USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 645 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 69 SER OG : rot -19:sc= -0.0133 USER MOD Set 1.2: A 74 HIS : no HD1:sc= -1.14 K(o=-1.2,f=-2.5!) USER MOD Set 2.1: A 43 THR OG1 : rot 180:sc= -0.489 USER MOD Set 2.2: A 62 CYS SG : rot -140:sc= -2.04 USER MOD Single : A 1 MET CE :methyl -157:sc= -0.0676 (180deg=-0.681) USER MOD Single : A 1 MET N :NH3+ 179:sc= -0.511 (180deg=-0.544) USER MOD Single : A 2 ASN : amide:sc= -1.62! K(o=-1.6!,f=-0.028) USER MOD Single : A 5 HIS : no HD1:sc= -0.849 X(o=-0.85,f=-0.45) USER MOD Single : A 6 TYR OH : rot 150:sc= 0.0642 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -4.48! C(o=-4.5!,f=-6.9!) USER MOD Single : A 16 GLN : amide:sc= -0.152 K(o=-0.15,f=-0.84) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 165:sc= -0.0365 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 78:sc= 0.633 USER MOD Single : A 59 SER OG : rot -36:sc= 0.519 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -3.4! C(o=-3.4!,f=-1.4!) USER MOD Single : A 76 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.877 -4.738 -13.031 1.00 0.00 N ATOM 2 CA MET A 1 5.686 -4.501 -11.804 1.00 0.00 C ATOM 3 C MET A 1 6.237 -3.074 -11.847 1.00 0.00 C ATOM 4 O MET A 1 7.335 -2.797 -11.403 1.00 0.00 O ATOM 5 CB MET A 1 6.836 -5.512 -11.749 1.00 0.00 C ATOM 6 CG MET A 1 6.265 -6.909 -11.489 1.00 0.00 C ATOM 7 SD MET A 1 7.619 -8.107 -11.359 1.00 0.00 S ATOM 8 CE MET A 1 8.096 -8.134 -13.106 1.00 0.00 C ATOM 0 H1 MET A 1 4.510 -5.711 -13.022 1.00 0.00 H new ATOM 0 H2 MET A 1 4.082 -4.068 -13.057 1.00 0.00 H new ATOM 0 H3 MET A 1 5.473 -4.600 -13.872 1.00 0.00 H new ATOM 0 HA MET A 1 5.068 -4.625 -10.915 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.391 -5.501 -12.687 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.538 -5.240 -10.961 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.678 -6.908 -10.570 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.591 -7.193 -12.297 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.612 -9.068 -13.328 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.204 -8.055 -13.728 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.760 -7.295 -13.315 1.00 0.00 H new ATOM 20 N ASN A 2 5.474 -2.165 -12.398 1.00 0.00 N ATOM 21 CA ASN A 2 5.932 -0.749 -12.492 1.00 0.00 C ATOM 22 C ASN A 2 5.672 -0.032 -11.169 1.00 0.00 C ATOM 23 O ASN A 2 4.695 -0.286 -10.490 1.00 0.00 O ATOM 24 CB ASN A 2 5.169 -0.042 -13.610 1.00 0.00 C ATOM 25 CG ASN A 2 5.563 -0.645 -14.960 1.00 0.00 C ATOM 26 OD1 ASN A 2 4.861 -0.478 -15.937 1.00 0.00 O ATOM 27 ND2 ASN A 2 6.659 -1.348 -15.057 1.00 0.00 N ATOM 0 H ASN A 2 4.549 -2.345 -12.788 1.00 0.00 H new ATOM 0 HA ASN A 2 7.000 -0.730 -12.708 1.00 0.00 H new ATOM 0 HB2 ASN A 2 4.095 -0.146 -13.453 1.00 0.00 H new ATOM 0 HB3 ASN A 2 5.392 1.025 -13.598 1.00 0.00 H new ATOM 0 HD21 ASN A 2 6.925 -1.757 -15.953 1.00 0.00 H new ATOM 0 HD22 ASN A 2 7.249 -1.489 -14.237 1.00 0.00 H new ATOM 34 N VAL A 3 6.552 0.867 -10.792 1.00 0.00 N ATOM 35 CA VAL A 3 6.386 1.613 -9.508 1.00 0.00 C ATOM 36 C VAL A 3 6.011 3.067 -9.790 1.00 0.00 C ATOM 37 O VAL A 3 6.625 3.744 -10.593 1.00 0.00 O ATOM 38 CB VAL A 3 7.693 1.559 -8.716 1.00 0.00 C ATOM 39 CG1 VAL A 3 7.902 0.134 -8.212 1.00 0.00 C ATOM 40 CG2 VAL A 3 8.869 1.959 -9.614 1.00 0.00 C ATOM 0 H VAL A 3 7.385 1.116 -11.326 1.00 0.00 H new ATOM 0 HA VAL A 3 5.589 1.151 -8.926 1.00 0.00 H new ATOM 0 HB VAL A 3 7.639 2.251 -7.876 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.831 0.081 -7.645 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.069 -0.151 -7.570 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.956 -0.548 -9.061 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.795 1.917 -9.041 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.933 1.271 -10.457 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.716 2.973 -9.983 1.00 0.00 H new ATOM 50 N ALA A 4 4.990 3.548 -9.128 1.00 0.00 N ATOM 51 CA ALA A 4 4.542 4.953 -9.335 1.00 0.00 C ATOM 52 C ALA A 4 5.228 5.862 -8.318 1.00 0.00 C ATOM 53 O ALA A 4 5.638 5.430 -7.258 1.00 0.00 O ATOM 54 CB ALA A 4 3.029 5.028 -9.136 1.00 0.00 C ATOM 0 H ALA A 4 4.444 3.020 -8.447 1.00 0.00 H new ATOM 0 HA ALA A 4 4.801 5.275 -10.344 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.693 6.054 -9.286 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.535 4.375 -9.856 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.779 4.708 -8.124 1.00 0.00 H new ATOM 60 N HIS A 5 5.356 7.126 -8.639 1.00 0.00 N ATOM 61 CA HIS A 5 6.018 8.089 -7.708 1.00 0.00 C ATOM 62 C HIS A 5 4.982 9.045 -7.125 1.00 0.00 C ATOM 63 O HIS A 5 4.072 9.489 -7.798 1.00 0.00 O ATOM 64 CB HIS A 5 7.062 8.892 -8.481 1.00 0.00 C ATOM 65 CG HIS A 5 8.194 7.987 -8.887 1.00 0.00 C ATOM 66 ND1 HIS A 5 9.239 8.426 -9.682 1.00 0.00 N ATOM 67 CD2 HIS A 5 8.460 6.667 -8.613 1.00 0.00 C ATOM 68 CE1 HIS A 5 10.077 7.389 -9.860 1.00 0.00 C ATOM 69 NE2 HIS A 5 9.649 6.292 -9.227 1.00 0.00 N ATOM 0 H HIS A 5 5.027 7.534 -9.514 1.00 0.00 H new ATOM 0 HA HIS A 5 6.494 7.538 -6.897 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.609 9.343 -9.364 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.438 9.708 -7.864 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.839 6.019 -8.012 1.00 0.00 H new ATOM 0 HE1 HIS A 5 10.985 7.437 -10.443 1.00 0.00 H new ATOM 0 HE2 HIS A 5 10.098 5.377 -9.200 1.00 0.00 H new ATOM 77 N TYR A 6 5.123 9.374 -5.869 1.00 0.00 N ATOM 78 CA TYR A 6 4.161 10.309 -5.225 1.00 0.00 C ATOM 79 C TYR A 6 4.855 11.024 -4.062 1.00 0.00 C ATOM 80 O TYR A 6 5.371 10.407 -3.149 1.00 0.00 O ATOM 81 CB TYR A 6 2.948 9.532 -4.714 1.00 0.00 C ATOM 82 CG TYR A 6 1.935 10.501 -4.146 1.00 0.00 C ATOM 83 CD1 TYR A 6 1.212 11.339 -5.006 1.00 0.00 C ATOM 84 CD2 TYR A 6 1.720 10.566 -2.763 1.00 0.00 C ATOM 85 CE1 TYR A 6 0.276 12.238 -4.483 1.00 0.00 C ATOM 86 CE2 TYR A 6 0.784 11.465 -2.242 1.00 0.00 C ATOM 87 CZ TYR A 6 0.062 12.301 -3.102 1.00 0.00 C ATOM 88 OH TYR A 6 -0.862 13.189 -2.589 1.00 0.00 O ATOM 0 H TYR A 6 5.867 9.033 -5.260 1.00 0.00 H new ATOM 0 HA TYR A 6 3.824 11.047 -5.953 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.502 8.957 -5.525 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.255 8.819 -3.949 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.377 11.291 -6.072 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.277 9.922 -2.099 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -0.281 12.883 -5.146 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.618 11.514 -1.176 1.00 0.00 H new ATOM 0 HH TYR A 6 -1.244 12.823 -1.764 1.00 0.00 H new ATOM 98 N ARG A 7 4.878 12.329 -4.105 1.00 0.00 N ATOM 99 CA ARG A 7 5.544 13.126 -3.031 1.00 0.00 C ATOM 100 C ARG A 7 6.998 12.668 -2.860 1.00 0.00 C ATOM 101 O ARG A 7 7.597 12.823 -1.812 1.00 0.00 O ATOM 102 CB ARG A 7 4.783 12.975 -1.710 1.00 0.00 C ATOM 103 CG ARG A 7 3.442 13.702 -1.815 1.00 0.00 C ATOM 104 CD ARG A 7 2.685 13.567 -0.494 1.00 0.00 C ATOM 105 NE ARG A 7 1.355 14.243 -0.600 1.00 0.00 N ATOM 106 CZ ARG A 7 1.228 15.515 -0.320 1.00 0.00 C ATOM 107 NH1 ARG A 7 2.266 16.219 0.043 1.00 0.00 N ATOM 108 NH2 ARG A 7 0.057 16.081 -0.405 1.00 0.00 N ATOM 0 H ARG A 7 4.458 12.886 -4.849 1.00 0.00 H new ATOM 0 HA ARG A 7 5.538 14.177 -3.319 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.622 11.920 -1.488 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.370 13.387 -0.889 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.604 14.754 -2.048 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.851 13.283 -2.629 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.549 12.514 -0.248 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.265 14.011 0.315 1.00 0.00 H new ATOM 0 HE ARG A 7 0.538 13.707 -0.894 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.183 15.778 0.110 1.00 0.00 H new ATOM 0 HH12 ARG A 7 2.160 17.210 0.260 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.755 15.533 -0.689 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.047 17.072 -0.188 1.00 0.00 H new ATOM 122 N GLY A 8 7.575 12.124 -3.898 1.00 0.00 N ATOM 123 CA GLY A 8 8.994 11.670 -3.819 1.00 0.00 C ATOM 124 C GLY A 8 9.057 10.244 -3.273 1.00 0.00 C ATOM 125 O GLY A 8 10.121 9.731 -2.977 1.00 0.00 O ATOM 0 H GLY A 8 7.123 11.974 -4.800 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.453 11.711 -4.807 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.564 12.340 -3.175 1.00 0.00 H new ATOM 129 N TYR A 9 7.926 9.599 -3.129 1.00 0.00 N ATOM 130 CA TYR A 9 7.908 8.200 -2.595 1.00 0.00 C ATOM 131 C TYR A 9 7.507 7.218 -3.695 1.00 0.00 C ATOM 132 O TYR A 9 6.670 7.498 -4.532 1.00 0.00 O ATOM 133 CB TYR A 9 6.908 8.113 -1.444 1.00 0.00 C ATOM 134 CG TYR A 9 7.419 8.931 -0.284 1.00 0.00 C ATOM 135 CD1 TYR A 9 7.161 10.306 -0.226 1.00 0.00 C ATOM 136 CD2 TYR A 9 8.151 8.314 0.737 1.00 0.00 C ATOM 137 CE1 TYR A 9 7.637 11.063 0.850 1.00 0.00 C ATOM 138 CE2 TYR A 9 8.627 9.070 1.814 1.00 0.00 C ATOM 139 CZ TYR A 9 8.368 10.446 1.872 1.00 0.00 C ATOM 140 OH TYR A 9 8.835 11.190 2.935 1.00 0.00 O ATOM 0 H TYR A 9 7.009 9.982 -3.359 1.00 0.00 H new ATOM 0 HA TYR A 9 8.905 7.942 -2.239 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.933 8.482 -1.764 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.772 7.075 -1.141 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.594 10.782 -1.012 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.349 7.253 0.694 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.440 12.124 0.892 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.194 8.593 2.600 1.00 0.00 H new ATOM 0 HH TYR A 9 9.321 10.606 3.554 1.00 0.00 H new ATOM 150 N GLU A 10 8.108 6.056 -3.694 1.00 0.00 N ATOM 151 CA GLU A 10 7.784 5.031 -4.726 1.00 0.00 C ATOM 152 C GLU A 10 6.677 4.121 -4.207 1.00 0.00 C ATOM 153 O GLU A 10 6.629 3.783 -3.039 1.00 0.00 O ATOM 154 CB GLU A 10 9.031 4.197 -5.015 1.00 0.00 C ATOM 155 CG GLU A 10 10.065 5.064 -5.732 1.00 0.00 C ATOM 156 CD GLU A 10 11.343 4.255 -5.962 1.00 0.00 C ATOM 157 OE1 GLU A 10 11.369 3.102 -5.564 1.00 0.00 O ATOM 158 OE2 GLU A 10 12.272 4.803 -6.529 1.00 0.00 O ATOM 0 H GLU A 10 8.815 5.773 -3.016 1.00 0.00 H new ATOM 0 HA GLU A 10 7.451 5.524 -5.640 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.447 3.810 -4.085 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.772 3.336 -5.631 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.666 5.411 -6.685 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.286 5.951 -5.138 1.00 0.00 H new ATOM 165 N ILE A 11 5.778 3.722 -5.073 1.00 0.00 N ATOM 166 CA ILE A 11 4.657 2.829 -4.656 1.00 0.00 C ATOM 167 C ILE A 11 4.671 1.560 -5.504 1.00 0.00 C ATOM 168 O ILE A 11 4.750 1.607 -6.718 1.00 0.00 O ATOM 169 CB ILE A 11 3.332 3.566 -4.844 1.00 0.00 C ATOM 170 CG1 ILE A 11 3.286 4.754 -3.875 1.00 0.00 C ATOM 171 CG2 ILE A 11 2.171 2.615 -4.550 1.00 0.00 C ATOM 172 CD1 ILE A 11 2.088 5.646 -4.201 1.00 0.00 C ATOM 0 H ILE A 11 5.775 3.980 -6.060 1.00 0.00 H new ATOM 0 HA ILE A 11 4.774 2.556 -3.607 1.00 0.00 H new ATOM 0 HB ILE A 11 3.247 3.923 -5.870 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.214 4.395 -2.849 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.209 5.329 -3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.226 3.142 -4.684 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.214 1.767 -5.233 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.244 2.258 -3.523 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.062 6.488 -3.509 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.179 6.018 -5.221 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.168 5.069 -4.106 1.00 0.00 H new ATOM 184 N GLU A 12 4.599 0.418 -4.864 1.00 0.00 N ATOM 185 CA GLU A 12 4.605 -0.882 -5.601 1.00 0.00 C ATOM 186 C GLU A 12 3.307 -1.644 -5.271 1.00 0.00 C ATOM 187 O GLU A 12 3.233 -2.324 -4.269 1.00 0.00 O ATOM 188 CB GLU A 12 5.811 -1.712 -5.151 1.00 0.00 C ATOM 189 CG GLU A 12 6.077 -2.812 -6.182 1.00 0.00 C ATOM 190 CD GLU A 12 7.109 -3.796 -5.635 1.00 0.00 C ATOM 191 OE1 GLU A 12 8.129 -3.340 -5.146 1.00 0.00 O ATOM 192 OE2 GLU A 12 6.863 -4.987 -5.717 1.00 0.00 O ATOM 0 H GLU A 12 4.536 0.332 -3.850 1.00 0.00 H new ATOM 0 HA GLU A 12 4.668 -0.703 -6.674 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.689 -1.074 -5.047 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.620 -2.152 -4.172 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.150 -3.336 -6.416 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.438 -2.372 -7.112 1.00 0.00 H new ATOM 199 N PRO A 13 2.283 -1.509 -6.086 1.00 0.00 N ATOM 200 CA PRO A 13 0.970 -2.176 -5.845 1.00 0.00 C ATOM 201 C PRO A 13 0.971 -3.660 -6.225 1.00 0.00 C ATOM 202 O PRO A 13 1.653 -4.087 -7.139 1.00 0.00 O ATOM 203 CB PRO A 13 0.005 -1.369 -6.722 1.00 0.00 C ATOM 204 CG PRO A 13 0.837 -0.901 -7.872 1.00 0.00 C ATOM 205 CD PRO A 13 2.262 -0.721 -7.332 1.00 0.00 C ATOM 0 HA PRO A 13 0.700 -2.181 -4.789 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.829 -1.983 -7.061 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.420 -0.529 -6.173 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.819 -1.627 -8.685 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.452 0.037 -8.273 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.005 -1.082 -8.043 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.486 0.329 -7.142 1.00 0.00 H new ATOM 213 N GLY A 14 0.197 -4.449 -5.530 1.00 0.00 N ATOM 214 CA GLY A 14 0.129 -5.902 -5.842 1.00 0.00 C ATOM 215 C GLY A 14 -0.746 -6.595 -4.797 1.00 0.00 C ATOM 216 O GLY A 14 -0.428 -6.634 -3.623 1.00 0.00 O ATOM 0 H GLY A 14 -0.394 -4.146 -4.756 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.284 -6.054 -6.839 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.130 -6.334 -5.842 1.00 0.00 H new ATOM 220 N HIS A 15 -1.861 -7.126 -5.218 1.00 0.00 N ATOM 221 CA HIS A 15 -2.790 -7.804 -4.270 1.00 0.00 C ATOM 222 C HIS A 15 -2.072 -8.903 -3.491 1.00 0.00 C ATOM 223 O HIS A 15 -1.312 -9.680 -4.037 1.00 0.00 O ATOM 224 CB HIS A 15 -3.945 -8.417 -5.060 1.00 0.00 C ATOM 225 CG HIS A 15 -3.412 -9.462 -6.006 1.00 0.00 C ATOM 226 ND1 HIS A 15 -2.740 -9.131 -7.175 1.00 0.00 N ATOM 227 CD2 HIS A 15 -3.449 -10.835 -5.973 1.00 0.00 C ATOM 228 CE1 HIS A 15 -2.406 -10.280 -7.789 1.00 0.00 C ATOM 229 NE2 HIS A 15 -2.813 -11.349 -7.100 1.00 0.00 N ATOM 0 H HIS A 15 -2.171 -7.119 -6.190 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.163 -7.067 -3.559 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.668 -8.864 -4.378 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -4.470 -7.641 -5.617 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.903 -11.426 -5.191 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -1.873 -10.332 -8.727 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -2.685 -12.331 -7.346 1.00 0.00 H new ATOM 237 N GLN A 16 -2.324 -8.981 -2.211 1.00 0.00 N ATOM 238 CA GLN A 16 -1.676 -10.033 -1.387 1.00 0.00 C ATOM 239 C GLN A 16 -2.560 -10.346 -0.180 1.00 0.00 C ATOM 240 O GLN A 16 -3.275 -9.496 0.327 1.00 0.00 O ATOM 241 CB GLN A 16 -0.309 -9.542 -0.907 1.00 0.00 C ATOM 242 CG GLN A 16 0.414 -10.658 -0.141 1.00 0.00 C ATOM 243 CD GLN A 16 0.700 -11.823 -1.089 1.00 0.00 C ATOM 244 OE1 GLN A 16 1.061 -11.616 -2.232 1.00 0.00 O ATOM 245 NE2 GLN A 16 0.546 -13.046 -0.665 1.00 0.00 N ATOM 0 H GLN A 16 -2.952 -8.358 -1.703 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.544 -10.934 -1.986 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.293 -9.227 -1.760 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.432 -8.670 -0.264 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.346 -10.280 0.280 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.199 -10.997 0.694 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.243 -13.219 0.294 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.728 -13.830 -1.292 1.00 0.00 H new ATOM 254 N TYR A 17 -2.515 -11.572 0.284 1.00 0.00 N ATOM 255 CA TYR A 17 -3.342 -11.975 1.460 1.00 0.00 C ATOM 256 C TYR A 17 -2.458 -12.144 2.689 1.00 0.00 C ATOM 257 O TYR A 17 -1.405 -12.752 2.644 1.00 0.00 O ATOM 258 CB TYR A 17 -4.053 -13.296 1.153 1.00 0.00 C ATOM 259 CG TYR A 17 -3.042 -14.409 1.012 1.00 0.00 C ATOM 260 CD1 TYR A 17 -2.427 -14.648 -0.223 1.00 0.00 C ATOM 261 CD2 TYR A 17 -2.726 -15.211 2.117 1.00 0.00 C ATOM 262 CE1 TYR A 17 -1.497 -15.690 -0.354 1.00 0.00 C ATOM 263 CE2 TYR A 17 -1.799 -16.253 1.985 1.00 0.00 C ATOM 264 CZ TYR A 17 -1.184 -16.492 0.749 1.00 0.00 C ATOM 265 OH TYR A 17 -0.271 -17.519 0.619 1.00 0.00 O ATOM 0 H TYR A 17 -1.935 -12.315 -0.106 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.081 -11.199 1.660 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.757 -13.533 1.951 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.632 -13.201 0.234 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.669 -14.030 -1.075 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.197 -15.026 3.071 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.022 -15.873 -1.307 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.558 -16.872 2.836 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.168 -17.976 1.480 1.00 0.00 H new ATOM 275 N ARG A 18 -2.890 -11.605 3.800 1.00 0.00 N ATOM 276 CA ARG A 18 -2.094 -11.722 5.057 1.00 0.00 C ATOM 277 C ARG A 18 -2.579 -12.926 5.867 1.00 0.00 C ATOM 278 O ARG A 18 -3.763 -13.183 5.980 1.00 0.00 O ATOM 279 CB ARG A 18 -2.250 -10.439 5.879 1.00 0.00 C ATOM 280 CG ARG A 18 -1.491 -9.299 5.191 1.00 0.00 C ATOM 281 CD ARG A 18 -1.633 -8.013 6.012 1.00 0.00 C ATOM 282 NE ARG A 18 -0.843 -6.921 5.367 1.00 0.00 N ATOM 283 CZ ARG A 18 -0.554 -5.832 6.031 1.00 0.00 C ATOM 284 NH1 ARG A 18 -0.951 -5.688 7.265 1.00 0.00 N ATOM 285 NH2 ARG A 18 0.139 -4.886 5.458 1.00 0.00 N ATOM 0 H ARG A 18 -3.764 -11.087 3.890 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.042 -11.865 4.810 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.305 -10.182 5.976 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.865 -10.591 6.887 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.438 -9.561 5.087 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.882 -9.144 4.185 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.682 -7.726 6.080 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.281 -8.178 7.030 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.527 -7.026 4.403 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.490 -6.427 7.717 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.723 -4.837 7.778 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.454 -4.997 4.494 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.366 -4.036 5.974 1.00 0.00 H new ATOM 299 N ASP A 19 -1.663 -13.670 6.424 1.00 0.00 N ATOM 300 CA ASP A 19 -2.045 -14.863 7.230 1.00 0.00 C ATOM 301 C ASP A 19 -2.736 -14.407 8.520 1.00 0.00 C ATOM 302 O ASP A 19 -3.459 -15.154 9.153 1.00 0.00 O ATOM 303 CB ASP A 19 -0.781 -15.665 7.560 1.00 0.00 C ATOM 304 CG ASP A 19 0.234 -14.764 8.274 1.00 0.00 C ATOM 305 OD1 ASP A 19 -0.028 -13.579 8.390 1.00 0.00 O ATOM 306 OD2 ASP A 19 1.261 -15.279 8.690 1.00 0.00 O ATOM 0 H ASP A 19 -0.660 -13.501 6.354 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.734 -15.492 6.666 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.034 -16.516 8.193 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.345 -16.066 6.645 1.00 0.00 H new ATOM 311 N ASP A 20 -2.519 -13.183 8.912 1.00 0.00 N ATOM 312 CA ASP A 20 -3.162 -12.666 10.155 1.00 0.00 C ATOM 313 C ASP A 20 -4.685 -12.647 9.982 1.00 0.00 C ATOM 314 O ASP A 20 -5.429 -13.037 10.864 1.00 0.00 O ATOM 315 CB ASP A 20 -2.670 -11.241 10.418 1.00 0.00 C ATOM 316 CG ASP A 20 -1.216 -11.271 10.887 1.00 0.00 C ATOM 317 OD1 ASP A 20 -0.750 -12.341 11.243 1.00 0.00 O ATOM 318 OD2 ASP A 20 -0.591 -10.225 10.875 1.00 0.00 O ATOM 0 H ASP A 20 -1.922 -12.515 8.424 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.901 -13.312 10.993 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.756 -10.644 9.510 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.295 -10.765 11.173 1.00 0.00 H new ATOM 323 N ILE A 21 -5.151 -12.196 8.843 1.00 0.00 N ATOM 324 CA ILE A 21 -6.625 -12.144 8.570 1.00 0.00 C ATOM 325 C ILE A 21 -6.957 -13.164 7.469 1.00 0.00 C ATOM 326 O ILE A 21 -8.096 -13.330 7.071 1.00 0.00 O ATOM 327 CB ILE A 21 -7.011 -10.726 8.122 1.00 0.00 C ATOM 328 CG1 ILE A 21 -6.042 -10.239 7.038 1.00 0.00 C ATOM 329 CG2 ILE A 21 -6.946 -9.780 9.323 1.00 0.00 C ATOM 330 CD1 ILE A 21 -6.578 -8.946 6.411 1.00 0.00 C ATOM 0 H ILE A 21 -4.566 -11.857 8.079 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.187 -12.389 9.471 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.023 -10.740 7.718 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.056 -10.064 7.469 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.924 -11.005 6.271 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.219 -8.773 9.008 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -7.639 -10.120 10.092 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.933 -9.772 9.725 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.888 -8.602 5.641 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.554 -9.135 5.965 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.673 -8.181 7.181 1.00 0.00 H new ATOM 342 N ARG A 22 -5.954 -13.853 6.987 1.00 0.00 N ATOM 343 CA ARG A 22 -6.165 -14.875 5.915 1.00 0.00 C ATOM 344 C ARG A 22 -7.119 -14.337 4.845 1.00 0.00 C ATOM 345 O ARG A 22 -7.930 -15.059 4.297 1.00 0.00 O ATOM 346 CB ARG A 22 -6.740 -16.161 6.524 1.00 0.00 C ATOM 347 CG ARG A 22 -5.690 -16.794 7.441 1.00 0.00 C ATOM 348 CD ARG A 22 -6.248 -18.078 8.057 1.00 0.00 C ATOM 349 NE ARG A 22 -7.372 -17.741 8.979 1.00 0.00 N ATOM 350 CZ ARG A 22 -7.130 -17.361 10.208 1.00 0.00 C ATOM 351 NH1 ARG A 22 -5.903 -17.274 10.644 1.00 0.00 N ATOM 352 NH2 ARG A 22 -8.123 -17.072 11.002 1.00 0.00 N ATOM 0 H ARG A 22 -4.987 -13.750 7.294 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.204 -15.095 5.450 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.646 -15.938 7.088 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.019 -16.859 5.735 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.785 -17.015 6.875 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.411 -16.093 8.228 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.597 -18.749 7.272 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.463 -18.604 8.601 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.335 -17.807 8.649 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.125 -17.503 10.026 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.722 -16.977 11.603 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.083 -17.143 10.665 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.940 -16.775 11.961 1.00 0.00 H new ATOM 366 N LYS A 23 -7.021 -13.067 4.536 1.00 0.00 N ATOM 367 CA LYS A 23 -7.915 -12.466 3.500 1.00 0.00 C ATOM 368 C LYS A 23 -7.117 -11.534 2.593 1.00 0.00 C ATOM 369 O LYS A 23 -6.023 -11.109 2.916 1.00 0.00 O ATOM 370 CB LYS A 23 -9.030 -11.672 4.187 1.00 0.00 C ATOM 371 CG LYS A 23 -10.075 -12.629 4.781 1.00 0.00 C ATOM 372 CD LYS A 23 -11.076 -13.050 3.696 1.00 0.00 C ATOM 373 CE LYS A 23 -12.114 -13.987 4.299 1.00 0.00 C ATOM 374 NZ LYS A 23 -13.093 -14.366 3.247 1.00 0.00 N ATOM 0 H LYS A 23 -6.357 -12.419 4.959 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.347 -13.265 2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.609 -11.047 4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.505 -11.003 3.469 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.582 -13.509 5.194 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.600 -12.143 5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.565 -12.171 3.276 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.554 -13.546 2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.630 -14.877 4.701 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.624 -13.499 5.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.806 -15.006 3.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.561 -13.511 2.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.598 -14.846 2.469 1.00 0.00 H new ATOM 388 N TYR A 24 -7.670 -11.217 1.447 1.00 0.00 N ATOM 389 CA TYR A 24 -6.968 -10.321 0.492 1.00 0.00 C ATOM 390 C TYR A 24 -7.266 -8.866 0.833 1.00 0.00 C ATOM 391 O TYR A 24 -8.408 -8.458 0.972 1.00 0.00 O ATOM 392 CB TYR A 24 -7.445 -10.623 -0.930 1.00 0.00 C ATOM 393 CG TYR A 24 -6.925 -11.976 -1.355 1.00 0.00 C ATOM 394 CD1 TYR A 24 -5.660 -12.082 -1.947 1.00 0.00 C ATOM 395 CD2 TYR A 24 -7.703 -13.123 -1.157 1.00 0.00 C ATOM 396 CE1 TYR A 24 -5.174 -13.335 -2.340 1.00 0.00 C ATOM 397 CE2 TYR A 24 -7.216 -14.376 -1.551 1.00 0.00 C ATOM 398 CZ TYR A 24 -5.952 -14.482 -2.142 1.00 0.00 C ATOM 399 OH TYR A 24 -5.472 -15.716 -2.530 1.00 0.00 O ATOM 0 H TYR A 24 -8.584 -11.546 1.136 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.893 -10.490 0.561 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.534 -10.610 -0.971 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.091 -9.853 -1.616 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.060 -11.197 -2.100 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -8.678 -13.042 -0.701 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.198 -13.417 -2.796 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.816 -15.261 -1.399 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.136 -16.406 -2.320 1.00 0.00 H new ATOM 409 N VAL A 25 -6.234 -8.071 0.960 1.00 0.00 N ATOM 410 CA VAL A 25 -6.431 -6.630 1.287 1.00 0.00 C ATOM 411 C VAL A 25 -5.344 -5.805 0.582 1.00 0.00 C ATOM 412 O VAL A 25 -4.236 -6.266 0.408 1.00 0.00 O ATOM 413 CB VAL A 25 -6.326 -6.431 2.802 1.00 0.00 C ATOM 414 CG1 VAL A 25 -7.420 -7.238 3.498 1.00 0.00 C ATOM 415 CG2 VAL A 25 -4.957 -6.906 3.292 1.00 0.00 C ATOM 0 H VAL A 25 -5.262 -8.360 0.851 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.415 -6.305 0.950 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.446 -5.373 3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.346 -7.097 4.576 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.397 -6.899 3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.299 -8.295 3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.887 -6.763 4.370 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.833 -7.963 3.058 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.174 -6.331 2.798 1.00 0.00 H new ATOM 425 N PRO A 26 -5.650 -4.590 0.184 1.00 0.00 N ATOM 426 CA PRO A 26 -4.675 -3.699 -0.502 1.00 0.00 C ATOM 427 C PRO A 26 -3.259 -3.847 0.064 1.00 0.00 C ATOM 428 O PRO A 26 -2.983 -3.455 1.182 1.00 0.00 O ATOM 429 CB PRO A 26 -5.229 -2.298 -0.229 1.00 0.00 C ATOM 430 CG PRO A 26 -6.714 -2.481 -0.111 1.00 0.00 C ATOM 431 CD PRO A 26 -6.954 -3.934 0.340 1.00 0.00 C ATOM 0 HA PRO A 26 -4.578 -3.930 -1.563 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.809 -1.880 0.686 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.979 -1.611 -1.038 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.133 -1.779 0.610 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -7.203 -2.288 -1.066 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.298 -3.977 1.373 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.717 -4.418 -0.270 1.00 0.00 H new ATOM 439 N TYR A 27 -2.361 -4.415 -0.700 1.00 0.00 N ATOM 440 CA TYR A 27 -0.960 -4.598 -0.218 1.00 0.00 C ATOM 441 C TYR A 27 0.001 -3.850 -1.138 1.00 0.00 C ATOM 442 O TYR A 27 0.107 -4.135 -2.317 1.00 0.00 O ATOM 443 CB TYR A 27 -0.616 -6.084 -0.227 1.00 0.00 C ATOM 444 CG TYR A 27 0.742 -6.285 0.399 1.00 0.00 C ATOM 445 CD1 TYR A 27 0.848 -6.491 1.778 1.00 0.00 C ATOM 446 CD2 TYR A 27 1.894 -6.261 -0.398 1.00 0.00 C ATOM 447 CE1 TYR A 27 2.105 -6.672 2.363 1.00 0.00 C ATOM 448 CE2 TYR A 27 3.152 -6.443 0.188 1.00 0.00 C ATOM 449 CZ TYR A 27 3.257 -6.649 1.569 1.00 0.00 C ATOM 450 OH TYR A 27 4.497 -6.827 2.148 1.00 0.00 O ATOM 0 H TYR A 27 -2.540 -4.762 -1.642 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.869 -4.205 0.795 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.370 -6.647 0.323 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.618 -6.463 -1.249 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.041 -6.510 2.391 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.811 -6.102 -1.463 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.187 -6.830 3.428 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.041 -6.425 -0.425 1.00 0.00 H new ATOM 0 HH TYR A 27 5.158 -7.021 1.451 1.00 0.00 H new ATOM 460 N ALA A 28 0.712 -2.891 -0.604 1.00 0.00 N ATOM 461 CA ALA A 28 1.678 -2.119 -1.438 1.00 0.00 C ATOM 462 C ALA A 28 2.916 -1.798 -0.604 1.00 0.00 C ATOM 463 O ALA A 28 2.866 -1.742 0.610 1.00 0.00 O ATOM 464 CB ALA A 28 1.028 -0.815 -1.910 1.00 0.00 C ATOM 0 H ALA A 28 0.665 -2.609 0.375 1.00 0.00 H new ATOM 0 HA ALA A 28 1.963 -2.712 -2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.737 -0.254 -2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.142 -1.044 -2.503 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.741 -0.218 -1.045 1.00 0.00 H new ATOM 470 N LEU A 29 4.035 -1.592 -1.254 1.00 0.00 N ATOM 471 CA LEU A 29 5.298 -1.275 -0.522 1.00 0.00 C ATOM 472 C LEU A 29 5.691 0.169 -0.801 1.00 0.00 C ATOM 473 O LEU A 29 5.736 0.609 -1.934 1.00 0.00 O ATOM 474 CB LEU A 29 6.410 -2.204 -1.012 1.00 0.00 C ATOM 475 CG LEU A 29 6.016 -3.662 -0.738 1.00 0.00 C ATOM 476 CD1 LEU A 29 7.053 -4.594 -1.369 1.00 0.00 C ATOM 477 CD2 LEU A 29 5.947 -3.917 0.778 1.00 0.00 C ATOM 0 H LEU A 29 4.127 -1.631 -2.269 1.00 0.00 H new ATOM 0 HA LEU A 29 5.148 -1.414 0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.579 -2.056 -2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.346 -1.968 -0.505 1.00 0.00 H new ATOM 0 HG LEU A 29 5.035 -3.855 -1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.776 -5.630 -1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.090 -4.422 -2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.033 -4.394 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.667 -4.954 0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.922 -3.721 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.204 -3.257 1.225 1.00 0.00 H new ATOM 489 N ILE A 30 5.976 0.914 0.236 1.00 0.00 N ATOM 490 CA ILE A 30 6.372 2.341 0.066 1.00 0.00 C ATOM 491 C ILE A 30 7.864 2.480 0.337 1.00 0.00 C ATOM 492 O ILE A 30 8.376 2.001 1.331 1.00 0.00 O ATOM 493 CB ILE A 30 5.592 3.205 1.051 1.00 0.00 C ATOM 494 CG1 ILE A 30 4.097 3.103 0.732 1.00 0.00 C ATOM 495 CG2 ILE A 30 6.050 4.658 0.922 1.00 0.00 C ATOM 496 CD1 ILE A 30 3.283 3.778 1.837 1.00 0.00 C ATOM 0 H ILE A 30 5.950 0.589 1.203 1.00 0.00 H new ATOM 0 HA ILE A 30 6.152 2.666 -0.951 1.00 0.00 H new ATOM 0 HB ILE A 30 5.771 2.861 2.070 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.888 3.577 -0.227 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.806 2.057 0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.494 5.278 1.625 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.115 4.725 1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.867 5.008 -0.094 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.221 3.702 1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.482 3.285 2.789 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.565 4.829 1.907 1.00 0.00 H new ATOM 508 N ARG A 31 8.572 3.131 -0.551 1.00 0.00 N ATOM 509 CA ARG A 31 10.042 3.308 -0.368 1.00 0.00 C ATOM 510 C ARG A 31 10.412 4.759 -0.676 1.00 0.00 C ATOM 511 O ARG A 31 9.917 5.359 -1.612 1.00 0.00 O ATOM 512 CB ARG A 31 10.787 2.369 -1.319 1.00 0.00 C ATOM 513 CG ARG A 31 10.559 0.916 -0.886 1.00 0.00 C ATOM 514 CD ARG A 31 11.259 -0.030 -1.866 1.00 0.00 C ATOM 515 NE ARG A 31 11.028 -1.444 -1.440 1.00 0.00 N ATOM 516 CZ ARG A 31 11.442 -2.441 -2.181 1.00 0.00 C ATOM 517 NH1 ARG A 31 12.060 -2.217 -3.309 1.00 0.00 N ATOM 518 NH2 ARG A 31 11.234 -3.670 -1.791 1.00 0.00 N ATOM 0 H ARG A 31 8.191 3.549 -1.400 1.00 0.00 H new ATOM 0 HA ARG A 31 10.321 3.073 0.659 1.00 0.00 H new ATOM 0 HB2 ARG A 31 10.435 2.515 -2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 31 11.853 2.598 -1.313 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.945 0.762 0.122 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.491 0.699 -0.855 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.876 0.125 -2.875 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.328 0.183 -1.894 1.00 0.00 H new ATOM 0 HE ARG A 31 10.543 -1.634 -0.563 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.224 -1.259 -3.619 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.379 -3.000 -3.880 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.750 -3.851 -0.911 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.555 -4.449 -2.366 1.00 0.00 H new ATOM 532 N LYS A 32 11.277 5.331 0.118 1.00 0.00 N ATOM 533 CA LYS A 32 11.686 6.747 -0.101 1.00 0.00 C ATOM 534 C LYS A 32 12.863 6.812 -1.076 1.00 0.00 C ATOM 535 O LYS A 32 13.791 6.028 -1.010 1.00 0.00 O ATOM 536 CB LYS A 32 12.093 7.357 1.238 1.00 0.00 C ATOM 537 CG LYS A 32 12.406 8.841 1.049 1.00 0.00 C ATOM 538 CD LYS A 32 12.724 9.474 2.404 1.00 0.00 C ATOM 539 CE LYS A 32 13.022 10.962 2.212 1.00 0.00 C ATOM 540 NZ LYS A 32 13.308 11.585 3.535 1.00 0.00 N ATOM 0 H LYS A 32 11.721 4.874 0.915 1.00 0.00 H new ATOM 0 HA LYS A 32 10.851 7.304 -0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.290 7.234 1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.965 6.838 1.636 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.252 8.961 0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.556 9.347 0.590 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.882 9.345 3.084 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.580 8.976 2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.875 11.090 1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.172 11.456 1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.511 12.597 3.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.482 11.474 4.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.131 11.119 3.967 1.00 0.00 H new ATOM 554 N VAL A 33 12.820 7.744 -1.986 1.00 0.00 N ATOM 555 CA VAL A 33 13.917 7.881 -2.983 1.00 0.00 C ATOM 556 C VAL A 33 15.191 8.392 -2.307 1.00 0.00 C ATOM 557 O VAL A 33 15.172 9.333 -1.535 1.00 0.00 O ATOM 558 CB VAL A 33 13.485 8.866 -4.066 1.00 0.00 C ATOM 559 CG1 VAL A 33 14.650 9.131 -5.021 1.00 0.00 C ATOM 560 CG2 VAL A 33 12.313 8.272 -4.848 1.00 0.00 C ATOM 0 H VAL A 33 12.065 8.423 -2.082 1.00 0.00 H new ATOM 0 HA VAL A 33 14.123 6.906 -3.425 1.00 0.00 H new ATOM 0 HB VAL A 33 13.182 9.804 -3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.336 9.835 -5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.488 9.552 -4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 33 14.958 8.195 -5.488 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.001 8.972 -5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.622 7.334 -5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.480 8.086 -4.170 1.00 0.00 H new ATOM 570 N GLY A 34 16.308 7.771 -2.601 1.00 0.00 N ATOM 571 CA GLY A 34 17.609 8.192 -1.997 1.00 0.00 C ATOM 572 C GLY A 34 18.008 7.196 -0.909 1.00 0.00 C ATOM 573 O GLY A 34 19.177 6.957 -0.669 1.00 0.00 O ATOM 0 H GLY A 34 16.373 6.980 -3.242 1.00 0.00 H new ATOM 0 HA2 GLY A 34 18.381 8.238 -2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 34 17.520 9.193 -1.575 1.00 0.00 H new ATOM 577 N VAL A 35 17.047 6.590 -0.262 1.00 0.00 N ATOM 578 CA VAL A 35 17.371 5.591 0.797 1.00 0.00 C ATOM 579 C VAL A 35 16.275 4.514 0.844 1.00 0.00 C ATOM 580 O VAL A 35 15.734 4.221 1.891 1.00 0.00 O ATOM 581 CB VAL A 35 17.458 6.303 2.153 1.00 0.00 C ATOM 582 CG1 VAL A 35 18.821 6.980 2.296 1.00 0.00 C ATOM 583 CG2 VAL A 35 16.361 7.367 2.234 1.00 0.00 C ATOM 0 H VAL A 35 16.052 6.744 -0.422 1.00 0.00 H new ATOM 0 HA VAL A 35 18.327 5.117 0.573 1.00 0.00 H new ATOM 0 HB VAL A 35 17.330 5.573 2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 35 18.877 7.484 3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 35 19.609 6.229 2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 35 18.950 7.710 1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 35 16.418 7.876 3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 35 16.497 8.092 1.431 1.00 0.00 H new ATOM 0 HG23 VAL A 35 15.385 6.892 2.133 1.00 0.00 H new ATOM 593 N PRO A 36 15.960 3.918 -0.280 1.00 0.00 N ATOM 594 CA PRO A 36 14.928 2.845 -0.356 1.00 0.00 C ATOM 595 C PRO A 36 15.483 1.525 0.185 1.00 0.00 C ATOM 596 O PRO A 36 14.769 0.563 0.394 1.00 0.00 O ATOM 597 CB PRO A 36 14.630 2.743 -1.855 1.00 0.00 C ATOM 598 CG PRO A 36 15.904 3.152 -2.524 1.00 0.00 C ATOM 599 CD PRO A 36 16.557 4.191 -1.603 1.00 0.00 C ATOM 0 HA PRO A 36 14.039 3.061 0.237 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.344 1.729 -2.134 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.805 3.396 -2.140 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.560 2.294 -2.669 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.708 3.574 -3.510 1.00 0.00 H new ATOM 0 HD2 PRO A 36 17.641 4.081 -1.582 1.00 0.00 H new ATOM 0 HD3 PRO A 36 16.346 5.208 -1.935 1.00 0.00 H new ATOM 607 N ASP A 37 16.772 1.480 0.407 1.00 0.00 N ATOM 608 CA ASP A 37 17.410 0.236 0.926 1.00 0.00 C ATOM 609 C ASP A 37 17.437 0.270 2.459 1.00 0.00 C ATOM 610 O ASP A 37 18.475 0.126 3.079 1.00 0.00 O ATOM 611 CB ASP A 37 18.837 0.137 0.374 1.00 0.00 C ATOM 612 CG ASP A 37 19.656 1.353 0.813 1.00 0.00 C ATOM 613 OD1 ASP A 37 19.088 2.241 1.427 1.00 0.00 O ATOM 614 OD2 ASP A 37 20.843 1.376 0.525 1.00 0.00 O ATOM 0 H ASP A 37 17.413 2.258 0.249 1.00 0.00 H new ATOM 0 HA ASP A 37 16.838 -0.635 0.605 1.00 0.00 H new ATOM 0 HB2 ASP A 37 19.310 -0.778 0.730 1.00 0.00 H new ATOM 0 HB3 ASP A 37 18.811 0.080 -0.714 1.00 0.00 H new ATOM 619 N ARG A 38 16.292 0.457 3.074 1.00 0.00 N ATOM 620 CA ARG A 38 16.209 0.497 4.568 1.00 0.00 C ATOM 621 C ARG A 38 15.298 -0.620 5.071 1.00 0.00 C ATOM 622 O ARG A 38 15.650 -1.788 5.061 1.00 0.00 O ATOM 623 CB ARG A 38 15.643 1.855 5.019 1.00 0.00 C ATOM 624 CG ARG A 38 16.734 2.926 4.926 1.00 0.00 C ATOM 625 CD ARG A 38 16.230 4.248 5.509 1.00 0.00 C ATOM 626 NE ARG A 38 15.349 4.930 4.522 1.00 0.00 N ATOM 627 CZ ARG A 38 14.879 6.120 4.773 1.00 0.00 C ATOM 628 NH1 ARG A 38 15.161 6.720 5.898 1.00 0.00 N ATOM 629 NH2 ARG A 38 14.119 6.709 3.898 1.00 0.00 N ATOM 0 H ARG A 38 15.400 0.585 2.596 1.00 0.00 H new ATOM 0 HA ARG A 38 17.209 0.361 4.981 1.00 0.00 H new ATOM 0 HB2 ARG A 38 14.794 2.132 4.394 1.00 0.00 H new ATOM 0 HB3 ARG A 38 15.275 1.785 6.043 1.00 0.00 H new ATOM 0 HG2 ARG A 38 17.622 2.598 5.465 1.00 0.00 H new ATOM 0 HG3 ARG A 38 17.027 3.067 3.886 1.00 0.00 H new ATOM 0 HD2 ARG A 38 15.682 4.063 6.433 1.00 0.00 H new ATOM 0 HD3 ARG A 38 17.074 4.890 5.762 1.00 0.00 H new ATOM 0 HE ARG A 38 15.112 4.465 3.646 1.00 0.00 H new ATOM 0 HH11 ARG A 38 15.753 6.258 6.588 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.789 7.651 6.087 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.893 6.240 3.021 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.748 7.640 4.089 1.00 0.00 H new ATOM 643 N THR A 39 14.127 -0.265 5.523 1.00 0.00 N ATOM 644 CA THR A 39 13.167 -1.279 6.049 1.00 0.00 C ATOM 645 C THR A 39 11.771 -0.986 5.486 1.00 0.00 C ATOM 646 O THR A 39 10.978 -0.306 6.104 1.00 0.00 O ATOM 647 CB THR A 39 13.131 -1.186 7.572 1.00 0.00 C ATOM 648 OG1 THR A 39 14.448 -1.348 8.076 1.00 0.00 O ATOM 649 CG2 THR A 39 12.232 -2.289 8.131 1.00 0.00 C ATOM 0 H THR A 39 13.789 0.697 5.551 1.00 0.00 H new ATOM 0 HA THR A 39 13.479 -2.280 5.750 1.00 0.00 H new ATOM 0 HB THR A 39 12.737 -0.215 7.872 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.434 -1.288 9.054 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.207 -2.222 9.219 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.223 -2.170 7.737 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.624 -3.262 7.837 1.00 0.00 H new ATOM 657 N PRO A 40 11.472 -1.507 4.323 1.00 0.00 N ATOM 658 CA PRO A 40 10.153 -1.296 3.659 1.00 0.00 C ATOM 659 C PRO A 40 8.988 -1.704 4.557 1.00 0.00 C ATOM 660 O PRO A 40 9.053 -2.695 5.261 1.00 0.00 O ATOM 661 CB PRO A 40 10.225 -2.201 2.418 1.00 0.00 C ATOM 662 CG PRO A 40 11.684 -2.304 2.130 1.00 0.00 C ATOM 663 CD PRO A 40 12.364 -2.331 3.492 1.00 0.00 C ATOM 0 HA PRO A 40 9.976 -0.247 3.421 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.787 -3.180 2.612 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.682 -1.769 1.577 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.909 -3.206 1.560 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.028 -1.457 1.536 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.453 -3.346 3.879 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.372 -1.917 3.448 1.00 0.00 H new ATOM 671 N ILE A 41 7.923 -0.940 4.538 1.00 0.00 N ATOM 672 CA ILE A 41 6.738 -1.267 5.388 1.00 0.00 C ATOM 673 C ILE A 41 5.492 -1.362 4.492 1.00 0.00 C ATOM 674 O ILE A 41 5.249 -0.489 3.685 1.00 0.00 O ATOM 675 CB ILE A 41 6.535 -0.163 6.434 1.00 0.00 C ATOM 676 CG1 ILE A 41 7.856 0.067 7.213 1.00 0.00 C ATOM 677 CG2 ILE A 41 5.429 -0.600 7.407 1.00 0.00 C ATOM 678 CD1 ILE A 41 8.666 1.188 6.562 1.00 0.00 C ATOM 0 H ILE A 41 7.824 -0.100 3.967 1.00 0.00 H new ATOM 0 HA ILE A 41 6.900 -2.217 5.897 1.00 0.00 H new ATOM 0 HB ILE A 41 6.248 0.766 5.941 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.635 0.323 8.249 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.442 -0.852 7.229 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.275 0.177 8.156 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.502 -0.761 6.856 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.724 -1.526 7.900 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.591 1.339 7.119 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.902 0.916 5.533 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.083 2.109 6.569 1.00 0.00 H new ATOM 690 N PRO A 42 4.709 -2.411 4.617 1.00 0.00 N ATOM 691 CA PRO A 42 3.487 -2.592 3.783 1.00 0.00 C ATOM 692 C PRO A 42 2.373 -1.613 4.157 1.00 0.00 C ATOM 693 O PRO A 42 2.165 -1.299 5.314 1.00 0.00 O ATOM 694 CB PRO A 42 3.072 -4.047 4.055 1.00 0.00 C ATOM 695 CG PRO A 42 3.631 -4.371 5.403 1.00 0.00 C ATOM 696 CD PRO A 42 4.897 -3.529 5.560 1.00 0.00 C ATOM 0 HA PRO A 42 3.679 -2.393 2.729 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.987 -4.156 4.042 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.468 -4.718 3.293 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.911 -4.139 6.188 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.859 -5.434 5.483 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.013 -3.171 6.583 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.791 -4.105 5.321 1.00 0.00 H new ATOM 704 N THR A 43 1.647 -1.137 3.175 1.00 0.00 N ATOM 705 CA THR A 43 0.530 -0.186 3.443 1.00 0.00 C ATOM 706 C THR A 43 -0.780 -0.806 2.962 1.00 0.00 C ATOM 707 O THR A 43 -0.885 -1.299 1.850 1.00 0.00 O ATOM 708 CB THR A 43 0.791 1.136 2.714 1.00 0.00 C ATOM 709 OG1 THR A 43 -0.216 2.067 3.072 1.00 0.00 O ATOM 710 CG2 THR A 43 0.782 0.926 1.200 1.00 0.00 C ATOM 0 H THR A 43 1.784 -1.370 2.192 1.00 0.00 H new ATOM 0 HA THR A 43 0.462 0.013 4.512 1.00 0.00 H new ATOM 0 HB THR A 43 1.771 1.516 3.004 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.055 2.917 2.611 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.969 1.876 0.700 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.560 0.213 0.927 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.189 0.539 0.892 1.00 0.00 H new ATOM 718 N THR A 44 -1.781 -0.797 3.810 1.00 0.00 N ATOM 719 CA THR A 44 -3.102 -1.387 3.439 1.00 0.00 C ATOM 720 C THR A 44 -4.214 -0.486 3.960 1.00 0.00 C ATOM 721 O THR A 44 -3.984 0.402 4.758 1.00 0.00 O ATOM 722 CB THR A 44 -3.248 -2.779 4.061 1.00 0.00 C ATOM 723 OG1 THR A 44 -3.687 -2.653 5.404 1.00 0.00 O ATOM 724 CG2 THR A 44 -1.900 -3.496 4.024 1.00 0.00 C ATOM 0 H THR A 44 -1.737 -0.403 4.750 1.00 0.00 H new ATOM 0 HA THR A 44 -3.166 -1.472 2.354 1.00 0.00 H new ATOM 0 HB THR A 44 -3.979 -3.357 3.496 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.782 -3.543 5.802 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.003 -4.487 4.466 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.568 -3.593 2.990 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.166 -2.921 4.589 1.00 0.00 H new ATOM 732 N TYR A 45 -5.426 -0.711 3.513 1.00 0.00 N ATOM 733 CA TYR A 45 -6.578 0.125 3.973 1.00 0.00 C ATOM 734 C TYR A 45 -7.629 -0.785 4.646 1.00 0.00 C ATOM 735 O TYR A 45 -8.096 -1.721 4.039 1.00 0.00 O ATOM 736 CB TYR A 45 -7.214 0.804 2.763 1.00 0.00 C ATOM 737 CG TYR A 45 -8.339 1.702 3.227 1.00 0.00 C ATOM 738 CD1 TYR A 45 -8.057 2.980 3.725 1.00 0.00 C ATOM 739 CD2 TYR A 45 -9.666 1.259 3.150 1.00 0.00 C ATOM 740 CE1 TYR A 45 -9.100 3.812 4.153 1.00 0.00 C ATOM 741 CE2 TYR A 45 -10.708 2.091 3.579 1.00 0.00 C ATOM 742 CZ TYR A 45 -10.425 3.369 4.075 1.00 0.00 C ATOM 743 OH TYR A 45 -11.453 4.192 4.492 1.00 0.00 O ATOM 0 H TYR A 45 -5.667 -1.443 2.845 1.00 0.00 H new ATOM 0 HA TYR A 45 -6.229 0.875 4.682 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.467 1.387 2.224 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.594 0.054 2.069 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.035 3.325 3.779 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.885 0.276 2.760 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.881 4.795 4.543 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -11.730 1.746 3.527 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.310 3.733 4.370 1.00 0.00 H new ATOM 753 N PRO A 46 -8.001 -0.516 5.886 1.00 0.00 N ATOM 754 CA PRO A 46 -9.012 -1.340 6.621 1.00 0.00 C ATOM 755 C PRO A 46 -10.223 -1.704 5.748 1.00 0.00 C ATOM 756 O PRO A 46 -11.271 -1.091 5.826 1.00 0.00 O ATOM 757 CB PRO A 46 -9.425 -0.433 7.789 1.00 0.00 C ATOM 758 CG PRO A 46 -8.222 0.417 8.060 1.00 0.00 C ATOM 759 CD PRO A 46 -7.498 0.588 6.722 1.00 0.00 C ATOM 0 HA PRO A 46 -8.606 -2.301 6.938 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.290 0.177 7.529 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.701 -1.019 8.666 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.515 1.384 8.469 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.571 -0.056 8.795 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.717 1.557 6.273 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.417 0.531 6.846 1.00 0.00 H new ATOM 767 N GLU A 47 -10.084 -2.706 4.923 1.00 0.00 N ATOM 768 CA GLU A 47 -11.214 -3.121 4.050 1.00 0.00 C ATOM 769 C GLU A 47 -10.838 -4.417 3.330 1.00 0.00 C ATOM 770 O GLU A 47 -9.676 -4.738 3.172 1.00 0.00 O ATOM 771 CB GLU A 47 -11.510 -2.030 3.017 1.00 0.00 C ATOM 772 CG GLU A 47 -12.736 -2.434 2.194 1.00 0.00 C ATOM 773 CD GLU A 47 -13.151 -1.278 1.286 1.00 0.00 C ATOM 774 OE1 GLU A 47 -12.667 -0.179 1.503 1.00 0.00 O ATOM 775 OE2 GLU A 47 -13.944 -1.511 0.391 1.00 0.00 O ATOM 0 H GLU A 47 -9.232 -3.256 4.817 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.103 -3.279 4.661 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.691 -1.079 3.517 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.649 -1.888 2.363 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.509 -3.316 1.595 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.559 -2.702 2.857 1.00 0.00 H new ATOM 782 N PHE A 48 -11.820 -5.165 2.884 1.00 0.00 N ATOM 783 CA PHE A 48 -11.540 -6.447 2.167 1.00 0.00 C ATOM 784 C PHE A 48 -11.948 -6.311 0.703 1.00 0.00 C ATOM 785 O PHE A 48 -12.966 -5.731 0.378 1.00 0.00 O ATOM 786 CB PHE A 48 -12.359 -7.567 2.802 1.00 0.00 C ATOM 787 CG PHE A 48 -11.996 -7.692 4.262 1.00 0.00 C ATOM 788 CD1 PHE A 48 -10.852 -8.399 4.640 1.00 0.00 C ATOM 789 CD2 PHE A 48 -12.807 -7.098 5.236 1.00 0.00 C ATOM 790 CE1 PHE A 48 -10.520 -8.520 5.995 1.00 0.00 C ATOM 791 CE2 PHE A 48 -12.475 -7.217 6.591 1.00 0.00 C ATOM 792 CZ PHE A 48 -11.329 -7.926 6.969 1.00 0.00 C ATOM 0 H PHE A 48 -12.809 -4.939 2.988 1.00 0.00 H new ATOM 0 HA PHE A 48 -10.476 -6.675 2.235 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -13.424 -7.357 2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -12.168 -8.508 2.287 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.224 -8.852 3.887 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -13.689 -6.548 4.942 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.639 -9.072 6.288 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.102 -6.762 7.343 1.00 0.00 H new ATOM 0 HZ PHE A 48 -11.069 -8.014 8.014 1.00 0.00 H new ATOM 802 N TYR A 49 -11.157 -6.856 -0.191 1.00 0.00 N ATOM 803 CA TYR A 49 -11.491 -6.780 -1.645 1.00 0.00 C ATOM 804 C TYR A 49 -11.256 -8.150 -2.279 1.00 0.00 C ATOM 805 O TYR A 49 -10.231 -8.775 -2.089 1.00 0.00 O ATOM 806 CB TYR A 49 -10.598 -5.732 -2.324 1.00 0.00 C ATOM 807 CG TYR A 49 -11.167 -4.353 -2.082 1.00 0.00 C ATOM 808 CD1 TYR A 49 -12.159 -3.853 -2.930 1.00 0.00 C ATOM 809 CD2 TYR A 49 -10.708 -3.580 -1.011 1.00 0.00 C ATOM 810 CE1 TYR A 49 -12.692 -2.579 -2.712 1.00 0.00 C ATOM 811 CE2 TYR A 49 -11.239 -2.305 -0.791 1.00 0.00 C ATOM 812 CZ TYR A 49 -12.232 -1.804 -1.640 1.00 0.00 C ATOM 813 OH TYR A 49 -12.756 -0.546 -1.424 1.00 0.00 O ATOM 0 H TYR A 49 -10.292 -7.351 0.027 1.00 0.00 H new ATOM 0 HA TYR A 49 -12.535 -6.492 -1.771 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.583 -5.793 -1.930 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -10.537 -5.929 -3.394 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -12.515 -4.452 -3.755 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.944 -3.967 -0.354 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -13.457 -2.193 -3.369 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.882 -1.707 0.035 1.00 0.00 H new ATOM 0 HH TYR A 49 -13.632 -0.626 -0.992 1.00 0.00 H new ATOM 823 N ASP A 50 -12.212 -8.621 -3.030 1.00 0.00 N ATOM 824 CA ASP A 50 -12.081 -9.946 -3.698 1.00 0.00 C ATOM 825 C ASP A 50 -11.522 -9.736 -5.109 1.00 0.00 C ATOM 826 O ASP A 50 -10.937 -10.623 -5.703 1.00 0.00 O ATOM 827 CB ASP A 50 -13.465 -10.595 -3.770 1.00 0.00 C ATOM 828 CG ASP A 50 -13.346 -12.017 -4.318 1.00 0.00 C ATOM 829 OD1 ASP A 50 -12.261 -12.381 -4.735 1.00 0.00 O ATOM 830 OD2 ASP A 50 -14.346 -12.718 -4.311 1.00 0.00 O ATOM 0 H ASP A 50 -13.091 -8.137 -3.212 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.406 -10.594 -3.139 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.919 -10.615 -2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.121 -10.004 -4.409 1.00 0.00 H new ATOM 835 N LEU A 51 -11.709 -8.563 -5.660 1.00 0.00 N ATOM 836 CA LEU A 51 -11.204 -8.292 -7.040 1.00 0.00 C ATOM 837 C LEU A 51 -9.767 -7.768 -6.983 1.00 0.00 C ATOM 838 O LEU A 51 -9.419 -6.948 -6.156 1.00 0.00 O ATOM 839 CB LEU A 51 -12.097 -7.244 -7.718 1.00 0.00 C ATOM 840 CG LEU A 51 -13.550 -7.731 -7.732 1.00 0.00 C ATOM 841 CD1 LEU A 51 -14.440 -6.656 -8.366 1.00 0.00 C ATOM 842 CD2 LEU A 51 -13.661 -9.037 -8.540 1.00 0.00 C ATOM 0 H LEU A 51 -12.189 -7.782 -5.214 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.225 -9.220 -7.611 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.027 -6.295 -7.187 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.754 -7.065 -8.737 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.875 -7.919 -6.709 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.474 -7.000 -8.377 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.370 -5.736 -7.785 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -14.110 -6.466 -9.387 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.697 -9.375 -8.544 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.333 -8.860 -9.564 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.032 -9.801 -8.084 1.00 0.00 H new ATOM 854 N GLU A 52 -8.931 -8.242 -7.867 1.00 0.00 N ATOM 855 CA GLU A 52 -7.513 -7.781 -7.894 1.00 0.00 C ATOM 856 C GLU A 52 -7.457 -6.338 -8.403 1.00 0.00 C ATOM 857 O GLU A 52 -6.668 -5.530 -7.949 1.00 0.00 O ATOM 858 CB GLU A 52 -6.710 -8.685 -8.830 1.00 0.00 C ATOM 859 CG GLU A 52 -5.247 -8.244 -8.835 1.00 0.00 C ATOM 860 CD GLU A 52 -4.416 -9.205 -9.689 1.00 0.00 C ATOM 861 OE1 GLU A 52 -4.915 -10.274 -10.002 1.00 0.00 O ATOM 862 OE2 GLU A 52 -3.293 -8.857 -10.013 1.00 0.00 O ATOM 0 H GLU A 52 -9.172 -8.934 -8.577 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.091 -7.827 -6.890 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.787 -9.723 -8.505 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.119 -8.636 -9.839 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.165 -7.231 -9.228 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.861 -8.223 -7.816 1.00 0.00 H new ATOM 869 N ALA A 53 -8.286 -6.011 -9.352 1.00 0.00 N ATOM 870 CA ALA A 53 -8.290 -4.627 -9.906 1.00 0.00 C ATOM 871 C ALA A 53 -8.578 -3.630 -8.782 1.00 0.00 C ATOM 872 O ALA A 53 -7.906 -2.628 -8.629 1.00 0.00 O ATOM 873 CB ALA A 53 -9.391 -4.521 -10.962 1.00 0.00 C ATOM 0 H ALA A 53 -8.966 -6.645 -9.771 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.320 -4.405 -10.351 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.403 -3.512 -11.375 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.199 -5.237 -11.761 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.356 -4.738 -10.504 1.00 0.00 H new ATOM 879 N ASP A 54 -9.576 -3.903 -7.995 1.00 0.00 N ATOM 880 CA ASP A 54 -9.919 -2.988 -6.871 1.00 0.00 C ATOM 881 C ASP A 54 -8.759 -2.948 -5.872 1.00 0.00 C ATOM 882 O ASP A 54 -8.404 -1.910 -5.348 1.00 0.00 O ATOM 883 CB ASP A 54 -11.169 -3.511 -6.166 1.00 0.00 C ATOM 884 CG ASP A 54 -12.397 -3.296 -7.054 1.00 0.00 C ATOM 885 OD1 ASP A 54 -12.288 -2.547 -8.010 1.00 0.00 O ATOM 886 OD2 ASP A 54 -13.423 -3.889 -6.763 1.00 0.00 O ATOM 0 H ASP A 54 -10.174 -4.725 -8.081 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.101 -1.985 -7.258 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.053 -4.571 -5.941 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -11.303 -2.996 -5.215 1.00 0.00 H new ATOM 891 N ALA A 55 -8.174 -4.081 -5.596 1.00 0.00 N ATOM 892 CA ALA A 55 -7.041 -4.125 -4.627 1.00 0.00 C ATOM 893 C ALA A 55 -5.885 -3.255 -5.133 1.00 0.00 C ATOM 894 O ALA A 55 -5.258 -2.534 -4.382 1.00 0.00 O ATOM 895 CB ALA A 55 -6.557 -5.571 -4.495 1.00 0.00 C ATOM 0 H ALA A 55 -8.432 -4.981 -6.001 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.377 -3.749 -3.661 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.728 -5.614 -3.788 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.374 -6.197 -4.135 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.224 -5.933 -5.468 1.00 0.00 H new ATOM 901 N GLU A 56 -5.593 -3.323 -6.402 1.00 0.00 N ATOM 902 CA GLU A 56 -4.478 -2.501 -6.961 1.00 0.00 C ATOM 903 C GLU A 56 -4.864 -1.019 -6.962 1.00 0.00 C ATOM 904 O GLU A 56 -4.083 -0.158 -6.605 1.00 0.00 O ATOM 905 CB GLU A 56 -4.196 -2.943 -8.398 1.00 0.00 C ATOM 906 CG GLU A 56 -3.593 -4.348 -8.402 1.00 0.00 C ATOM 907 CD GLU A 56 -3.360 -4.805 -9.844 1.00 0.00 C ATOM 908 OE1 GLU A 56 -3.694 -4.055 -10.746 1.00 0.00 O ATOM 909 OE2 GLU A 56 -2.851 -5.900 -10.022 1.00 0.00 O ATOM 0 H GLU A 56 -6.078 -3.912 -7.079 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.590 -2.641 -6.344 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.118 -2.932 -8.979 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.511 -2.242 -8.875 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.652 -4.352 -7.852 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.262 -5.043 -7.894 1.00 0.00 H new ATOM 916 N ARG A 57 -6.062 -0.714 -7.373 1.00 0.00 N ATOM 917 CA ARG A 57 -6.505 0.710 -7.410 1.00 0.00 C ATOM 918 C ARG A 57 -6.629 1.258 -5.985 1.00 0.00 C ATOM 919 O ARG A 57 -6.224 2.368 -5.694 1.00 0.00 O ATOM 920 CB ARG A 57 -7.863 0.791 -8.111 1.00 0.00 C ATOM 921 CG ARG A 57 -8.305 2.253 -8.214 1.00 0.00 C ATOM 922 CD ARG A 57 -9.601 2.347 -9.027 1.00 0.00 C ATOM 923 NE ARG A 57 -9.321 1.972 -10.444 1.00 0.00 N ATOM 924 CZ ARG A 57 -10.296 1.852 -11.304 1.00 0.00 C ATOM 925 NH1 ARG A 57 -11.530 2.055 -10.934 1.00 0.00 N ATOM 926 NH2 ARG A 57 -10.033 1.531 -12.541 1.00 0.00 N ATOM 0 H ARG A 57 -6.757 -1.391 -7.686 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.771 1.305 -7.954 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.796 0.350 -9.106 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.604 0.215 -7.556 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.459 2.667 -7.218 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.523 2.846 -8.688 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.357 1.685 -8.606 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.002 3.360 -8.979 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.360 1.808 -10.743 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.738 2.309 -9.968 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.287 1.960 -11.610 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.068 1.375 -12.833 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.792 1.436 -13.216 1.00 0.00 H new ATOM 940 N VAL A 58 -7.188 0.488 -5.098 1.00 0.00 N ATOM 941 CA VAL A 58 -7.340 0.956 -3.689 1.00 0.00 C ATOM 942 C VAL A 58 -5.959 1.116 -3.046 1.00 0.00 C ATOM 943 O VAL A 58 -5.699 2.066 -2.336 1.00 0.00 O ATOM 944 CB VAL A 58 -8.164 -0.067 -2.900 1.00 0.00 C ATOM 945 CG1 VAL A 58 -8.149 0.289 -1.409 1.00 0.00 C ATOM 946 CG2 VAL A 58 -9.609 -0.063 -3.409 1.00 0.00 C ATOM 0 H VAL A 58 -7.548 -0.448 -5.285 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.851 1.919 -3.679 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.730 -1.057 -3.038 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.737 -0.442 -0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.122 0.282 -1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.577 1.281 -1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.195 -0.791 -2.847 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.039 0.930 -3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.623 -0.325 -4.467 1.00 0.00 H new ATOM 956 N SER A 59 -5.077 0.184 -3.273 1.00 0.00 N ATOM 957 CA SER A 59 -3.720 0.280 -2.663 1.00 0.00 C ATOM 958 C SER A 59 -3.028 1.559 -3.146 1.00 0.00 C ATOM 959 O SER A 59 -2.392 2.262 -2.384 1.00 0.00 O ATOM 960 CB SER A 59 -2.893 -0.935 -3.083 1.00 0.00 C ATOM 961 OG SER A 59 -2.790 -0.958 -4.500 1.00 0.00 O ATOM 0 H SER A 59 -5.236 -0.640 -3.854 1.00 0.00 H new ATOM 0 HA SER A 59 -3.810 0.307 -1.577 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.901 -0.888 -2.634 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.362 -1.851 -2.725 1.00 0.00 H new ATOM 0 HG SER A 59 -3.626 -0.633 -4.894 1.00 0.00 H new ATOM 967 N ILE A 60 -3.149 1.868 -4.405 1.00 0.00 N ATOM 968 CA ILE A 60 -2.505 3.104 -4.937 1.00 0.00 C ATOM 969 C ILE A 60 -3.157 4.341 -4.303 1.00 0.00 C ATOM 970 O ILE A 60 -2.489 5.270 -3.886 1.00 0.00 O ATOM 971 CB ILE A 60 -2.694 3.143 -6.455 1.00 0.00 C ATOM 972 CG1 ILE A 60 -1.869 2.021 -7.094 1.00 0.00 C ATOM 973 CG2 ILE A 60 -2.235 4.494 -7.006 1.00 0.00 C ATOM 974 CD1 ILE A 60 -2.278 1.843 -8.558 1.00 0.00 C ATOM 0 H ILE A 60 -3.666 1.319 -5.091 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.442 3.101 -4.696 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.749 3.005 -6.691 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.807 2.257 -7.030 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.022 1.090 -6.549 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.373 4.512 -8.087 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.823 5.291 -6.551 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.181 4.643 -6.773 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.688 1.044 -9.006 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.336 1.586 -8.612 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.102 2.772 -9.100 1.00 0.00 H new ATOM 986 N ALA A 61 -4.456 4.359 -4.223 1.00 0.00 N ATOM 987 CA ALA A 61 -5.151 5.528 -3.613 1.00 0.00 C ATOM 988 C ALA A 61 -4.856 5.562 -2.111 1.00 0.00 C ATOM 989 O ALA A 61 -4.656 6.606 -1.522 1.00 0.00 O ATOM 990 CB ALA A 61 -6.660 5.391 -3.837 1.00 0.00 C ATOM 0 H ALA A 61 -5.069 3.614 -4.554 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.798 6.450 -4.074 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.173 6.244 -3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.868 5.360 -4.907 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.015 4.471 -3.372 1.00 0.00 H new ATOM 996 N CYS A 62 -4.831 4.418 -1.491 1.00 0.00 N ATOM 997 CA CYS A 62 -4.546 4.356 -0.031 1.00 0.00 C ATOM 998 C CYS A 62 -3.082 4.723 0.223 1.00 0.00 C ATOM 999 O CYS A 62 -2.748 5.380 1.189 1.00 0.00 O ATOM 1000 CB CYS A 62 -4.805 2.932 0.467 1.00 0.00 C ATOM 1001 SG CYS A 62 -4.141 2.740 2.141 1.00 0.00 S ATOM 0 H CYS A 62 -4.997 3.515 -1.936 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.191 5.058 0.498 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -5.875 2.724 0.464 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.339 2.211 -0.204 1.00 0.00 H new ATOM 0 HG CYS A 62 -3.585 1.570 2.256 1.00 0.00 H new ATOM 1007 N ALA A 63 -2.203 4.292 -0.635 1.00 0.00 N ATOM 1008 CA ALA A 63 -0.757 4.604 -0.451 1.00 0.00 C ATOM 1009 C ALA A 63 -0.556 6.120 -0.401 1.00 0.00 C ATOM 1010 O ALA A 63 0.148 6.640 0.444 1.00 0.00 O ATOM 1011 CB ALA A 63 0.033 4.035 -1.631 1.00 0.00 C ATOM 0 H ALA A 63 -2.423 3.734 -1.460 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.408 4.161 0.482 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.092 4.260 -1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.106 2.955 -1.675 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.323 4.484 -2.558 1.00 0.00 H new ATOM 1017 N LYS A 64 -1.163 6.835 -1.304 1.00 0.00 N ATOM 1018 CA LYS A 64 -1.006 8.317 -1.307 1.00 0.00 C ATOM 1019 C LYS A 64 -1.593 8.895 -0.015 1.00 0.00 C ATOM 1020 O LYS A 64 -1.013 9.756 0.618 1.00 0.00 O ATOM 1021 CB LYS A 64 -1.751 8.900 -2.508 1.00 0.00 C ATOM 1022 CG LYS A 64 -1.058 8.472 -3.805 1.00 0.00 C ATOM 1023 CD LYS A 64 -1.809 9.059 -5.003 1.00 0.00 C ATOM 1024 CE LYS A 64 -1.116 8.631 -6.299 1.00 0.00 C ATOM 1025 NZ LYS A 64 -1.839 9.214 -7.465 1.00 0.00 N ATOM 0 H LYS A 64 -1.761 6.459 -2.040 1.00 0.00 H new ATOM 0 HA LYS A 64 0.052 8.573 -1.372 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.786 8.557 -2.507 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.776 9.988 -2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.023 8.815 -3.807 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.033 7.385 -3.875 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.844 8.716 -5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.834 10.146 -4.933 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.079 8.965 -6.297 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.100 7.544 -6.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.369 8.923 -8.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.822 8.874 -7.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.832 10.252 -7.395 1.00 0.00 H new ATOM 1039 N ILE A 65 -2.742 8.424 0.380 1.00 0.00 N ATOM 1040 CA ILE A 65 -3.374 8.933 1.634 1.00 0.00 C ATOM 1041 C ILE A 65 -2.505 8.542 2.838 1.00 0.00 C ATOM 1042 O ILE A 65 -2.286 9.325 3.742 1.00 0.00 O ATOM 1043 CB ILE A 65 -4.774 8.327 1.784 1.00 0.00 C ATOM 1044 CG1 ILE A 65 -5.690 8.873 0.681 1.00 0.00 C ATOM 1045 CG2 ILE A 65 -5.352 8.699 3.152 1.00 0.00 C ATOM 1046 CD1 ILE A 65 -7.002 8.084 0.662 1.00 0.00 C ATOM 0 H ILE A 65 -3.274 7.706 -0.111 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.457 10.019 1.587 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.707 7.242 1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.893 9.930 0.853 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.195 8.797 -0.287 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.347 8.267 3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.704 8.312 3.938 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.417 9.784 3.237 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.650 8.475 -0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.791 7.032 0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.500 8.183 1.627 1.00 0.00 H new ATOM 1058 N ILE A 66 -2.020 7.331 2.861 1.00 0.00 N ATOM 1059 CA ILE A 66 -1.170 6.880 4.007 1.00 0.00 C ATOM 1060 C ILE A 66 0.113 7.716 4.055 1.00 0.00 C ATOM 1061 O ILE A 66 0.545 8.154 5.102 1.00 0.00 O ATOM 1062 CB ILE A 66 -0.808 5.399 3.811 1.00 0.00 C ATOM 1063 CG1 ILE A 66 -2.071 4.517 3.963 1.00 0.00 C ATOM 1064 CG2 ILE A 66 0.258 4.978 4.835 1.00 0.00 C ATOM 1065 CD1 ILE A 66 -2.328 4.180 5.441 1.00 0.00 C ATOM 0 H ILE A 66 -2.174 6.631 2.136 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.717 7.006 4.941 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.405 5.264 2.807 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.935 5.037 3.548 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.948 3.597 3.392 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.508 3.927 4.689 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.152 5.586 4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.130 5.122 5.844 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.220 3.560 5.523 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.472 3.640 5.845 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.474 5.102 6.004 1.00 0.00 H new ATOM 1077 N ILE A 67 0.724 7.937 2.929 1.00 0.00 N ATOM 1078 CA ILE A 67 1.976 8.746 2.905 1.00 0.00 C ATOM 1079 C ILE A 67 1.667 10.178 3.356 1.00 0.00 C ATOM 1080 O ILE A 67 2.390 10.770 4.134 1.00 0.00 O ATOM 1081 CB ILE A 67 2.518 8.769 1.470 1.00 0.00 C ATOM 1082 CG1 ILE A 67 3.024 7.374 1.082 1.00 0.00 C ATOM 1083 CG2 ILE A 67 3.663 9.776 1.360 1.00 0.00 C ATOM 1084 CD1 ILE A 67 3.208 7.299 -0.436 1.00 0.00 C ATOM 0 H ILE A 67 0.412 7.593 2.021 1.00 0.00 H new ATOM 0 HA ILE A 67 2.715 8.309 3.576 1.00 0.00 H new ATOM 0 HB ILE A 67 1.715 9.063 0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.969 7.166 1.584 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.315 6.614 1.411 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.042 9.786 0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.300 10.770 1.622 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.465 9.491 2.041 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.568 6.307 -0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.254 7.488 -0.928 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.934 8.048 -0.752 1.00 0.00 H new ATOM 1096 N ASP A 68 0.602 10.737 2.860 1.00 0.00 N ATOM 1097 CA ASP A 68 0.230 12.129 3.242 1.00 0.00 C ATOM 1098 C ASP A 68 -0.151 12.178 4.725 1.00 0.00 C ATOM 1099 O ASP A 68 0.213 13.086 5.447 1.00 0.00 O ATOM 1100 CB ASP A 68 -0.959 12.571 2.387 1.00 0.00 C ATOM 1101 CG ASP A 68 -1.281 14.039 2.662 1.00 0.00 C ATOM 1102 OD1 ASP A 68 -0.485 14.688 3.320 1.00 0.00 O ATOM 1103 OD2 ASP A 68 -2.323 14.489 2.214 1.00 0.00 O ATOM 0 H ASP A 68 -0.033 10.287 2.201 1.00 0.00 H new ATOM 0 HA ASP A 68 1.076 12.796 3.076 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.730 12.432 1.330 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.828 11.951 2.609 1.00 0.00 H new ATOM 1108 N SER A 69 -0.886 11.205 5.182 1.00 0.00 N ATOM 1109 CA SER A 69 -1.302 11.182 6.614 1.00 0.00 C ATOM 1110 C SER A 69 -0.076 10.958 7.504 1.00 0.00 C ATOM 1111 O SER A 69 0.030 11.498 8.589 1.00 0.00 O ATOM 1112 CB SER A 69 -2.297 10.042 6.830 1.00 0.00 C ATOM 1113 OG SER A 69 -1.685 8.811 6.464 1.00 0.00 O ATOM 0 H SER A 69 -1.219 10.419 4.623 1.00 0.00 H new ATOM 0 HA SER A 69 -1.767 12.133 6.872 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.611 10.010 7.873 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.194 10.208 6.233 1.00 0.00 H new ATOM 0 HG SER A 69 -0.910 8.989 5.892 1.00 0.00 H new ATOM 1119 N HIS A 70 0.851 10.170 7.048 1.00 0.00 N ATOM 1120 CA HIS A 70 2.079 9.907 7.851 1.00 0.00 C ATOM 1121 C HIS A 70 2.825 11.221 8.094 1.00 0.00 C ATOM 1122 O HIS A 70 3.286 11.498 9.184 1.00 0.00 O ATOM 1123 CB HIS A 70 2.978 8.946 7.072 1.00 0.00 C ATOM 1124 CG HIS A 70 4.227 8.658 7.859 1.00 0.00 C ATOM 1125 ND1 HIS A 70 4.251 7.746 8.903 1.00 0.00 N ATOM 1126 CD2 HIS A 70 5.503 9.150 7.762 1.00 0.00 C ATOM 1127 CE1 HIS A 70 5.506 7.720 9.389 1.00 0.00 C ATOM 1128 NE2 HIS A 70 6.309 8.557 8.729 1.00 0.00 N ATOM 0 H HIS A 70 0.814 9.692 6.148 1.00 0.00 H new ATOM 0 HA HIS A 70 1.807 9.468 8.811 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.443 8.018 6.870 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.238 9.380 6.107 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.833 9.886 7.044 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.824 7.098 10.212 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.301 8.726 8.897 1.00 0.00 H new ATOM 1136 N LEU A 71 2.948 12.031 7.084 1.00 0.00 N ATOM 1137 CA LEU A 71 3.660 13.331 7.247 1.00 0.00 C ATOM 1138 C LEU A 71 2.902 14.218 8.234 1.00 0.00 C ATOM 1139 O LEU A 71 3.484 14.887 9.066 1.00 0.00 O ATOM 1140 CB LEU A 71 3.722 14.039 5.891 1.00 0.00 C ATOM 1141 CG LEU A 71 4.641 13.266 4.932 1.00 0.00 C ATOM 1142 CD1 LEU A 71 4.489 13.838 3.517 1.00 0.00 C ATOM 1143 CD2 LEU A 71 6.113 13.377 5.385 1.00 0.00 C ATOM 0 H LEU A 71 2.586 11.851 6.148 1.00 0.00 H new ATOM 0 HA LEU A 71 4.666 13.147 7.624 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.721 14.115 5.466 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.091 15.056 6.020 1.00 0.00 H new ATOM 0 HG LEU A 71 4.357 12.214 4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.139 13.293 2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.453 13.736 3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.766 14.892 3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.749 12.824 4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.413 14.425 5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.218 12.961 6.387 1.00 0.00 H new ATOM 1155 N ASP A 72 1.604 14.242 8.138 1.00 0.00 N ATOM 1156 CA ASP A 72 0.804 15.095 9.061 1.00 0.00 C ATOM 1157 C ASP A 72 0.569 14.367 10.383 1.00 0.00 C ATOM 1158 O ASP A 72 1.196 14.658 11.384 1.00 0.00 O ATOM 1159 CB ASP A 72 -0.547 15.407 8.417 1.00 0.00 C ATOM 1160 CG ASP A 72 -0.349 16.373 7.248 1.00 0.00 C ATOM 1161 OD1 ASP A 72 0.758 16.861 7.090 1.00 0.00 O ATOM 1162 OD2 ASP A 72 -1.307 16.606 6.531 1.00 0.00 O ATOM 0 H ASP A 72 1.061 13.708 7.460 1.00 0.00 H new ATOM 0 HA ASP A 72 1.351 16.018 9.252 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.015 14.487 8.066 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.220 15.846 9.154 1.00 0.00 H new ATOM 1167 N ARG A 73 -0.349 13.429 10.401 1.00 0.00 N ATOM 1168 CA ARG A 73 -0.653 12.681 11.665 1.00 0.00 C ATOM 1169 C ARG A 73 -0.148 11.233 11.552 1.00 0.00 C ATOM 1170 O ARG A 73 1.018 10.986 11.304 1.00 0.00 O ATOM 1171 CB ARG A 73 -2.172 12.677 11.892 1.00 0.00 C ATOM 1172 CG ARG A 73 -2.474 12.277 13.344 1.00 0.00 C ATOM 1173 CD ARG A 73 -3.985 12.213 13.570 1.00 0.00 C ATOM 1174 NE ARG A 73 -4.553 11.067 12.799 1.00 0.00 N ATOM 1175 CZ ARG A 73 -5.842 10.861 12.770 1.00 0.00 C ATOM 1176 NH1 ARG A 73 -6.651 11.656 13.416 1.00 0.00 N ATOM 1177 NH2 ARG A 73 -6.324 9.854 12.094 1.00 0.00 N ATOM 0 H ARG A 73 -0.903 13.148 9.592 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.154 13.167 12.503 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.584 13.664 11.683 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.651 11.980 11.205 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.025 11.308 13.563 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.027 12.998 14.028 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.200 12.094 14.632 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.451 13.146 13.253 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.929 10.440 12.291 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.277 12.443 13.947 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.657 11.491 13.390 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.694 9.230 11.590 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.331 9.691 12.070 1.00 0.00 H new ATOM 1191 N HIS A 74 -1.034 10.278 11.743 1.00 0.00 N ATOM 1192 CA HIS A 74 -0.669 8.833 11.673 1.00 0.00 C ATOM 1193 C HIS A 74 0.730 8.608 12.257 1.00 0.00 C ATOM 1194 O HIS A 74 1.728 8.621 11.563 1.00 0.00 O ATOM 1195 CB HIS A 74 -0.739 8.357 10.213 1.00 0.00 C ATOM 1196 CG HIS A 74 -2.171 8.046 9.852 1.00 0.00 C ATOM 1197 ND1 HIS A 74 -3.183 8.992 9.952 1.00 0.00 N ATOM 1198 CD2 HIS A 74 -2.775 6.901 9.396 1.00 0.00 C ATOM 1199 CE1 HIS A 74 -4.329 8.403 9.564 1.00 0.00 C ATOM 1200 NE2 HIS A 74 -4.137 7.129 9.214 1.00 0.00 N ATOM 0 H HIS A 74 -2.018 10.451 11.949 1.00 0.00 H new ATOM 0 HA HIS A 74 -1.376 8.252 12.265 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -0.345 9.127 9.549 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.118 7.471 10.078 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -2.271 5.965 9.207 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -5.287 8.900 9.539 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -4.837 6.465 8.884 1.00 0.00 H new ATOM 1208 N ASP A 75 0.799 8.408 13.543 1.00 0.00 N ATOM 1209 CA ASP A 75 2.111 8.183 14.201 1.00 0.00 C ATOM 1210 C ASP A 75 2.646 6.799 13.831 1.00 0.00 C ATOM 1211 O ASP A 75 1.896 5.865 13.629 1.00 0.00 O ATOM 1212 CB ASP A 75 1.938 8.285 15.718 1.00 0.00 C ATOM 1213 CG ASP A 75 3.301 8.167 16.406 1.00 0.00 C ATOM 1214 OD1 ASP A 75 4.302 8.226 15.713 1.00 0.00 O ATOM 1215 OD2 ASP A 75 3.319 8.021 17.619 1.00 0.00 O ATOM 0 H ASP A 75 -0.006 8.391 14.170 1.00 0.00 H new ATOM 0 HA ASP A 75 2.822 8.938 13.864 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.471 9.235 15.977 1.00 0.00 H new ATOM 0 HB3 ASP A 75 1.273 7.497 16.071 1.00 0.00 H new ATOM 1220 N GLN A 76 3.945 6.670 13.746 1.00 0.00 N ATOM 1221 CA GLN A 76 4.573 5.361 13.395 1.00 0.00 C ATOM 1222 C GLN A 76 4.057 4.856 12.047 1.00 0.00 C ATOM 1223 O GLN A 76 2.929 5.101 11.658 1.00 0.00 O ATOM 1224 CB GLN A 76 4.263 4.318 14.479 1.00 0.00 C ATOM 1225 CG GLN A 76 4.913 4.741 15.796 1.00 0.00 C ATOM 1226 CD GLN A 76 6.438 4.693 15.659 1.00 0.00 C ATOM 1227 OE1 GLN A 76 6.993 3.695 15.243 1.00 0.00 O ATOM 1228 NE2 GLN A 76 7.145 5.738 15.994 1.00 0.00 N ATOM 0 H GLN A 76 4.607 7.429 13.908 1.00 0.00 H new ATOM 0 HA GLN A 76 5.651 5.510 13.328 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.185 4.222 14.608 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.636 3.340 14.175 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.594 5.749 16.063 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.590 4.081 16.601 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.681 6.577 16.343 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.161 5.716 15.906 1.00 0.00 H new ATOM 1237 N GLY A 77 4.885 4.139 11.328 1.00 0.00 N ATOM 1238 CA GLY A 77 4.471 3.599 9.997 1.00 0.00 C ATOM 1239 C GLY A 77 5.628 3.727 9.006 1.00 0.00 C ATOM 1240 O GLY A 77 6.306 2.763 8.699 1.00 0.00 O ATOM 0 H GLY A 77 5.837 3.903 11.609 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.176 2.554 10.094 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.601 4.143 9.628 1.00 0.00 H new ATOM 1244 N LEU A 78 5.852 4.911 8.494 1.00 0.00 N ATOM 1245 CA LEU A 78 6.956 5.125 7.508 1.00 0.00 C ATOM 1246 C LEU A 78 8.088 5.921 8.172 1.00 0.00 C ATOM 1247 O LEU A 78 8.869 6.587 7.517 1.00 0.00 O ATOM 1248 CB LEU A 78 6.394 5.905 6.315 1.00 0.00 C ATOM 1249 CG LEU A 78 5.074 5.260 5.869 1.00 0.00 C ATOM 1250 CD1 LEU A 78 4.525 6.005 4.650 1.00 0.00 C ATOM 1251 CD2 LEU A 78 5.309 3.788 5.508 1.00 0.00 C ATOM 0 H LEU A 78 5.312 5.747 8.719 1.00 0.00 H new ATOM 0 HA LEU A 78 7.353 4.168 7.169 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.229 6.947 6.591 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.110 5.903 5.493 1.00 0.00 H new ATOM 0 HG LEU A 78 4.354 5.318 6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.588 5.546 4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.348 7.049 4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.247 5.952 3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.369 3.336 5.192 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.033 3.724 4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.693 3.257 6.379 1.00 0.00 H new ATOM 1263 N ALA A 79 8.187 5.847 9.470 1.00 0.00 N ATOM 1264 CA ALA A 79 9.270 6.583 10.188 1.00 0.00 C ATOM 1265 C ALA A 79 10.634 6.015 9.779 1.00 0.00 C ATOM 1266 O ALA A 79 11.607 6.732 9.638 1.00 0.00 O ATOM 1267 CB ALA A 79 9.081 6.407 11.696 1.00 0.00 C ATOM 0 H ALA A 79 7.563 5.307 10.069 1.00 0.00 H new ATOM 0 HA ALA A 79 9.226 7.641 9.930 1.00 0.00 H new ATOM 0 HB1 ALA A 79 9.869 6.942 12.226 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.110 6.806 11.990 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.129 5.348 11.948 1.00 0.00 H new ATOM 1273 N ASP A 80 10.711 4.726 9.601 1.00 0.00 N ATOM 1274 CA ASP A 80 12.008 4.093 9.209 1.00 0.00 C ATOM 1275 C ASP A 80 12.420 4.590 7.817 1.00 0.00 C ATOM 1276 O ASP A 80 13.589 4.771 7.527 1.00 0.00 O ATOM 1277 CB ASP A 80 11.826 2.565 9.176 1.00 0.00 C ATOM 1278 CG ASP A 80 12.017 1.982 10.580 1.00 0.00 C ATOM 1279 OD1 ASP A 80 12.020 2.752 11.524 1.00 0.00 O ATOM 1280 OD2 ASP A 80 12.145 0.772 10.683 1.00 0.00 O ATOM 0 H ASP A 80 9.930 4.078 9.710 1.00 0.00 H new ATOM 0 HA ASP A 80 12.782 4.358 9.929 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.832 2.317 8.803 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.545 2.120 8.488 1.00 0.00 H new ATOM 1285 N LEU A 81 11.472 4.801 6.954 1.00 0.00 N ATOM 1286 CA LEU A 81 11.802 5.276 5.581 1.00 0.00 C ATOM 1287 C LEU A 81 11.975 6.795 5.602 1.00 0.00 C ATOM 1288 O LEU A 81 11.975 7.453 4.577 1.00 0.00 O ATOM 1289 CB LEU A 81 10.671 4.890 4.625 1.00 0.00 C ATOM 1290 CG LEU A 81 10.470 3.369 4.650 1.00 0.00 C ATOM 1291 CD1 LEU A 81 9.312 2.998 3.718 1.00 0.00 C ATOM 1292 CD2 LEU A 81 11.759 2.654 4.196 1.00 0.00 C ATOM 0 H LEU A 81 10.478 4.665 7.138 1.00 0.00 H new ATOM 0 HA LEU A 81 12.729 4.814 5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.749 5.393 4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.909 5.219 3.613 1.00 0.00 H new ATOM 0 HG LEU A 81 10.237 3.053 5.667 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.165 1.918 3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.401 3.493 4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.545 3.319 2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.604 1.575 4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.009 2.964 3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.577 2.917 4.867 1.00 0.00 H new ATOM 1304 N GLY A 82 12.111 7.365 6.765 1.00 0.00 N ATOM 1305 CA GLY A 82 12.284 8.841 6.857 1.00 0.00 C ATOM 1306 C GLY A 82 11.876 9.309 8.254 1.00 0.00 C ATOM 1307 O GLY A 82 10.823 9.921 8.371 1.00 0.00 O ATOM 1308 OXT GLY A 82 12.620 9.051 9.183 1.00 0.00 O ATOM 0 H GLY A 82 12.110 6.872 7.658 1.00 0.00 H new ATOM 0 HA2 GLY A 82 13.321 9.111 6.659 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.675 9.338 6.102 1.00 0.00 H new TER 1312 GLY A 82