USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 404 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 Single : A 1 VAL N :NH3+ -154:sc= 1.15 (180deg=-0.0627) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.00081) USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 11 SER OG : rot 180:sc= 0.026 USER MOD Single : A 12 HIS : no HD1:sc= -0.0148 X(o=-0.015,f=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.618 K(o=0.62,f=-3.2!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 165:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.37) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.077 X(o=-0.077,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 5.778 19.949 4.805 1.00 0.00 N ATOM 2 CA VAL A 1 4.569 20.770 5.043 1.00 0.00 C ATOM 3 C VAL A 1 3.729 20.144 6.101 1.00 0.00 C ATOM 4 O VAL A 1 3.775 18.928 6.284 1.00 0.00 O ATOM 5 CB VAL A 1 3.840 20.914 3.740 1.00 0.00 C ATOM 6 CG1 VAL A 1 2.552 21.746 3.851 1.00 0.00 C ATOM 7 CG2 VAL A 1 4.749 21.567 2.686 1.00 0.00 C ATOM 0 H1 VAL A 1 6.540 20.552 4.435 1.00 0.00 H new ATOM 0 H2 VAL A 1 6.084 19.514 5.699 1.00 0.00 H new ATOM 0 H3 VAL A 1 5.560 19.203 4.114 1.00 0.00 H new ATOM 0 HA VAL A 1 4.833 21.764 5.404 1.00 0.00 H new ATOM 0 HB VAL A 1 3.562 19.903 3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 1 2.075 21.810 2.873 1.00 0.00 H new ATOM 0 HG12 VAL A 1 1.871 21.270 4.556 1.00 0.00 H new ATOM 0 HG13 VAL A 1 2.796 22.749 4.202 1.00 0.00 H new ATOM 0 HG21 VAL A 1 4.205 21.664 1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 1 5.056 22.554 3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 1 5.631 20.946 2.532 1.00 0.00 H new ATOM 19 N VAL A 2 2.957 20.916 6.887 1.00 0.00 N ATOM 20 CA VAL A 2 2.125 20.389 7.924 1.00 0.00 C ATOM 21 C VAL A 2 0.781 20.060 7.370 1.00 0.00 C ATOM 22 O VAL A 2 -0.056 20.937 7.161 1.00 0.00 O ATOM 23 CB VAL A 2 1.999 21.328 9.086 1.00 0.00 C ATOM 24 CG1 VAL A 2 1.205 20.669 10.227 1.00 0.00 C ATOM 25 CG2 VAL A 2 3.402 21.702 9.591 1.00 0.00 C ATOM 0 H VAL A 2 2.910 21.931 6.800 1.00 0.00 H new ATOM 0 HA VAL A 2 2.598 19.482 8.301 1.00 0.00 H new ATOM 0 HB VAL A 2 1.469 22.223 8.760 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.123 21.364 11.062 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.208 20.408 9.873 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.721 19.767 10.555 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.314 22.385 10.436 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.928 20.801 9.906 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.960 22.186 8.790 1.00 0.00 H new ATOM 35 N SER A 3 0.533 18.769 7.089 1.00 0.00 N ATOM 36 CA SER A 3 -0.638 18.289 6.424 1.00 0.00 C ATOM 37 C SER A 3 -1.246 17.153 7.172 1.00 0.00 C ATOM 38 O SER A 3 -0.679 16.654 8.143 1.00 0.00 O ATOM 39 CB SER A 3 -0.370 17.811 4.987 1.00 0.00 C ATOM 40 OG SER A 3 0.379 18.764 4.248 1.00 0.00 O ATOM 0 H SER A 3 1.182 18.023 7.338 1.00 0.00 H new ATOM 0 HA SER A 3 -1.315 19.142 6.386 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.170 16.865 5.013 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.318 17.623 4.483 1.00 0.00 H new ATOM 0 HG SER A 3 0.532 18.427 3.341 1.00 0.00 H new ATOM 46 N HIS A 4 -2.446 16.696 6.772 1.00 0.00 N ATOM 47 CA HIS A 4 -3.088 15.546 7.330 1.00 0.00 C ATOM 48 C HIS A 4 -2.674 14.311 6.606 1.00 0.00 C ATOM 49 O HIS A 4 -2.186 14.389 5.480 1.00 0.00 O ATOM 50 CB HIS A 4 -4.622 15.600 7.244 1.00 0.00 C ATOM 51 CG HIS A 4 -5.248 16.850 7.786 1.00 0.00 C ATOM 52 ND1 HIS A 4 -5.392 17.985 7.032 1.00 0.00 N ATOM 53 CD2 HIS A 4 -5.790 17.123 9.003 1.00 0.00 C ATOM 54 CE1 HIS A 4 -5.991 18.913 7.754 1.00 0.00 C ATOM 55 NE2 HIS A 4 -6.239 18.415 8.951 1.00 0.00 N ATOM 0 H HIS A 4 -2.989 17.143 6.033 1.00 0.00 H new ATOM 0 HA HIS A 4 -2.783 15.534 8.377 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -4.916 15.489 6.200 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -5.031 14.745 7.783 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -5.854 16.451 9.846 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -6.237 19.911 7.422 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -6.693 18.914 9.716 1.00 0.00 H new ATOM 64 N PHE A 5 -2.850 13.125 7.215 1.00 0.00 N ATOM 65 CA PHE A 5 -2.598 11.858 6.602 1.00 0.00 C ATOM 66 C PHE A 5 -3.880 11.117 6.433 1.00 0.00 C ATOM 67 O PHE A 5 -4.569 10.802 7.402 1.00 0.00 O ATOM 68 CB PHE A 5 -1.599 11.069 7.466 1.00 0.00 C ATOM 69 CG PHE A 5 -1.068 9.821 6.849 1.00 0.00 C ATOM 70 CD1 PHE A 5 -0.516 9.822 5.589 1.00 0.00 C ATOM 71 CD2 PHE A 5 -1.052 8.657 7.579 1.00 0.00 C ATOM 72 CE1 PHE A 5 0.045 8.680 5.067 1.00 0.00 C ATOM 73 CE2 PHE A 5 -0.487 7.512 7.071 1.00 0.00 C ATOM 74 CZ PHE A 5 0.058 7.522 5.807 1.00 0.00 C ATOM 0 H PHE A 5 -3.182 13.046 8.176 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.161 11.998 5.613 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.759 11.721 7.707 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.083 10.811 8.408 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.523 10.729 5.003 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.490 8.642 8.566 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.475 8.693 4.076 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.471 6.608 7.661 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.494 6.623 5.398 1.00 0.00 H new ATOM 84 N ASN A 6 -4.280 10.827 5.182 1.00 0.00 N ATOM 85 CA ASN A 6 -5.539 10.234 4.850 1.00 0.00 C ATOM 86 C ASN A 6 -5.343 9.034 3.990 1.00 0.00 C ATOM 87 O ASN A 6 -4.219 8.649 3.669 1.00 0.00 O ATOM 88 CB ASN A 6 -6.465 11.227 4.130 1.00 0.00 C ATOM 89 CG ASN A 6 -6.557 12.548 4.880 1.00 0.00 C ATOM 90 OD1 ASN A 6 -5.786 13.472 4.623 1.00 0.00 O ATOM 91 ND2 ASN A 6 -7.534 12.669 5.817 1.00 0.00 N ATOM 0 H ASN A 6 -3.699 11.014 4.365 1.00 0.00 H new ATOM 0 HA ASN A 6 -6.010 9.940 5.788 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -6.094 11.406 3.121 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -7.460 10.793 4.032 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.643 13.544 6.330 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -8.158 11.885 6.008 1.00 0.00 H new ATOM 98 N ASP A 7 -6.442 8.375 3.579 1.00 0.00 N ATOM 99 CA ASP A 7 -6.448 7.272 2.668 1.00 0.00 C ATOM 100 C ASP A 7 -6.532 7.803 1.279 1.00 0.00 C ATOM 101 O ASP A 7 -7.254 8.774 1.057 1.00 0.00 O ATOM 102 CB ASP A 7 -7.666 6.407 3.029 1.00 0.00 C ATOM 103 CG ASP A 7 -7.727 5.091 2.265 1.00 0.00 C ATOM 104 OD1 ASP A 7 -6.874 4.202 2.529 1.00 0.00 O ATOM 105 OD2 ASP A 7 -8.640 4.929 1.411 1.00 0.00 O ATOM 0 H ASP A 7 -7.377 8.626 3.900 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.543 6.667 2.733 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.647 6.196 4.098 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -8.575 6.975 2.832 1.00 0.00 H new ATOM 110 N CYS A 8 -5.787 7.232 0.316 1.00 0.00 N ATOM 111 CA CYS A 8 -5.519 7.730 -0.998 1.00 0.00 C ATOM 112 C CYS A 8 -6.688 8.132 -1.829 1.00 0.00 C ATOM 113 O CYS A 8 -7.285 7.256 -2.454 1.00 0.00 O ATOM 114 CB CYS A 8 -4.729 6.704 -1.828 1.00 0.00 C ATOM 115 SG CYS A 8 -3.022 6.445 -1.263 1.00 0.00 S ATOM 0 H CYS A 8 -5.329 6.335 0.475 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.959 8.640 -0.780 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -5.256 5.750 -1.804 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.710 7.032 -2.867 1.00 0.00 H new ATOM 120 N PRO A 9 -7.096 9.363 -1.921 1.00 0.00 N ATOM 121 CA PRO A 9 -8.332 9.721 -2.554 1.00 0.00 C ATOM 122 C PRO A 9 -8.204 9.862 -4.032 1.00 0.00 C ATOM 123 O PRO A 9 -8.876 9.144 -4.772 1.00 0.00 O ATOM 124 CB PRO A 9 -8.735 11.018 -1.856 1.00 0.00 C ATOM 125 CG PRO A 9 -7.427 11.669 -1.379 1.00 0.00 C ATOM 126 CD PRO A 9 -6.415 10.512 -1.346 1.00 0.00 C ATOM 0 HA PRO A 9 -9.093 8.948 -2.450 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.272 11.677 -2.538 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.400 10.818 -1.016 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.106 12.459 -2.058 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.545 12.123 -0.395 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.520 10.761 -1.917 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.094 10.304 -0.325 1.00 0.00 H new ATOM 134 N LEU A 10 -7.353 10.789 -4.507 1.00 0.00 N ATOM 135 CA LEU A 10 -7.068 11.054 -5.883 1.00 0.00 C ATOM 136 C LEU A 10 -6.265 9.975 -6.524 1.00 0.00 C ATOM 137 O LEU A 10 -6.397 9.705 -7.717 1.00 0.00 O ATOM 138 CB LEU A 10 -6.314 12.381 -6.074 1.00 0.00 C ATOM 139 CG LEU A 10 -7.124 13.669 -5.850 1.00 0.00 C ATOM 140 CD1 LEU A 10 -7.457 13.959 -4.377 1.00 0.00 C ATOM 141 CD2 LEU A 10 -6.351 14.875 -6.409 1.00 0.00 C ATOM 0 H LEU A 10 -6.826 11.398 -3.881 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.045 11.109 -6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.463 12.391 -5.393 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.912 12.402 -7.087 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.068 13.512 -6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.029 14.884 -4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.046 13.138 -3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.533 14.061 -3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.930 15.785 -6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.391 14.960 -5.899 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.183 14.736 -7.477 1.00 0.00 H new ATOM 153 N SER A 11 -5.357 9.342 -5.758 1.00 0.00 N ATOM 154 CA SER A 11 -4.291 8.527 -6.253 1.00 0.00 C ATOM 155 C SER A 11 -4.710 7.204 -6.795 1.00 0.00 C ATOM 156 O SER A 11 -5.647 6.581 -6.298 1.00 0.00 O ATOM 157 CB SER A 11 -3.209 8.288 -5.186 1.00 0.00 C ATOM 158 OG SER A 11 -3.161 9.350 -4.245 1.00 0.00 O ATOM 0 H SER A 11 -5.368 9.403 -4.740 1.00 0.00 H new ATOM 0 HA SER A 11 -3.894 9.109 -7.084 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.409 7.350 -4.668 1.00 0.00 H new ATOM 0 HB3 SER A 11 -2.237 8.184 -5.669 1.00 0.00 H new ATOM 0 HG SER A 11 -2.465 9.167 -3.580 1.00 0.00 H new ATOM 164 N HIS A 12 -4.026 6.700 -7.838 1.00 0.00 N ATOM 165 CA HIS A 12 -4.326 5.443 -8.448 1.00 0.00 C ATOM 166 C HIS A 12 -3.137 4.544 -8.489 1.00 0.00 C ATOM 167 O HIS A 12 -1.993 4.981 -8.382 1.00 0.00 O ATOM 168 CB HIS A 12 -4.863 5.592 -9.881 1.00 0.00 C ATOM 169 CG HIS A 12 -6.140 6.374 -9.964 1.00 0.00 C ATOM 170 ND1 HIS A 12 -6.164 7.733 -10.133 1.00 0.00 N ATOM 171 CD2 HIS A 12 -7.437 5.972 -9.887 1.00 0.00 C ATOM 172 CE1 HIS A 12 -7.418 8.146 -10.152 1.00 0.00 C ATOM 173 NE2 HIS A 12 -8.207 7.097 -10.010 1.00 0.00 N ATOM 0 H HIS A 12 -3.239 7.184 -8.270 1.00 0.00 H new ATOM 0 HA HIS A 12 -5.101 5.003 -7.821 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.107 6.081 -10.495 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -5.025 4.601 -10.304 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.791 4.960 -9.754 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -7.743 9.170 -10.265 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -9.227 7.121 -9.994 1.00 0.00 H new ATOM 182 N ASP A 13 -3.375 3.229 -8.636 1.00 0.00 N ATOM 183 CA ASP A 13 -2.381 2.201 -8.614 1.00 0.00 C ATOM 184 C ASP A 13 -1.596 2.095 -9.875 1.00 0.00 C ATOM 185 O ASP A 13 -2.006 2.561 -10.937 1.00 0.00 O ATOM 186 CB ASP A 13 -3.041 0.838 -8.350 1.00 0.00 C ATOM 187 CG ASP A 13 -3.772 0.864 -7.016 1.00 0.00 C ATOM 188 OD1 ASP A 13 -3.089 1.022 -5.969 1.00 0.00 O ATOM 189 OD2 ASP A 13 -5.026 0.744 -6.992 1.00 0.00 O ATOM 0 H ASP A 13 -4.316 2.862 -8.778 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.691 2.477 -7.817 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.740 0.601 -9.152 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.285 0.053 -8.344 1.00 0.00 H new ATOM 194 N GLY A 14 -0.403 1.475 -9.814 1.00 0.00 N ATOM 195 CA GLY A 14 0.403 1.260 -10.975 1.00 0.00 C ATOM 196 C GLY A 14 1.716 0.640 -10.640 1.00 0.00 C ATOM 197 O GLY A 14 1.979 -0.513 -10.976 1.00 0.00 O ATOM 0 H GLY A 14 0.006 1.119 -8.950 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.133 0.617 -11.674 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.570 2.211 -11.481 1.00 0.00 H new ATOM 201 N TYR A 15 2.607 1.394 -9.973 1.00 0.00 N ATOM 202 CA TYR A 15 3.916 0.950 -9.605 1.00 0.00 C ATOM 203 C TYR A 15 3.900 -0.141 -8.591 1.00 0.00 C ATOM 204 O TYR A 15 4.587 -1.150 -8.743 1.00 0.00 O ATOM 205 CB TYR A 15 4.790 2.115 -9.111 1.00 0.00 C ATOM 206 CG TYR A 15 6.226 1.725 -9.178 1.00 0.00 C ATOM 207 CD1 TYR A 15 6.840 1.615 -10.404 1.00 0.00 C ATOM 208 CD2 TYR A 15 6.906 1.342 -8.047 1.00 0.00 C ATOM 209 CE1 TYR A 15 8.113 1.108 -10.505 1.00 0.00 C ATOM 210 CE2 TYR A 15 8.180 0.834 -8.139 1.00 0.00 C ATOM 211 CZ TYR A 15 8.783 0.713 -9.370 1.00 0.00 C ATOM 212 OH TYR A 15 10.091 0.198 -9.477 1.00 0.00 O ATOM 0 H TYR A 15 2.409 2.350 -9.678 1.00 0.00 H new ATOM 0 HA TYR A 15 4.353 0.540 -10.515 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.614 3.000 -9.723 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.521 2.376 -8.088 1.00 0.00 H new ATOM 0 HD1 TYR A 15 6.317 1.930 -11.295 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.436 1.441 -7.079 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.586 1.020 -11.472 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.707 0.530 -7.246 1.00 0.00 H new ATOM 0 HH TYR A 15 10.425 -0.034 -8.585 1.00 0.00 H new ATOM 222 N CYS A 16 3.095 0.018 -7.525 1.00 0.00 N ATOM 223 CA CYS A 16 2.819 -0.994 -6.553 1.00 0.00 C ATOM 224 C CYS A 16 1.482 -1.566 -6.877 1.00 0.00 C ATOM 225 O CYS A 16 0.484 -0.850 -6.926 1.00 0.00 O ATOM 226 CB CYS A 16 2.808 -0.425 -5.124 1.00 0.00 C ATOM 227 SG CYS A 16 4.408 0.334 -4.721 1.00 0.00 S ATOM 0 H CYS A 16 2.613 0.896 -7.332 1.00 0.00 H new ATOM 0 HA CYS A 16 3.599 -1.754 -6.588 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.014 0.316 -5.029 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.588 -1.221 -4.412 1.00 0.00 H new ATOM 232 N LEU A 17 1.427 -2.879 -7.165 1.00 0.00 N ATOM 233 CA LEU A 17 0.321 -3.496 -7.829 1.00 0.00 C ATOM 234 C LEU A 17 -0.177 -4.679 -7.070 1.00 0.00 C ATOM 235 O LEU A 17 0.434 -5.119 -6.098 1.00 0.00 O ATOM 236 CB LEU A 17 0.633 -3.809 -9.302 1.00 0.00 C ATOM 237 CG LEU A 17 1.888 -4.603 -9.700 1.00 0.00 C ATOM 238 CD1 LEU A 17 3.209 -3.825 -9.574 1.00 0.00 C ATOM 239 CD2 LEU A 17 2.021 -5.987 -9.042 1.00 0.00 C ATOM 0 H LEU A 17 2.175 -3.531 -6.929 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.497 -2.776 -7.849 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.225 -4.350 -9.701 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.681 -2.855 -9.827 1.00 0.00 H new ATOM 0 HG LEU A 17 1.710 -4.772 -10.762 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.038 -4.465 -9.876 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.176 -2.946 -10.217 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.350 -3.512 -8.539 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.937 -6.467 -9.386 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.056 -5.873 -7.959 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.164 -6.603 -9.314 1.00 0.00 H new ATOM 251 N HIS A 18 -1.331 -5.225 -7.490 1.00 0.00 N ATOM 252 CA HIS A 18 -1.919 -6.424 -6.977 1.00 0.00 C ATOM 253 C HIS A 18 -2.544 -6.321 -5.628 1.00 0.00 C ATOM 254 O HIS A 18 -2.622 -7.316 -4.909 1.00 0.00 O ATOM 255 CB HIS A 18 -0.970 -7.633 -7.049 1.00 0.00 C ATOM 256 CG HIS A 18 -1.649 -8.970 -7.049 1.00 0.00 C ATOM 257 ND1 HIS A 18 -1.177 -10.052 -6.353 1.00 0.00 N ATOM 258 CD2 HIS A 18 -2.785 -9.375 -7.678 1.00 0.00 C ATOM 259 CE1 HIS A 18 -1.998 -11.069 -6.536 1.00 0.00 C ATOM 260 NE2 HIS A 18 -2.980 -10.685 -7.330 1.00 0.00 N ATOM 0 H HIS A 18 -1.888 -4.804 -8.233 1.00 0.00 H new ATOM 0 HA HIS A 18 -2.751 -6.590 -7.661 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.366 -7.549 -7.952 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.285 -7.590 -6.202 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -0.329 -10.069 -5.786 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.411 -8.779 -8.326 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.885 -12.054 -6.107 1.00 0.00 H new ATOM 269 N ASP A 19 -3.065 -5.130 -5.283 1.00 0.00 N ATOM 270 CA ASP A 19 -3.664 -4.780 -4.032 1.00 0.00 C ATOM 271 C ASP A 19 -2.649 -4.538 -2.969 1.00 0.00 C ATOM 272 O ASP A 19 -2.388 -5.380 -2.110 1.00 0.00 O ATOM 273 CB ASP A 19 -4.806 -5.726 -3.626 1.00 0.00 C ATOM 274 CG ASP A 19 -5.670 -5.204 -2.486 1.00 0.00 C ATOM 275 OD1 ASP A 19 -6.067 -4.010 -2.526 1.00 0.00 O ATOM 276 OD2 ASP A 19 -6.007 -5.988 -1.559 1.00 0.00 O ATOM 0 H ASP A 19 -3.067 -4.346 -5.936 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.157 -3.818 -4.174 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.440 -5.907 -4.494 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.381 -6.687 -3.335 1.00 0.00 H new ATOM 281 N GLY A 20 -2.058 -3.331 -2.965 1.00 0.00 N ATOM 282 CA GLY A 20 -1.080 -2.890 -2.018 1.00 0.00 C ATOM 283 C GLY A 20 -1.640 -1.867 -1.092 1.00 0.00 C ATOM 284 O GLY A 20 -2.761 -1.387 -1.264 1.00 0.00 O ATOM 0 H GLY A 20 -2.275 -2.621 -3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.718 -3.743 -1.444 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.222 -2.474 -2.546 1.00 0.00 H new ATOM 288 N VAL A 21 -0.877 -1.473 -0.057 1.00 0.00 N ATOM 289 CA VAL A 21 -1.282 -0.444 0.850 1.00 0.00 C ATOM 290 C VAL A 21 -0.780 0.868 0.350 1.00 0.00 C ATOM 291 O VAL A 21 0.420 1.141 0.343 1.00 0.00 O ATOM 292 CB VAL A 21 -0.866 -0.682 2.272 1.00 0.00 C ATOM 293 CG1 VAL A 21 -1.529 0.361 3.189 1.00 0.00 C ATOM 294 CG2 VAL A 21 -1.292 -2.098 2.693 1.00 0.00 C ATOM 0 H VAL A 21 0.036 -1.875 0.154 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.372 -0.446 0.877 1.00 0.00 H new ATOM 0 HB VAL A 21 0.217 -0.589 2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.224 0.185 4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.220 1.361 2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.613 0.277 3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.992 -2.276 3.726 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.375 -2.193 2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.812 -2.830 2.044 1.00 0.00 H new ATOM 304 N CYS A 22 -1.700 1.726 -0.121 1.00 0.00 N ATOM 305 CA CYS A 22 -1.400 2.991 -0.717 1.00 0.00 C ATOM 306 C CYS A 22 -1.141 4.025 0.324 1.00 0.00 C ATOM 307 O CYS A 22 -1.954 4.255 1.218 1.00 0.00 O ATOM 308 CB CYS A 22 -2.543 3.440 -1.642 1.00 0.00 C ATOM 309 SG CYS A 22 -2.300 5.016 -2.509 1.00 0.00 S ATOM 0 H CYS A 22 -2.700 1.529 -0.085 1.00 0.00 H new ATOM 0 HA CYS A 22 -0.495 2.873 -1.313 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.707 2.661 -2.387 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.455 3.512 -1.050 1.00 0.00 H new ATOM 314 N MET A 23 0.017 4.703 0.231 1.00 0.00 N ATOM 315 CA MET A 23 0.308 5.863 1.015 1.00 0.00 C ATOM 316 C MET A 23 0.693 6.966 0.091 1.00 0.00 C ATOM 317 O MET A 23 1.544 6.829 -0.787 1.00 0.00 O ATOM 318 CB MET A 23 1.414 5.581 2.046 1.00 0.00 C ATOM 319 CG MET A 23 1.009 4.493 3.043 1.00 0.00 C ATOM 320 SD MET A 23 2.298 4.074 4.254 1.00 0.00 S ATOM 321 CE MET A 23 1.238 2.892 5.134 1.00 0.00 C ATOM 0 H MET A 23 0.769 4.438 -0.405 1.00 0.00 H new ATOM 0 HA MET A 23 -0.576 6.153 1.584 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.323 5.276 1.527 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.647 6.498 2.586 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.117 4.820 3.577 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.738 3.593 2.491 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.791 2.457 5.967 1.00 0.00 H new ATOM 0 HE2 MET A 23 0.356 3.407 5.514 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.930 2.101 4.451 1.00 0.00 H new ATOM 331 N TYR A 24 0.051 8.138 0.238 1.00 0.00 N ATOM 332 CA TYR A 24 0.420 9.330 -0.461 1.00 0.00 C ATOM 333 C TYR A 24 0.573 10.354 0.611 1.00 0.00 C ATOM 334 O TYR A 24 -0.254 10.438 1.516 1.00 0.00 O ATOM 335 CB TYR A 24 -0.638 9.698 -1.516 1.00 0.00 C ATOM 336 CG TYR A 24 -0.391 11.041 -2.113 1.00 0.00 C ATOM 337 CD1 TYR A 24 0.736 11.294 -2.859 1.00 0.00 C ATOM 338 CD2 TYR A 24 -1.282 12.052 -1.841 1.00 0.00 C ATOM 339 CE1 TYR A 24 0.977 12.568 -3.317 1.00 0.00 C ATOM 340 CE2 TYR A 24 -1.032 13.323 -2.304 1.00 0.00 C ATOM 341 CZ TYR A 24 0.094 13.586 -3.047 1.00 0.00 C ATOM 342 OH TYR A 24 0.305 14.899 -3.521 1.00 0.00 O ATOM 0 H TYR A 24 -0.748 8.261 0.861 1.00 0.00 H new ATOM 0 HA TYR A 24 1.342 9.228 -1.033 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.640 8.946 -2.305 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.627 9.682 -1.058 1.00 0.00 H new ATOM 0 HD1 TYR A 24 1.428 10.496 -3.084 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.174 11.849 -1.267 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.867 12.770 -3.894 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.726 14.120 -2.082 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.431 15.475 -3.226 1.00 0.00 H new ATOM 352 N ILE A 25 1.670 11.133 0.578 1.00 0.00 N ATOM 353 CA ILE A 25 2.021 12.043 1.624 1.00 0.00 C ATOM 354 C ILE A 25 1.935 13.435 1.099 1.00 0.00 C ATOM 355 O ILE A 25 2.842 13.937 0.438 1.00 0.00 O ATOM 356 CB ILE A 25 3.389 11.716 2.145 1.00 0.00 C ATOM 357 CG1 ILE A 25 3.512 10.263 2.637 1.00 0.00 C ATOM 358 CG2 ILE A 25 3.689 12.661 3.322 1.00 0.00 C ATOM 359 CD1 ILE A 25 4.055 9.278 1.602 1.00 0.00 C ATOM 0 H ILE A 25 2.331 11.129 -0.199 1.00 0.00 H new ATOM 0 HA ILE A 25 1.329 11.952 2.461 1.00 0.00 H new ATOM 0 HB ILE A 25 4.097 11.841 1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.163 10.244 3.511 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.530 9.921 2.963 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.680 12.443 3.720 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.655 13.694 2.977 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.944 12.516 4.104 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.106 8.281 2.040 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.395 9.260 0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.053 9.589 1.292 1.00 0.00 H new ATOM 371 N GLU A 26 0.858 14.159 1.453 1.00 0.00 N ATOM 372 CA GLU A 26 0.613 15.523 1.101 1.00 0.00 C ATOM 373 C GLU A 26 1.589 16.464 1.720 1.00 0.00 C ATOM 374 O GLU A 26 1.936 17.498 1.151 1.00 0.00 O ATOM 375 CB GLU A 26 -0.814 15.944 1.491 1.00 0.00 C ATOM 376 CG GLU A 26 -1.882 15.295 0.610 1.00 0.00 C ATOM 377 CD GLU A 26 -3.297 15.755 0.935 1.00 0.00 C ATOM 378 OE1 GLU A 26 -3.589 16.977 0.847 1.00 0.00 O ATOM 379 OE2 GLU A 26 -4.158 14.887 1.238 1.00 0.00 O ATOM 0 H GLU A 26 0.110 13.764 2.023 1.00 0.00 H new ATOM 0 HA GLU A 26 0.733 15.581 0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.996 15.676 2.532 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.901 17.028 1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.666 15.519 -0.435 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.825 14.212 0.722 1.00 0.00 H new ATOM 386 N ALA A 27 2.118 16.106 2.903 1.00 0.00 N ATOM 387 CA ALA A 27 3.153 16.805 3.602 1.00 0.00 C ATOM 388 C ALA A 27 4.432 16.967 2.855 1.00 0.00 C ATOM 389 O ALA A 27 5.162 17.934 3.067 1.00 0.00 O ATOM 390 CB ALA A 27 3.453 16.069 4.918 1.00 0.00 C ATOM 0 H ALA A 27 1.803 15.275 3.404 1.00 0.00 H new ATOM 0 HA ALA A 27 2.766 17.812 3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.241 16.595 5.457 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.552 16.038 5.531 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.779 15.052 4.700 1.00 0.00 H new ATOM 396 N LEU A 28 4.765 16.010 1.971 1.00 0.00 N ATOM 397 CA LEU A 28 6.033 15.944 1.313 1.00 0.00 C ATOM 398 C LEU A 28 5.951 15.999 -0.174 1.00 0.00 C ATOM 399 O LEU A 28 6.976 16.234 -0.811 1.00 0.00 O ATOM 400 CB LEU A 28 6.774 14.661 1.721 1.00 0.00 C ATOM 401 CG LEU A 28 7.010 14.483 3.230 1.00 0.00 C ATOM 402 CD1 LEU A 28 7.688 13.131 3.510 1.00 0.00 C ATOM 403 CD2 LEU A 28 7.844 15.620 3.845 1.00 0.00 C ATOM 0 H LEU A 28 4.131 15.257 1.705 1.00 0.00 H new ATOM 0 HA LEU A 28 6.576 16.833 1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.208 13.804 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.740 14.644 1.216 1.00 0.00 H new ATOM 0 HG LEU A 28 6.028 14.512 3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.848 13.020 4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.050 12.323 3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.647 13.091 2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.977 15.438 4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.819 15.660 3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.328 16.569 3.700 1.00 0.00 H new ATOM 415 N ASP A 29 4.766 15.758 -0.764 1.00 0.00 N ATOM 416 CA ASP A 29 4.479 15.659 -2.161 1.00 0.00 C ATOM 417 C ASP A 29 4.833 14.319 -2.706 1.00 0.00 C ATOM 418 O ASP A 29 4.960 14.119 -3.914 1.00 0.00 O ATOM 419 CB ASP A 29 5.059 16.828 -2.975 1.00 0.00 C ATOM 420 CG ASP A 29 4.354 17.112 -4.293 1.00 0.00 C ATOM 421 OD1 ASP A 29 3.175 17.558 -4.258 1.00 0.00 O ATOM 422 OD2 ASP A 29 4.962 16.949 -5.385 1.00 0.00 O ATOM 0 H ASP A 29 3.926 15.619 -0.203 1.00 0.00 H new ATOM 0 HA ASP A 29 3.398 15.752 -2.270 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.025 17.729 -2.362 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.109 16.621 -3.180 1.00 0.00 H new ATOM 427 N LYS A 30 5.023 13.306 -1.841 1.00 0.00 N ATOM 428 CA LYS A 30 5.613 12.053 -2.194 1.00 0.00 C ATOM 429 C LYS A 30 4.700 10.884 -2.047 1.00 0.00 C ATOM 430 O LYS A 30 3.658 10.931 -1.396 1.00 0.00 O ATOM 431 CB LYS A 30 6.895 11.786 -1.385 1.00 0.00 C ATOM 432 CG LYS A 30 7.936 12.907 -1.432 1.00 0.00 C ATOM 433 CD LYS A 30 8.352 13.316 -2.846 1.00 0.00 C ATOM 434 CE LYS A 30 9.237 14.561 -2.928 1.00 0.00 C ATOM 435 NZ LYS A 30 10.548 14.348 -2.277 1.00 0.00 N ATOM 0 H LYS A 30 4.755 13.363 -0.858 1.00 0.00 H new ATOM 0 HA LYS A 30 5.847 12.152 -3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.620 11.610 -0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.354 10.869 -1.753 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.537 13.780 -0.916 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.822 12.589 -0.882 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.881 12.482 -3.308 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.452 13.489 -3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.390 14.830 -3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.728 15.400 -2.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.119 15.214 -2.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.404 14.116 -1.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.045 13.564 -2.745 1.00 0.00 H new ATOM 449 N TYR A 31 5.084 9.761 -2.679 1.00 0.00 N ATOM 450 CA TYR A 31 4.378 8.517 -2.664 1.00 0.00 C ATOM 451 C TYR A 31 5.104 7.505 -1.846 1.00 0.00 C ATOM 452 O TYR A 31 6.329 7.532 -1.748 1.00 0.00 O ATOM 453 CB TYR A 31 4.278 7.951 -4.091 1.00 0.00 C ATOM 454 CG TYR A 31 3.088 8.487 -4.810 1.00 0.00 C ATOM 455 CD1 TYR A 31 3.062 9.762 -5.323 1.00 0.00 C ATOM 456 CD2 TYR A 31 1.993 7.673 -4.977 1.00 0.00 C ATOM 457 CE1 TYR A 31 1.952 10.226 -5.988 1.00 0.00 C ATOM 458 CE2 TYR A 31 0.888 8.120 -5.661 1.00 0.00 C ATOM 459 CZ TYR A 31 0.865 9.401 -6.160 1.00 0.00 C ATOM 460 OH TYR A 31 -0.270 9.852 -6.867 1.00 0.00 O ATOM 0 H TYR A 31 5.939 9.719 -3.234 1.00 0.00 H new ATOM 0 HA TYR A 31 3.390 8.708 -2.244 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.182 8.200 -4.646 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.219 6.863 -4.049 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.921 10.405 -5.203 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.001 6.674 -4.567 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.934 11.235 -6.374 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.040 7.467 -5.806 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.834 9.086 -7.102 1.00 0.00 H new ATOM 470 N ALA A 32 4.384 6.534 -1.257 1.00 0.00 N ATOM 471 CA ALA A 32 4.993 5.373 -0.686 1.00 0.00 C ATOM 472 C ALA A 32 4.078 4.199 -0.741 1.00 0.00 C ATOM 473 O ALA A 32 2.872 4.327 -0.946 1.00 0.00 O ATOM 474 CB ALA A 32 5.426 5.625 0.769 1.00 0.00 C ATOM 0 H ALA A 32 3.367 6.554 -1.176 1.00 0.00 H new ATOM 0 HA ALA A 32 5.880 5.154 -1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.885 4.723 1.173 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.146 6.443 0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.554 5.888 1.368 1.00 0.00 H new ATOM 480 N CYS A 33 4.613 2.975 -0.581 1.00 0.00 N ATOM 481 CA CYS A 33 3.832 1.778 -0.555 1.00 0.00 C ATOM 482 C CYS A 33 4.139 1.016 0.688 1.00 0.00 C ATOM 483 O CYS A 33 5.296 0.942 1.100 1.00 0.00 O ATOM 484 CB CYS A 33 4.138 0.867 -1.756 1.00 0.00 C ATOM 485 SG CYS A 33 3.919 1.734 -3.336 1.00 0.00 S ATOM 0 H CYS A 33 5.614 2.814 -0.467 1.00 0.00 H new ATOM 0 HA CYS A 33 2.783 2.072 -0.594 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.162 0.500 -1.682 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.484 -0.005 -1.726 1.00 0.00 H new ATOM 490 N ASN A 34 3.133 0.409 1.343 1.00 0.00 N ATOM 491 CA ASN A 34 3.383 -0.583 2.342 1.00 0.00 C ATOM 492 C ASN A 34 2.716 -1.858 1.956 1.00 0.00 C ATOM 493 O ASN A 34 1.923 -1.904 1.017 1.00 0.00 O ATOM 494 CB ASN A 34 2.981 -0.081 3.739 1.00 0.00 C ATOM 495 CG ASN A 34 3.810 -0.749 4.826 1.00 0.00 C ATOM 496 OD1 ASN A 34 5.039 -0.767 4.761 1.00 0.00 O ATOM 497 ND2 ASN A 34 3.140 -1.353 5.844 1.00 0.00 N ATOM 0 H ASN A 34 2.145 0.606 1.180 1.00 0.00 H new ATOM 0 HA ASN A 34 4.453 -0.782 2.402 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.112 1.000 3.791 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.923 -0.282 3.910 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.657 -1.837 6.579 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.121 -1.322 5.873 1.00 0.00 H new ATOM 504 N CYS A 35 3.016 -2.961 2.665 1.00 0.00 N ATOM 505 CA CYS A 35 2.389 -4.229 2.453 1.00 0.00 C ATOM 506 C CYS A 35 1.806 -4.729 3.730 1.00 0.00 C ATOM 507 O CYS A 35 2.246 -4.380 4.825 1.00 0.00 O ATOM 508 CB CYS A 35 3.382 -5.278 1.924 1.00 0.00 C ATOM 509 SG CYS A 35 4.130 -4.809 0.337 1.00 0.00 S ATOM 0 H CYS A 35 3.715 -2.971 3.408 1.00 0.00 H new ATOM 0 HA CYS A 35 1.608 -4.081 1.707 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.171 -5.428 2.661 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.868 -6.232 1.809 1.00 0.00 H new ATOM 514 N VAL A 36 0.781 -5.594 3.627 1.00 0.00 N ATOM 515 CA VAL A 36 0.178 -6.296 4.716 1.00 0.00 C ATOM 516 C VAL A 36 1.022 -7.439 5.165 1.00 0.00 C ATOM 517 O VAL A 36 1.949 -7.871 4.483 1.00 0.00 O ATOM 518 CB VAL A 36 -1.195 -6.782 4.359 1.00 0.00 C ATOM 519 CG1 VAL A 36 -2.219 -5.694 4.723 1.00 0.00 C ATOM 520 CG2 VAL A 36 -1.297 -7.111 2.860 1.00 0.00 C ATOM 0 H VAL A 36 0.349 -5.815 2.730 1.00 0.00 H new ATOM 0 HA VAL A 36 0.092 -5.588 5.540 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.400 -7.695 4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.221 -6.038 4.467 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.167 -5.489 5.792 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.995 -4.783 4.168 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.304 -7.461 2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.083 -6.216 2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.577 -7.890 2.609 1.00 0.00 H new ATOM 530 N VAL A 37 0.752 -7.982 6.366 1.00 0.00 N ATOM 531 CA VAL A 37 1.499 -9.063 6.930 1.00 0.00 C ATOM 532 C VAL A 37 1.149 -10.358 6.282 1.00 0.00 C ATOM 533 O VAL A 37 -0.011 -10.758 6.209 1.00 0.00 O ATOM 534 CB VAL A 37 1.322 -9.142 8.419 1.00 0.00 C ATOM 535 CG1 VAL A 37 2.123 -10.305 9.028 1.00 0.00 C ATOM 536 CG2 VAL A 37 1.798 -7.821 9.045 1.00 0.00 C ATOM 0 H VAL A 37 -0.009 -7.659 6.963 1.00 0.00 H new ATOM 0 HA VAL A 37 2.553 -8.863 6.735 1.00 0.00 H new ATOM 0 HB VAL A 37 0.266 -9.315 8.629 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.968 -10.328 10.107 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.786 -11.246 8.593 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.183 -10.167 8.816 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.674 -7.866 10.127 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.850 -7.663 8.806 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.208 -6.996 8.646 1.00 0.00 H new ATOM 546 N GLY A 38 2.158 -11.070 5.748 1.00 0.00 N ATOM 547 CA GLY A 38 1.991 -12.286 5.015 1.00 0.00 C ATOM 548 C GLY A 38 1.995 -12.068 3.541 1.00 0.00 C ATOM 549 O GLY A 38 1.571 -12.925 2.765 1.00 0.00 O ATOM 0 H GLY A 38 3.134 -10.785 5.831 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.790 -12.978 5.279 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.052 -12.757 5.307 1.00 0.00 H new ATOM 553 N TYR A 39 2.515 -10.903 3.116 1.00 0.00 N ATOM 554 CA TYR A 39 2.770 -10.552 1.754 1.00 0.00 C ATOM 555 C TYR A 39 4.221 -10.236 1.633 1.00 0.00 C ATOM 556 O TYR A 39 4.812 -9.619 2.518 1.00 0.00 O ATOM 557 CB TYR A 39 1.967 -9.321 1.301 1.00 0.00 C ATOM 558 CG TYR A 39 0.615 -9.705 0.807 1.00 0.00 C ATOM 559 CD1 TYR A 39 -0.369 -10.153 1.657 1.00 0.00 C ATOM 560 CD2 TYR A 39 0.324 -9.538 -0.526 1.00 0.00 C ATOM 561 CE1 TYR A 39 -1.632 -10.417 1.183 1.00 0.00 C ATOM 562 CE2 TYR A 39 -0.944 -9.775 -1.002 1.00 0.00 C ATOM 563 CZ TYR A 39 -1.924 -10.217 -0.146 1.00 0.00 C ATOM 564 OH TYR A 39 -3.225 -10.464 -0.634 1.00 0.00 O ATOM 0 H TYR A 39 2.773 -10.160 3.765 1.00 0.00 H new ATOM 0 HA TYR A 39 2.471 -11.390 1.124 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.867 -8.624 2.133 1.00 0.00 H new ATOM 0 HB3 TYR A 39 2.510 -8.801 0.512 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.148 -10.298 2.704 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.099 -9.217 -1.206 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.395 -10.782 1.854 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.169 -9.614 -2.046 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.257 -10.270 -1.594 1.00 0.00 H new ATOM 574 N ILE A 40 4.843 -10.667 0.521 1.00 0.00 N ATOM 575 CA ILE A 40 6.235 -10.491 0.244 1.00 0.00 C ATOM 576 C ILE A 40 6.416 -9.960 -1.137 1.00 0.00 C ATOM 577 O ILE A 40 5.488 -9.859 -1.937 1.00 0.00 O ATOM 578 CB ILE A 40 7.039 -11.731 0.498 1.00 0.00 C ATOM 579 CG1 ILE A 40 6.393 -12.983 -0.118 1.00 0.00 C ATOM 580 CG2 ILE A 40 7.229 -11.873 2.019 1.00 0.00 C ATOM 581 CD1 ILE A 40 7.181 -14.269 0.127 1.00 0.00 C ATOM 0 H ILE A 40 4.350 -11.163 -0.222 1.00 0.00 H new ATOM 0 HA ILE A 40 6.627 -9.753 0.944 1.00 0.00 H new ATOM 0 HB ILE A 40 8.010 -11.638 0.011 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.389 -13.100 0.290 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.285 -12.833 -1.192 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.812 -12.769 2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.755 -10.999 2.403 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.255 -11.951 2.502 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.662 -15.108 -0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.177 -14.174 -0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.267 -14.444 1.199 1.00 0.00 H new ATOM 593 N GLY A 41 7.653 -9.547 -1.465 1.00 0.00 N ATOM 594 CA GLY A 41 8.008 -8.865 -2.670 1.00 0.00 C ATOM 595 C GLY A 41 8.118 -7.395 -2.448 1.00 0.00 C ATOM 596 O GLY A 41 7.342 -6.787 -1.714 1.00 0.00 O ATOM 0 H GLY A 41 8.453 -9.699 -0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.957 -9.251 -3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.260 -9.064 -3.437 1.00 0.00 H new ATOM 600 N GLU A 42 9.068 -6.736 -3.136 1.00 0.00 N ATOM 601 CA GLU A 42 9.247 -5.318 -3.127 1.00 0.00 C ATOM 602 C GLU A 42 8.126 -4.655 -3.852 1.00 0.00 C ATOM 603 O GLU A 42 7.658 -3.575 -3.493 1.00 0.00 O ATOM 604 CB GLU A 42 10.583 -4.968 -3.803 1.00 0.00 C ATOM 605 CG GLU A 42 10.786 -3.503 -4.192 1.00 0.00 C ATOM 606 CD GLU A 42 12.092 -3.240 -4.930 1.00 0.00 C ATOM 607 OE1 GLU A 42 12.908 -4.176 -5.144 1.00 0.00 O ATOM 608 OE2 GLU A 42 12.310 -2.065 -5.330 1.00 0.00 O ATOM 0 H GLU A 42 9.745 -7.217 -3.728 1.00 0.00 H new ATOM 0 HA GLU A 42 9.256 -4.964 -2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.392 -5.258 -3.132 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.681 -5.577 -4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.954 -3.185 -4.820 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.758 -2.890 -3.291 1.00 0.00 H new ATOM 615 N ARG A 43 7.612 -5.334 -4.894 1.00 0.00 N ATOM 616 CA ARG A 43 6.483 -4.912 -5.663 1.00 0.00 C ATOM 617 C ARG A 43 5.176 -5.300 -5.061 1.00 0.00 C ATOM 618 O ARG A 43 4.129 -5.121 -5.680 1.00 0.00 O ATOM 619 CB ARG A 43 6.650 -5.423 -7.103 1.00 0.00 C ATOM 620 CG ARG A 43 6.520 -6.932 -7.318 1.00 0.00 C ATOM 621 CD ARG A 43 7.436 -7.540 -8.383 1.00 0.00 C ATOM 622 NE ARG A 43 7.307 -6.759 -9.645 1.00 0.00 N ATOM 623 CZ ARG A 43 8.002 -7.068 -10.779 1.00 0.00 C ATOM 624 NH1 ARG A 43 8.632 -8.263 -10.970 1.00 0.00 N ATOM 625 NH2 ARG A 43 8.107 -6.124 -11.760 1.00 0.00 N ATOM 0 H ARG A 43 8.003 -6.220 -5.215 1.00 0.00 H new ATOM 0 HA ARG A 43 6.457 -3.822 -5.669 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.909 -4.926 -7.728 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.631 -5.112 -7.463 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.717 -7.432 -6.370 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.487 -7.153 -7.587 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.470 -7.529 -8.039 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.169 -8.582 -8.557 1.00 0.00 H new ATOM 0 HE ARG A 43 6.673 -5.960 -9.663 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.598 -8.979 -10.245 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.137 -8.440 -11.838 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.671 -5.210 -11.637 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.621 -6.333 -12.616 1.00 0.00 H new ATOM 639 N CYS A 44 5.187 -5.812 -3.817 1.00 0.00 N ATOM 640 CA CYS A 44 4.068 -6.049 -2.960 1.00 0.00 C ATOM 641 C CYS A 44 3.086 -7.057 -3.451 1.00 0.00 C ATOM 642 O CYS A 44 1.892 -7.012 -3.160 1.00 0.00 O ATOM 643 CB CYS A 44 3.374 -4.731 -2.576 1.00 0.00 C ATOM 644 SG CYS A 44 2.565 -4.737 -0.951 1.00 0.00 S ATOM 0 H CYS A 44 6.063 -6.085 -3.372 1.00 0.00 H new ATOM 0 HA CYS A 44 4.498 -6.504 -2.068 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.113 -3.930 -2.595 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.629 -4.495 -3.336 1.00 0.00 H new ATOM 649 N GLN A 45 3.554 -8.037 -4.246 1.00 0.00 N ATOM 650 CA GLN A 45 2.684 -8.809 -5.076 1.00 0.00 C ATOM 651 C GLN A 45 2.223 -10.092 -4.475 1.00 0.00 C ATOM 652 O GLN A 45 1.070 -10.488 -4.639 1.00 0.00 O ATOM 653 CB GLN A 45 3.401 -9.104 -6.404 1.00 0.00 C ATOM 654 CG GLN A 45 2.452 -9.476 -7.544 1.00 0.00 C ATOM 655 CD GLN A 45 3.162 -9.998 -8.786 1.00 0.00 C ATOM 656 OE1 GLN A 45 2.846 -11.077 -9.283 1.00 0.00 O ATOM 657 NE2 GLN A 45 4.120 -9.197 -9.322 1.00 0.00 N ATOM 0 H GLN A 45 4.539 -8.294 -4.313 1.00 0.00 H new ATOM 0 HA GLN A 45 1.786 -8.208 -5.218 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.981 -8.228 -6.696 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.109 -9.919 -6.252 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.753 -10.234 -7.190 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.862 -8.600 -7.815 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.350 -8.309 -8.876 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.609 -9.484 -10.170 1.00 0.00 H new ATOM 666 N TYR A 46 3.137 -10.817 -3.806 1.00 0.00 N ATOM 667 CA TYR A 46 2.991 -12.216 -3.550 1.00 0.00 C ATOM 668 C TYR A 46 2.461 -12.453 -2.178 1.00 0.00 C ATOM 669 O TYR A 46 2.971 -11.898 -1.206 1.00 0.00 O ATOM 670 CB TYR A 46 4.319 -12.982 -3.663 1.00 0.00 C ATOM 671 CG TYR A 46 5.161 -12.525 -4.804 1.00 0.00 C ATOM 672 CD1 TYR A 46 4.807 -12.790 -6.106 1.00 0.00 C ATOM 673 CD2 TYR A 46 6.318 -11.824 -4.556 1.00 0.00 C ATOM 674 CE1 TYR A 46 5.589 -12.351 -7.148 1.00 0.00 C ATOM 675 CE2 TYR A 46 7.104 -11.373 -5.590 1.00 0.00 C ATOM 676 CZ TYR A 46 6.734 -11.635 -6.888 1.00 0.00 C ATOM 677 OH TYR A 46 7.541 -11.155 -7.941 1.00 0.00 O ATOM 0 H TYR A 46 4.000 -10.420 -3.433 1.00 0.00 H new ATOM 0 HA TYR A 46 2.298 -12.581 -4.309 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.879 -12.865 -2.736 1.00 0.00 H new ATOM 0 HB3 TYR A 46 4.110 -14.046 -3.777 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.906 -13.348 -6.312 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.613 -11.625 -3.536 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.305 -12.568 -8.167 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.006 -10.816 -5.384 1.00 0.00 H new ATOM 0 HH TYR A 46 8.308 -10.670 -7.571 1.00 0.00 H new ATOM 687 N ARG A 47 1.441 -13.318 -2.025 1.00 0.00 N ATOM 688 CA ARG A 47 0.958 -13.696 -0.733 1.00 0.00 C ATOM 689 C ARG A 47 1.505 -15.024 -0.334 1.00 0.00 C ATOM 690 O ARG A 47 1.701 -15.921 -1.151 1.00 0.00 O ATOM 691 CB ARG A 47 -0.576 -13.660 -0.644 1.00 0.00 C ATOM 692 CG ARG A 47 -1.335 -14.570 -1.611 1.00 0.00 C ATOM 693 CD ARG A 47 -2.843 -14.311 -1.592 1.00 0.00 C ATOM 694 NE ARG A 47 -3.503 -15.269 -2.523 1.00 0.00 N ATOM 695 CZ ARG A 47 -3.606 -15.081 -3.871 1.00 0.00 C ATOM 696 NH1 ARG A 47 -3.085 -13.988 -4.500 1.00 0.00 N ATOM 697 NH2 ARG A 47 -4.246 -16.009 -4.642 1.00 0.00 N ATOM 0 H ARG A 47 0.948 -13.758 -2.802 1.00 0.00 H new ATOM 0 HA ARG A 47 1.319 -12.953 -0.022 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.865 -13.925 0.373 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.904 -12.634 -0.812 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.956 -14.419 -2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.144 -15.611 -1.351 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.235 -14.434 -0.582 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.054 -13.285 -1.893 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.903 -16.120 -2.128 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.597 -13.273 -3.960 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.184 -13.885 -5.510 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.647 -16.842 -4.210 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.323 -15.869 -5.649 1.00 0.00 H new ATOM 711 N ASP A 48 1.799 -15.194 0.967 1.00 0.00 N ATOM 712 CA ASP A 48 2.340 -16.400 1.514 1.00 0.00 C ATOM 713 C ASP A 48 1.245 -17.280 2.009 1.00 0.00 C ATOM 714 O ASP A 48 0.589 -16.985 3.007 1.00 0.00 O ATOM 715 CB ASP A 48 3.318 -16.038 2.645 1.00 0.00 C ATOM 716 CG ASP A 48 4.104 -17.235 3.161 1.00 0.00 C ATOM 717 OD1 ASP A 48 4.248 -18.237 2.410 1.00 0.00 O ATOM 718 OD2 ASP A 48 4.636 -17.163 4.301 1.00 0.00 O ATOM 0 H ASP A 48 1.655 -14.464 1.665 1.00 0.00 H new ATOM 0 HA ASP A 48 2.878 -16.950 0.742 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.015 -15.281 2.286 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.761 -15.593 3.470 1.00 0.00 H new ATOM 723 N LEU A 49 0.976 -18.412 1.334 1.00 0.00 N ATOM 724 CA LEU A 49 -0.124 -19.266 1.658 1.00 0.00 C ATOM 725 C LEU A 49 0.167 -20.267 2.723 1.00 0.00 C ATOM 726 O LEU A 49 -0.741 -20.889 3.271 1.00 0.00 O ATOM 727 CB LEU A 49 -0.642 -19.991 0.405 1.00 0.00 C ATOM 728 CG LEU A 49 -1.132 -19.053 -0.711 1.00 0.00 C ATOM 729 CD1 LEU A 49 -1.695 -19.874 -1.882 1.00 0.00 C ATOM 730 CD2 LEU A 49 -2.208 -18.066 -0.225 1.00 0.00 C ATOM 0 H LEU A 49 1.535 -18.741 0.546 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.889 -18.600 2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.154 -20.622 0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.460 -20.652 0.694 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.268 -18.472 -1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.039 -19.200 -2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.915 -20.524 -2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.530 -20.481 -1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.518 -17.428 -1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.069 -18.621 0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.800 -17.449 0.576 1.00 0.00 H new ATOM 742 N LYS A 50 1.447 -20.457 3.090 1.00 0.00 N ATOM 743 CA LYS A 50 1.937 -21.464 3.980 1.00 0.00 C ATOM 744 C LYS A 50 1.420 -21.369 5.374 1.00 0.00 C ATOM 745 O LYS A 50 1.172 -22.380 6.029 1.00 0.00 O ATOM 746 CB LYS A 50 3.457 -21.301 3.809 1.00 0.00 C ATOM 747 CG LYS A 50 4.390 -22.057 4.756 1.00 0.00 C ATOM 748 CD LYS A 50 4.542 -21.313 6.084 1.00 0.00 C ATOM 749 CE LYS A 50 5.894 -21.485 6.779 1.00 0.00 C ATOM 750 NZ LYS A 50 5.904 -20.599 7.964 1.00 0.00 N ATOM 0 H LYS A 50 2.195 -19.861 2.737 1.00 0.00 H new ATOM 0 HA LYS A 50 1.593 -22.472 3.747 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.708 -21.598 2.791 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.687 -20.239 3.897 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.997 -23.057 4.938 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.367 -22.179 4.289 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.376 -20.250 5.907 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.758 -21.650 6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.043 -22.523 7.076 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.708 -21.228 6.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.813 -20.693 8.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.775 -19.612 7.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.130 -20.868 8.605 1.00 0.00 H new ATOM 764 N TRP A 51 1.208 -20.144 5.886 1.00 0.00 N ATOM 765 CA TRP A 51 0.678 -19.909 7.193 1.00 0.00 C ATOM 766 C TRP A 51 -0.812 -19.900 7.229 1.00 0.00 C ATOM 767 O TRP A 51 -1.425 -20.241 8.240 1.00 0.00 O ATOM 768 CB TRP A 51 1.251 -18.621 7.807 1.00 0.00 C ATOM 769 CG TRP A 51 0.860 -17.315 7.156 1.00 0.00 C ATOM 770 CD1 TRP A 51 1.345 -16.732 6.021 1.00 0.00 C ATOM 771 CD2 TRP A 51 -0.176 -16.445 7.646 1.00 0.00 C ATOM 772 NE1 TRP A 51 0.688 -15.556 5.771 1.00 0.00 N ATOM 773 CE2 TRP A 51 -0.250 -15.365 6.759 1.00 0.00 C ATOM 774 CE3 TRP A 51 -1.014 -16.526 8.724 1.00 0.00 C ATOM 775 CZ2 TRP A 51 -1.155 -14.359 6.954 1.00 0.00 C ATOM 776 CZ3 TRP A 51 -1.932 -15.516 8.904 1.00 0.00 C ATOM 777 CH2 TRP A 51 -1.998 -14.451 8.037 1.00 0.00 C ATOM 0 H TRP A 51 1.413 -19.287 5.372 1.00 0.00 H new ATOM 0 HA TRP A 51 0.997 -20.754 7.803 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.948 -18.581 8.853 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.338 -18.694 7.792 1.00 0.00 H new ATOM 0 HD1 TRP A 51 2.135 -17.140 5.407 1.00 0.00 H new ATOM 0 HE1 TRP A 51 0.864 -14.929 4.986 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.957 -17.356 9.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -1.206 -13.518 6.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.613 -15.561 9.741 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -2.726 -13.672 8.210 1.00 0.00 H new ATOM 788 N TRP A 52 -1.460 -19.521 6.114 1.00 0.00 N ATOM 789 CA TRP A 52 -2.877 -19.597 5.929 1.00 0.00 C ATOM 790 C TRP A 52 -3.378 -21.000 5.930 1.00 0.00 C ATOM 791 O TRP A 52 -4.333 -21.340 6.628 1.00 0.00 O ATOM 792 CB TRP A 52 -3.328 -18.938 4.614 1.00 0.00 C ATOM 793 CG TRP A 52 -3.333 -17.429 4.591 1.00 0.00 C ATOM 794 CD1 TRP A 52 -2.607 -16.571 3.815 1.00 0.00 C ATOM 795 CD2 TRP A 52 -4.236 -16.610 5.357 1.00 0.00 C ATOM 796 NE1 TRP A 52 -3.000 -15.278 4.037 1.00 0.00 N ATOM 797 CE2 TRP A 52 -3.989 -15.282 4.992 1.00 0.00 C ATOM 798 CE3 TRP A 52 -5.199 -16.915 6.280 1.00 0.00 C ATOM 799 CZ2 TRP A 52 -4.688 -14.254 5.563 1.00 0.00 C ATOM 800 CZ3 TRP A 52 -5.895 -15.876 6.851 1.00 0.00 C ATOM 801 CH2 TRP A 52 -5.640 -14.570 6.505 1.00 0.00 C ATOM 0 H TRP A 52 -0.973 -19.143 5.301 1.00 0.00 H new ATOM 0 HA TRP A 52 -3.299 -19.058 6.777 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.677 -19.290 3.814 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -4.334 -19.287 4.384 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.833 -16.870 3.124 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -2.623 -14.452 3.572 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -5.406 -17.940 6.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -4.499 -13.228 5.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -6.657 -16.090 7.586 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -6.197 -13.777 6.982 1.00 0.00 H new ATOM 812 N GLU A 53 -2.723 -21.892 5.165 1.00 0.00 N ATOM 813 CA GLU A 53 -3.039 -23.283 5.076 1.00 0.00 C ATOM 814 C GLU A 53 -2.428 -24.071 6.183 1.00 0.00 C ATOM 815 O GLU A 53 -1.724 -25.058 5.979 1.00 0.00 O ATOM 816 CB GLU A 53 -2.606 -23.848 3.712 1.00 0.00 C ATOM 817 CG GLU A 53 -3.303 -23.210 2.508 1.00 0.00 C ATOM 818 CD GLU A 53 -4.736 -23.679 2.299 1.00 0.00 C ATOM 819 OE1 GLU A 53 -5.576 -23.587 3.233 1.00 0.00 O ATOM 820 OE2 GLU A 53 -5.058 -24.114 1.160 1.00 0.00 O ATOM 0 H GLU A 53 -1.932 -21.628 4.578 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.121 -23.374 5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.529 -23.716 3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.798 -24.921 3.700 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.301 -22.127 2.632 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.726 -23.429 1.610 1.00 0.00 H new ATOM 827 N LEU A 54 -2.712 -23.668 7.434 1.00 0.00 N ATOM 828 CA LEU A 54 -2.377 -24.359 8.640 1.00 0.00 C ATOM 829 C LEU A 54 -3.690 -24.580 9.378 1.00 0.00 C ATOM 830 O LEU A 54 -4.353 -23.594 9.797 1.00 0.00 O ATOM 831 CB LEU A 54 -1.368 -23.539 9.462 1.00 0.00 C ATOM 832 CG LEU A 54 -0.550 -24.322 10.502 1.00 0.00 C ATOM 833 CD1 LEU A 54 0.647 -23.481 10.975 1.00 0.00 C ATOM 834 CD2 LEU A 54 -1.375 -24.768 11.722 1.00 0.00 C ATOM 835 OXT LEU A 54 -4.130 -25.753 9.509 1.00 0.00 O ATOM 0 H LEU A 54 -3.211 -22.797 7.614 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.893 -25.316 8.447 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.675 -23.056 8.773 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.909 -22.746 9.977 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.208 -25.228 10.001 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.220 -24.045 11.711 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.285 -23.244 10.123 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.287 -22.557 11.426 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.735 -25.315 12.414 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.786 -23.892 12.223 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.189 -25.414 11.394 1.00 0.00 H new