A 1 4.990 0.980 -2.623 1.00 0.00 H new ATOM 0 HA MET A 1 5.885 -0.741 -4.865 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.512 -2.505 -4.103 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.595 -2.046 -2.804 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.601 -0.658 -1.885 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.614 -1.574 -3.007 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.045 -5.260 -1.750 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.334 -4.180 -2.973 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.092 -4.454 -2.942 1.00 0.00 H new ATOM 20 N GLU A 2 3.344 -0.672 -5.864 1.00 0.00 N ATOM 21 CA GLU A 2 2.383 -0.260 -6.889 1.00 0.00 C ATOM 22 C GLU A 2 1.157 -1.163 -6.741 1.00 0.00 C ATOM 23 O GLU A 2 1.339 -2.372 -6.660 1.00 0.00 O ATOM 24 CB GLU A 2 3.085 -0.446 -8.253 1.00 0.00 C ATOM 25 CG GLU A 2 3.613 0.874 -8.823 1.00 0.00 C ATOM 26 CD GLU A 2 2.478 1.781 -9.335 1.00 0.00 C ATOM 27 OE1 GLU A 2 2.101 1.674 -10.527 1.00 0.00 O ATOM 28 OE2 GLU A 2 1.958 2.615 -8.551 1.00 0.00 O ATOM 0 H GLU A 2 3.506 -1.679 -5.861 1.00 0.00 H new ATOM 0 HA GLU A 2 2.060 0.777 -6.799 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.912 -1.147 -8.140 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.385 -0.890 -8.961 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.177 1.400 -8.053 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.305 0.665 -9.639 1.00 0.00 H new ATOM 35 N ILE A 3 -0.067 -0.624 -6.679 1.00 0.00 N ATOM 36 CA ILE A 3 -1.300 -1.371 -6.370 1.00 0.00 C ATOM 37 C ILE A 3 -2.298 -1.191 -7.531 1.00 0.00 C ATOM 38 O ILE A 3 -2.289 -0.149 -8.200 1.00 0.00 O ATOM 39 CB ILE A 3 -1.921 -0.873 -5.042 1.00 0.00 C ATOM 40 CG1 ILE A 3 -0.931 -0.789 -3.865 1.00 0.00 C ATOM 41 CG2 ILE A 3 -3.134 -1.727 -4.611 1.00 0.00 C ATOM 42 CD1 ILE A 3 -0.278 -2.091 -3.390 1.00 0.00 C ATOM 0 H ILE A 3 -0.235 0.368 -6.846 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.063 -2.428 -6.253 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.242 0.143 -5.272 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.136 -0.097 -4.144 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.455 -0.348 -3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.537 -1.341 -3.675 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.903 -1.683 -5.382 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.820 -2.761 -4.471 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.393 -1.879 -2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.050 -2.788 -3.065 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.289 -2.534 -4.209 1.00 0.00 H new ATOM 54 N GLU A 4 -3.203 -2.155 -7.743 1.00 0.00 N ATOM 55 CA GLU A 4 -4.295 -2.076 -8.700 1.00 0.00 C ATOM 56 C GLU A 4 -5.564 -2.736 -8.136 1.00 0.00 C ATOM 57 O GLU A 4 -5.494 -3.709 -7.379 1.00 0.00 O ATOM 58 CB GLU A 4 -3.848 -2.801 -9.967 1.00 0.00 C ATOM 59 CG GLU A 4 -4.847 -2.708 -11.111 1.00 0.00 C ATOM 60 CD GLU A 4 -5.150 -1.262 -11.538 1.00 0.00 C ATOM 61 OE1 GLU A 4 -6.056 -0.641 -10.932 1.00 0.00 O ATOM 62 OE2 GLU A 4 -4.492 -0.748 -12.474 1.00 0.00 O ATOM 0 H GLU A 4 -3.188 -3.038 -7.232 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.533 -1.034 -8.912 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.895 -2.387 -10.295 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.675 -3.851 -9.732 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.460 -3.259 -11.968 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.776 -3.194 -10.813 1.00 0.00 H new ATOM 69 N ARG A 5 -6.730 -2.262 -8.584 1.00 0.00 N ATOM 70 CA ARG A 5 -8.059 -2.756 -8.225 1.00 0.00 C ATOM 71 C ARG A 5 -8.659 -3.359 -9.501 1.00 0.00 C ATOM 72 O ARG A 5 -9.257 -2.637 -10.299 1.00 0.00 O ATOM 73 CB ARG A 5 -8.889 -1.585 -7.651 1.00 0.00 C ATOM 74 CG ARG A 5 -10.293 -1.964 -7.137 1.00 0.00 C ATOM 75 CD ARG A 5 -10.321 -2.745 -5.815 1.00 0.00 C ATOM 76 NE ARG A 5 -9.729 -1.968 -4.709 1.00 0.00 N ATOM 77 CZ ARG A 5 -10.387 -1.188 -3.835 1.00 0.00 C ATOM 78 NH1 ARG A 5 -11.710 -1.107 -3.817 1.00 0.00 N ATOM 79 NH2 ARG A 5 -9.702 -0.474 -2.950 1.00 0.00 N ATOM 0 H ARG A 5 -6.773 -1.483 -9.241 1.00 0.00 H new ATOM 0 HA ARG A 5 -8.038 -3.524 -7.452 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -8.330 -1.132 -6.832 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -8.996 -0.824 -8.424 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.875 -1.051 -7.012 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.793 -2.559 -7.901 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.350 -3.004 -5.567 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -9.776 -3.682 -5.934 1.00 0.00 H new ATOM 0 HE ARG A 5 -8.717 -2.029 -4.597 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.263 -1.648 -4.482 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.175 -0.504 -3.138 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -8.683 -0.520 -2.937 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -10.195 0.120 -2.283 1.00 0.00 H new ATOM 93 N ILE A 6 -8.438 -4.660 -9.737 1.00 0.00 N ATOM 94 CA ILE A 6 -8.938 -5.355 -10.928 1.00 0.00 C ATOM 95 C ILE A 6 -10.463 -5.242 -10.968 1.00 0.00 C ATOM 96 O ILE A 6 -11.060 -4.809 -11.956 1.00 0.00 O ATOM 97 CB ILE A 6 -8.509 -6.838 -10.873 1.00 0.00 C ATOM 98 CG1 ILE A 6 -6.988 -6.999 -10.702 1.00 0.00 C ATOM 99 CG2 ILE A 6 -9.025 -7.623 -12.092 1.00 0.00 C ATOM 100 CD1 ILE A 6 -6.143 -6.273 -11.751 1.00 0.00 C ATOM 0 H ILE A 6 -7.907 -5.259 -9.106 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.523 -4.903 -11.829 1.00 0.00 H new ATOM 0 HB ILE A 6 -8.974 -7.266 -9.985 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.707 -6.634 -9.714 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.744 -8.061 -10.731 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.704 -8.662 -12.018 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -10.114 -7.581 -12.117 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.624 -7.183 -13.005 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.086 -6.444 -11.549 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.389 -6.653 -12.743 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.352 -5.204 -11.710 1.00 0.00 H new ATOM 112 N ASN A 7 -11.064 -5.639 -9.851 1.00 0.00 N ATOM 113 CA ASN A 7 -12.479 -5.555 -9.530 1.00 0.00 C ATOM 114 C ASN A 7 -12.549 -5.467 -7.997 1.00 0.00 C ATOM 115 O ASN A 7 -11.529 -5.226 -7.350 1.00 0.00 O ATOM 116 CB ASN A 7 -13.252 -6.749 -10.150 1.00 0.00 C ATOM 117 CG ASN A 7 -13.072 -8.098 -9.459 1.00 0.00 C ATOM 118 OD1 ASN A 7 -12.296 -8.244 -8.525 1.00 0.00 O ATOM 119 ND2 ASN A 7 -13.785 -9.118 -9.888 1.00 0.00 N ATOM 0 H ASN A 7 -10.531 -6.060 -9.090 1.00 0.00 H new ATOM 0 HA ASN A 7 -12.968 -4.680 -9.958 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.314 -6.505 -10.154 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -12.945 -6.853 -11.191 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.690 -10.030 -9.441 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -14.432 -8.996 -10.667 1.00 0.00 H new ATOM 126 N GLU A 8 -13.721 -5.641 -7.385 1.00 0.00 N ATOM 127 CA GLU A 8 -13.866 -5.427 -5.943 1.00 0.00 C ATOM 128 C GLU A 8 -13.315 -6.584 -5.081 1.00 0.00 C ATOM 129 O GLU A 8 -13.405 -6.536 -3.853 1.00 0.00 O ATOM 130 CB GLU A 8 -15.341 -5.118 -5.629 1.00 0.00 C ATOM 131 CG GLU A 8 -15.476 -4.081 -4.507 1.00 0.00 C ATOM 132 CD GLU A 8 -15.098 -2.664 -4.985 1.00 0.00 C ATOM 133 OE1 GLU A 8 -13.889 -2.324 -5.001 1.00 0.00 O ATOM 134 OE2 GLU A 8 -16.010 -1.880 -5.348 1.00 0.00 O ATOM 0 H GLU A 8 -14.577 -5.927 -7.860 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.248 -4.572 -5.669 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -15.835 -4.748 -6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -15.852 -6.036 -5.339 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.501 -4.078 -4.137 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.836 -4.365 -3.671 1.00 0.00 H new ATOM 141 N HIS A 9 -12.751 -7.625 -5.700 1.00 0.00 N ATOM 142 CA HIS A 9 -12.409 -8.889 -5.048 1.00 0.00 C ATOM 143 C HIS A 9 -10.965 -9.295 -5.355 1.00 0.00 C ATOM 144 O HIS A 9 -10.200 -9.555 -4.426 1.00 0.00 O ATOM 145 CB HIS A 9 -13.424 -9.958 -5.499 1.00 0.00 C ATOM 146 CG HIS A 9 -14.867 -9.560 -5.271 1.00 0.00 C ATOM 147 ND1 HIS A 9 -15.847 -9.432 -6.234 1.00 0.00 N ATOM 148 CD2 HIS A 9 -15.437 -9.204 -4.075 1.00 0.00 C ATOM 149 CE1 HIS A 9 -16.974 -9.023 -5.630 1.00 0.00 C ATOM 150 NE2 HIS A 9 -16.780 -8.869 -4.307 1.00 0.00 N ATOM 0 H HIS A 9 -12.515 -7.610 -6.692 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.468 -8.780 -3.965 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -13.276 -10.163 -6.559 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -13.223 -10.886 -4.964 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -14.937 -9.185 -3.118 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -17.910 -8.842 -6.137 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -17.468 -8.570 -3.615 1.00 0.00 H new ATOM 158 N THR A 10 -10.565 -9.302 -6.625 1.00 0.00 N ATOM 159 CA THR A 10 -9.180 -9.462 -7.035 1.00 0.00 C ATOM 160 C THR A 10 -8.503 -8.100 -6.930 1.00 0.00 C ATOM 161 O THR A 10 -9.031 -7.088 -7.406 1.00 0.00 O ATOM 162 CB THR A 10 -9.122 -9.996 -8.478 1.00 0.00 C ATOM 163 OG1 THR A 10 -9.847 -11.216 -8.527 1.00 0.00 O ATOM 164 CG2 THR A 10 -7.697 -10.268 -8.978 1.00 0.00 C ATOM 0 H THR A 10 -11.209 -9.194 -7.408 1.00 0.00 H new ATOM 0 HA THR A 10 -8.665 -10.179 -6.395 1.00 0.00 H new ATOM 0 HB THR A 10 -9.547 -9.226 -9.122 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.824 -11.573 -9.439 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.736 -10.642 -10.001 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.119 -9.344 -8.951 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.223 -11.012 -8.338 1.00 0.00 H new ATOM 172 N VAL A 11 -7.284 -8.093 -6.410 1.00 0.00 N ATOM 173 CA VAL A 11 -6.376 -6.960 -6.506 1.00 0.00 C ATOM 174 C VAL A 11 -5.066 -7.521 -7.043 1.00 0.00 C ATOM 175 O VAL A 11 -4.800 -8.718 -6.914 1.00 0.00 O ATOM 176 CB VAL A 11 -6.249 -6.215 -5.152 1.00 0.00 C ATOM 177 CG1 VAL A 11 -7.584 -5.569 -4.753 1.00 0.00 C ATOM 178 CG2 VAL A 11 -5.786 -7.101 -3.988 1.00 0.00 C ATOM 0 H VAL A 11 -6.893 -8.886 -5.902 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.744 -6.190 -7.184 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.481 -5.461 -5.324 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.468 -5.053 -3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.885 -4.854 -5.519 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.347 -6.341 -4.657 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.723 -6.503 -3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.500 -7.911 -3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.805 -7.518 -4.216 1.00 0.00 H new ATOM 188 N LYS A 12 -4.233 -6.681 -7.643 1.00 0.00 N ATOM 189 CA LYS A 12 -2.862 -7.065 -7.919 1.00 0.00 C ATOM 190 C LYS A 12 -1.973 -5.928 -7.481 1.00 0.00 C ATOM 191 O LYS A 12 -2.450 -4.823 -7.231 1.00 0.00 O ATOM 192 CB LYS A 12 -2.665 -7.505 -9.382 1.00 0.00 C ATOM 193 CG LYS A 12 -2.478 -6.403 -10.418 1.00 0.00 C ATOM 194 CD LYS A 12 -2.198 -7.020 -11.798 1.00 0.00 C ATOM 195 CE LYS A 12 -2.009 -5.878 -12.795 1.00 0.00 C ATOM 196 NZ LYS A 12 -1.430 -6.333 -14.088 1.00 0.00 N ATOM 0 H LYS A 12 -4.483 -5.739 -7.944 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.586 -7.953 -7.351 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.795 -8.160 -9.424 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.528 -8.102 -9.675 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.371 -5.780 -10.464 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.652 -5.755 -10.126 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.306 -7.646 -11.762 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.025 -7.660 -12.104 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.971 -5.401 -12.981 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.358 -5.122 -12.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.571 -5.597 -14.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.412 -6.511 -13.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.902 -7.209 -14.390 1.00 0.00 H new ATOM 210 N PHE A 13 -0.686 -6.198 -7.407 1.00 0.00 N ATOM 211 CA PHE A 13 0.304 -5.207 -7.076 1.00 0.00 C ATOM 212 C PHE A 13 1.599 -5.592 -7.774 1.00 0.00 C ATOM 213 O PHE A 13 1.783 -6.736 -8.201 1.00 0.00 O ATOM 214 CB PHE A 13 0.439 -5.111 -5.550 1.00 0.00 C ATOM 215 CG PHE A 13 0.830 -6.382 -4.837 1.00 0.00 C ATOM 216 CD1 PHE A 13 -0.153 -7.298 -4.426 1.00 0.00 C ATOM 217 CD2 PHE A 13 2.178 -6.598 -4.514 1.00 0.00 C ATOM 218 CE1 PHE A 13 0.212 -8.405 -3.637 1.00 0.00 C ATOM 219 CE2 PHE A 13 2.540 -7.683 -3.705 1.00 0.00 C ATOM 220 CZ PHE A 13 1.551 -8.569 -3.236 1.00 0.00 C ATOM 0 H PHE A 13 -0.298 -7.126 -7.578 1.00 0.00 H new ATOM 0 HA PHE A 13 0.019 -4.213 -7.421 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.180 -4.346 -5.319 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.512 -4.767 -5.142 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.184 -7.153 -4.714 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.937 -5.928 -4.889 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.534 -9.127 -3.340 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.576 -7.840 -3.442 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.820 -9.374 -2.569 1.00 0.00 H new ATOM 230 N TYR A 14 2.506 -4.636 -7.875 1.00 0.00 N ATOM 231 CA TYR A 14 3.823 -4.825 -8.424 1.00 0.00 C ATOM 232 C TYR A 14 4.802 -4.353 -7.357 1.00 0.00 C ATOM 233 O TYR A 14 4.555 -3.368 -6.654 1.00 0.00 O ATOM 234 CB TYR A 14 3.932 -4.090 -9.762 1.00 0.00 C ATOM 235 CG TYR A 14 5.361 -4.016 -10.222 1.00 0.00 C ATOM 236 CD1 TYR A 14 5.969 -5.151 -10.776 1.00 0.00 C ATOM 237 CD2 TYR A 14 6.112 -2.865 -9.937 1.00 0.00 C ATOM 238 CE1 TYR A 14 7.338 -5.148 -11.070 1.00 0.00 C ATOM 239 CE2 TYR A 14 7.493 -2.855 -10.213 1.00 0.00 C ATOM 240 CZ TYR A 14 8.109 -3.994 -10.791 1.00 0.00 C ATOM 241 OH TYR A 14 9.445 -3.997 -11.073 1.00 0.00 O ATOM 0 H TYR A 14 2.334 -3.680 -7.565 1.00 0.00 H new ATOM 0 HA TYR A 14 4.050 -5.865 -8.658 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.331 -4.603 -10.513 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.526 -3.083 -9.662 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.378 -6.033 -10.977 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.635 -1.995 -9.510 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.802 -6.020 -11.507 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.083 -1.980 -9.984 1.00 0.00 H new ATOM 0 HH TYR A 14 9.834 -3.132 -10.825 1.00 0.00 H new ATOM 251 N MET A 15 5.890 -5.099 -7.207 1.00 0.00 N ATOM 252 CA MET A 15 6.809 -4.973 -6.098 1.00 0.00 C ATOM 253 C MET A 15 8.217 -5.096 -6.645 1.00 0.00 C ATOM 254 O MET A 15 8.674 -6.187 -6.984 1.00 0.00 O ATOM 255 CB MET A 15 6.506 -6.075 -5.079 1.00 0.00 C ATOM 256 CG MET A 15 7.176 -5.810 -3.749 1.00 0.00 C ATOM 257 SD MET A 15 6.604 -6.923 -2.450 1.00 0.00 S ATOM 258 CE MET A 15 6.627 -5.759 -1.065 1.00 0.00 C ATOM 0 H MET A 15 6.158 -5.824 -7.873 1.00 0.00 H new ATOM 0 HA MET A 15 6.705 -4.011 -5.597 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.428 -6.150 -4.934 1.00 0.00 H new ATOM 0 HB3 MET A 15 6.843 -7.035 -5.471 1.00 0.00 H new ATOM 0 HG2 MET A 15 8.255 -5.915 -3.863 1.00 0.00 H new ATOM 0 HG3 MET A 15 6.985 -4.779 -3.449 1.00 0.00 H new ATOM 0 HE1 MET A 15 6.334 -6.275 -0.151 1.00 0.00 H new ATOM 0 HE2 MET A 15 7.632 -5.354 -0.947 1.00 0.00 H new ATOM 0 HE3 MET A 15 5.929 -4.946 -1.262 1.00 0.00 H new ATOM 268 N SER A 16 8.892 -3.965 -6.763 1.00 0.00 N ATOM 269 CA SER A 16 10.296 -3.923 -7.135 1.00 0.00 C ATOM 270 C SER A 16 11.109 -4.607 -6.037 1.00 0.00 C ATOM 271 O SER A 16 10.740 -4.544 -4.861 1.00 0.00 O ATOM 272 CB SER A 16 10.743 -2.472 -7.347 1.00 0.00 C ATOM 273 OG SER A 16 9.752 -1.711 -8.027 1.00 0.00 O ATOM 0 H SER A 16 8.480 -3.046 -6.603 1.00 0.00 H new ATOM 0 HA SER A 16 10.456 -4.451 -8.075 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.957 -2.012 -6.382 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.670 -2.457 -7.920 1.00 0.00 H new ATOM 0 HG SER A 16 9.249 -2.295 -8.632 1.00 0.00 H new ATOM 279 N TYR A 17 12.238 -5.221 -6.393 1.00 0.00 N ATOM 280 CA TYR A 17 13.089 -5.934 -5.440 1.00 0.00 C ATOM 281 C TYR A 17 13.515 -5.063 -4.262 1.00 0.00 C ATOM 282 O TYR A 17 13.628 -5.561 -3.146 1.00 0.00 O ATOM 283 CB TYR A 17 14.322 -6.508 -6.141 1.00 0.00 C ATOM 284 CG TYR A 17 14.033 -7.498 -7.250 1.00 0.00 C ATOM 285 CD1 TYR A 17 13.002 -8.448 -7.115 1.00 0.00 C ATOM 286 CD2 TYR A 17 14.825 -7.488 -8.414 1.00 0.00 C ATOM 287 CE1 TYR A 17 12.778 -9.390 -8.127 1.00 0.00 C ATOM 288 CE2 TYR A 17 14.604 -8.432 -9.433 1.00 0.00 C ATOM 289 CZ TYR A 17 13.583 -9.402 -9.288 1.00 0.00 C ATOM 290 OH TYR A 17 13.356 -10.346 -10.243 1.00 0.00 O ATOM 0 H TYR A 17 12.588 -5.238 -7.351 1.00 0.00 H new ATOM 0 HA TYR A 17 12.488 -6.749 -5.037 1.00 0.00 H new ATOM 0 HB2 TYR A 17 14.902 -5.683 -6.555 1.00 0.00 H new ATOM 0 HB3 TYR A 17 14.950 -6.996 -5.395 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.383 -8.450 -6.230 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.607 -6.751 -8.525 1.00 0.00 H new ATOM 0 HE1 TYR A 17 11.983 -10.113 -8.019 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.213 -8.417 -10.325 1.00 0.00 H new ATOM 0 HH TYR A 17 12.968 -9.922 -11.037 1.00 0.00 H new ATOM 300 N GLY A 18 13.699 -3.761 -4.466 1.00 0.00 N ATOM 301 CA GLY A 18 14.134 -2.908 -3.378 1.00 0.00 C ATOM 302 C GLY A 18 12.998 -2.477 -2.453 1.00 0.00 C ATOM 303 O GLY A 18 13.281 -1.994 -1.363 1.00 0.00 O ATOM 0 H GLY A 18 13.556 -3.287 -5.358 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.889 -3.434 -2.793 1.00 0.00 H new ATOM 0 HA3 GLY A 18 14.613 -2.020 -3.791 1.00 0.00 H new ATOM 307 N ASP A 19 11.723 -2.687 -2.809 1.00 0.00 N ATOM 308 CA ASP A 19 10.635 -2.525 -1.831 1.00 0.00 C ATOM 309 C ASP A 19 10.758 -3.617 -0.767 1.00 0.00 C ATOM 310 O ASP A 19 10.661 -3.363 0.432 1.00 0.00 O ATOM 311 CB ASP A 19 9.258 -2.629 -2.507 1.00 0.00 C ATOM 312 CG ASP A 19 8.160 -1.997 -1.645 1.00 0.00 C ATOM 313 OD1 ASP A 19 7.632 -2.683 -0.744 1.00 0.00 O ATOM 314 OD2 ASP A 19 7.779 -0.835 -1.919 1.00 0.00 O ATOM 0 H ASP A 19 11.423 -2.963 -3.744 1.00 0.00 H new ATOM 0 HA ASP A 19 10.719 -1.537 -1.378 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.290 -2.134 -3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.020 -3.677 -2.691 1.00 0.00 H new ATOM 319 N ILE A 20 11.039 -4.837 -1.226 1.00 0.00 N ATOM 320 CA ILE A 20 11.283 -6.008 -0.397 1.00 0.00 C ATOM 321 C ILE A 20 12.551 -5.776 0.434 1.00 0.00 C ATOM 322 O ILE A 20 12.551 -6.016 1.644 1.00 0.00 O ATOM 323 CB ILE A 20 11.353 -7.242 -1.335 1.00 0.00 C ATOM 324 CG1 ILE A 20 9.950 -7.534 -1.911 1.00 0.00 C ATOM 325 CG2 ILE A 20 11.925 -8.478 -0.643 1.00 0.00 C ATOM 326 CD1 ILE A 20 9.965 -8.061 -3.352 1.00 0.00 C ATOM 0 H ILE A 20 11.104 -5.040 -2.224 1.00 0.00 H new ATOM 0 HA ILE A 20 10.483 -6.190 0.321 1.00 0.00 H new ATOM 0 HB ILE A 20 12.040 -7.001 -2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.451 -8.264 -1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.356 -6.621 -1.875 1.00 0.00 H new ATOM 0 HG21 ILE A 20 11.950 -9.310 -1.347 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.936 -8.265 -0.296 1.00 0.00 H new ATOM 0 HG23 ILE A 20 11.297 -8.742 0.208 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.943 -8.242 -3.684 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.433 -7.324 -4.004 1.00 0.00 H new ATOM 0 HD13 ILE A 20 10.530 -8.992 -3.393 1.00 0.00 H new ATOM 338 N GLU A 21 13.616 -5.271 -0.192 1.00 0.00 N ATOM 339 CA GLU A 21 14.889 -5.079 0.470 1.00 0.00 C ATOM 340 C GLU A 21 14.804 -3.993 1.549 1.00 0.00 C ATOM 341 O GLU A 21 15.468 -4.098 2.580 1.00 0.00 O ATOM 342 CB GLU A 21 15.987 -4.847 -0.580 1.00 0.00 C ATOM 343 CG GLU A 21 16.468 -3.414 -0.681 1.00 0.00 C ATOM 344 CD GLU A 21 17.628 -3.236 -1.679 1.00 0.00 C ATOM 345 OE1 GLU A 21 18.782 -3.602 -1.343 1.00 0.00 O ATOM 346 OE2 GLU A 21 17.405 -2.706 -2.794 1.00 0.00 O ATOM 0 H GLU A 21 13.611 -4.987 -1.172 1.00 0.00 H new ATOM 0 HA GLU A 21 15.163 -5.983 1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.838 -5.487 -0.345 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.612 -5.161 -1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.636 -2.778 -0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.788 -3.074 0.304 1.00 0.00 H new ATOM 353 N ASP A 22 13.991 -2.958 1.331 1.00 0.00 N ATOM 354 CA ASP A 22 13.832 -1.845 2.270 1.00 0.00 C ATOM 355 C ASP A 22 13.247 -2.319 3.594 1.00 0.00 C ATOM 356 O ASP A 22 13.691 -1.928 4.676 1.00 0.00 O ATOM 357 CB ASP A 22 12.886 -0.788 1.713 1.00 0.00 C ATOM 358 CG ASP A 22 12.801 0.416 2.670 1.00 0.00 C ATOM 359 OD1 ASP A 22 13.787 1.185 2.759 1.00 0.00 O ATOM 360 OD2 ASP A 22 11.743 0.610 3.317 1.00 0.00 O ATOM 0 H ASP A 22 13.419 -2.867 0.491 1.00 0.00 H new ATOM 0 HA ASP A 22 14.827 -1.426 2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.235 -0.459 0.734 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.894 -1.218 1.570 1.00 0.00 H new ATOM 365 N ARG A 23 12.275 -3.224 3.485 1.00 0.00 N ATOM 366 CA ARG A 23 11.662 -3.914 4.615 1.00 0.00 C ATOM 367 C ARG A 23 12.676 -4.831 5.313 1.00 0.00 C ATOM 368 O ARG A 23 12.408 -5.301 6.421 1.00 0.00 O ATOM 369 CB ARG A 23 10.446 -4.717 4.121 1.00 0.00 C ATOM 370 CG ARG A 23 9.346 -3.870 3.473 1.00 0.00 C ATOM 371 CD ARG A 23 8.470 -4.727 2.544 1.00 0.00 C ATOM 372 NE ARG A 23 7.551 -3.875 1.776 1.00 0.00 N ATOM 373 CZ ARG A 23 6.472 -3.227 2.220 1.00 0.00 C ATOM 374 NH1 ARG A 23 6.005 -3.407 3.452 1.00 0.00 N ATOM 375 NH2 ARG A 23 5.883 -2.380 1.388 1.00 0.00 N ATOM 0 H ARG A 23 11.884 -3.503 2.585 1.00 0.00 H new ATOM 0 HA ARG A 23 11.331 -3.177 5.346 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.786 -5.461 3.401 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.019 -5.261 4.964 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.727 -3.416 4.247 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.795 -3.055 2.906 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.101 -5.298 1.863 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.902 -5.448 3.132 1.00 0.00 H new ATOM 0 HE ARG A 23 7.763 -3.766 0.784 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.474 -4.054 4.086 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.178 -2.898 3.763 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.257 -2.244 0.449 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.055 -1.864 1.687 1.00 0.00 H new ATOM 389 N GLY A 24 13.813 -5.114 4.675 1.00 0.00 N ATOM 390 CA GLY A 24 14.843 -6.013 5.168 1.00 0.00 C ATOM 391 C GLY A 24 14.560 -7.480 4.831 1.00 0.00 C ATOM 392 O GLY A 24 15.243 -8.367 5.347 1.00 0.00 O ATOM 0 H GLY A 24 14.044 -4.706 3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.804 -5.726 4.742 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.928 -5.903 6.249 1.00 0.00 H new ATOM 396 N PHE A 25 13.557 -7.741 3.986 1.00 0.00 N ATOM 397 CA PHE A 25 13.275 -9.065 3.432 1.00 0.00 C ATOM 398 C PHE A 25 14.194 -9.255 2.208 1.00 0.00 C ATOM 399 O PHE A 25 14.989 -8.371 1.871 1.00 0.00 O ATOM 400 CB PHE A 25 11.768 -9.180 3.098 1.00 0.00 C ATOM 401 CG PHE A 25 10.821 -9.135 4.292 1.00 0.00 C ATOM 402 CD1 PHE A 25 10.733 -7.965 5.069 1.00 0.00 C ATOM 403 CD2 PHE A 25 9.993 -10.227 4.628 1.00 0.00 C ATOM 404 CE1 PHE A 25 9.895 -7.888 6.188 1.00 0.00 C ATOM 405 CE2 PHE A 25 9.149 -10.149 5.749 1.00 0.00 C ATOM 406 CZ PHE A 25 9.102 -8.987 6.538 1.00 0.00 C ATOM 0 H PHE A 25 12.908 -7.023 3.663 1.00 0.00 H new ATOM 0 HA PHE A 25 13.484 -9.864 4.144 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.503 -8.371 2.417 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.604 -10.115 2.562 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.327 -7.105 4.795 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.008 -11.122 4.024 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.861 -6.984 6.779 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.528 -10.994 6.008 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.460 -8.942 7.406 1.00 0.00 H new ATOM 416 N ASP A 26 14.090 -10.389 1.513 1.00 0.00 N ATOM 417 CA ASP A 26 14.857 -10.651 0.291 1.00 0.00 C ATOM 418 C ASP A 26 13.906 -11.222 -0.743 1.00 0.00 C ATOM 419 O ASP A 26 12.963 -11.922 -0.369 1.00 0.00 O ATOM 420 CB ASP A 26 15.981 -11.659 0.541 1.00 0.00 C ATOM 421 CG ASP A 26 17.110 -11.471 -0.479 1.00 0.00 C ATOM 422 OD1 ASP A 26 16.989 -12.019 -1.599 1.00 0.00 O ATOM 423 OD2 ASP A 26 18.102 -10.771 -0.168 1.00 0.00 O ATOM 0 H ASP A 26 13.471 -11.154 1.781 1.00 0.00 H new ATOM 0 HA ASP A 26 15.309 -9.720 -0.051 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.371 -11.534 1.551 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.589 -12.674 0.474 1.00 0.00 H new ATOM 428 N ARG A 27 14.129 -10.944 -2.030 1.00 0.00 N ATOM 429 CA ARG A 27 13.224 -11.387 -3.091 1.00 0.00 C ATOM 430 C ARG A 27 13.059 -12.904 -3.120 1.00 0.00 C ATOM 431 O ARG A 27 11.988 -13.372 -3.496 1.00 0.00 O ATOM 432 CB ARG A 27 13.684 -10.828 -4.456 1.00 0.00 C ATOM 433 CG ARG A 27 15.007 -11.440 -4.955 1.00 0.00 C ATOM 434 CD ARG A 27 15.542 -10.756 -6.220 1.00 0.00 C ATOM 435 NE ARG A 27 16.849 -11.325 -6.608 1.00 0.00 N ATOM 436 CZ ARG A 27 17.685 -10.844 -7.539 1.00 0.00 C ATOM 437 NH1 ARG A 27 17.359 -9.768 -8.250 1.00 0.00 N ATOM 438 NH2 ARG A 27 18.854 -11.445 -7.754 1.00 0.00 N ATOM 0 H ARG A 27 14.933 -10.411 -2.362 1.00 0.00 H new ATOM 0 HA ARG A 27 12.235 -10.984 -2.874 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.905 -11.012 -5.196 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.800 -9.747 -4.377 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.755 -11.368 -4.165 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.857 -12.501 -5.157 1.00 0.00 H new ATOM 0 HD2 ARG A 27 14.829 -10.880 -7.035 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.643 -9.685 -6.045 1.00 0.00 H new ATOM 0 HE ARG A 27 17.145 -12.169 -6.118 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.466 -9.302 -8.089 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.002 -9.409 -8.956 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.111 -12.269 -7.211 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.492 -11.081 -8.462 1.00 0.00 H new ATOM 452 N GLU A 28 14.085 -13.663 -2.734 1.00 0.00 N ATOM 453 CA GLU A 28 13.971 -15.107 -2.601 1.00 0.00 C ATOM 454 C GLU A 28 13.374 -15.438 -1.234 1.00 0.00 C ATOM 455 O GLU A 28 12.439 -16.227 -1.151 1.00 0.00 O ATOM 456 CB GLU A 28 15.339 -15.774 -2.780 1.00 0.00 C ATOM 457 CG GLU A 28 15.875 -15.619 -4.208 1.00 0.00 C ATOM 458 CD GLU A 28 17.159 -16.442 -4.422 1.00 0.00 C ATOM 459 OE1 GLU A 28 17.066 -17.634 -4.804 1.00 0.00 O ATOM 460 OE2 GLU A 28 18.277 -15.899 -4.234 1.00 0.00 O ATOM 0 H GLU A 28 15.009 -13.294 -2.508 1.00 0.00 H new ATOM 0 HA GLU A 28 13.313 -15.493 -3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 28 16.049 -15.338 -2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 28 15.260 -16.833 -2.536 1.00 0.00 H new ATOM 0 HG2 GLU A 28 15.114 -15.939 -4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 28 16.078 -14.567 -4.409 1.00 0.00 H new ATOM 467 N GLU A 29 13.877 -14.826 -0.158 1.00 0.00 N ATOM 468 CA GLU A 29 13.515 -15.173 1.219 1.00 0.00 C ATOM 469 C GLU A 29 12.018 -15.069 1.472 1.00 0.00 C ATOM 470 O GLU A 29 11.474 -15.910 2.187 1.00 0.00 O ATOM 471 CB GLU A 29 14.259 -14.265 2.208 1.00 0.00 C ATOM 472 CG GLU A 29 15.750 -14.587 2.313 1.00 0.00 C ATOM 473 CD GLU A 29 16.053 -15.670 3.370 1.00 0.00 C ATOM 474 OE1 GLU A 29 15.662 -16.847 3.177 1.00 0.00 O ATOM 475 OE2 GLU A 29 16.684 -15.350 4.408 1.00 0.00 O ATOM 0 H GLU A 29 14.555 -14.067 -0.220 1.00 0.00 H new ATOM 0 HA GLU A 29 13.807 -16.212 1.369 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.139 -13.226 1.900 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.803 -14.360 3.193 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.114 -14.921 1.342 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.297 -13.678 2.563 1.00 0.00 H new ATOM 482 N ILE A 30 11.373 -14.086 0.847 1.00 0.00 N ATOM 483 CA ILE A 30 9.914 -13.952 0.796 1.00 0.00 C ATOM 484 C ILE A 30 9.287 -15.321 0.507 1.00 0.00 C ATOM 485 O ILE A 30 8.476 -15.803 1.292 1.00 0.00 O ATOM 486 CB ILE A 30 9.515 -12.885 -0.252 1.00 0.00 C ATOM 487 CG1 ILE A 30 9.868 -11.464 0.241 1.00 0.00 C ATOM 488 CG2 ILE A 30 8.039 -12.952 -0.702 1.00 0.00 C ATOM 489 CD1 ILE A 30 8.797 -10.712 1.059 1.00 0.00 C ATOM 0 H ILE A 30 11.860 -13.341 0.349 1.00 0.00 H new ATOM 0 HA ILE A 30 9.533 -13.610 1.759 1.00 0.00 H new ATOM 0 HB ILE A 30 10.105 -13.120 -1.138 1.00 0.00 H new ATOM 0 HG12 ILE A 30 10.770 -11.532 0.849 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.115 -10.857 -0.630 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.847 -12.170 -1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.839 -13.926 -1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.389 -12.808 0.161 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.177 -9.730 1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.896 -10.594 0.457 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.561 -11.280 1.959 1.00 0.00 H new ATOM 501 N TRP A 31 9.681 -15.974 -0.584 1.00 0.00 N ATOM 502 CA TRP A 31 9.060 -17.211 -1.058 1.00 0.00 C ATOM 503 C TRP A 31 9.446 -18.446 -0.239 1.00 0.00 C ATOM 504 O TRP A 31 8.765 -19.472 -0.347 1.00 0.00 O ATOM 505 CB TRP A 31 9.416 -17.437 -2.531 1.00 0.00 C ATOM 506 CG TRP A 31 9.098 -16.274 -3.413 1.00 0.00 C ATOM 507 CD1 TRP A 31 10.004 -15.578 -4.130 1.00 0.00 C ATOM 508 CD2 TRP A 31 7.820 -15.593 -3.616 1.00 0.00 C ATOM 509 NE1 TRP A 31 9.397 -14.482 -4.709 1.00 0.00 N ATOM 510 CE2 TRP A 31 8.061 -14.408 -4.373 1.00 0.00 C ATOM 511 CE3 TRP A 31 6.486 -15.836 -3.217 1.00 0.00 C ATOM 512 CZ2 TRP A 31 7.051 -13.475 -4.643 1.00 0.00 C ATOM 513 CZ3 TRP A 31 5.449 -14.940 -3.555 1.00 0.00 C ATOM 514 CH2 TRP A 31 5.729 -13.753 -4.248 1.00 0.00 C ATOM 0 H TRP A 31 10.451 -15.655 -1.172 1.00 0.00 H new ATOM 0 HA TRP A 31 7.984 -17.083 -0.937 1.00 0.00 H new ATOM 0 HB2 TRP A 31 10.480 -17.659 -2.608 1.00 0.00 H new ATOM 0 HB3 TRP A 31 8.880 -18.314 -2.894 1.00 0.00 H new ATOM 0 HD1 TRP A 31 11.047 -15.839 -4.235 1.00 0.00 H new ATOM 0 HE1 TRP A 31 9.876 -13.811 -5.310 1.00 0.00 H new ATOM 0 HE3 TRP A 31 6.256 -16.722 -2.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 7.285 -12.550 -5.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 4.431 -15.170 -3.278 1.00 0.00 H new ATOM 0 HH2 TRP A 31 4.935 -13.057 -4.477 1.00 0.00 H new ATOM 525 N TYR A 32 10.509 -18.375 0.567 1.00 0.00 N ATOM 526 CA TYR A 32 11.146 -19.544 1.179 1.00 0.00 C ATOM 527 C TYR A 32 11.066 -19.527 2.711 1.00 0.00 C ATOM 528 O TYR A 32 11.639 -20.394 3.373 1.00 0.00 O ATOM 529 CB TYR A 32 12.581 -19.681 0.634 1.00 0.00 C ATOM 530 CG TYR A 32 12.652 -19.863 -0.873 1.00 0.00 C ATOM 531 CD1 TYR A 32 11.943 -20.907 -1.495 1.00 0.00 C ATOM 532 CD2 TYR A 32 13.412 -18.979 -1.657 1.00 0.00 C ATOM 533 CE1 TYR A 32 11.956 -21.038 -2.892 1.00 0.00 C ATOM 534 CE2 TYR A 32 13.400 -19.076 -3.061 1.00 0.00 C ATOM 535 CZ TYR A 32 12.671 -20.114 -3.688 1.00 0.00 C ATOM 536 OH TYR A 32 12.656 -20.236 -5.048 1.00 0.00 O ATOM 0 H TYR A 32 10.957 -17.493 0.816 1.00 0.00 H new ATOM 0 HA TYR A 32 10.593 -20.440 0.896 1.00 0.00 H new ATOM 0 HB2 TYR A 32 13.150 -18.794 0.910 1.00 0.00 H new ATOM 0 HB3 TYR A 32 13.063 -20.532 1.116 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.386 -21.611 -0.894 1.00 0.00 H new ATOM 0 HD2 TYR A 32 14.011 -18.218 -1.178 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.418 -21.848 -3.361 1.00 0.00 H new ATOM 0 HE2 TYR A 32 13.946 -18.360 -3.658 1.00 0.00 H new ATOM 0 HH TYR A 32 13.196 -19.522 -5.446 1.00 0.00 H new ATOM 546 N ASN A 33 10.317 -18.578 3.283 1.00 0.00 N ATOM 547 CA ASN A 33 10.053 -18.434 4.704 1.00 0.00 C ATOM 548 C ASN A 33 8.565 -18.122 4.827 1.00 0.00 C ATOM 549 O ASN A 33 8.194 -16.953 4.768 1.00 0.00 O ATOM 550 CB ASN A 33 10.898 -17.275 5.250 1.00 0.00 C ATOM 551 CG ASN A 33 12.387 -17.568 5.257 1.00 0.00 C ATOM 552 OD1 ASN A 33 12.931 -18.171 6.180 1.00 0.00 O ATOM 553 ND2 ASN A 33 13.058 -17.119 4.215 1.00 0.00 N ATOM 0 H ASN A 33 9.857 -17.855 2.730 1.00 0.00 H new ATOM 0 HA ASN A 33 10.306 -19.331 5.269 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.713 -16.385 4.649 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.575 -17.046 6.266 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.065 -17.268 4.154 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.570 -16.623 3.469 1.00 0.00 H new ATOM 560 N ARG A 34 7.702 -19.138 4.929 1.00 0.00 N ATOM 561 CA ARG A 34 6.247 -18.995 4.743 1.00 0.00 C ATOM 562 C ARG A 34 5.643 -17.837 5.537 1.00 0.00 C ATOM 563 O ARG A 34 4.847 -17.061 5.005 1.00 0.00 O ATOM 564 CB ARG A 34 5.563 -20.333 5.065 1.00 0.00 C ATOM 565 CG ARG A 34 4.034 -20.264 4.932 1.00 0.00 C ATOM 566 CD ARG A 34 3.422 -21.668 5.000 1.00 0.00 C ATOM 567 NE ARG A 34 1.948 -21.623 4.955 1.00 0.00 N ATOM 568 CZ ARG A 34 1.130 -22.685 5.013 1.00 0.00 C ATOM 569 NH1 ARG A 34 1.622 -23.919 5.122 1.00 0.00 N ATOM 570 NH2 ARG A 34 -0.188 -22.508 4.958 1.00 0.00 N ATOM 0 H ARG A 34 7.992 -20.092 5.145 1.00 0.00 H new ATOM 0 HA ARG A 34 6.068 -18.739 3.699 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.947 -21.103 4.396 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.822 -20.634 6.080 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.622 -19.643 5.728 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.767 -19.790 3.987 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.793 -22.268 4.169 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.743 -22.161 5.917 1.00 0.00 H new ATOM 0 HE ARG A 34 1.513 -20.704 4.873 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.631 -24.064 5.162 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.990 -24.718 5.165 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.573 -21.567 4.872 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.813 -23.313 5.002 1.00 0.00 H new ATOM 584 N GLU A 35 6.013 -17.695 6.812 1.00 0.00 N ATOM 585 CA GLU A 35 5.424 -16.640 7.631 1.00 0.00 C ATOM 586 C GLU A 35 5.925 -15.259 7.192 1.00 0.00 C ATOM 587 O GLU A 35 5.193 -14.274 7.288 1.00 0.00 O ATOM 588 CB GLU A 35 5.677 -16.906 9.126 1.00 0.00 C ATOM 589 CG GLU A 35 7.064 -16.457 9.620 1.00 0.00 C ATOM 590 CD GLU A 35 7.429 -17.113 10.964 1.00 0.00 C ATOM 591 OE1 GLU A 35 7.056 -16.570 12.031 1.00 0.00 O ATOM 592 OE2 GLU A 35 8.101 -18.175 10.961 1.00 0.00 O ATOM 0 H GLU A 35 6.699 -18.281 7.287 1.00 0.00 H new ATOM 0 HA GLU A 35 4.344 -16.646 7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.912 -16.393 9.709 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.563 -17.973 9.318 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.816 -16.713 8.874 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.078 -15.373 9.729 1.00 0.00 H new ATOM 599 N ARG A 36 7.159 -15.181 6.680 1.00 0.00 N ATOM 600 CA ARG A 36 7.738 -13.946 6.188 1.00 0.00 C ATOM 601 C ARG A 36 7.202 -13.613 4.799 1.00 0.00 C ATOM 602 O ARG A 36 7.249 -12.444 4.417 1.00 0.00 O ATOM 603 CB ARG A 36 9.263 -14.029 6.194 1.00 0.00 C ATOM 604 CG ARG A 36 9.898 -14.189 7.589 1.00 0.00 C ATOM 605 CD ARG A 36 9.259 -13.311 8.682 1.00 0.00 C ATOM 606 NE ARG A 36 9.916 -13.491 9.984 1.00 0.00 N ATOM 607 CZ ARG A 36 9.385 -13.190 11.180 1.00 0.00 C ATOM 608 NH1 ARG A 36 8.164 -12.669 11.286 1.00 0.00 N ATOM 609 NH2 ARG A 36 10.096 -13.412 12.283 1.00 0.00 N ATOM 0 H ARG A 36 7.781 -15.985 6.599 1.00 0.00 H new ATOM 0 HA ARG A 36 7.446 -13.136 6.856 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.569 -14.871 5.573 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.663 -13.128 5.730 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.825 -15.234 7.890 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.959 -13.950 7.522 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.319 -12.263 8.387 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.201 -13.557 8.772 1.00 0.00 H new ATOM 0 HE ARG A 36 10.859 -13.879 9.979 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.611 -12.490 10.448 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.782 -12.449 12.206 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.034 -13.807 12.214 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.703 -13.187 13.197 1.00 0.00 H new ATOM 623 N SER A 37 6.670 -14.584 4.053 1.00 0.00 N ATOM 624 CA SER A 37 5.915 -14.245 2.861 1.00 0.00 C ATOM 625 C SER A 37 4.673 -13.478 3.310 1.00 0.00 C ATOM 626 O SER A 37 4.412 -12.405 2.784 1.00 0.00 O ATOM 627 CB SER A 37 5.519 -15.458 2.002 1.00 0.00 C ATOM 628 OG SER A 37 6.243 -16.631 2.316 1.00 0.00 O ATOM 0 H SER A 37 6.748 -15.582 4.251 1.00 0.00 H new ATOM 0 HA SER A 37 6.553 -13.642 2.215 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.454 -15.652 2.131 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.674 -15.215 0.951 1.00 0.00 H new ATOM 0 HG SER A 37 7.202 -16.461 2.212 1.00 0.00 H new ATOM 634 N GLU A 38 3.937 -14.004 4.296 1.00 0.00 N ATOM 635 CA GLU A 38 2.628 -13.525 4.704 1.00 0.00 C ATOM 636 C GLU A 38 2.620 -12.025 5.022 1.00 0.00 C ATOM 637 O GLU A 38 1.649 -11.344 4.695 1.00 0.00 O ATOM 638 CB GLU A 38 2.155 -14.371 5.895 1.00 0.00 C ATOM 639 CG GLU A 38 0.632 -14.448 5.910 1.00 0.00 C ATOM 640 CD GLU A 38 0.121 -15.217 7.141 1.00 0.00 C ATOM 641 OE1 GLU A 38 0.108 -16.472 7.110 1.00 0.00 O ATOM 642 OE2 GLU A 38 -0.289 -14.573 8.137 1.00 0.00 O ATOM 0 H GLU A 38 4.255 -14.802 4.846 1.00 0.00 H new ATOM 0 HA GLU A 38 1.932 -13.640 3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.577 -15.374 5.829 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.514 -13.934 6.827 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.215 -13.441 5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.282 -14.938 5.002 1.00 0.00 H new ATOM 649 N GLU A 39 3.706 -11.489 5.583 1.00 0.00 N ATOM 650 CA GLU A 39 3.842 -10.087 5.954 1.00 0.00 C ATOM 651 C GLU A 39 3.644 -9.166 4.743 1.00 0.00 C ATOM 652 O GLU A 39 3.101 -8.065 4.871 1.00 0.00 O ATOM 653 CB GLU A 39 5.238 -9.817 6.551 1.00 0.00 C ATOM 654 CG GLU A 39 5.930 -10.956 7.301 1.00 0.00 C ATOM 655 CD GLU A 39 5.373 -11.320 8.691 1.00 0.00 C ATOM 656 OE1 GLU A 39 4.187 -11.046 8.996 1.00 0.00 O ATOM 657 OE2 GLU A 39 6.169 -11.847 9.509 1.00 0.00 O ATOM 0 H GLU A 39 4.538 -12.039 5.796 1.00 0.00 H new ATOM 0 HA GLU A 39 3.071 -9.876 6.695 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.894 -9.505 5.738 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.152 -8.972 7.234 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.888 -11.848 6.675 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.982 -10.696 7.415 1.00 0.00 H new ATOM 664 N LEU A 40 4.073 -9.632 3.567 1.00 0.00 N ATOM 665 CA LEU A 40 3.879 -8.949 2.297 1.00 0.00 C ATOM 666 C LEU A 40 2.377 -8.744 2.088 1.00 0.00 C ATOM 667 O LEU A 40 1.890 -7.632 1.889 1.00 0.00 O ATOM 668 CB LEU A 40 4.494 -9.790 1.158 1.00 0.00 C ATOM 669 CG LEU A 40 4.585 -9.178 -0.262 1.00 0.00 C ATOM 670 CD1 LEU A 40 4.183 -10.227 -1.303 1.00 0.00 C ATOM 671 CD2 LEU A 40 3.799 -7.877 -0.482 1.00 0.00 C ATOM 0 H LEU A 40 4.575 -10.515 3.476 1.00 0.00 H new ATOM 0 HA LEU A 40 4.375 -7.978 2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.503 -10.068 1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.919 -10.713 1.082 1.00 0.00 H new ATOM 0 HG LEU A 40 5.629 -8.886 -0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.248 -9.793 -2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.854 -11.083 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.160 -10.553 -1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.935 -7.539 -1.509 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.740 -8.056 -0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.164 -7.111 0.203 1.00 0.00 H new ATOM 683 N PHE A 41 1.630 -9.837 2.171 1.00 0.00 N ATOM 684 CA PHE A 41 0.216 -9.877 1.864 1.00 0.00 C ATOM 685 C PHE A 41 -0.568 -9.064 2.884 1.00 0.00 C ATOM 686 O PHE A 41 -1.510 -8.363 2.520 1.00 0.00 O ATOM 687 CB PHE A 41 -0.245 -11.329 1.789 1.00 0.00 C ATOM 688 CG PHE A 41 0.563 -12.080 0.757 1.00 0.00 C ATOM 689 CD1 PHE A 41 1.790 -12.653 1.122 1.00 0.00 C ATOM 690 CD2 PHE A 41 0.177 -12.056 -0.593 1.00 0.00 C ATOM 691 CE1 PHE A 41 2.612 -13.251 0.152 1.00 0.00 C ATOM 692 CE2 PHE A 41 1.002 -12.640 -1.565 1.00 0.00 C ATOM 693 CZ PHE A 41 2.213 -13.251 -1.195 1.00 0.00 C ATOM 0 H PHE A 41 2.005 -10.740 2.461 1.00 0.00 H new ATOM 0 HA PHE A 41 0.030 -9.422 0.891 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.135 -11.804 2.764 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.304 -11.369 1.533 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.105 -12.634 2.155 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.753 -11.589 -0.882 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.547 -13.709 0.441 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.706 -12.620 -2.603 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.835 -13.719 -1.944 1.00 0.00 H new ATOM 703 N TRP A 42 -0.144 -9.098 4.145 1.00 0.00 N ATOM 704 CA TRP A 42 -0.706 -8.240 5.169 1.00 0.00 C ATOM 705 C TRP A 42 -0.587 -6.753 4.808 1.00 0.00 C ATOM 706 O TRP A 42 -1.529 -6.014 5.079 1.00 0.00 O ATOM 707 CB TRP A 42 -0.077 -8.578 6.523 1.00 0.00 C ATOM 708 CG TRP A 42 -0.701 -9.773 7.176 1.00 0.00 C ATOM 709 CD1 TRP A 42 -0.134 -10.991 7.332 1.00 0.00 C ATOM 710 CD2 TRP A 42 -2.056 -9.902 7.708 1.00 0.00 C ATOM 711 NE1 TRP A 42 -1.033 -11.853 7.926 1.00 0.00 N ATOM 712 CE2 TRP A 42 -2.245 -11.240 8.164 1.00 0.00 C ATOM 713 CE3 TRP A 42 -3.158 -9.024 7.820 1.00 0.00 C ATOM 714 CZ2 TRP A 42 -3.465 -11.686 8.698 1.00 0.00 C ATOM 715 CZ3 TRP A 42 -4.390 -9.461 8.348 1.00 0.00 C ATOM 716 CH2 TRP A 42 -4.545 -10.789 8.785 1.00 0.00 C ATOM 0 H TRP A 42 0.594 -9.719 4.478 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.777 -8.431 5.239 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.989 -8.760 6.387 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.171 -7.718 7.186 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.872 -11.250 7.036 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.826 -12.824 8.160 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.054 -7.999 7.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.573 -12.705 9.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.219 -8.772 8.417 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.492 -11.119 9.187 1.00 0.00 H new ATOM 727 N GLU A 43 0.492 -6.296 4.165 1.00 0.00 N ATOM 728 CA GLU A 43 0.634 -4.901 3.779 1.00 0.00 C ATOM 729 C GLU A 43 -0.363 -4.530 2.673 1.00 0.00 C ATOM 730 O GLU A 43 -0.970 -3.459 2.710 1.00 0.00 O ATOM 731 CB GLU A 43 2.073 -4.659 3.299 1.00 0.00 C ATOM 732 CG GLU A 43 2.392 -3.198 2.995 1.00 0.00 C ATOM 733 CD GLU A 43 2.688 -2.372 4.260 1.00 0.00 C ATOM 734 OE1 GLU A 43 1.768 -2.111 5.070 1.00 0.00 O ATOM 735 OE2 GLU A 43 3.865 -1.974 4.440 1.00 0.00 O ATOM 0 H GLU A 43 1.283 -6.883 3.902 1.00 0.00 H new ATOM 0 HA GLU A 43 0.421 -4.271 4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.764 -5.019 4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.250 -5.252 2.402 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.252 -3.151 2.327 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.551 -2.751 2.464 1.00 0.00 H new ATOM 742 N VAL A 44 -0.551 -5.390 1.672 1.00 0.00 N ATOM 743 CA VAL A 44 -1.397 -5.058 0.540 1.00 0.00 C ATOM 744 C VAL A 44 -2.875 -5.132 0.907 1.00 0.00 C ATOM 745 O VAL A 44 -3.668 -4.291 0.495 1.00 0.00 O ATOM 746 CB VAL A 44 -1.061 -5.939 -0.659 1.00 0.00 C ATOM 747 CG1 VAL A 44 0.301 -5.523 -1.223 1.00 0.00 C ATOM 748 CG2 VAL A 44 -0.974 -7.429 -0.374 1.00 0.00 C ATOM 0 H VAL A 44 -0.128 -6.317 1.627 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.196 -4.025 0.257 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.890 -5.789 -1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.546 -6.150 -2.080 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.262 -4.479 -1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.065 -5.644 -0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.730 -7.962 -1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.197 -7.613 0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.932 -7.783 0.008 1.00 0.00 H new ATOM 758 N MET A 45 -3.249 -6.112 1.720 1.00 0.00 N ATOM 759 CA MET A 45 -4.552 -6.161 2.351 1.00 0.00 C ATOM 760 C MET A 45 -4.754 -4.923 3.230 1.00 0.00 C ATOM 761 O MET A 45 -5.832 -4.331 3.186 1.00 0.00 O ATOM 762 CB MET A 45 -4.645 -7.429 3.197 1.00 0.00 C ATOM 763 CG MET A 45 -4.692 -8.723 2.379 1.00 0.00 C ATOM 764 SD MET A 45 -6.258 -9.057 1.514 1.00 0.00 S ATOM 765 CE MET A 45 -5.889 -8.492 -0.175 1.00 0.00 C ATOM 0 H MET A 45 -2.647 -6.900 1.959 1.00 0.00 H new ATOM 0 HA MET A 45 -5.331 -6.174 1.588 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.788 -7.468 3.870 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.538 -7.373 3.820 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.890 -8.693 1.641 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.481 -9.560 3.045 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.793 -8.086 -0.628 1.00 0.00 H new ATOM 0 HE2 MET A 45 -5.121 -7.719 -0.141 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.531 -9.332 -0.770 1.00 0.00 H new ATOM 775 N ASP A 46 -3.746 -4.503 4.001 1.00 0.00 N ATOM 776 CA ASP A 46 -3.831 -3.285 4.807 1.00 0.00 C ATOM 777 C ASP A 46 -4.129 -2.059 3.942 1.00 0.00 C ATOM 778 O ASP A 46 -4.990 -1.251 4.297 1.00 0.00 O ATOM 779 CB ASP A 46 -2.576 -3.027 5.632 1.00 0.00 C ATOM 780 CG ASP A 46 -2.763 -1.742 6.454 1.00 0.00 C ATOM 781 OD1 ASP A 46 -3.475 -1.791 7.487 1.00 0.00 O ATOM 782 OD2 ASP A 46 -2.192 -0.690 6.082 1.00 0.00 O ATOM 0 H ASP A 46 -2.856 -4.994 4.083 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.657 -3.451 5.498 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.383 -3.871 6.294 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.710 -2.931 4.977 1.00 0.00 H new ATOM 787 N GLU A 47 -3.495 -1.965 2.771 1.00 0.00 N ATOM 788 CA GLU A 47 -3.703 -0.943 1.757 1.00 0.00 C ATOM 789 C GLU A 47 -5.155 -0.909 1.230 1.00 0.00 C ATOM 790 O GLU A 47 -5.527 0.021 0.511 1.00 0.00 O ATOM 791 CB GLU A 47 -2.711 -1.197 0.601 1.00 0.00 C ATOM 792 CG GLU A 47 -1.494 -0.268 0.566 1.00 0.00 C ATOM 793 CD GLU A 47 -1.880 1.213 0.383 1.00 0.00 C ATOM 794 OE1 GLU A 47 -2.113 1.646 -0.771 1.00 0.00 O ATOM 795 OE2 GLU A 47 -1.925 1.962 1.390 1.00 0.00 O ATOM 0 H GLU A 47 -2.783 -2.641 2.495 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.525 0.032 2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.359 -2.227 0.666 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.247 -1.102 -0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.930 -0.380 1.492 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.835 -0.570 -0.248 1.00 0.00 H new ATOM 802 N VAL A 48 -5.977 -1.896 1.592 1.00 0.00 N ATOM 803 CA VAL A 48 -7.364 -2.063 1.169 1.00 0.00 C ATOM 804 C VAL A 48 -8.287 -2.144 2.402 1.00 0.00 C ATOM 805 O VAL A 48 -9.506 -2.109 2.250 1.00 0.00 O ATOM 806 CB VAL A 48 -7.471 -3.306 0.243 1.00 0.00 C ATOM 807 CG1 VAL A 48 -8.880 -3.524 -0.336 1.00 0.00 C ATOM 808 CG2 VAL A 48 -6.531 -3.224 -0.973 1.00 0.00 C ATOM 0 H VAL A 48 -5.674 -2.639 2.222 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.695 -1.200 0.592 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.198 -4.129 0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.879 -4.409 -0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.591 -3.664 0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.170 -2.654 -0.925 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.648 -4.119 -1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.779 -2.344 -1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.499 -3.151 -0.631 1.00 0.00 H new ATOM 818 N HIS A 49 -7.753 -2.228 3.625 1.00 0.00 N ATOM 819 CA HIS A 49 -8.508 -2.655 4.802 1.00 0.00 C ATOM 820 C HIS A 49 -9.734 -1.794 5.123 1.00 0.00 C ATOM 821 O HIS A 49 -10.703 -2.325 5.659 1.00 0.00 O ATOM 822 CB HIS A 49 -7.590 -2.799 6.018 1.00 0.00 C ATOM 823 CG HIS A 49 -8.217 -3.630 7.109 1.00 0.00 C ATOM 824 ND1 HIS A 49 -8.628 -3.206 8.353 1.00 0.00 N ATOM 825 CD2 HIS A 49 -8.528 -4.958 7.013 1.00 0.00 C ATOM 826 CE1 HIS A 49 -9.178 -4.256 8.987 1.00 0.00 C ATOM 827 NE2 HIS A 49 -9.137 -5.358 8.211 1.00 0.00 N ATOM 0 H HIS A 49 -6.779 -2.000 3.825 1.00 0.00 H new ATOM 0 HA HIS A 49 -8.915 -3.633 4.546 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.650 -3.257 5.710 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -7.350 -1.810 6.409 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -8.337 -5.591 6.159 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.596 -4.222 9.982 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -9.478 -6.290 8.447 1.00 0.00 H new ATOM 835 N GLU A 50 -9.745 -0.506 4.766 1.00 0.00 N ATOM 836 CA GLU A 50 -10.910 0.355 4.994 1.00 0.00 C ATOM 837 C GLU A 50 -12.136 -0.082 4.168 1.00 0.00 C ATOM 838 O GLU A 50 -13.259 0.342 4.455 1.00 0.00 O ATOM 839 CB GLU A 50 -10.561 1.821 4.693 1.00 0.00 C ATOM 840 CG GLU A 50 -9.503 2.388 5.652 1.00 0.00 C ATOM 841 CD GLU A 50 -9.263 3.889 5.396 1.00 0.00 C ATOM 842 OE1 GLU A 50 -8.401 4.238 4.553 1.00 0.00 O ATOM 843 OE2 GLU A 50 -9.925 4.735 6.046 1.00 0.00 O ATOM 0 H GLU A 50 -8.959 -0.036 4.317 1.00 0.00 H new ATOM 0 HA GLU A 50 -11.178 0.256 6.046 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.197 1.900 3.669 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.465 2.426 4.758 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.826 2.240 6.682 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.568 1.842 5.529 1.00 0.00 H new ATOM 850 N GLU A 51 -11.936 -0.935 3.160 1.00 0.00 N ATOM 851 CA GLU A 51 -12.973 -1.545 2.343 1.00 0.00 C ATOM 852 C GLU A 51 -13.019 -3.053 2.627 1.00 0.00 C ATOM 853 O GLU A 51 -14.101 -3.623 2.768 1.00 0.00 O ATOM 854 CB GLU A 51 -12.662 -1.275 0.863 1.00 0.00 C ATOM 855 CG GLU A 51 -12.832 0.210 0.520 1.00 0.00 C ATOM 856 CD GLU A 51 -12.335 0.509 -0.902 1.00 0.00 C ATOM 857 OE1 GLU A 51 -13.097 0.320 -1.879 1.00 0.00 O ATOM 858 OE2 GLU A 51 -11.159 0.909 -1.072 1.00 0.00 O ATOM 0 H GLU A 51 -10.999 -1.229 2.883 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.948 -1.119 2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.642 -1.587 0.641 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.322 -1.873 0.235 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.882 0.489 0.608 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.280 0.818 1.237 1.00 0.00 H new ATOM 865 N GLU A 52 -11.854 -3.697 2.769 1.00 0.00 N ATOM 866 CA GLU A 52 -11.727 -5.113 3.091 1.00 0.00 C ATOM 867 C GLU A 52 -12.386 -5.462 4.433 1.00 0.00 C ATOM 868 O GLU A 52 -12.829 -6.596 4.595 1.00 0.00 O ATOM 869 CB GLU A 52 -10.242 -5.512 3.092 1.00 0.00 C ATOM 870 CG GLU A 52 -9.857 -6.468 1.965 1.00 0.00 C ATOM 871 CD GLU A 52 -10.462 -7.875 2.113 1.00 0.00 C ATOM 872 OE1 GLU A 52 -10.070 -8.624 3.041 1.00 0.00 O ATOM 873 OE2 GLU A 52 -11.304 -8.253 1.261 1.00 0.00 O ATOM 0 H GLU A 52 -10.954 -3.230 2.659 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.254 -5.681 2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.634 -4.611 3.014 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.002 -5.977 4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.178 -6.042 1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.771 -6.551 1.927 1.00 0.00 H new ATOM 880 N GLU A 53 -12.514 -4.525 5.382 1.00 0.00 N ATOM 881 CA GLU A 53 -13.212 -4.772 6.643 1.00 0.00 C ATOM 882 C GLU A 53 -14.671 -5.225 6.433 1.00 0.00 C ATOM 883 O GLU A 53 -15.231 -5.906 7.297 1.00 0.00 O ATOM 884 CB GLU A 53 -13.135 -3.550 7.577 1.00 0.00 C ATOM 885 CG GLU A 53 -13.848 -2.294 7.053 1.00 0.00 C ATOM 886 CD GLU A 53 -13.827 -1.164 8.101 1.00 0.00 C ATOM 887 OE1 GLU A 53 -12.839 -0.391 8.174 1.00 0.00 O ATOM 888 OE2 GLU A 53 -14.814 -1.037 8.870 1.00 0.00 O ATOM 0 H GLU A 53 -12.138 -3.581 5.295 1.00 0.00 H new ATOM 0 HA GLU A 53 -12.694 -5.599 7.128 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.565 -3.820 8.541 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -12.086 -3.309 7.752 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.365 -1.953 6.137 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.879 -2.538 6.798 1.00 0.00 H new ATOM 895 N PHE A 54 -15.281 -4.887 5.289 1.00 0.00 N ATOM 896 CA PHE A 54 -16.634 -5.305 4.938 1.00 0.00 C ATOM 897 C PHE A 54 -16.677 -6.758 4.424 1.00 0.00 C ATOM 898 O PHE A 54 -17.759 -7.337 4.319 1.00 0.00 O ATOM 899 CB PHE A 54 -17.189 -4.332 3.883 1.00 0.00 C ATOM 900 CG PHE A 54 -18.678 -4.454 3.615 1.00 0.00 C ATOM 901 CD1 PHE A 54 -19.605 -3.984 4.566 1.00 0.00 C ATOM 902 CD2 PHE A 54 -19.144 -5.021 2.410 1.00 0.00 C ATOM 903 CE1 PHE A 54 -20.987 -4.091 4.324 1.00 0.00 C ATOM 904 CE2 PHE A 54 -20.526 -5.130 2.169 1.00 0.00 C ATOM 905 CZ PHE A 54 -21.448 -4.662 3.124 1.00 0.00 C ATOM 0 H PHE A 54 -14.838 -4.308 4.576 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.254 -5.278 5.834 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -16.976 -3.312 4.204 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -16.653 -4.491 2.947 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -19.253 -3.539 5.485 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -18.439 -5.372 1.671 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -21.693 -3.735 5.059 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -20.880 -5.573 1.250 1.00 0.00 H new ATOM 0 HZ PHE A 54 -22.508 -4.741 2.936 1.00 0.00 H new ATOM 915 N ALA A 55 -15.521 -7.350 4.086 1.00 0.00 N ATOM 916 CA ALA A 55 -15.427 -8.573 3.291 1.00 0.00 C ATOM 917 C ALA A 55 -14.360 -9.554 3.791 1.00 0.00 C ATOM 918 O ALA A 55 -14.095 -10.561 3.130 1.00 0.00 O ATOM 919 CB ALA A 55 -15.177 -8.181 1.828 1.00 0.00 C ATOM 0 H ALA A 55 -14.612 -6.981 4.365 1.00 0.00 H new ATOM 0 HA ALA A 55 -16.370 -9.110 3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.104 -9.081 1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.003 -7.566 1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.247 -7.617 1.756 1.00 0.00 H new ATOM 925 N VAL A 56 -13.765 -9.301 4.956 1.00 0.00 N ATOM 926 CA VAL A 56 -12.816 -10.187 5.609 1.00 0.00 C ATOM 927 C VAL A 56 -13.569 -11.336 6.302 1.00 0.00 C ATOM 928 O VAL A 56 -13.690 -11.416 7.527 1.00 0.00 O ATOM 929 CB VAL A 56 -11.816 -9.375 6.459 1.00 0.00 C ATOM 930 CG1 VAL A 56 -12.449 -8.507 7.556 1.00 0.00 C ATOM 931 CG2 VAL A 56 -10.757 -10.309 7.047 1.00 0.00 C ATOM 0 H VAL A 56 -13.939 -8.446 5.484 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.172 -10.694 4.890 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.357 -8.662 5.775 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.666 -7.976 8.097 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -13.129 -7.786 7.102 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -13.002 -9.142 8.248 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.054 -9.730 7.646 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.240 -11.057 7.676 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.221 -10.806 6.239 1.00 0.00 H new ATOM 941 N GLU A 57 -14.146 -12.209 5.481 1.00 0.00 N ATOM 942 CA GLU A 57 -15.039 -13.283 5.903 1.00 0.00 C ATOM 943 C GLU A 57 -15.055 -14.404 4.846 1.00 0.00 C ATOM 944 O GLU A 57 -16.067 -15.083 4.646 1.00 0.00 O ATOM 945 CB GLU A 57 -16.431 -12.690 6.193 1.00 0.00 C ATOM 946 CG GLU A 57 -16.987 -11.818 5.054 1.00 0.00 C ATOM 947 CD GLU A 57 -18.526 -11.749 5.090 1.00 0.00 C ATOM 948 OE1 GLU A 57 -19.095 -11.150 6.036 1.00 0.00 O ATOM 949 OE2 GLU A 57 -19.188 -12.283 4.164 1.00 0.00 O ATOM 0 H GLU A 57 -14.000 -12.187 4.472 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.685 -13.744 6.825 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.129 -13.505 6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.378 -12.092 7.103 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.575 -10.812 5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.663 -12.222 4.095 1.00 0.00 H new ATOM 956 N GLY A 58 -13.934 -14.585 4.137 1.00 0.00 N ATOM 957 CA GLY A 58 -13.785 -15.566 3.069 1.00 0.00 C ATOM 958 C GLY A 58 -12.306 -15.815 2.750 1.00 0.00 C ATOM 959 O GLY A 58 -11.428 -15.234 3.401 1.00 0.00 O ATOM 0 H GLY A 58 -13.089 -14.038 4.298 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -14.259 -16.502 3.362 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -14.299 -15.215 2.174 1.00 0.00 H new ATOM 963 N PRO A 59 -12.025 -16.700 1.778 1.00 0.00 N ATOM 964 CA PRO A 59 -10.675 -17.132 1.437 1.00 0.00 C ATOM 965 C PRO A 59 -9.870 -16.029 0.731 1.00 0.00 C ATOM 966 O PRO A 59 -10.410 -15.004 0.302 1.00 0.00 O ATOM 967 CB PRO A 59 -10.870 -18.364 0.543 1.00 0.00 C ATOM 968 CG PRO A 59 -12.213 -18.097 -0.125 1.00 0.00 C ATOM 969 CD PRO A 59 -13.011 -17.392 0.961 1.00 0.00 C ATOM 0 HA PRO A 59 -10.091 -17.365 2.328 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -10.068 -18.462 -0.189 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -10.885 -19.286 1.125 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.104 -17.474 -1.012 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -12.695 -19.022 -0.442 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -13.726 -16.691 0.531 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.582 -18.106 1.555 1.00 0.00 H new ATOM 977 N LEU A 60 -8.576 -16.301 0.540 1.00 0.00 N ATOM 978 CA LEU A 60 -7.662 -15.525 -0.296 1.00 0.00 C ATOM 979 C LEU A 60 -6.839 -16.523 -1.111 1.00 0.00 C ATOM 980 O LEU A 60 -6.635 -17.665 -0.685 1.00 0.00 O ATOM 981 CB LEU A 60 -6.738 -14.659 0.580 1.00 0.00 C ATOM 982 CG LEU A 60 -5.922 -13.588 -0.180 1.00 0.00 C ATOM 983 CD1 LEU A 60 -6.806 -12.543 -0.873 1.00 0.00 C ATOM 984 CD2 LEU A 60 -4.984 -12.863 0.792 1.00 0.00 C ATOM 0 H LEU A 60 -8.121 -17.100 0.982 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.216 -14.854 -0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.344 -14.161 1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.045 -15.315 1.107 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.359 -14.115 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.176 -11.819 -1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.457 -13.038 -1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.414 -12.029 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.411 -12.109 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.572 -12.381 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.301 -13.583 1.244 1.00 0.00 H new ATOM 996 N TRP A 61 -6.354 -16.081 -2.263 1.00 0.00 N ATOM 997 CA TRP A 61 -5.706 -16.895 -3.276 1.00 0.00 C ATOM 998 C TRP A 61 -4.586 -16.061 -3.876 1.00 0.00 C ATOM 999 O TRP A 61 -4.738 -14.841 -3.928 1.00 0.00 O ATOM 1000 CB TRP A 61 -6.752 -17.166 -4.359 1.00 0.00 C ATOM 1001 CG TRP A 61 -7.946 -17.986 -3.977 1.00 0.00 C ATOM 1002 CD1 TRP A 61 -9.081 -17.510 -3.417 1.00 0.00 C ATOM 1003 CD2 TRP A 61 -8.156 -19.414 -4.148 1.00 0.00 C ATOM 1004 NE1 TRP A 61 -9.971 -18.547 -3.214 1.00 0.00 N ATOM 1005 CE2 TRP A 61 -9.451 -19.751 -3.649 1.00 0.00 C ATOM 1006 CE3 TRP A 61 -7.379 -20.454 -4.693 1.00 0.00 C ATOM 1007 CZ2 TRP A 61 -9.940 -21.068 -3.681 1.00 0.00 C ATOM 1008 CZ3 TRP A 61 -7.857 -21.778 -4.729 1.00 0.00 C ATOM 1009 CH2 TRP A 61 -9.132 -22.086 -4.217 1.00 0.00 C ATOM 0 H TRP A 61 -6.405 -15.097 -2.527 1.00 0.00 H new ATOM 0 HA TRP A 61 -5.313 -17.827 -2.871 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -7.109 -16.205 -4.730 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -6.254 -17.664 -5.191 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -9.264 -16.476 -3.166 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -10.895 -18.438 -2.796 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.399 -20.232 -5.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -10.924 -21.295 -3.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -7.243 -22.560 -5.151 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -9.489 -23.105 -4.236 1.00 0.00 H new ATOM 1020 N ILE A 62 -3.493 -16.673 -4.340 1.00 0.00 N ATOM 1021 CA ILE A 62 -2.289 -15.949 -4.741 1.00 0.00 C ATOM 1022 C ILE A 62 -1.775 -16.499 -6.081 1.00 0.00 C ATOM 1023 O ILE A 62 -1.807 -17.710 -6.318 1.00 0.00 O ATOM 1024 CB ILE A 62 -1.182 -16.061 -3.654 1.00 0.00 C ATOM 1025 CG1 ILE A 62 -1.631 -16.071 -2.166 1.00 0.00 C ATOM 1026 CG2 ILE A 62 -0.106 -14.979 -3.872 1.00 0.00 C ATOM 1027 CD1 ILE A 62 -2.206 -14.774 -1.579 1.00 0.00 C ATOM 0 H ILE A 62 -3.420 -17.685 -4.447 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.542 -14.895 -4.857 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.786 -17.065 -3.807 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.382 -16.852 -2.049 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.773 -16.360 -1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.662 -15.070 -3.104 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.347 -15.109 -4.855 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.565 -13.992 -3.811 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.474 -14.935 -0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.459 -13.983 -1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.093 -14.483 -2.141 1.00 0.00 H new ATOM 1039 N GLN A 63 -1.242 -15.606 -6.916 1.00 0.00 N ATOM 1040 CA GLN A 63 -0.423 -15.892 -8.092 1.00 0.00 C ATOM 1041 C GLN A 63 0.722 -14.864 -8.106 1.00 0.00 C ATOM 1042 O GLN A 63 0.535 -13.735 -7.653 1.00 0.00 O ATOM 1043 CB GLN A 63 -1.330 -15.773 -9.335 1.00 0.00 C ATOM 1044 CG GLN A 63 -0.624 -15.932 -10.695 1.00 0.00 C ATOM 1045 CD GLN A 63 -1.550 -15.532 -11.847 1.00 0.00 C ATOM 1046 OE1 GLN A 63 -1.642 -14.357 -12.199 1.00 0.00 O ATOM 1047 NE2 GLN A 63 -2.262 -16.474 -12.450 1.00 0.00 N ATOM 0 H GLN A 63 -1.379 -14.604 -6.780 1.00 0.00 H new ATOM 0 HA GLN A 63 0.007 -16.893 -8.082 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.114 -16.527 -9.263 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.820 -14.800 -9.312 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.275 -15.316 -10.716 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.304 -16.966 -10.824 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.179 -17.446 -12.151 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.893 -16.227 -13.213 1.00 0.00 H new ATOM 1056 N VAL A 64 1.890 -15.202 -8.651 1.00 0.00 N ATOM 1057 CA VAL A 64 2.996 -14.261 -8.821 1.00 0.00 C ATOM 1058 C VAL A 64 3.681 -14.530 -10.168 1.00 0.00 C ATOM 1059 O VAL A 64 3.600 -15.650 -10.684 1.00 0.00 O ATOM 1060 CB VAL A 64 3.953 -14.344 -7.615 1.00 0.00 C ATOM 1061 CG1 VAL A 64 4.716 -15.674 -7.508 1.00 0.00 C ATOM 1062 CG2 VAL A 64 4.954 -13.183 -7.638 1.00 0.00 C ATOM 0 H VAL A 64 2.097 -16.142 -8.989 1.00 0.00 H new ATOM 0 HA VAL A 64 2.631 -13.234 -8.846 1.00 0.00 H new ATOM 0 HB VAL A 64 3.313 -14.278 -6.735 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.367 -15.651 -6.634 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.005 -16.494 -7.409 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.318 -15.821 -8.405 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.620 -13.260 -6.779 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.540 -13.226 -8.556 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.415 -12.237 -7.595 1.00 0.00 H new ATOM 1072 N GLN A 65 4.399 -13.544 -10.712 1.00 0.00 N ATOM 1073 CA GLN A 65 5.454 -13.768 -11.680 1.00 0.00 C ATOM 1074 C GLN A 65 6.570 -12.778 -11.366 1.00 0.00 C ATOM 1075 O GLN A 65 6.297 -11.692 -10.850 1.00 0.00 O ATOM 1076 CB GLN A 65 4.945 -13.596 -13.119 1.00 0.00 C ATOM 1077 CG GLN A 65 4.155 -12.305 -13.402 1.00 0.00 C ATOM 1078 CD GLN A 65 2.649 -12.502 -13.268 1.00 0.00 C ATOM 1079 OE1 GLN A 65 1.994 -13.038 -14.159 1.00 0.00 O ATOM 1080 NE2 GLN A 65 2.055 -12.075 -12.169 1.00 0.00 N ATOM 0 H GLN A 65 4.256 -12.560 -10.484 1.00 0.00 H new ATOM 0 HA GLN A 65 5.820 -14.792 -11.610 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.801 -13.631 -13.793 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.311 -14.448 -13.364 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.479 -11.526 -12.712 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.385 -11.955 -14.409 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.603 -11.631 -11.433 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.048 -12.189 -12.056 1.00 0.00 H new ATOM 1089 N ALA A 66 7.810 -13.133 -11.693 1.00 0.00 N ATOM 1090 CA ALA A 66 8.955 -12.244 -11.552 1.00 0.00 C ATOM 1091 C ALA A 66 9.249 -11.592 -12.907 1.00 0.00 C ATOM 1092 O ALA A 66 9.063 -12.197 -13.966 1.00 0.00 O ATOM 1093 CB ALA A 66 10.154 -13.017 -10.988 1.00 0.00 C ATOM 0 H ALA A 66 8.048 -14.052 -12.066 1.00 0.00 H new ATOM 0 HA ALA A 66 8.738 -11.446 -10.841 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.005 -12.344 -10.886 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.896 -13.426 -10.011 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.414 -13.831 -11.665 1.00 0.00 H new ATOM 1099 N LEU A 67 9.689 -10.341 -12.845 1.00 0.00 N ATOM 1100 CA LEU A 67 9.947 -9.410 -13.935 1.00 0.00 C ATOM 1101 C LEU A 67 11.402 -8.936 -13.810 1.00 0.00 C ATOM 1102 O LEU A 67 12.164 -9.469 -13.000 1.00 0.00 O ATOM 1103 CB LEU A 67 8.934 -8.245 -13.847 1.00 0.00 C ATOM 1104 CG LEU A 67 7.476 -8.702 -14.071 1.00 0.00 C ATOM 1105 CD1 LEU A 67 6.753 -8.943 -12.761 1.00 0.00 C ATOM 1106 CD2 LEU A 67 6.665 -7.657 -14.831 1.00 0.00 C ATOM 0 H LEU A 67 9.894 -9.912 -11.942 1.00 0.00 H new ATOM 0 HA LEU A 67 9.820 -9.876 -14.912 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.015 -7.772 -12.868 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.191 -7.489 -14.589 1.00 0.00 H new ATOM 0 HG LEU A 67 7.549 -9.626 -14.645 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.731 -9.263 -12.963 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.271 -9.718 -12.197 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.736 -8.021 -12.180 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.645 -8.017 -14.968 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.648 -6.726 -14.264 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.121 -7.480 -15.805 1.00 0.00 H new ATOM 1118 N ASP A 68 11.821 -7.954 -14.617 1.00 0.00 N ATOM 1119 CA ASP A 68 13.245 -7.619 -14.756 1.00 0.00 C ATOM 1120 C ASP A 68 13.894 -7.160 -13.444 1.00 0.00 C ATOM 1121 O ASP A 68 15.037 -7.539 -13.183 1.00 0.00 O ATOM 1122 CB ASP A 68 13.464 -6.572 -15.855 1.00 0.00 C ATOM 1123 CG ASP A 68 14.966 -6.421 -16.160 1.00 0.00 C ATOM 1124 OD1 ASP A 68 15.563 -7.361 -16.741 1.00 0.00 O ATOM 1125 OD2 ASP A 68 15.558 -5.365 -15.837 1.00 0.00 O ATOM 0 H ASP A 68 11.197 -7.378 -15.183 1.00 0.00 H new ATOM 0 HA ASP A 68 13.741 -8.546 -15.043 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.931 -6.867 -16.759 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.052 -5.613 -15.540 1.00 0.00 H new ATOM 1130 N LYS A 69 13.171 -6.392 -12.608 1.00 0.00 N ATOM 1131 CA LYS A 69 13.673 -5.854 -11.325 1.00 0.00 C ATOM 1132 C LYS A 69 12.609 -5.884 -10.216 1.00 0.00 C ATOM 1133 O LYS A 69 12.649 -5.085 -9.278 1.00 0.00 O ATOM 1134 CB LYS A 69 14.233 -4.434 -11.510 1.00 0.00 C ATOM 1135 CG LYS A 69 15.449 -4.342 -12.435 1.00 0.00 C ATOM 1136 CD LYS A 69 16.697 -5.073 -11.905 1.00 0.00 C ATOM 1137 CE LYS A 69 17.897 -4.881 -12.845 1.00 0.00 C ATOM 1138 NZ LYS A 69 17.753 -5.638 -14.116 1.00 0.00 N ATOM 0 H LYS A 69 12.207 -6.122 -12.806 1.00 0.00 H new ATOM 0 HA LYS A 69 14.482 -6.509 -11.002 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.443 -3.795 -11.906 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.506 -4.035 -10.533 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.184 -4.756 -13.408 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.695 -3.292 -12.591 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.946 -4.698 -10.912 1.00 0.00 H new ATOM 0 HD3 LYS A 69 16.481 -6.136 -11.800 1.00 0.00 H new ATOM 0 HE2 LYS A 69 18.013 -3.821 -13.069 1.00 0.00 H new ATOM 0 HE3 LYS A 69 18.807 -5.201 -12.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.572 -5.448 -14.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.704 -6.656 -13.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.882 -5.340 -14.601 1.00 0.00 H new ATOM 1152 N GLY A 70 11.634 -6.783 -10.308 1.00 0.00 N ATOM 1153 CA GLY A 70 10.541 -6.862 -9.353 1.00 0.00 C ATOM 1154 C GLY A 70 9.635 -8.033 -9.677 1.00 0.00 C ATOM 1155 O GLY A 70 9.974 -8.861 -10.518 1.00 0.00 O ATOM 0 H GLY A 70 11.582 -7.479 -11.052 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.939 -6.971 -8.344 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.967 -5.935 -9.371 1.00 0.00 H new ATOM 1159 N LEU A 71 8.474 -8.100 -9.036 1.00 0.00 N ATOM 1160 CA LEU A 71 7.460 -9.130 -9.255 1.00 0.00 C ATOM 1161 C LEU A 71 6.094 -8.468 -9.345 1.00 0.00 C ATOM 1162 O LEU A 71 5.831 -7.510 -8.625 1.00 0.00 O ATOM 1163 CB LEU A 71 7.439 -10.153 -8.108 1.00 0.00 C ATOM 1164 CG LEU A 71 8.782 -10.871 -7.875 1.00 0.00 C ATOM 1165 CD1 LEU A 71 9.387 -10.387 -6.552 1.00 0.00 C ATOM 1166 CD2 LEU A 71 8.611 -12.389 -7.879 1.00 0.00 C ATOM 0 H LEU A 71 8.202 -7.419 -8.327 1.00 0.00 H new ATOM 0 HA LEU A 71 7.701 -9.654 -10.180 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.148 -9.645 -7.189 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.673 -10.899 -8.316 1.00 0.00 H new ATOM 0 HG LEU A 71 9.461 -10.627 -8.692 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.338 -10.891 -6.381 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.550 -9.310 -6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.703 -10.615 -5.734 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.578 -12.864 -7.712 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.922 -12.680 -7.086 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.211 -12.708 -8.842 1.00 0.00 H new ATOM 1178 N GLU A 72 5.211 -9.007 -10.180 1.00 0.00 N ATOM 1179 CA GLU A 72 3.777 -8.738 -10.109 1.00 0.00 C ATOM 1180 C GLU A 72 3.147 -9.890 -9.353 1.00 0.00 C ATOM 1181 O GLU A 72 3.322 -11.050 -9.739 1.00 0.00 O ATOM 1182 CB GLU A 72 3.072 -8.657 -11.473 1.00 0.00 C ATOM 1183 CG GLU A 72 3.226 -7.332 -12.224 1.00 0.00 C ATOM 1184 CD GLU A 72 2.360 -7.342 -13.496 1.00 0.00 C ATOM 1185 OE1 GLU A 72 1.171 -6.949 -13.420 1.00 0.00 O ATOM 1186 OE2 GLU A 72 2.853 -7.744 -14.577 1.00 0.00 O ATOM 0 H GLU A 72 5.471 -9.647 -10.930 1.00 0.00 H new ATOM 0 HA GLU A 72 3.660 -7.765 -9.632 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.453 -9.458 -12.106 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.009 -8.847 -11.323 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.931 -6.504 -11.580 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.272 -7.174 -12.488 1.00 0.00 H new ATOM 1193 N ILE A 73 2.364 -9.557 -8.337 1.00 0.00 N ATOM 1194 CA ILE A 73 1.640 -10.491 -7.509 1.00 0.00 C ATOM 1195 C ILE A 73 0.161 -10.163 -7.739 1.00 0.00 C ATOM 1196 O ILE A 73 -0.243 -9.006 -7.633 1.00 0.00 O ATOM 1197 CB ILE A 73 2.013 -10.328 -6.014 1.00 0.00 C ATOM 1198 CG1 ILE A 73 3.496 -10.356 -5.555 1.00 0.00 C ATOM 1199 CG2 ILE A 73 1.301 -11.425 -5.204 1.00 0.00 C ATOM 1200 CD1 ILE A 73 4.423 -9.290 -6.142 1.00 0.00 C ATOM 0 H ILE A 73 2.214 -8.586 -8.062 1.00 0.00 H new ATOM 0 HA ILE A 73 1.878 -11.523 -7.766 1.00 0.00 H new ATOM 0 HB ILE A 73 1.703 -9.298 -5.838 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.517 -10.263 -4.469 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.908 -11.335 -5.799 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.555 -11.321 -4.149 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.223 -11.327 -5.329 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.620 -12.405 -5.560 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.428 -9.421 -5.741 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.450 -9.389 -7.227 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.053 -8.300 -5.877 1.00 0.00 H new ATOM 1212 N ILE A 74 -0.646 -11.167 -8.059 1.00 0.00 N ATOM 1213 CA ILE A 74 -2.100 -11.072 -8.179 1.00 0.00 C ATOM 1214 C ILE A 74 -2.647 -11.852 -6.978 1.00 0.00 C ATOM 1215 O ILE A 74 -2.112 -12.910 -6.645 1.00 0.00 O ATOM 1216 CB ILE A 74 -2.563 -11.668 -9.537 1.00 0.00 C ATOM 1217 CG1 ILE A 74 -2.202 -10.859 -10.807 1.00 0.00 C ATOM 1218 CG2 ILE A 74 -4.091 -11.851 -9.578 1.00 0.00 C ATOM 1219 CD1 ILE A 74 -0.714 -10.600 -11.045 1.00 0.00 C ATOM 0 H ILE A 74 -0.295 -12.106 -8.250 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.464 -10.045 -8.170 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.012 -12.608 -9.570 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -2.600 -11.387 -11.674 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.713 -9.897 -10.757 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.382 -12.270 -10.542 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.398 -12.528 -8.781 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.577 -10.885 -9.441 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.587 -10.026 -11.963 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.304 -10.039 -10.206 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.189 -11.551 -11.137 1.00 0.00 H new ATOM 1231 N VAL A 75 -3.730 -11.385 -6.357 1.00 0.00 N ATOM 1232 CA VAL A 75 -4.431 -12.135 -5.326 1.00 0.00 C ATOM 1233 C VAL A 75 -5.933 -12.089 -5.601 1.00 0.00 C ATOM 1234 O VAL A 75 -6.457 -11.047 -5.997 1.00 0.00 O ATOM 1235 CB VAL A 75 -4.027 -11.695 -3.905 1.00 0.00 C ATOM 1236 CG1 VAL A 75 -2.566 -12.011 -3.591 1.00 0.00 C ATOM 1237 CG2 VAL A 75 -4.162 -10.205 -3.653 1.00 0.00 C ATOM 0 H VAL A 75 -4.143 -10.474 -6.558 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.130 -13.182 -5.368 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.719 -12.255 -3.276 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.332 -11.681 -2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.401 -13.086 -3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.921 -11.492 -4.300 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.858 -9.980 -2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.526 -9.659 -4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.200 -9.904 -3.798 1.00 0.00 H new ATOM 1247 N THR A 76 -6.610 -13.229 -5.456 1.00 0.00 N ATOM 1248 CA THR A 76 -7.920 -13.488 -6.052 1.00 0.00 C ATOM 1249 C THR A 76 -8.899 -13.978 -4.980 1.00 0.00 C ATOM 1250 O THR A 76 -8.505 -14.206 -3.830 1.00 0.00 O ATOM 1251 CB THR A 76 -7.788 -14.467 -7.253 1.00 0.00 C ATOM 1252 OG1 THR A 76 -7.688 -15.821 -6.885 1.00 0.00 O ATOM 1253 CG2 THR A 76 -6.554 -14.227 -8.133 1.00 0.00 C ATOM 0 H THR A 76 -6.255 -14.014 -4.910 1.00 0.00 H new ATOM 0 HA THR A 76 -8.330 -12.561 -6.454 1.00 0.00 H new ATOM 0 HB THR A 76 -8.713 -14.260 -7.792 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.610 -16.374 -7.690 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.540 -14.953 -8.946 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.593 -13.219 -8.547 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.651 -14.338 -7.532 1.00 0.00 H new ATOM 1261 N LYS A 77 -10.176 -14.154 -5.343 1.00 0.00 N ATOM 1262 CA LYS A 77 -11.201 -14.793 -4.519 1.00 0.00 C ATOM 1263 C LYS A 77 -11.942 -15.857 -5.330 1.00 0.00 C ATOM 1264 O LYS A 77 -11.695 -16.040 -6.520 1.00 0.00 O ATOM 1265 CB LYS A 77 -12.136 -13.738 -3.916 1.00 0.00 C ATOM 1266 CG LYS A 77 -11.318 -12.780 -3.046 1.00 0.00 C ATOM 1267 CD LYS A 77 -12.232 -12.033 -2.081 1.00 0.00 C ATOM 1268 CE LYS A 77 -11.507 -10.878 -1.366 1.00 0.00 C ATOM 1269 NZ LYS A 77 -12.269 -10.387 -0.184 1.00 0.00 N ATOM 0 H LYS A 77 -10.532 -13.845 -6.247 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.730 -15.307 -3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.641 -13.187 -4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.910 -14.220 -3.319 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.565 -13.337 -2.488 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.785 -12.069 -3.677 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.089 -11.639 -2.627 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.621 -12.730 -1.339 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.519 -11.212 -1.047 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.355 -10.057 -2.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.754 -9.599 0.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.208 -10.060 -0.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.377 -11.159 0.504 1.00 0.00 H new