USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 566 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 71 TYR OH : rot -179:sc= 0.654 USER MOD Set 1.2: A 80 HIS : no HE2:sc= -1.66! C(o=-4!,f=-17!) USER MOD Set 1.3: A 85 HIS : no HD1:sc= -3! C(o=-4!,f=-19!) USER MOD Set 2.1: A 78 GLN :FLIP amide:sc= -3.95! C(o=-16!,f=-13!) USER MOD Set 2.2: A 82 ASN :FLIP amide:sc= -6.62! C(o=-26!,f=-13!) USER MOD Set 2.3: A 83 HIS :FLIP no HD1:sc= -2.81! C(o=-25!,f=-13!) USER MOD Set 3.1: A 53 CYS SG : rot 180:sc= 0.0504 USER MOD Set 3.2: A 57 SER OG : rot -149:sc= 0.0523 USER MOD Set 4.1: A 20 CYS SG : rot -129:sc= -1.29! USER MOD Set 4.2: A 22 HIS : no HE2:sc= -8.19! C(o=-12!,f=-20!) USER MOD Set 4.3: A 40 CYS SG : rot 36:sc= 0.661 USER MOD Set 4.4: A 43 CYS SG : rot -130:sc= -3.57! USER MOD Set 5.1: A 4 CYS SG : rot -161:sc= -0.0367! USER MOD Set 5.2: A 6 LYS NZ :NH3+ -131:sc= 0.618 (180deg=0) USER MOD Set 5.3: A 7 CYS SG : rot -155:sc= 0.881! USER MOD Set 5.4: A 25 CYS SG : rot 61:sc= -2.6! USER MOD Set 5.5: A 28 CYS SG : rot 158:sc= 0.67! USER MOD Single : A 12 LYS NZ :NH3+ -153:sc= -0.0203 (180deg=-0.335) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -168:sc= -3.73! (180deg=-4.62!) USER MOD Single : A 21 LYS NZ :NH3+ 154:sc= -0.14! (180deg=-0.331!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.714) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -64:sc= 0.41 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.267 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot 180:sc=-0.00691 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0942 USER MOD Single : A 74 GLN :FLIP amide:sc= -0.286 F(o=-2.9,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 37 N PHE A 3 -13.139 -9.921 3.928 1.00 0.00 N ATOM 38 CA PHE A 3 -12.772 -11.006 2.975 1.00 0.00 C ATOM 39 C PHE A 3 -11.971 -10.426 1.805 1.00 0.00 C ATOM 40 O PHE A 3 -12.441 -9.566 1.088 1.00 0.00 O ATOM 41 CB PHE A 3 -14.047 -11.665 2.446 1.00 0.00 C ATOM 42 CG PHE A 3 -14.862 -12.181 3.608 1.00 0.00 C ATOM 43 CD1 PHE A 3 -14.558 -13.422 4.179 1.00 0.00 C ATOM 44 CD2 PHE A 3 -15.920 -11.416 4.116 1.00 0.00 C ATOM 45 CE1 PHE A 3 -15.312 -13.900 5.258 1.00 0.00 C ATOM 46 CE2 PHE A 3 -16.673 -11.894 5.195 1.00 0.00 C ATOM 47 CZ PHE A 3 -16.370 -13.136 5.766 1.00 0.00 C ATOM 0 HA PHE A 3 -12.161 -11.747 3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -14.629 -10.946 1.870 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -13.794 -12.484 1.772 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -13.742 -14.011 3.788 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -16.155 -10.458 3.676 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -15.078 -14.858 5.698 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -17.488 -11.304 5.587 1.00 0.00 H new ATOM 0 HZ PHE A 3 -16.952 -13.505 6.598 1.00 0.00 H new ATOM 57 N CYS A 4 -10.763 -10.892 1.608 1.00 0.00 N ATOM 58 CA CYS A 4 -9.929 -10.374 0.487 1.00 0.00 C ATOM 59 C CYS A 4 -10.759 -10.275 -0.785 1.00 0.00 C ATOM 60 O CYS A 4 -11.633 -11.079 -1.038 1.00 0.00 O ATOM 61 CB CYS A 4 -8.788 -11.349 0.222 1.00 0.00 C ATOM 62 SG CYS A 4 -7.291 -10.424 -0.203 1.00 0.00 S ATOM 0 H CYS A 4 -10.319 -11.612 2.179 1.00 0.00 H new ATOM 0 HA CYS A 4 -9.549 -9.390 0.762 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -8.610 -11.965 1.103 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -9.054 -12.025 -0.591 1.00 0.00 H new ATOM 0 HG CYS A 4 -6.453 -11.211 -0.810 1.00 0.00 H new ATOM 67 N ASP A 5 -10.471 -9.307 -1.604 1.00 0.00 N ATOM 68 CA ASP A 5 -11.220 -9.172 -2.874 1.00 0.00 C ATOM 69 C ASP A 5 -10.614 -10.140 -3.889 1.00 0.00 C ATOM 70 O ASP A 5 -11.260 -10.544 -4.837 1.00 0.00 O ATOM 71 CB ASP A 5 -11.103 -7.740 -3.395 1.00 0.00 C ATOM 72 CG ASP A 5 -12.500 -7.140 -3.561 1.00 0.00 C ATOM 73 OD1 ASP A 5 -13.272 -7.691 -4.327 1.00 0.00 O ATOM 74 OD2 ASP A 5 -12.775 -6.142 -2.915 1.00 0.00 O ATOM 0 H ASP A 5 -9.749 -8.604 -1.447 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.274 -9.400 -2.715 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.517 -7.137 -2.702 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.576 -7.731 -4.349 1.00 0.00 H new ATOM 79 N LYS A 6 -9.371 -10.515 -3.696 1.00 0.00 N ATOM 80 CA LYS A 6 -8.720 -11.454 -4.654 1.00 0.00 C ATOM 81 C LYS A 6 -8.757 -12.884 -4.112 1.00 0.00 C ATOM 82 O LYS A 6 -9.135 -13.810 -4.803 1.00 0.00 O ATOM 83 CB LYS A 6 -7.262 -11.046 -4.863 1.00 0.00 C ATOM 84 CG LYS A 6 -6.696 -11.786 -6.080 1.00 0.00 C ATOM 85 CD LYS A 6 -5.282 -12.298 -5.779 1.00 0.00 C ATOM 86 CE LYS A 6 -5.365 -13.600 -4.980 1.00 0.00 C ATOM 87 NZ LYS A 6 -4.188 -13.700 -4.071 1.00 0.00 N ATOM 0 H LYS A 6 -8.785 -10.211 -2.919 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.262 -11.412 -5.599 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.192 -9.969 -5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.676 -11.282 -3.975 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.345 -12.622 -6.341 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.673 -11.119 -6.942 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.739 -12.465 -6.709 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.726 -11.549 -5.216 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.288 -13.626 -4.401 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.389 -14.454 -5.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.750 -14.638 -4.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.494 -12.966 -4.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.497 -13.566 -3.087 1.00 0.00 H new ATOM 101 N CYS A 7 -8.334 -13.080 -2.896 1.00 0.00 N ATOM 102 CA CYS A 7 -8.309 -14.458 -2.328 1.00 0.00 C ATOM 103 C CYS A 7 -9.652 -14.815 -1.684 1.00 0.00 C ATOM 104 O CYS A 7 -9.944 -15.971 -1.456 1.00 0.00 O ATOM 105 CB CYS A 7 -7.205 -14.552 -1.275 1.00 0.00 C ATOM 106 SG CYS A 7 -5.830 -13.472 -1.742 1.00 0.00 S ATOM 0 H CYS A 7 -8.004 -12.346 -2.269 1.00 0.00 H new ATOM 0 HA CYS A 7 -8.118 -15.160 -3.140 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.594 -14.262 -0.299 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.859 -15.582 -1.187 1.00 0.00 H new ATOM 0 HG CYS A 7 -4.730 -13.915 -1.209 1.00 0.00 H new ATOM 111 N GLY A 8 -10.473 -13.849 -1.386 1.00 0.00 N ATOM 112 CA GLY A 8 -11.785 -14.168 -0.754 1.00 0.00 C ATOM 113 C GLY A 8 -11.561 -14.680 0.673 1.00 0.00 C ATOM 114 O GLY A 8 -12.498 -14.965 1.393 1.00 0.00 O ATOM 0 H GLY A 8 -10.296 -12.858 -1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.417 -13.280 -0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.309 -14.921 -1.343 1.00 0.00 H new ATOM 118 N LEU A 9 -10.327 -14.793 1.092 1.00 0.00 N ATOM 119 CA LEU A 9 -10.048 -15.280 2.475 1.00 0.00 C ATOM 120 C LEU A 9 -10.226 -14.114 3.453 1.00 0.00 C ATOM 121 O LEU A 9 -10.168 -12.966 3.062 1.00 0.00 O ATOM 122 CB LEU A 9 -8.608 -15.799 2.552 1.00 0.00 C ATOM 123 CG LEU A 9 -8.604 -17.328 2.470 1.00 0.00 C ATOM 124 CD1 LEU A 9 -9.210 -17.775 1.138 1.00 0.00 C ATOM 125 CD2 LEU A 9 -7.164 -17.836 2.567 1.00 0.00 C ATOM 0 H LEU A 9 -9.501 -14.569 0.536 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.734 -16.087 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.017 -15.380 1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.144 -15.474 3.483 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.195 -17.736 3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.205 -18.864 1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.235 -17.412 1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.622 -17.368 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.157 -18.924 2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.577 -17.425 1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.730 -17.521 3.516 1.00 0.00 H new ATOM 137 N PRO A 10 -10.449 -14.393 4.713 1.00 0.00 N ATOM 138 CA PRO A 10 -10.643 -13.327 5.733 1.00 0.00 C ATOM 139 C PRO A 10 -9.367 -12.535 6.017 1.00 0.00 C ATOM 140 O PRO A 10 -8.473 -12.976 6.713 1.00 0.00 O ATOM 141 CB PRO A 10 -11.112 -14.066 6.974 1.00 0.00 C ATOM 142 CG PRO A 10 -10.639 -15.475 6.809 1.00 0.00 C ATOM 143 CD PRO A 10 -10.541 -15.738 5.303 1.00 0.00 C ATOM 0 HA PRO A 10 -11.358 -12.581 5.387 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.698 -13.617 7.877 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.197 -14.026 7.067 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.671 -15.616 7.289 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.332 -16.173 7.279 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.667 -16.342 5.059 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.414 -16.277 4.934 1.00 0.00 H new ATOM 151 N ILE A 11 -9.301 -11.361 5.473 1.00 0.00 N ATOM 152 CA ILE A 11 -8.121 -10.474 5.665 1.00 0.00 C ATOM 153 C ILE A 11 -7.772 -10.366 7.151 1.00 0.00 C ATOM 154 O ILE A 11 -8.589 -9.993 7.970 1.00 0.00 O ATOM 155 CB ILE A 11 -8.472 -9.086 5.115 1.00 0.00 C ATOM 156 CG1 ILE A 11 -8.743 -9.183 3.615 1.00 0.00 C ATOM 157 CG2 ILE A 11 -7.313 -8.121 5.348 1.00 0.00 C ATOM 158 CD1 ILE A 11 -9.436 -7.903 3.151 1.00 0.00 C ATOM 0 H ILE A 11 -10.035 -10.964 4.886 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.259 -10.886 5.140 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.359 -8.718 5.630 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.808 -9.323 3.072 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.369 -10.049 3.401 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.573 -7.139 4.954 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.114 -8.042 6.417 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.423 -8.492 4.840 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.633 -7.964 2.081 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.377 -7.784 3.687 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.792 -7.047 3.353 1.00 0.00 H new ATOM 170 N LYS A 12 -6.548 -10.664 7.494 1.00 0.00 N ATOM 171 CA LYS A 12 -6.117 -10.551 8.913 1.00 0.00 C ATOM 172 C LYS A 12 -5.546 -9.149 9.120 1.00 0.00 C ATOM 173 O LYS A 12 -5.622 -8.580 10.191 1.00 0.00 O ATOM 174 CB LYS A 12 -5.042 -11.599 9.211 1.00 0.00 C ATOM 175 CG LYS A 12 -5.605 -12.997 8.947 1.00 0.00 C ATOM 176 CD LYS A 12 -4.549 -14.048 9.294 1.00 0.00 C ATOM 177 CE LYS A 12 -4.172 -14.829 8.034 1.00 0.00 C ATOM 178 NZ LYS A 12 -5.352 -15.604 7.558 1.00 0.00 N ATOM 0 H LYS A 12 -5.826 -10.982 6.848 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.961 -10.719 9.582 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.166 -11.424 8.587 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.716 -11.516 10.248 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.503 -13.158 9.544 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.897 -13.091 7.901 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.666 -13.567 9.714 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.933 -14.728 10.054 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.835 -14.144 7.256 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.342 -15.503 8.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.028 -16.442 7.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.922 -15.905 8.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.930 -15.007 6.933 1.00 0.00 H new ATOM 192 N VAL A 13 -4.993 -8.584 8.079 1.00 0.00 N ATOM 193 CA VAL A 13 -4.429 -7.213 8.163 1.00 0.00 C ATOM 194 C VAL A 13 -4.811 -6.477 6.883 1.00 0.00 C ATOM 195 O VAL A 13 -4.860 -7.057 5.820 1.00 0.00 O ATOM 196 CB VAL A 13 -2.913 -7.278 8.263 1.00 0.00 C ATOM 197 CG1 VAL A 13 -2.396 -6.052 9.017 1.00 0.00 C ATOM 198 CG2 VAL A 13 -2.499 -8.550 9.004 1.00 0.00 C ATOM 0 H VAL A 13 -4.909 -9.024 7.163 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.818 -6.700 9.043 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.486 -7.292 7.260 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.309 -6.100 9.088 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.685 -5.147 8.482 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.825 -6.034 10.019 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.412 -8.593 9.074 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.927 -8.543 10.006 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.863 -9.422 8.461 1.00 0.00 H new ATOM 208 N TYR A 14 -5.093 -5.215 6.959 1.00 0.00 N ATOM 209 CA TYR A 14 -5.493 -4.498 5.724 1.00 0.00 C ATOM 210 C TYR A 14 -4.269 -4.138 4.895 1.00 0.00 C ATOM 211 O TYR A 14 -3.558 -3.196 5.186 1.00 0.00 O ATOM 212 CB TYR A 14 -6.241 -3.223 6.079 1.00 0.00 C ATOM 213 CG TYR A 14 -7.717 -3.515 6.229 1.00 0.00 C ATOM 214 CD1 TYR A 14 -8.150 -4.683 6.866 1.00 0.00 C ATOM 215 CD2 TYR A 14 -8.653 -2.607 5.729 1.00 0.00 C ATOM 216 CE1 TYR A 14 -9.520 -4.941 7.002 1.00 0.00 C ATOM 217 CE2 TYR A 14 -10.022 -2.861 5.863 1.00 0.00 C ATOM 218 CZ TYR A 14 -10.456 -4.029 6.501 1.00 0.00 C ATOM 219 OH TYR A 14 -11.806 -4.282 6.634 1.00 0.00 O ATOM 0 H TYR A 14 -5.065 -4.653 7.810 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.140 -5.156 5.144 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.848 -2.807 7.007 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.087 -2.473 5.303 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.427 -5.386 7.253 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.319 -1.706 5.237 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -9.854 -5.843 7.493 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.743 -2.157 5.475 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.317 -3.548 6.233 1.00 0.00 H new ATOM 229 N GLY A 15 -4.045 -4.863 3.842 1.00 0.00 N ATOM 230 CA GLY A 15 -2.899 -4.551 2.956 1.00 0.00 C ATOM 231 C GLY A 15 -3.294 -3.337 2.138 1.00 0.00 C ATOM 232 O GLY A 15 -3.751 -3.453 1.020 1.00 0.00 O ATOM 0 H GLY A 15 -4.610 -5.663 3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.002 -4.347 3.541 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.671 -5.397 2.307 1.00 0.00 H new ATOM 236 N ARG A 16 -3.151 -2.181 2.715 1.00 0.00 N ATOM 237 CA ARG A 16 -3.554 -0.928 2.017 1.00 0.00 C ATOM 238 C ARG A 16 -2.686 -0.707 0.786 1.00 0.00 C ATOM 239 O ARG A 16 -1.479 -0.798 0.842 1.00 0.00 O ATOM 240 CB ARG A 16 -3.401 0.255 2.971 1.00 0.00 C ATOM 241 CG ARG A 16 -3.774 1.546 2.245 1.00 0.00 C ATOM 242 CD ARG A 16 -4.658 2.400 3.152 1.00 0.00 C ATOM 243 NE ARG A 16 -4.976 3.683 2.470 1.00 0.00 N ATOM 244 CZ ARG A 16 -4.050 4.593 2.330 1.00 0.00 C ATOM 245 NH1 ARG A 16 -2.844 4.370 2.777 1.00 0.00 N ATOM 246 NH2 ARG A 16 -4.328 5.726 1.747 1.00 0.00 N ATOM 0 H ARG A 16 -2.768 -2.047 3.651 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.594 -1.015 1.703 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.040 0.118 3.843 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.375 0.313 3.334 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.873 2.097 1.973 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.299 1.316 1.318 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.577 1.865 3.390 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.149 2.594 4.096 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.916 3.852 2.112 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.625 3.485 3.235 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.120 5.080 2.668 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.270 5.903 1.399 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.603 6.435 1.639 1.00 0.00 H new ATOM 260 N MET A 17 -3.307 -0.422 -0.326 1.00 0.00 N ATOM 261 CA MET A 17 -2.547 -0.198 -1.587 1.00 0.00 C ATOM 262 C MET A 17 -2.760 1.228 -2.089 1.00 0.00 C ATOM 263 O MET A 17 -3.880 1.701 -2.181 1.00 0.00 O ATOM 264 CB MET A 17 -3.061 -1.159 -2.642 1.00 0.00 C ATOM 265 CG MET A 17 -3.170 -2.549 -2.032 1.00 0.00 C ATOM 266 SD MET A 17 -3.065 -3.788 -3.340 1.00 0.00 S ATOM 267 CE MET A 17 -1.261 -3.888 -3.422 1.00 0.00 C ATOM 0 H MET A 17 -4.319 -0.334 -0.415 1.00 0.00 H new ATOM 0 HA MET A 17 -1.486 -0.359 -1.396 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.034 -0.831 -3.009 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.386 -1.175 -3.498 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.372 -2.703 -1.305 1.00 0.00 H new ATOM 0 HG3 MET A 17 -4.113 -2.650 -1.496 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.967 -4.441 -4.314 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.842 -2.882 -3.465 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.884 -4.400 -2.537 1.00 0.00 H new ATOM 277 N ILE A 18 -1.691 1.898 -2.437 1.00 0.00 N ATOM 278 CA ILE A 18 -1.793 3.289 -2.961 1.00 0.00 C ATOM 279 C ILE A 18 -1.253 3.313 -4.397 1.00 0.00 C ATOM 280 O ILE A 18 -0.466 2.471 -4.765 1.00 0.00 O ATOM 281 CB ILE A 18 -0.947 4.224 -2.094 1.00 0.00 C ATOM 282 CG1 ILE A 18 0.150 3.430 -1.402 1.00 0.00 C ATOM 283 CG2 ILE A 18 -1.827 4.889 -1.035 1.00 0.00 C ATOM 284 CD1 ILE A 18 1.090 4.389 -0.667 1.00 0.00 C ATOM 0 H ILE A 18 -0.740 1.533 -2.379 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.832 3.617 -2.942 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.501 4.989 -2.730 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.288 2.722 -0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.708 2.847 -2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.219 5.553 -0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.613 5.465 -1.524 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.278 4.123 -0.404 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.876 3.819 -0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.538 5.079 -1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.526 4.953 0.077 1.00 0.00 H new ATOM 296 N PRO A 19 -1.653 4.269 -5.204 1.00 0.00 N ATOM 297 CA PRO A 19 -2.618 5.338 -4.821 1.00 0.00 C ATOM 298 C PRO A 19 -4.063 4.846 -4.927 1.00 0.00 C ATOM 299 O PRO A 19 -5.003 5.584 -4.705 1.00 0.00 O ATOM 300 CB PRO A 19 -2.353 6.438 -5.846 1.00 0.00 C ATOM 301 CG PRO A 19 -1.870 5.727 -7.068 1.00 0.00 C ATOM 302 CD PRO A 19 -1.210 4.425 -6.600 1.00 0.00 C ATOM 0 HA PRO A 19 -2.491 5.667 -3.790 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.258 7.008 -6.054 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.608 7.145 -5.481 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.699 5.517 -7.745 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.159 6.344 -7.617 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.522 3.579 -7.213 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.124 4.484 -6.668 1.00 0.00 H new ATOM 310 N CYS A 20 -4.238 3.600 -5.270 1.00 0.00 N ATOM 311 CA CYS A 20 -5.609 3.039 -5.400 1.00 0.00 C ATOM 312 C CYS A 20 -6.361 3.237 -4.088 1.00 0.00 C ATOM 313 O CYS A 20 -7.551 3.488 -4.072 1.00 0.00 O ATOM 314 CB CYS A 20 -5.510 1.542 -5.707 1.00 0.00 C ATOM 315 SG CYS A 20 -6.527 1.145 -7.151 1.00 0.00 S ATOM 0 H CYS A 20 -3.483 2.943 -5.467 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.141 3.546 -6.205 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -4.472 1.268 -5.895 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.842 0.962 -4.846 1.00 0.00 H new ATOM 0 HG CYS A 20 -7.312 0.148 -6.868 1.00 0.00 H new ATOM 320 N LYS A 21 -5.678 3.110 -2.986 1.00 0.00 N ATOM 321 CA LYS A 21 -6.346 3.273 -1.671 1.00 0.00 C ATOM 322 C LYS A 21 -7.203 2.037 -1.424 1.00 0.00 C ATOM 323 O LYS A 21 -8.184 2.075 -0.708 1.00 0.00 O ATOM 324 CB LYS A 21 -7.229 4.526 -1.689 1.00 0.00 C ATOM 325 CG LYS A 21 -7.170 5.228 -0.329 1.00 0.00 C ATOM 326 CD LYS A 21 -7.971 6.529 -0.394 1.00 0.00 C ATOM 327 CE LYS A 21 -7.054 7.673 -0.831 1.00 0.00 C ATOM 328 NZ LYS A 21 -7.863 8.732 -1.497 1.00 0.00 N ATOM 0 H LYS A 21 -4.681 2.899 -2.942 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.605 3.384 -0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.895 5.205 -2.473 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.258 4.252 -1.922 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.574 4.577 0.446 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.135 5.438 -0.061 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.798 6.424 -1.096 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.406 6.750 0.581 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.534 8.087 0.033 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.290 7.301 -1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.382 9.649 -1.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.972 8.503 -2.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.801 8.785 -1.051 1.00 0.00 H new ATOM 342 N HIS A 22 -6.832 0.939 -2.026 1.00 0.00 N ATOM 343 CA HIS A 22 -7.619 -0.312 -1.845 1.00 0.00 C ATOM 344 C HIS A 22 -6.992 -1.142 -0.729 1.00 0.00 C ATOM 345 O HIS A 22 -6.019 -0.735 -0.129 1.00 0.00 O ATOM 346 CB HIS A 22 -7.619 -1.112 -3.149 1.00 0.00 C ATOM 347 CG HIS A 22 -8.624 -0.512 -4.093 1.00 0.00 C ATOM 348 ND1 HIS A 22 -8.245 0.175 -5.237 1.00 0.00 N ATOM 349 CD2 HIS A 22 -9.996 -0.473 -4.068 1.00 0.00 C ATOM 350 CE1 HIS A 22 -9.368 0.596 -5.847 1.00 0.00 C ATOM 351 NE2 HIS A 22 -10.459 0.227 -5.175 1.00 0.00 N ATOM 0 H HIS A 22 -6.018 0.856 -2.635 1.00 0.00 H new ATOM 0 HA HIS A 22 -8.647 -0.064 -1.580 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -6.626 -1.099 -3.598 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.865 -2.155 -2.950 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -7.289 0.332 -5.557 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.619 -0.918 -3.306 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.384 1.162 -6.766 1.00 0.00 H new ATOM 359 N VAL A 23 -7.538 -2.295 -0.435 1.00 0.00 N ATOM 360 CA VAL A 23 -6.953 -3.122 0.658 1.00 0.00 C ATOM 361 C VAL A 23 -7.094 -4.616 0.354 1.00 0.00 C ATOM 362 O VAL A 23 -8.012 -5.049 -0.313 1.00 0.00 O ATOM 363 CB VAL A 23 -7.660 -2.813 1.980 1.00 0.00 C ATOM 364 CG1 VAL A 23 -8.005 -1.325 2.049 1.00 0.00 C ATOM 365 CG2 VAL A 23 -8.941 -3.643 2.079 1.00 0.00 C ATOM 0 H VAL A 23 -8.354 -2.694 -0.899 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.894 -2.877 0.734 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.999 -3.065 2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.508 -1.111 2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.090 -0.736 1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.663 -1.065 1.220 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.445 -3.423 3.020 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.601 -3.395 1.248 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.691 -4.703 2.040 1.00 0.00 H new ATOM 375 N PHE A 24 -6.187 -5.400 0.869 1.00 0.00 N ATOM 376 CA PHE A 24 -6.240 -6.881 0.657 1.00 0.00 C ATOM 377 C PHE A 24 -5.424 -7.541 1.762 1.00 0.00 C ATOM 378 O PHE A 24 -4.699 -6.876 2.470 1.00 0.00 O ATOM 379 CB PHE A 24 -5.631 -7.248 -0.698 1.00 0.00 C ATOM 380 CG PHE A 24 -6.226 -6.377 -1.772 1.00 0.00 C ATOM 381 CD1 PHE A 24 -5.635 -5.150 -2.070 1.00 0.00 C ATOM 382 CD2 PHE A 24 -7.364 -6.795 -2.468 1.00 0.00 C ATOM 383 CE1 PHE A 24 -6.177 -4.333 -3.067 1.00 0.00 C ATOM 384 CE2 PHE A 24 -7.909 -5.981 -3.467 1.00 0.00 C ATOM 385 CZ PHE A 24 -7.317 -4.748 -3.768 1.00 0.00 C ATOM 0 H PHE A 24 -5.402 -5.077 1.434 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.276 -7.219 0.677 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.549 -7.119 -0.669 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.821 -8.298 -0.921 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.757 -4.830 -1.530 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.822 -7.745 -2.235 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.717 -3.383 -3.296 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.787 -6.304 -4.007 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.738 -4.119 -4.538 1.00 0.00 H new ATOM 395 N CYS A 25 -5.508 -8.834 1.928 1.00 0.00 N ATOM 396 CA CYS A 25 -4.690 -9.450 3.013 1.00 0.00 C ATOM 397 C CYS A 25 -3.243 -9.011 2.817 1.00 0.00 C ATOM 398 O CYS A 25 -2.612 -9.336 1.830 1.00 0.00 O ATOM 399 CB CYS A 25 -4.768 -10.978 2.976 1.00 0.00 C ATOM 400 SG CYS A 25 -6.413 -11.504 2.461 1.00 0.00 S ATOM 0 H CYS A 25 -6.086 -9.472 1.381 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.074 -9.123 3.979 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.020 -11.371 2.287 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.540 -11.385 3.961 1.00 0.00 H new ATOM 0 HG CYS A 25 -6.660 -11.051 1.268 1.00 0.00 H new ATOM 405 N TYR A 26 -2.713 -8.267 3.743 1.00 0.00 N ATOM 406 CA TYR A 26 -1.309 -7.798 3.601 1.00 0.00 C ATOM 407 C TYR A 26 -0.408 -8.989 3.288 1.00 0.00 C ATOM 408 O TYR A 26 0.730 -8.829 2.906 1.00 0.00 O ATOM 409 CB TYR A 26 -0.872 -7.112 4.902 1.00 0.00 C ATOM 410 CG TYR A 26 0.512 -6.505 4.758 1.00 0.00 C ATOM 411 CD1 TYR A 26 0.781 -5.549 3.761 1.00 0.00 C ATOM 412 CD2 TYR A 26 1.529 -6.889 5.640 1.00 0.00 C ATOM 413 CE1 TYR A 26 2.058 -4.991 3.653 1.00 0.00 C ATOM 414 CE2 TYR A 26 2.807 -6.329 5.528 1.00 0.00 C ATOM 415 CZ TYR A 26 3.072 -5.381 4.535 1.00 0.00 C ATOM 416 OH TYR A 26 4.332 -4.828 4.426 1.00 0.00 O ATOM 0 H TYR A 26 -3.190 -7.963 4.592 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.233 -7.080 2.784 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.589 -6.334 5.166 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.873 -7.836 5.717 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.000 -5.246 3.079 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.327 -7.620 6.409 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.263 -4.257 2.887 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.589 -6.630 6.209 1.00 0.00 H new ATOM 0 HH TYR A 26 4.916 -5.207 5.115 1.00 0.00 H new ATOM 426 N ASP A 27 -0.911 -10.185 3.428 1.00 0.00 N ATOM 427 CA ASP A 27 -0.076 -11.376 3.116 1.00 0.00 C ATOM 428 C ASP A 27 0.007 -11.543 1.601 1.00 0.00 C ATOM 429 O ASP A 27 1.069 -11.740 1.042 1.00 0.00 O ATOM 430 CB ASP A 27 -0.701 -12.626 3.740 1.00 0.00 C ATOM 431 CG ASP A 27 0.269 -13.228 4.759 1.00 0.00 C ATOM 432 OD1 ASP A 27 1.177 -13.926 4.341 1.00 0.00 O ATOM 433 OD2 ASP A 27 0.085 -12.981 5.940 1.00 0.00 O ATOM 0 H ASP A 27 -1.860 -10.387 3.744 1.00 0.00 H new ATOM 0 HA ASP A 27 0.925 -11.239 3.526 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.643 -12.371 4.226 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.930 -13.357 2.964 1.00 0.00 H new ATOM 438 N CYS A 28 -1.098 -11.459 0.926 1.00 0.00 N ATOM 439 CA CYS A 28 -1.057 -11.601 -0.551 1.00 0.00 C ATOM 440 C CYS A 28 -0.581 -10.283 -1.148 1.00 0.00 C ATOM 441 O CYS A 28 -0.059 -10.234 -2.245 1.00 0.00 O ATOM 442 CB CYS A 28 -2.450 -11.942 -1.089 1.00 0.00 C ATOM 443 SG CYS A 28 -3.379 -12.865 0.162 1.00 0.00 S ATOM 0 H CYS A 28 -2.022 -11.299 1.328 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.376 -12.406 -0.826 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -2.983 -11.028 -1.351 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.364 -12.533 -2.001 1.00 0.00 H new ATOM 0 HG CYS A 28 -4.653 -12.744 -0.067 1.00 0.00 H new ATOM 448 N ALA A 29 -0.745 -9.213 -0.424 1.00 0.00 N ATOM 449 CA ALA A 29 -0.293 -7.902 -0.928 1.00 0.00 C ATOM 450 C ALA A 29 1.233 -7.897 -0.972 1.00 0.00 C ATOM 451 O ALA A 29 1.838 -7.346 -1.873 1.00 0.00 O ATOM 452 CB ALA A 29 -0.809 -6.808 0.014 1.00 0.00 C ATOM 0 H ALA A 29 -1.176 -9.197 0.500 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.679 -7.716 -1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.482 -5.833 -0.347 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.898 -6.837 0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.414 -6.975 1.016 1.00 0.00 H new ATOM 458 N ILE A 30 1.869 -8.513 -0.012 1.00 0.00 N ATOM 459 CA ILE A 30 3.350 -8.537 -0.020 1.00 0.00 C ATOM 460 C ILE A 30 3.823 -9.613 -0.989 1.00 0.00 C ATOM 461 O ILE A 30 4.837 -9.468 -1.645 1.00 0.00 O ATOM 462 CB ILE A 30 3.882 -8.798 1.395 1.00 0.00 C ATOM 463 CG1 ILE A 30 3.492 -10.194 1.898 1.00 0.00 C ATOM 464 CG2 ILE A 30 3.294 -7.758 2.342 1.00 0.00 C ATOM 465 CD1 ILE A 30 4.245 -10.494 3.197 1.00 0.00 C ATOM 0 H ILE A 30 1.426 -8.996 0.770 1.00 0.00 H new ATOM 0 HA ILE A 30 3.735 -7.571 -0.347 1.00 0.00 H new ATOM 0 HB ILE A 30 4.970 -8.735 1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.417 -10.244 2.068 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.731 -10.944 1.144 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.665 -7.934 3.352 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.589 -6.761 2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.207 -7.835 2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.970 -11.485 3.557 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.319 -10.461 3.011 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.984 -9.750 3.949 1.00 0.00 H new ATOM 477 N LEU A 31 3.091 -10.689 -1.103 1.00 0.00 N ATOM 478 CA LEU A 31 3.519 -11.750 -2.058 1.00 0.00 C ATOM 479 C LEU A 31 3.395 -11.193 -3.473 1.00 0.00 C ATOM 480 O LEU A 31 4.062 -11.634 -4.388 1.00 0.00 O ATOM 481 CB LEU A 31 2.637 -12.995 -1.918 1.00 0.00 C ATOM 482 CG LEU A 31 2.929 -13.703 -0.590 1.00 0.00 C ATOM 483 CD1 LEU A 31 1.728 -14.566 -0.197 1.00 0.00 C ATOM 484 CD2 LEU A 31 4.164 -14.603 -0.731 1.00 0.00 C ATOM 0 H LEU A 31 2.232 -10.877 -0.587 1.00 0.00 H new ATOM 0 HA LEU A 31 4.548 -12.038 -1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.585 -12.712 -1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.821 -13.675 -2.750 1.00 0.00 H new ATOM 0 HG LEU A 31 3.115 -12.951 0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.935 -15.070 0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.847 -13.934 -0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.545 -15.310 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.362 -15.101 0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.983 -15.352 -1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.026 -13.997 -1.009 1.00 0.00 H new ATOM 496 N HIS A 32 2.553 -10.209 -3.659 1.00 0.00 N ATOM 497 CA HIS A 32 2.403 -9.611 -5.010 1.00 0.00 C ATOM 498 C HIS A 32 3.517 -8.588 -5.210 1.00 0.00 C ATOM 499 O HIS A 32 4.039 -8.419 -6.295 1.00 0.00 O ATOM 500 CB HIS A 32 1.040 -8.923 -5.122 1.00 0.00 C ATOM 501 CG HIS A 32 0.087 -9.821 -5.864 1.00 0.00 C ATOM 502 ND1 HIS A 32 -0.252 -9.604 -7.193 1.00 0.00 N ATOM 503 CD2 HIS A 32 -0.607 -10.942 -5.479 1.00 0.00 C ATOM 504 CE1 HIS A 32 -1.113 -10.572 -7.555 1.00 0.00 C ATOM 505 NE2 HIS A 32 -1.360 -11.411 -6.548 1.00 0.00 N ATOM 0 H HIS A 32 1.966 -9.798 -2.933 1.00 0.00 H new ATOM 0 HA HIS A 32 2.467 -10.387 -5.773 1.00 0.00 H new ATOM 0 HB2 HIS A 32 0.649 -8.701 -4.129 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.142 -7.972 -5.644 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -0.573 -11.390 -4.497 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -1.550 -10.659 -8.539 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -1.973 -12.226 -6.560 1.00 0.00 H new ATOM 514 N GLU A 33 3.892 -7.911 -4.160 1.00 0.00 N ATOM 515 CA GLU A 33 4.980 -6.904 -4.266 1.00 0.00 C ATOM 516 C GLU A 33 6.331 -7.626 -4.272 1.00 0.00 C ATOM 517 O GLU A 33 7.303 -7.137 -4.813 1.00 0.00 O ATOM 518 CB GLU A 33 4.877 -5.942 -3.068 1.00 0.00 C ATOM 519 CG GLU A 33 6.233 -5.770 -2.371 1.00 0.00 C ATOM 520 CD GLU A 33 6.113 -4.684 -1.301 1.00 0.00 C ATOM 521 OE1 GLU A 33 5.485 -4.946 -0.288 1.00 0.00 O ATOM 522 OE2 GLU A 33 6.651 -3.609 -1.511 1.00 0.00 O ATOM 0 H GLU A 33 3.488 -8.014 -3.229 1.00 0.00 H new ATOM 0 HA GLU A 33 4.889 -6.332 -5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.515 -4.972 -3.408 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.145 -6.323 -2.355 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.545 -6.711 -1.918 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.998 -5.498 -3.099 1.00 0.00 H new ATOM 529 N LYS A 34 6.401 -8.784 -3.673 1.00 0.00 N ATOM 530 CA LYS A 34 7.687 -9.528 -3.643 1.00 0.00 C ATOM 531 C LYS A 34 7.846 -10.310 -4.943 1.00 0.00 C ATOM 532 O LYS A 34 8.934 -10.462 -5.461 1.00 0.00 O ATOM 533 CB LYS A 34 7.689 -10.496 -2.458 1.00 0.00 C ATOM 534 CG LYS A 34 7.896 -9.714 -1.160 1.00 0.00 C ATOM 535 CD LYS A 34 7.712 -10.649 0.037 1.00 0.00 C ATOM 536 CE LYS A 34 8.505 -10.113 1.230 1.00 0.00 C ATOM 537 NZ LYS A 34 8.314 -8.638 1.331 1.00 0.00 N ATOM 0 H LYS A 34 5.621 -9.245 -3.204 1.00 0.00 H new ATOM 0 HA LYS A 34 8.514 -8.826 -3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.746 -11.042 -2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.481 -11.235 -2.580 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.894 -9.276 -1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.185 -8.889 -1.103 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.655 -10.725 0.294 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.051 -11.653 -0.217 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.173 -10.597 2.148 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.563 -10.346 1.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.470 -8.334 2.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.993 -8.157 0.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.345 -8.393 1.042 1.00 0.00 H new ATOM 614 N MET A 39 0.986 -4.634 -9.010 1.00 0.00 N ATOM 615 CA MET A 39 -0.378 -4.439 -9.569 1.00 0.00 C ATOM 616 C MET A 39 -1.418 -4.672 -8.469 1.00 0.00 C ATOM 617 O MET A 39 -1.298 -5.580 -7.675 1.00 0.00 O ATOM 618 CB MET A 39 -0.612 -5.432 -10.709 1.00 0.00 C ATOM 619 CG MET A 39 -0.934 -6.806 -10.123 1.00 0.00 C ATOM 620 SD MET A 39 -0.639 -8.080 -11.375 1.00 0.00 S ATOM 621 CE MET A 39 -2.342 -8.680 -11.491 1.00 0.00 C ATOM 0 HA MET A 39 -0.471 -3.422 -9.950 1.00 0.00 H new ATOM 0 HB2 MET A 39 -1.433 -5.092 -11.340 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.273 -5.492 -11.342 1.00 0.00 H new ATOM 0 HG2 MET A 39 -0.315 -6.993 -9.245 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.972 -6.838 -9.793 1.00 0.00 H new ATOM 0 HE1 MET A 39 -2.395 -9.487 -12.222 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.664 -9.051 -10.518 1.00 0.00 H new ATOM 0 HE3 MET A 39 -2.995 -7.865 -11.803 1.00 0.00 H new ATOM 631 N CYS A 40 -2.439 -3.860 -8.422 1.00 0.00 N ATOM 632 CA CYS A 40 -3.495 -4.031 -7.378 1.00 0.00 C ATOM 633 C CYS A 40 -4.328 -5.290 -7.696 1.00 0.00 C ATOM 634 O CYS A 40 -5.013 -5.327 -8.695 1.00 0.00 O ATOM 635 CB CYS A 40 -4.413 -2.804 -7.403 1.00 0.00 C ATOM 636 SG CYS A 40 -5.708 -2.979 -6.150 1.00 0.00 S ATOM 0 H CYS A 40 -2.590 -3.082 -9.064 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.034 -4.136 -6.396 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.833 -1.901 -7.215 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.862 -2.695 -8.390 1.00 0.00 H new ATOM 0 HG CYS A 40 -5.223 -3.583 -5.106 1.00 0.00 H new ATOM 641 N PRO A 41 -4.292 -6.321 -6.876 1.00 0.00 N ATOM 642 CA PRO A 41 -5.087 -7.556 -7.143 1.00 0.00 C ATOM 643 C PRO A 41 -6.546 -7.235 -7.464 1.00 0.00 C ATOM 644 O PRO A 41 -7.277 -8.063 -7.970 1.00 0.00 O ATOM 645 CB PRO A 41 -5.001 -8.339 -5.836 1.00 0.00 C ATOM 646 CG PRO A 41 -3.739 -7.889 -5.190 1.00 0.00 C ATOM 647 CD PRO A 41 -3.521 -6.442 -5.624 1.00 0.00 C ATOM 0 HA PRO A 41 -4.705 -8.103 -8.005 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.862 -8.137 -5.199 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.987 -9.413 -6.021 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.812 -7.962 -4.105 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.902 -8.516 -5.496 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.876 -5.741 -4.868 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.464 -6.229 -5.785 1.00 0.00 H new ATOM 655 N GLY A 42 -6.972 -6.038 -7.165 1.00 0.00 N ATOM 656 CA GLY A 42 -8.385 -5.653 -7.442 1.00 0.00 C ATOM 657 C GLY A 42 -8.460 -4.859 -8.745 1.00 0.00 C ATOM 658 O GLY A 42 -9.072 -5.282 -9.706 1.00 0.00 O ATOM 0 H GLY A 42 -6.400 -5.308 -6.740 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.007 -6.545 -7.513 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.777 -5.056 -6.619 1.00 0.00 H new ATOM 662 N CYS A 43 -7.850 -3.708 -8.785 1.00 0.00 N ATOM 663 CA CYS A 43 -7.901 -2.885 -10.026 1.00 0.00 C ATOM 664 C CYS A 43 -6.724 -3.233 -10.940 1.00 0.00 C ATOM 665 O CYS A 43 -6.765 -3.003 -12.132 1.00 0.00 O ATOM 666 CB CYS A 43 -7.839 -1.403 -9.658 1.00 0.00 C ATOM 667 SG CYS A 43 -8.849 -1.110 -8.188 1.00 0.00 S ATOM 0 H CYS A 43 -7.319 -3.302 -8.014 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.832 -3.095 -10.552 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -6.807 -1.106 -9.470 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.199 -0.795 -10.488 1.00 0.00 H new ATOM 0 HG CYS A 43 -9.648 -0.107 -8.403 1.00 0.00 H new ATOM 672 N SER A 44 -5.677 -3.783 -10.393 1.00 0.00 N ATOM 673 CA SER A 44 -4.497 -4.146 -11.229 1.00 0.00 C ATOM 674 C SER A 44 -3.730 -2.880 -11.612 1.00 0.00 C ATOM 675 O SER A 44 -3.198 -2.774 -12.699 1.00 0.00 O ATOM 676 CB SER A 44 -4.968 -4.862 -12.496 1.00 0.00 C ATOM 677 OG SER A 44 -5.088 -3.917 -13.552 1.00 0.00 O ATOM 0 H SER A 44 -5.586 -3.998 -9.400 1.00 0.00 H new ATOM 0 HA SER A 44 -3.842 -4.807 -10.661 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.260 -5.644 -12.771 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.927 -5.349 -12.317 1.00 0.00 H new ATOM 0 HG SER A 44 -5.783 -3.263 -13.328 1.00 0.00 H new ATOM 683 N ASP A 45 -3.666 -1.922 -10.722 1.00 0.00 N ATOM 684 CA ASP A 45 -2.931 -0.663 -11.020 1.00 0.00 C ATOM 685 C ASP A 45 -1.582 -0.691 -10.297 1.00 0.00 C ATOM 686 O ASP A 45 -1.415 -1.392 -9.320 1.00 0.00 O ATOM 687 CB ASP A 45 -3.749 0.533 -10.529 1.00 0.00 C ATOM 688 CG ASP A 45 -4.438 1.204 -11.720 1.00 0.00 C ATOM 689 OD1 ASP A 45 -4.930 0.486 -12.575 1.00 0.00 O ATOM 690 OD2 ASP A 45 -4.462 2.423 -11.756 1.00 0.00 O ATOM 0 H ASP A 45 -4.095 -1.962 -9.797 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.772 -0.574 -12.095 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.493 0.205 -9.803 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.100 1.247 -10.021 1.00 0.00 H new ATOM 695 N PRO A 46 -0.625 0.064 -10.767 1.00 0.00 N ATOM 696 CA PRO A 46 0.731 0.115 -10.148 1.00 0.00 C ATOM 697 C PRO A 46 0.674 0.526 -8.673 1.00 0.00 C ATOM 698 O PRO A 46 0.816 1.686 -8.335 1.00 0.00 O ATOM 699 CB PRO A 46 1.491 1.162 -10.976 1.00 0.00 C ATOM 700 CG PRO A 46 0.452 1.909 -11.748 1.00 0.00 C ATOM 701 CD PRO A 46 -0.724 0.955 -11.930 1.00 0.00 C ATOM 0 HA PRO A 46 1.213 -0.863 -10.157 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.056 1.834 -10.331 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.207 0.685 -11.645 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.143 2.807 -11.214 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.843 2.231 -12.713 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.675 1.488 -11.947 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.651 0.402 -12.867 1.00 0.00 H new ATOM 709 N VAL A 47 0.465 -0.413 -7.791 1.00 0.00 N ATOM 710 CA VAL A 47 0.400 -0.063 -6.344 1.00 0.00 C ATOM 711 C VAL A 47 1.690 0.679 -5.968 1.00 0.00 C ATOM 712 O VAL A 47 2.747 0.097 -5.840 1.00 0.00 O ATOM 713 CB VAL A 47 0.217 -1.331 -5.504 1.00 0.00 C ATOM 714 CG1 VAL A 47 -0.931 -2.158 -6.095 1.00 0.00 C ATOM 715 CG2 VAL A 47 1.499 -2.164 -5.504 1.00 0.00 C ATOM 0 H VAL A 47 0.337 -1.401 -8.008 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.454 0.584 -6.145 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.013 -1.049 -4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.069 -3.063 -5.504 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.849 -1.570 -6.079 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.692 -2.429 -7.123 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.350 -3.061 -4.902 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.747 -2.450 -6.526 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.315 -1.576 -5.083 1.00 0.00 H new ATOM 725 N GLN A 48 1.610 1.974 -5.809 1.00 0.00 N ATOM 726 CA GLN A 48 2.820 2.763 -5.461 1.00 0.00 C ATOM 727 C GLN A 48 3.526 2.072 -4.314 1.00 0.00 C ATOM 728 O GLN A 48 4.691 1.738 -4.393 1.00 0.00 O ATOM 729 CB GLN A 48 2.414 4.177 -5.039 1.00 0.00 C ATOM 730 CG GLN A 48 3.618 4.890 -4.417 1.00 0.00 C ATOM 731 CD GLN A 48 3.600 6.367 -4.818 1.00 0.00 C ATOM 732 OE1 GLN A 48 3.298 7.223 -4.011 1.00 0.00 O ATOM 733 NE2 GLN A 48 3.914 6.702 -6.039 1.00 0.00 N ATOM 0 H GLN A 48 0.753 2.518 -5.906 1.00 0.00 H new ATOM 0 HA GLN A 48 3.482 2.832 -6.324 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.053 4.736 -5.902 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.594 4.133 -4.322 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.588 4.797 -3.331 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.544 4.423 -4.752 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.168 5.982 -6.716 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.906 7.683 -6.317 1.00 0.00 H new ATOM 742 N ARG A 49 2.825 1.838 -3.248 1.00 0.00 N ATOM 743 CA ARG A 49 3.462 1.148 -2.105 1.00 0.00 C ATOM 744 C ARG A 49 2.389 0.524 -1.214 1.00 0.00 C ATOM 745 O ARG A 49 1.390 1.129 -0.905 1.00 0.00 O ATOM 746 CB ARG A 49 4.332 2.148 -1.322 1.00 0.00 C ATOM 747 CG ARG A 49 3.908 2.229 0.152 1.00 0.00 C ATOM 748 CD ARG A 49 4.816 3.221 0.881 1.00 0.00 C ATOM 749 NE ARG A 49 6.157 2.606 1.091 1.00 0.00 N ATOM 750 CZ ARG A 49 7.033 3.197 1.857 1.00 0.00 C ATOM 751 NH1 ARG A 49 6.734 4.326 2.438 1.00 0.00 N ATOM 752 NH2 ARG A 49 8.207 2.659 2.042 1.00 0.00 N ATOM 0 H ARG A 49 1.846 2.093 -3.119 1.00 0.00 H new ATOM 0 HA ARG A 49 4.105 0.346 -2.467 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.378 1.849 -1.385 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.255 3.135 -1.779 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.868 2.546 0.227 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.976 1.246 0.617 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.912 4.138 0.299 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.376 3.496 1.840 1.00 0.00 H new ATOM 0 HE ARG A 49 6.390 1.723 0.636 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.816 4.746 2.294 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.418 4.788 3.037 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.441 1.776 1.588 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.891 3.121 2.641 1.00 0.00 H new ATOM 766 N ILE A 50 2.590 -0.685 -0.796 1.00 0.00 N ATOM 767 CA ILE A 50 1.578 -1.334 0.067 1.00 0.00 C ATOM 768 C ILE A 50 1.858 -1.000 1.518 1.00 0.00 C ATOM 769 O ILE A 50 2.993 -0.870 1.933 1.00 0.00 O ATOM 770 CB ILE A 50 1.626 -2.850 -0.086 1.00 0.00 C ATOM 771 CG1 ILE A 50 1.967 -3.209 -1.533 1.00 0.00 C ATOM 772 CG2 ILE A 50 0.268 -3.442 0.301 1.00 0.00 C ATOM 773 CD1 ILE A 50 2.002 -4.731 -1.693 1.00 0.00 C ATOM 0 H ILE A 50 3.409 -1.252 -1.014 1.00 0.00 H new ATOM 0 HA ILE A 50 0.596 -0.968 -0.232 1.00 0.00 H new ATOM 0 HB ILE A 50 2.394 -3.262 0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.227 -2.780 -2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.932 -2.783 -1.806 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.299 -4.526 0.192 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.042 -3.187 1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.505 -3.035 -0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.245 -4.983 -2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.759 -5.149 -1.029 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.027 -5.146 -1.438 1.00 0.00 H new ATOM 785 N GLU A 51 0.826 -0.871 2.286 1.00 0.00 N ATOM 786 CA GLU A 51 1.002 -0.555 3.727 1.00 0.00 C ATOM 787 C GLU A 51 0.024 -1.379 4.558 1.00 0.00 C ATOM 788 O GLU A 51 -1.026 -1.778 4.093 1.00 0.00 O ATOM 789 CB GLU A 51 0.769 0.936 3.950 1.00 0.00 C ATOM 790 CG GLU A 51 1.588 1.704 2.919 1.00 0.00 C ATOM 791 CD GLU A 51 1.491 3.206 3.195 1.00 0.00 C ATOM 792 OE1 GLU A 51 0.439 3.768 2.940 1.00 0.00 O ATOM 793 OE2 GLU A 51 2.471 3.768 3.656 1.00 0.00 O ATOM 0 H GLU A 51 -0.142 -0.971 1.980 1.00 0.00 H new ATOM 0 HA GLU A 51 2.017 -0.805 4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.290 1.175 3.849 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.065 1.220 4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.629 1.384 2.957 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.224 1.485 1.915 1.00 0.00 H new ATOM 800 N GLN A 52 0.376 -1.646 5.782 1.00 0.00 N ATOM 801 CA GLN A 52 -0.509 -2.460 6.660 1.00 0.00 C ATOM 802 C GLN A 52 -1.364 -1.540 7.533 1.00 0.00 C ATOM 803 O GLN A 52 -0.899 -0.537 8.037 1.00 0.00 O ATOM 804 CB GLN A 52 0.346 -3.368 7.549 1.00 0.00 C ATOM 805 CG GLN A 52 0.841 -2.588 8.770 1.00 0.00 C ATOM 806 CD GLN A 52 2.028 -3.320 9.398 1.00 0.00 C ATOM 807 OE1 GLN A 52 3.163 -2.918 9.233 1.00 0.00 O ATOM 808 NE2 GLN A 52 1.814 -4.388 10.117 1.00 0.00 N ATOM 0 H GLN A 52 1.245 -1.334 6.216 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.164 -3.073 6.041 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.238 -4.231 7.870 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.195 -3.751 6.983 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.136 -1.581 8.476 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.037 -2.485 9.499 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.862 -4.727 10.256 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.599 -4.884 10.540 1.00 0.00 H new ATOM 817 N CYS A 53 -2.614 -1.874 7.708 1.00 0.00 N ATOM 818 CA CYS A 53 -3.506 -1.022 8.542 1.00 0.00 C ATOM 819 C CYS A 53 -4.475 -1.899 9.338 1.00 0.00 C ATOM 820 O CYS A 53 -4.696 -3.049 9.016 1.00 0.00 O ATOM 821 CB CYS A 53 -4.305 -0.085 7.635 1.00 0.00 C ATOM 822 SG CYS A 53 -3.728 1.616 7.862 1.00 0.00 S ATOM 0 H CYS A 53 -3.056 -2.702 7.308 1.00 0.00 H new ATOM 0 HA CYS A 53 -2.898 -0.440 9.234 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.188 -0.384 6.593 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -5.367 -0.154 7.869 1.00 0.00 H new ATOM 0 HG CYS A 53 -4.406 2.411 7.089 1.00 0.00 H new ATOM 827 N THR A 54 -5.054 -1.363 10.380 1.00 0.00 N ATOM 828 CA THR A 54 -6.008 -2.164 11.196 1.00 0.00 C ATOM 829 C THR A 54 -7.373 -2.184 10.503 1.00 0.00 C ATOM 830 O THR A 54 -7.683 -1.331 9.693 1.00 0.00 O ATOM 831 CB THR A 54 -6.152 -1.536 12.584 1.00 0.00 C ATOM 832 OG1 THR A 54 -5.425 -0.316 12.629 1.00 0.00 O ATOM 833 CG2 THR A 54 -5.606 -2.498 13.641 1.00 0.00 C ATOM 0 H THR A 54 -4.907 -0.406 10.700 1.00 0.00 H new ATOM 0 HA THR A 54 -5.632 -3.182 11.298 1.00 0.00 H new ATOM 0 HB THR A 54 -7.205 -1.339 12.786 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.518 0.088 13.517 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.709 -2.050 14.629 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.166 -3.433 13.606 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.553 -2.698 13.442 1.00 0.00 H new ATOM 841 N ARG A 55 -8.186 -3.156 10.806 1.00 0.00 N ATOM 842 CA ARG A 55 -9.525 -3.241 10.157 1.00 0.00 C ATOM 843 C ARG A 55 -10.280 -1.923 10.328 1.00 0.00 C ATOM 844 O ARG A 55 -10.450 -1.170 9.390 1.00 0.00 O ATOM 845 CB ARG A 55 -10.331 -4.376 10.793 1.00 0.00 C ATOM 846 CG ARG A 55 -9.519 -5.672 10.741 1.00 0.00 C ATOM 847 CD ARG A 55 -10.408 -6.848 11.149 1.00 0.00 C ATOM 848 NE ARG A 55 -11.532 -6.983 10.181 1.00 0.00 N ATOM 849 CZ ARG A 55 -12.613 -7.631 10.522 1.00 0.00 C ATOM 850 NH1 ARG A 55 -12.708 -8.160 11.712 1.00 0.00 N ATOM 851 NH2 ARG A 55 -13.598 -7.750 9.675 1.00 0.00 N ATOM 0 H ARG A 55 -7.982 -3.897 11.476 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.390 -3.437 9.093 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.574 -4.128 11.826 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.276 -4.505 10.265 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.129 -5.829 9.735 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.660 -5.603 11.409 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.823 -7.768 11.174 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.798 -6.691 12.155 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.457 -6.569 9.252 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.938 -8.067 12.374 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.552 -8.666 11.979 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.524 -7.337 8.745 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.442 -8.256 9.942 1.00 0.00 H new ATOM 865 N GLY A 56 -10.744 -1.639 11.511 1.00 0.00 N ATOM 866 CA GLY A 56 -11.496 -0.371 11.728 1.00 0.00 C ATOM 867 C GLY A 56 -10.549 0.826 11.621 1.00 0.00 C ATOM 868 O GLY A 56 -10.753 1.844 12.254 1.00 0.00 O ATOM 0 H GLY A 56 -10.636 -2.228 12.337 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.293 -0.281 10.990 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.970 -0.383 12.710 1.00 0.00 H new ATOM 872 N SER A 57 -9.513 0.722 10.831 1.00 0.00 N ATOM 873 CA SER A 57 -8.568 1.864 10.705 1.00 0.00 C ATOM 874 C SER A 57 -9.070 2.817 9.623 1.00 0.00 C ATOM 875 O SER A 57 -8.853 4.012 9.686 1.00 0.00 O ATOM 876 CB SER A 57 -7.183 1.342 10.323 1.00 0.00 C ATOM 877 OG SER A 57 -6.241 2.404 10.402 1.00 0.00 O ATOM 0 H SER A 57 -9.283 -0.100 10.272 1.00 0.00 H new ATOM 0 HA SER A 57 -8.505 2.392 11.656 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.891 0.531 10.990 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.202 0.932 9.313 1.00 0.00 H new ATOM 0 HG SER A 57 -5.529 2.259 9.744 1.00 0.00 H new ATOM 883 N LEU A 58 -9.736 2.295 8.630 1.00 0.00 N ATOM 884 CA LEU A 58 -10.254 3.159 7.533 1.00 0.00 C ATOM 885 C LEU A 58 -11.737 3.455 7.765 1.00 0.00 C ATOM 886 O LEU A 58 -12.349 2.916 8.666 1.00 0.00 O ATOM 887 CB LEU A 58 -10.087 2.454 6.189 1.00 0.00 C ATOM 888 CG LEU A 58 -8.822 1.595 6.198 1.00 0.00 C ATOM 889 CD1 LEU A 58 -8.634 0.970 4.816 1.00 0.00 C ATOM 890 CD2 LEU A 58 -7.610 2.471 6.525 1.00 0.00 C ATOM 0 H LEU A 58 -9.945 1.301 8.531 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.691 4.092 7.524 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.958 1.830 5.986 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -10.029 3.191 5.388 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.916 0.812 6.950 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.734 0.356 4.814 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.497 0.349 4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.537 1.759 4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.709 1.858 6.531 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.512 3.252 5.771 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.745 2.927 7.506 1.00 0.00 H new ATOM 902 N PHE A 59 -12.310 4.310 6.954 1.00 0.00 N ATOM 903 CA PHE A 59 -13.754 4.657 7.110 1.00 0.00 C ATOM 904 C PHE A 59 -14.512 4.254 5.842 1.00 0.00 C ATOM 905 O PHE A 59 -14.250 4.752 4.769 1.00 0.00 O ATOM 906 CB PHE A 59 -13.889 6.165 7.339 1.00 0.00 C ATOM 907 CG PHE A 59 -13.044 6.568 8.523 1.00 0.00 C ATOM 908 CD1 PHE A 59 -11.650 6.627 8.399 1.00 0.00 C ATOM 909 CD2 PHE A 59 -13.652 6.879 9.744 1.00 0.00 C ATOM 910 CE1 PHE A 59 -10.865 6.999 9.498 1.00 0.00 C ATOM 911 CE2 PHE A 59 -12.868 7.251 10.843 1.00 0.00 C ATOM 912 CZ PHE A 59 -11.474 7.311 10.720 1.00 0.00 C ATOM 0 H PHE A 59 -11.835 4.785 6.186 1.00 0.00 H new ATOM 0 HA PHE A 59 -14.172 4.124 7.964 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.572 6.709 6.449 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -14.932 6.425 7.517 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -11.181 6.386 7.457 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -14.727 6.832 9.839 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -9.790 7.045 9.403 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -13.338 7.492 11.785 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.869 7.598 11.567 1.00 0.00 H new ATOM 922 N MET A 60 -15.443 3.345 5.960 1.00 0.00 N ATOM 923 CA MET A 60 -16.209 2.890 4.760 1.00 0.00 C ATOM 924 C MET A 60 -17.307 3.897 4.403 1.00 0.00 C ATOM 925 O MET A 60 -17.922 4.496 5.263 1.00 0.00 O ATOM 926 CB MET A 60 -16.850 1.532 5.058 1.00 0.00 C ATOM 927 CG MET A 60 -15.939 0.414 4.549 1.00 0.00 C ATOM 928 SD MET A 60 -16.354 -1.133 5.393 1.00 0.00 S ATOM 929 CE MET A 60 -14.800 -1.997 5.060 1.00 0.00 C ATOM 0 H MET A 60 -15.708 2.896 6.837 1.00 0.00 H new ATOM 0 HA MET A 60 -15.522 2.808 3.917 1.00 0.00 H new ATOM 0 HB2 MET A 60 -17.013 1.423 6.130 1.00 0.00 H new ATOM 0 HB3 MET A 60 -17.827 1.466 4.579 1.00 0.00 H new ATOM 0 HG2 MET A 60 -16.057 0.296 3.472 1.00 0.00 H new ATOM 0 HG3 MET A 60 -14.895 0.670 4.729 1.00 0.00 H new ATOM 0 HE1 MET A 60 -14.836 -2.994 5.500 1.00 0.00 H new ATOM 0 HE2 MET A 60 -14.654 -2.081 3.983 1.00 0.00 H new ATOM 0 HE3 MET A 60 -13.972 -1.438 5.496 1.00 0.00 H new ATOM 939 N CYS A 61 -17.561 4.069 3.129 1.00 0.00 N ATOM 940 CA CYS A 61 -18.625 5.018 2.682 1.00 0.00 C ATOM 941 C CYS A 61 -19.852 4.218 2.237 1.00 0.00 C ATOM 942 O CYS A 61 -19.731 3.172 1.629 1.00 0.00 O ATOM 943 CB CYS A 61 -18.103 5.853 1.508 1.00 0.00 C ATOM 944 SG CYS A 61 -19.255 5.733 0.118 1.00 0.00 S ATOM 0 H CYS A 61 -17.072 3.588 2.374 1.00 0.00 H new ATOM 0 HA CYS A 61 -18.897 5.682 3.503 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -17.990 6.894 1.811 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -17.117 5.500 1.207 1.00 0.00 H new ATOM 0 HG CYS A 61 -18.811 6.444 -0.876 1.00 0.00 H new ATOM 1051 N ARG A 69 -15.346 3.515 -1.237 1.00 0.00 N ATOM 1052 CA ARG A 69 -14.053 4.252 -1.209 1.00 0.00 C ATOM 1053 C ARG A 69 -13.661 4.527 0.244 1.00 0.00 C ATOM 1054 O ARG A 69 -14.197 5.410 0.883 1.00 0.00 O ATOM 1055 CB ARG A 69 -14.200 5.572 -1.964 1.00 0.00 C ATOM 1056 CG ARG A 69 -14.575 5.285 -3.421 1.00 0.00 C ATOM 1057 CD ARG A 69 -13.632 6.048 -4.356 1.00 0.00 C ATOM 1058 NE ARG A 69 -14.159 5.985 -5.748 1.00 0.00 N ATOM 1059 CZ ARG A 69 -13.367 6.223 -6.758 1.00 0.00 C ATOM 1060 NH1 ARG A 69 -12.114 6.522 -6.548 1.00 0.00 N ATOM 1061 NH2 ARG A 69 -13.829 6.164 -7.976 1.00 0.00 N ATOM 0 HA ARG A 69 -13.278 3.652 -1.687 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -14.966 6.189 -1.494 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.267 6.134 -1.921 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -14.512 4.215 -3.619 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.607 5.583 -3.607 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -13.545 7.086 -4.035 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -12.632 5.616 -4.314 1.00 0.00 H new ATOM 0 HE ARG A 69 -15.139 5.756 -5.912 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.754 6.570 -5.595 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.495 6.708 -7.337 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -14.809 5.932 -8.139 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -13.211 6.350 -8.766 1.00 0.00 H new ATOM 1075 N THR A 70 -12.736 3.775 0.774 1.00 0.00 N ATOM 1076 CA THR A 70 -12.323 3.993 2.188 1.00 0.00 C ATOM 1077 C THR A 70 -11.349 5.166 2.273 1.00 0.00 C ATOM 1078 O THR A 70 -10.946 5.730 1.274 1.00 0.00 O ATOM 1079 CB THR A 70 -11.629 2.741 2.728 1.00 0.00 C ATOM 1080 OG1 THR A 70 -11.335 1.860 1.654 1.00 0.00 O ATOM 1081 CG2 THR A 70 -12.538 2.038 3.738 1.00 0.00 C ATOM 0 H THR A 70 -12.249 3.021 0.290 1.00 0.00 H new ATOM 0 HA THR A 70 -13.213 4.208 2.779 1.00 0.00 H new ATOM 0 HB THR A 70 -10.702 3.030 3.223 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.889 1.059 2.001 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.038 1.147 4.119 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.755 2.714 4.565 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.470 1.751 3.251 1.00 0.00 H new ATOM 1089 N TYR A 71 -10.961 5.527 3.464 1.00 0.00 N ATOM 1090 CA TYR A 71 -10.006 6.649 3.636 1.00 0.00 C ATOM 1091 C TYR A 71 -9.326 6.509 4.998 1.00 0.00 C ATOM 1092 O TYR A 71 -9.429 5.483 5.640 1.00 0.00 O ATOM 1093 CB TYR A 71 -10.756 7.978 3.553 1.00 0.00 C ATOM 1094 CG TYR A 71 -11.217 8.190 2.132 1.00 0.00 C ATOM 1095 CD1 TYR A 71 -10.347 8.755 1.192 1.00 0.00 C ATOM 1096 CD2 TYR A 71 -12.509 7.811 1.752 1.00 0.00 C ATOM 1097 CE1 TYR A 71 -10.770 8.942 -0.129 1.00 0.00 C ATOM 1098 CE2 TYR A 71 -12.932 7.998 0.432 1.00 0.00 C ATOM 1099 CZ TYR A 71 -12.062 8.563 -0.509 1.00 0.00 C ATOM 1100 OH TYR A 71 -12.480 8.747 -1.812 1.00 0.00 O ATOM 0 H TYR A 71 -11.269 5.087 4.331 1.00 0.00 H new ATOM 0 HA TYR A 71 -9.253 6.625 2.849 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.610 7.972 4.230 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.108 8.797 3.865 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -9.350 9.047 1.486 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -13.179 7.374 2.477 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -10.100 9.379 -0.854 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -13.930 7.707 0.138 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.408 8.445 -1.904 1.00 0.00 H new ATOM 1110 N LEU A 72 -8.624 7.521 5.435 1.00 0.00 N ATOM 1111 CA LEU A 72 -7.920 7.446 6.749 1.00 0.00 C ATOM 1112 C LEU A 72 -8.442 8.542 7.674 1.00 0.00 C ATOM 1113 O LEU A 72 -8.102 8.596 8.840 1.00 0.00 O ATOM 1114 CB LEU A 72 -6.411 7.634 6.548 1.00 0.00 C ATOM 1115 CG LEU A 72 -6.059 7.567 5.058 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -4.558 7.799 4.883 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -6.419 6.186 4.501 1.00 0.00 C ATOM 0 H LEU A 72 -8.507 8.402 4.935 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.107 6.468 7.194 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.100 8.594 6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.866 6.863 7.092 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.620 8.333 4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.304 7.752 3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.293 8.780 5.277 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.006 7.030 5.423 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.167 6.144 3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.860 5.420 5.038 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.487 6.010 4.627 1.00 0.00 H new ATOM 1129 N SER A 73 -9.267 9.414 7.168 1.00 0.00 N ATOM 1130 CA SER A 73 -9.812 10.499 8.024 1.00 0.00 C ATOM 1131 C SER A 73 -11.234 10.812 7.576 1.00 0.00 C ATOM 1132 O SER A 73 -11.486 11.046 6.411 1.00 0.00 O ATOM 1133 CB SER A 73 -8.942 11.749 7.880 1.00 0.00 C ATOM 1134 OG SER A 73 -7.572 11.383 7.979 1.00 0.00 O ATOM 0 H SER A 73 -9.586 9.421 6.199 1.00 0.00 H new ATOM 0 HA SER A 73 -9.814 10.183 9.067 1.00 0.00 H new ATOM 0 HB2 SER A 73 -9.133 12.230 6.921 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.194 12.472 8.655 1.00 0.00 H new ATOM 0 HG SER A 73 -7.012 12.182 7.886 1.00 0.00 H new ATOM 1140 N GLN A 74 -12.169 10.814 8.485 1.00 0.00 N ATOM 1141 CA GLN A 74 -13.572 11.115 8.096 1.00 0.00 C ATOM 1142 C GLN A 74 -13.576 12.355 7.207 1.00 0.00 C ATOM 1143 O GLN A 74 -14.448 12.540 6.390 1.00 0.00 O ATOM 1144 CB GLN A 74 -14.407 11.380 9.350 1.00 0.00 C ATOM 1145 CG GLN A 74 -15.881 11.095 9.052 1.00 0.00 C ATOM 1146 CD GLN A 74 -16.166 9.607 9.259 1.00 0.00 C ATOM 1147 OE1 GLN A 74 -15.786 8.749 8.350 1.00 0.00 O flip ATOM 1148 NE2 GLN A 74 -16.741 9.219 10.256 1.00 0.00 N flip ATOM 0 H GLN A 74 -12.022 10.621 9.476 1.00 0.00 H new ATOM 0 HA GLN A 74 -13.999 10.269 7.557 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.062 10.749 10.169 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.283 12.415 9.670 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -16.517 11.692 9.706 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -16.118 11.382 8.028 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -17.038 9.888 10.966 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -16.927 8.224 10.383 1.00 0.00 H new ATOM 1157 N ARG A 75 -12.592 13.196 7.354 1.00 0.00 N ATOM 1158 CA ARG A 75 -12.518 14.425 6.517 1.00 0.00 C ATOM 1159 C ARG A 75 -12.284 14.046 5.055 1.00 0.00 C ATOM 1160 O ARG A 75 -12.716 14.729 4.148 1.00 0.00 O ATOM 1161 CB ARG A 75 -11.348 15.275 7.008 1.00 0.00 C ATOM 1162 CG ARG A 75 -11.350 16.624 6.291 1.00 0.00 C ATOM 1163 CD ARG A 75 -9.928 16.964 5.842 1.00 0.00 C ATOM 1164 NE ARG A 75 -9.859 18.402 5.457 1.00 0.00 N ATOM 1165 CZ ARG A 75 -8.760 18.888 4.951 1.00 0.00 C ATOM 1166 NH1 ARG A 75 -7.723 18.114 4.777 1.00 0.00 N ATOM 1167 NH2 ARG A 75 -8.698 20.147 4.616 1.00 0.00 N ATOM 0 H ARG A 75 -11.830 13.084 8.023 1.00 0.00 H new ATOM 0 HA ARG A 75 -13.453 14.981 6.595 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.423 15.425 8.085 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.407 14.756 6.823 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.016 16.589 5.429 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.729 17.401 6.955 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.222 16.758 6.646 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.642 16.336 4.998 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.671 19.005 5.589 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.773 17.129 5.037 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.863 18.494 4.381 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.509 20.751 4.750 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.838 20.528 4.220 1.00 0.00 H new ATOM 1181 N ASP A 76 -11.601 12.967 4.822 1.00 0.00 N ATOM 1182 CA ASP A 76 -11.330 12.541 3.423 1.00 0.00 C ATOM 1183 C ASP A 76 -12.533 11.761 2.910 1.00 0.00 C ATOM 1184 O ASP A 76 -12.903 11.839 1.753 1.00 0.00 O ATOM 1185 CB ASP A 76 -10.086 11.651 3.391 1.00 0.00 C ATOM 1186 CG ASP A 76 -8.838 12.523 3.245 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -8.466 13.160 4.216 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -8.273 12.537 2.163 1.00 0.00 O ATOM 0 H ASP A 76 -11.216 12.357 5.543 1.00 0.00 H new ATOM 0 HA ASP A 76 -11.158 13.414 2.793 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.025 11.060 4.305 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.150 10.948 2.561 1.00 0.00 H new ATOM 1193 N LEU A 77 -13.166 11.030 3.777 1.00 0.00 N ATOM 1194 CA LEU A 77 -14.356 10.266 3.371 1.00 0.00 C ATOM 1195 C LEU A 77 -15.502 11.247 3.251 1.00 0.00 C ATOM 1196 O LEU A 77 -16.341 11.140 2.385 1.00 0.00 O ATOM 1197 CB LEU A 77 -14.661 9.220 4.435 1.00 0.00 C ATOM 1198 CG LEU A 77 -16.012 8.575 4.145 1.00 0.00 C ATOM 1199 CD1 LEU A 77 -15.899 7.065 4.336 1.00 0.00 C ATOM 1200 CD2 LEU A 77 -17.054 9.143 5.111 1.00 0.00 C ATOM 0 H LEU A 77 -12.902 10.932 4.757 1.00 0.00 H new ATOM 0 HA LEU A 77 -14.198 9.756 2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.879 8.461 4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.672 9.683 5.422 1.00 0.00 H new ATOM 0 HG LEU A 77 -16.314 8.787 3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -16.863 6.599 4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -15.150 6.667 3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.604 6.849 5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -18.023 8.687 4.910 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.756 8.925 6.137 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -17.126 10.222 4.975 1.00 0.00 H new ATOM 1212 N GLN A 78 -15.530 12.235 4.094 1.00 0.00 N ATOM 1213 CA GLN A 78 -16.612 13.235 3.973 1.00 0.00 C ATOM 1214 C GLN A 78 -16.364 13.961 2.670 1.00 0.00 C ATOM 1215 O GLN A 78 -17.260 14.265 1.894 1.00 0.00 O ATOM 1216 CB GLN A 78 -16.554 14.234 5.129 1.00 0.00 C ATOM 1217 CG GLN A 78 -17.876 14.989 5.225 1.00 0.00 C ATOM 1218 CD GLN A 78 -18.150 15.763 3.933 1.00 0.00 C ATOM 1219 OE1 GLN A 78 -19.058 15.322 3.103 1.00 0.00 O flip ATOM 1220 NE2 GLN A 78 -17.533 16.777 3.677 1.00 0.00 N flip ATOM 0 H GLN A 78 -14.862 12.390 4.849 1.00 0.00 H new ATOM 0 HA GLN A 78 -17.591 12.756 3.998 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -16.354 13.711 6.064 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -15.734 14.936 4.975 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -18.689 14.288 5.414 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -17.847 15.678 6.069 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -16.825 17.120 4.326 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -17.723 17.285 2.813 1.00 0.00 H new ATOM 1229 N ALA A 79 -15.123 14.208 2.427 1.00 0.00 N ATOM 1230 CA ALA A 79 -14.733 14.888 1.183 1.00 0.00 C ATOM 1231 C ALA A 79 -15.042 13.961 0.021 1.00 0.00 C ATOM 1232 O ALA A 79 -15.182 14.392 -1.103 1.00 0.00 O ATOM 1233 CB ALA A 79 -13.236 15.201 1.207 1.00 0.00 C ATOM 0 H ALA A 79 -14.351 13.964 3.047 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.282 15.824 1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.955 15.705 0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.013 15.849 2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.672 14.273 1.301 1.00 0.00 H new ATOM 1239 N HIS A 80 -15.165 12.683 0.274 1.00 0.00 N ATOM 1240 CA HIS A 80 -15.469 11.763 -0.856 1.00 0.00 C ATOM 1241 C HIS A 80 -16.936 11.928 -1.245 1.00 0.00 C ATOM 1242 O HIS A 80 -17.290 11.936 -2.407 1.00 0.00 O ATOM 1243 CB HIS A 80 -15.187 10.309 -0.466 1.00 0.00 C ATOM 1244 CG HIS A 80 -15.807 9.387 -1.481 1.00 0.00 C ATOM 1245 ND1 HIS A 80 -15.181 9.066 -2.674 1.00 0.00 N ATOM 1246 CD2 HIS A 80 -16.999 8.707 -1.490 1.00 0.00 C ATOM 1247 CE1 HIS A 80 -15.993 8.228 -3.345 1.00 0.00 C ATOM 1248 NE2 HIS A 80 -17.115 7.976 -2.667 1.00 0.00 N ATOM 0 H HIS A 80 -15.070 12.247 1.191 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.830 12.012 -1.703 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -14.112 10.138 -0.413 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -15.592 10.102 0.524 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -14.271 9.403 -2.987 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -17.736 8.735 -0.701 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -15.764 7.810 -4.314 1.00 0.00 H new ATOM 1256 N ILE A 81 -17.786 12.070 -0.272 1.00 0.00 N ATOM 1257 CA ILE A 81 -19.239 12.249 -0.562 1.00 0.00 C ATOM 1258 C ILE A 81 -19.461 13.494 -1.398 1.00 0.00 C ATOM 1259 O ILE A 81 -20.122 13.458 -2.412 1.00 0.00 O ATOM 1260 CB ILE A 81 -20.028 12.433 0.735 1.00 0.00 C ATOM 1261 CG1 ILE A 81 -19.415 11.608 1.858 1.00 0.00 C ATOM 1262 CG2 ILE A 81 -21.485 12.026 0.525 1.00 0.00 C ATOM 1263 CD1 ILE A 81 -19.293 10.137 1.458 1.00 0.00 C ATOM 0 H ILE A 81 -17.540 12.070 0.718 1.00 0.00 H new ATOM 0 HA ILE A 81 -19.576 11.359 -1.094 1.00 0.00 H new ATOM 0 HB ILE A 81 -19.988 13.485 1.016 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.430 12.003 2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -20.030 11.695 2.754 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -22.038 12.161 1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -21.928 12.647 -0.254 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -21.531 10.979 0.224 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.852 9.572 2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -20.282 9.738 1.233 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.658 10.051 0.576 1.00 0.00 H new ATOM 1275 N ASN A 82 -18.944 14.605 -0.970 1.00 0.00 N ATOM 1276 CA ASN A 82 -19.175 15.853 -1.741 1.00 0.00 C ATOM 1277 C ASN A 82 -18.327 15.851 -3.000 1.00 0.00 C ATOM 1278 O ASN A 82 -18.574 16.604 -3.920 1.00 0.00 O ATOM 1279 CB ASN A 82 -18.822 17.070 -0.892 1.00 0.00 C ATOM 1280 CG ASN A 82 -17.554 16.797 -0.091 1.00 0.00 C ATOM 1281 OD1 ASN A 82 -17.641 16.611 1.198 1.00 0.00 O flip ATOM 1282 ND2 ASN A 82 -16.475 16.760 -0.645 1.00 0.00 N flip ATOM 0 H ASN A 82 -18.377 14.705 -0.128 1.00 0.00 H new ATOM 0 HA ASN A 82 -20.229 15.902 -2.016 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -18.677 17.940 -1.532 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -19.645 17.304 -0.217 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -16.414 16.906 -1.653 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -15.629 16.583 -0.103 1.00 0.00 H new ATOM 1289 N HIS A 83 -17.318 15.031 -3.053 1.00 0.00 N ATOM 1290 CA HIS A 83 -16.466 15.033 -4.267 1.00 0.00 C ATOM 1291 C HIS A 83 -17.035 14.121 -5.353 1.00 0.00 C ATOM 1292 O HIS A 83 -16.758 14.324 -6.518 1.00 0.00 O ATOM 1293 CB HIS A 83 -15.050 14.565 -3.925 1.00 0.00 C ATOM 1294 CG HIS A 83 -14.319 15.660 -3.199 1.00 0.00 C ATOM 1295 ND1 HIS A 83 -14.733 16.881 -2.724 1.00 0.00 N flip ATOM 1296 CD2 HIS A 83 -12.972 15.564 -2.875 1.00 0.00 C flip ATOM 1297 CE1 HIS A 83 -13.662 17.529 -2.119 1.00 0.00 C flip ATOM 1298 NE2 HIS A 83 -12.626 16.697 -2.235 1.00 0.00 N flip ATOM 0 H HIS A 83 -17.051 14.371 -2.322 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.442 16.056 -4.642 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -15.092 13.669 -3.306 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -14.514 14.298 -4.836 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -12.320 14.732 -3.096 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -13.668 18.503 -1.652 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -11.689 16.894 -1.883 1.00 0.00 H new ATOM 1307 N ARG A 84 -17.789 13.101 -4.998 1.00 0.00 N ATOM 1308 CA ARG A 84 -18.305 12.173 -6.055 1.00 0.00 C ATOM 1309 C ARG A 84 -19.819 11.969 -5.945 1.00 0.00 C ATOM 1310 O ARG A 84 -20.471 11.665 -6.924 1.00 0.00 O ATOM 1311 CB ARG A 84 -17.601 10.809 -5.942 1.00 0.00 C ATOM 1312 CG ARG A 84 -16.123 10.977 -5.539 1.00 0.00 C ATOM 1313 CD ARG A 84 -15.304 11.420 -6.753 1.00 0.00 C ATOM 1314 NE ARG A 84 -13.881 11.603 -6.350 1.00 0.00 N ATOM 1315 CZ ARG A 84 -12.938 11.567 -7.252 1.00 0.00 C ATOM 1316 NH1 ARG A 84 -13.242 11.380 -8.507 1.00 0.00 N ATOM 1317 NH2 ARG A 84 -11.691 11.720 -6.897 1.00 0.00 N ATOM 0 H ARG A 84 -18.063 12.876 -4.042 1.00 0.00 H new ATOM 0 HA ARG A 84 -18.093 12.628 -7.023 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -18.114 10.192 -5.204 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -17.663 10.284 -6.895 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -16.035 11.714 -4.741 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -15.733 10.037 -5.149 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -15.376 10.675 -7.546 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -15.703 12.352 -7.154 1.00 0.00 H new ATOM 0 HE ARG A 84 -13.644 11.756 -5.370 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -14.217 11.262 -8.784 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.505 11.352 -9.212 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.454 11.867 -5.916 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.953 11.692 -7.601 1.00 0.00 H new ATOM 1331 N HIS A 85 -20.386 12.125 -4.782 1.00 0.00 N ATOM 1332 CA HIS A 85 -21.856 11.926 -4.640 1.00 0.00 C ATOM 1333 C HIS A 85 -22.545 13.282 -4.668 1.00 0.00 C ATOM 1334 O HIS A 85 -23.493 13.495 -5.399 1.00 0.00 O ATOM 1335 CB HIS A 85 -22.149 11.224 -3.313 1.00 0.00 C ATOM 1336 CG HIS A 85 -21.265 10.015 -3.181 1.00 0.00 C ATOM 1337 ND1 HIS A 85 -21.777 8.734 -3.044 1.00 0.00 N ATOM 1338 CD2 HIS A 85 -19.900 9.876 -3.161 1.00 0.00 C ATOM 1339 CE1 HIS A 85 -20.735 7.888 -2.949 1.00 0.00 C ATOM 1340 NE2 HIS A 85 -19.567 8.533 -3.014 1.00 0.00 N ATOM 0 H HIS A 85 -19.897 12.381 -3.924 1.00 0.00 H new ATOM 0 HA HIS A 85 -22.228 11.311 -5.459 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -21.976 11.907 -2.482 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -23.197 10.928 -3.269 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -19.191 10.686 -3.246 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -20.831 6.818 -2.834 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -18.632 8.128 -2.966 1.00 0.00 H new