USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 662 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 NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 150 ZNZN :(H bumps) USER MOD Set 1.1: A 70 ASN : amide:sc= -1.04! C(o=-1!,f=-2.1!) USER MOD Set 1.2: A 74 CYS SG : rot 150:sc= 0 USER MOD Set 2.1: A 15 TYR OH : rot 180:sc= 1.01 USER MOD Set 2.2: A 72 THR OG1 : rot 149:sc= 1.26 USER MOD Set 3.1: A 65 SER OG : rot 180:sc= -0.078 USER MOD Set 3.2: A 68 GLN : amide:sc= 0 X(o=-0.078,f=-0.52) USER MOD Set 4.1: A 11 ASN : amide:sc= 0.621 K(o=2.5,f=1.7) USER MOD Set 4.2: A 56 THR OG1 : rot -43:sc= 0.383 USER MOD Set 4.3: A 58 TYR OH : rot -123:sc= 1.46 USER MOD Set 5.1: A 10 GLN : amide:sc= 0.0605 K(o=-0.47,f=-2.9) USER MOD Set 5.2: A 84 HIS : no HD1:sc= -0.529 K(o=-0.47,f=-4.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 1.3 (180deg=1.16) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc=-0.00156 K(o=-0.0016,f=-0.83) USER MOD Single : A 8 HIS : no HD1:sc= -1.83! K(o=-1.8!,f=0.28) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -165:sc= 0 (180deg=-0.124) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 MET CE :methyl 165:sc= -1.08 (180deg=-1.29) USER MOD Single : A 45 SER OG : rot 180:sc= 0.115 USER MOD Single : A 46 THR OG1 : rot 108:sc= 1.13 USER MOD Single : A 49 LYS NZ :NH3+ 170:sc= 1.31 (180deg=1.21) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 77:sc= 0.0306 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0701 USER MOD Single : A 63 SER OG : rot -35:sc= 0.127 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.047 X(o=-0.047,f=-0.091) USER MOD Single : A 69 THR OG1 : rot 22:sc= 1.28 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -1.98! C(o=-2!,f=-5.2!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.0045) USER MOD Single : A 83 HIS : no HE2:sc= 1.1 K(o=1.1,f=-4.3!) USER MOD Single : A 85 HIS : no HD1:sc= -0.281 K(o=-0.28,f=-0.9) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.158 -16.721 3.174 1.00 0.00 N ATOM 2 CA MET A 1 -7.172 -17.527 2.420 1.00 0.00 C ATOM 3 C MET A 1 -6.977 -16.937 1.031 1.00 0.00 C ATOM 4 O MET A 1 -7.957 -16.670 0.331 1.00 0.00 O ATOM 5 CB MET A 1 -7.646 -18.979 2.322 1.00 0.00 C ATOM 6 CG MET A 1 -6.612 -19.925 1.737 1.00 0.00 C ATOM 7 SD MET A 1 -7.169 -21.641 1.749 1.00 0.00 S ATOM 8 CE MET A 1 -5.708 -22.476 1.133 1.00 0.00 C ATOM 0 H1 MET A 1 -8.200 -17.055 4.158 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.873 -15.721 3.160 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.096 -16.820 2.735 1.00 0.00 H new ATOM 0 HA MET A 1 -6.218 -17.509 2.946 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.923 -19.329 3.317 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.547 -19.016 1.709 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.387 -19.626 0.713 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.685 -19.842 2.304 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.896 -23.549 1.083 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.468 -22.103 0.137 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.870 -22.285 1.804 1.00 0.00 H new ATOM 20 N ALA A 2 -5.713 -16.730 0.642 1.00 0.00 N ATOM 21 CA ALA A 2 -5.379 -16.077 -0.628 1.00 0.00 C ATOM 22 C ALA A 2 -6.070 -14.720 -0.712 1.00 0.00 C ATOM 23 O ALA A 2 -6.606 -14.337 -1.754 1.00 0.00 O ATOM 24 CB ALA A 2 -5.768 -16.964 -1.805 1.00 0.00 C ATOM 0 H ALA A 2 -4.901 -17.008 1.193 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.301 -15.919 -0.673 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.513 -16.463 -2.738 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.229 -17.909 -1.742 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.841 -17.155 -1.778 1.00 0.00 H new ATOM 30 N ASP A 3 -6.018 -13.988 0.392 1.00 0.00 N ATOM 31 CA ASP A 3 -6.816 -12.780 0.565 1.00 0.00 C ATOM 32 C ASP A 3 -6.300 -11.603 -0.243 1.00 0.00 C ATOM 33 O ASP A 3 -5.098 -11.437 -0.453 1.00 0.00 O ATOM 34 CB ASP A 3 -6.877 -12.376 2.040 1.00 0.00 C ATOM 35 CG ASP A 3 -7.748 -13.297 2.859 1.00 0.00 C ATOM 36 OD1 ASP A 3 -8.971 -13.066 2.915 1.00 0.00 O ATOM 37 OD2 ASP A 3 -7.213 -14.258 3.451 1.00 0.00 O ATOM 0 H ASP A 3 -5.424 -14.213 1.191 1.00 0.00 H new ATOM 0 HA ASP A 3 -7.812 -13.028 0.197 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.869 -12.373 2.454 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.257 -11.357 2.118 1.00 0.00 H new ATOM 42 N TYR A 4 -7.247 -10.796 -0.694 1.00 0.00 N ATOM 43 CA TYR A 4 -6.968 -9.508 -1.312 1.00 0.00 C ATOM 44 C TYR A 4 -7.389 -8.406 -0.344 1.00 0.00 C ATOM 45 O TYR A 4 -7.347 -7.214 -0.656 1.00 0.00 O ATOM 46 CB TYR A 4 -7.742 -9.380 -2.633 1.00 0.00 C ATOM 47 CG TYR A 4 -9.223 -9.672 -2.491 1.00 0.00 C ATOM 48 CD1 TYR A 4 -10.125 -8.664 -2.172 1.00 0.00 C ATOM 49 CD2 TYR A 4 -9.713 -10.962 -2.659 1.00 0.00 C ATOM 50 CE1 TYR A 4 -11.473 -8.934 -2.025 1.00 0.00 C ATOM 51 CE2 TYR A 4 -11.057 -11.239 -2.510 1.00 0.00 C ATOM 52 CZ TYR A 4 -11.933 -10.224 -2.195 1.00 0.00 C ATOM 53 OH TYR A 4 -13.275 -10.501 -2.033 1.00 0.00 O ATOM 0 H TYR A 4 -8.241 -11.018 -0.641 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.904 -9.421 -1.530 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.614 -8.371 -3.025 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -7.313 -10.064 -3.365 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -9.767 -7.654 -2.037 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.031 -11.761 -2.910 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -12.162 -8.140 -1.779 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.420 -12.248 -2.640 1.00 0.00 H new ATOM 0 HH TYR A 4 -13.433 -11.455 -2.189 1.00 0.00 H new ATOM 63 N ASN A 5 -7.789 -8.836 0.849 1.00 0.00 N ATOM 64 CA ASN A 5 -8.359 -7.948 1.852 1.00 0.00 C ATOM 65 C ASN A 5 -7.272 -7.291 2.689 1.00 0.00 C ATOM 66 O ASN A 5 -7.077 -7.624 3.859 1.00 0.00 O ATOM 67 CB ASN A 5 -9.328 -8.722 2.753 1.00 0.00 C ATOM 68 CG ASN A 5 -10.584 -9.153 2.019 1.00 0.00 C ATOM 69 OD1 ASN A 5 -11.081 -8.443 1.146 1.00 0.00 O ATOM 70 ND2 ASN A 5 -11.091 -10.331 2.349 1.00 0.00 N ATOM 0 H ASN A 5 -7.726 -9.810 1.146 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.906 -7.160 1.334 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -8.824 -9.602 3.152 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.604 -8.099 3.604 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -11.923 -10.679 1.873 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.649 -10.890 3.079 1.00 0.00 H new ATOM 77 N ILE A 6 -6.551 -6.379 2.066 1.00 0.00 N ATOM 78 CA ILE A 6 -5.535 -5.597 2.750 1.00 0.00 C ATOM 79 C ILE A 6 -5.750 -4.121 2.453 1.00 0.00 C ATOM 80 O ILE A 6 -6.333 -3.775 1.422 1.00 0.00 O ATOM 81 CB ILE A 6 -4.101 -5.997 2.326 1.00 0.00 C ATOM 82 CG1 ILE A 6 -3.930 -5.861 0.808 1.00 0.00 C ATOM 83 CG2 ILE A 6 -3.786 -7.416 2.779 1.00 0.00 C ATOM 84 CD1 ILE A 6 -2.516 -6.108 0.326 1.00 0.00 C ATOM 0 H ILE A 6 -6.651 -6.158 1.075 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.633 -5.795 3.818 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.397 -5.320 2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.600 -6.563 0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.237 -4.860 0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.774 -7.680 2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.864 -7.477 3.865 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.495 -8.109 2.325 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.476 -5.994 -0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.842 -5.389 0.792 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.211 -7.119 0.596 1.00 0.00 H new ATOM 96 N PRO A 7 -5.323 -3.234 3.359 1.00 0.00 N ATOM 97 CA PRO A 7 -5.401 -1.792 3.139 1.00 0.00 C ATOM 98 C PRO A 7 -4.597 -1.365 1.914 1.00 0.00 C ATOM 99 O PRO A 7 -3.372 -1.256 1.965 1.00 0.00 O ATOM 100 CB PRO A 7 -4.810 -1.190 4.419 1.00 0.00 C ATOM 101 CG PRO A 7 -4.918 -2.274 5.435 1.00 0.00 C ATOM 102 CD PRO A 7 -4.752 -3.558 4.675 1.00 0.00 C ATOM 0 HA PRO A 7 -6.421 -1.460 2.946 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.773 -0.888 4.272 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.360 -0.301 4.729 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.150 -2.170 6.202 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -5.882 -2.241 5.943 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.705 -3.851 4.600 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.281 -4.382 5.153 1.00 0.00 H new ATOM 110 N HIS A 8 -5.291 -1.167 0.804 1.00 0.00 N ATOM 111 CA HIS A 8 -4.651 -0.755 -0.436 1.00 0.00 C ATOM 112 C HIS A 8 -4.605 0.764 -0.542 1.00 0.00 C ATOM 113 O HIS A 8 -5.638 1.438 -0.542 1.00 0.00 O ATOM 114 CB HIS A 8 -5.327 -1.391 -1.671 1.00 0.00 C ATOM 115 CG HIS A 8 -6.825 -1.218 -1.773 1.00 0.00 C ATOM 116 ND1 HIS A 8 -7.546 -1.602 -2.885 1.00 0.00 N ATOM 117 CD2 HIS A 8 -7.738 -0.737 -0.892 1.00 0.00 C ATOM 118 CE1 HIS A 8 -8.827 -1.361 -2.684 1.00 0.00 C ATOM 119 NE2 HIS A 8 -8.974 -0.840 -1.482 1.00 0.00 N ATOM 0 H HIS A 8 -6.302 -1.286 0.736 1.00 0.00 H new ATOM 0 HA HIS A 8 -3.625 -1.121 -0.416 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -4.871 -0.969 -2.567 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.104 -2.458 -1.672 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.531 -0.345 0.093 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -9.623 -1.558 -3.387 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -9.859 -0.560 -1.060 1.00 0.00 H new ATOM 128 N PHE A 9 -3.395 1.293 -0.616 1.00 0.00 N ATOM 129 CA PHE A 9 -3.174 2.728 -0.637 1.00 0.00 C ATOM 130 C PHE A 9 -2.871 3.213 -2.049 1.00 0.00 C ATOM 131 O PHE A 9 -2.715 2.412 -2.974 1.00 0.00 O ATOM 132 CB PHE A 9 -2.023 3.100 0.301 1.00 0.00 C ATOM 133 CG PHE A 9 -2.268 2.720 1.733 1.00 0.00 C ATOM 134 CD1 PHE A 9 -3.033 3.529 2.557 1.00 0.00 C ATOM 135 CD2 PHE A 9 -1.737 1.550 2.255 1.00 0.00 C ATOM 136 CE1 PHE A 9 -3.264 3.180 3.873 1.00 0.00 C ATOM 137 CE2 PHE A 9 -1.966 1.196 3.572 1.00 0.00 C ATOM 138 CZ PHE A 9 -2.730 2.014 4.382 1.00 0.00 C ATOM 0 H PHE A 9 -2.539 0.740 -0.663 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.087 3.216 -0.295 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.111 2.612 -0.045 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -1.851 4.175 0.243 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.454 4.443 2.166 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.138 0.908 1.626 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.863 3.820 4.504 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.548 0.282 3.967 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.909 1.741 5.412 1.00 0.00 H new ATOM 148 N GLN A 10 -2.795 4.525 -2.198 1.00 0.00 N ATOM 149 CA GLN A 10 -2.544 5.158 -3.481 1.00 0.00 C ATOM 150 C GLN A 10 -1.745 6.433 -3.279 1.00 0.00 C ATOM 151 O GLN A 10 -2.006 7.187 -2.344 1.00 0.00 O ATOM 152 CB GLN A 10 -3.873 5.486 -4.169 1.00 0.00 C ATOM 153 CG GLN A 10 -4.802 6.349 -3.318 1.00 0.00 C ATOM 154 CD GLN A 10 -4.981 7.757 -3.853 1.00 0.00 C ATOM 155 OE1 GLN A 10 -4.094 8.318 -4.499 1.00 0.00 O ATOM 156 NE2 GLN A 10 -6.136 8.345 -3.579 1.00 0.00 N ATOM 0 H GLN A 10 -2.906 5.184 -1.428 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.975 4.473 -4.109 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.670 6.001 -5.108 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.383 4.556 -4.420 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.777 5.866 -3.256 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.407 6.402 -2.303 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.846 7.848 -3.041 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.315 9.294 -3.906 1.00 0.00 H new ATOM 165 N ASN A 11 -0.762 6.673 -4.128 1.00 0.00 N ATOM 166 CA ASN A 11 -0.060 7.941 -4.091 1.00 0.00 C ATOM 167 C ASN A 11 0.057 8.539 -5.492 1.00 0.00 C ATOM 168 O ASN A 11 0.968 8.228 -6.256 1.00 0.00 O ATOM 169 CB ASN A 11 1.318 7.791 -3.414 1.00 0.00 C ATOM 170 CG ASN A 11 2.227 6.756 -4.072 1.00 0.00 C ATOM 171 OD1 ASN A 11 2.129 5.555 -3.803 1.00 0.00 O ATOM 172 ND2 ASN A 11 3.148 7.219 -4.904 1.00 0.00 N ATOM 0 H ASN A 11 -0.437 6.019 -4.840 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.642 8.637 -3.487 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.821 8.758 -3.421 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.170 7.517 -2.370 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.806 6.576 -5.346 1.00 0.00 H new ATOM 0 HD22 ASN A 11 3.199 8.218 -5.103 1.00 0.00 H new ATOM 179 N ASP A 12 -0.906 9.379 -5.836 1.00 0.00 N ATOM 180 CA ASP A 12 -0.846 10.145 -7.078 1.00 0.00 C ATOM 181 C ASP A 12 -0.134 11.466 -6.853 1.00 0.00 C ATOM 182 O ASP A 12 0.433 12.048 -7.778 1.00 0.00 O ATOM 183 CB ASP A 12 -2.247 10.387 -7.644 1.00 0.00 C ATOM 184 CG ASP A 12 -2.855 9.131 -8.232 1.00 0.00 C ATOM 185 OD1 ASP A 12 -2.580 8.829 -9.410 1.00 0.00 O ATOM 186 OD2 ASP A 12 -3.613 8.445 -7.517 1.00 0.00 O ATOM 0 H ASP A 12 -1.740 9.550 -5.275 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.282 9.562 -7.806 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.895 10.766 -6.854 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.197 11.158 -8.413 1.00 0.00 H new ATOM 191 N LEU A 13 -0.162 11.929 -5.609 1.00 0.00 N ATOM 192 CA LEU A 13 0.387 13.233 -5.256 1.00 0.00 C ATOM 193 C LEU A 13 1.840 13.109 -4.815 1.00 0.00 C ATOM 194 O LEU A 13 2.430 14.063 -4.308 1.00 0.00 O ATOM 195 CB LEU A 13 -0.438 13.885 -4.137 1.00 0.00 C ATOM 196 CG LEU A 13 -1.916 14.143 -4.455 1.00 0.00 C ATOM 197 CD1 LEU A 13 -2.748 12.878 -4.285 1.00 0.00 C ATOM 198 CD2 LEU A 13 -2.458 15.255 -3.572 1.00 0.00 C ATOM 0 H LEU A 13 -0.562 11.417 -4.823 1.00 0.00 H new ATOM 0 HA LEU A 13 0.341 13.863 -6.144 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.383 13.249 -3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.028 14.835 -3.875 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.987 14.452 -5.498 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.791 13.094 -4.518 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.378 12.106 -4.960 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.671 12.528 -3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.508 15.428 -3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.364 14.967 -2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.891 16.169 -3.749 1.00 0.00 H new ATOM 210 N GLY A 14 2.410 11.932 -5.010 1.00 0.00 N ATOM 211 CA GLY A 14 3.782 11.702 -4.615 1.00 0.00 C ATOM 212 C GLY A 14 3.907 11.393 -3.139 1.00 0.00 C ATOM 213 O GLY A 14 3.713 10.249 -2.734 1.00 0.00 O ATOM 0 H GLY A 14 1.946 11.130 -5.436 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.191 10.874 -5.194 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.379 12.582 -4.852 1.00 0.00 H new ATOM 217 N TYR A 15 4.193 12.428 -2.344 1.00 0.00 N ATOM 218 CA TYR A 15 4.436 12.282 -0.905 1.00 0.00 C ATOM 219 C TYR A 15 5.706 11.483 -0.640 1.00 0.00 C ATOM 220 O TYR A 15 5.781 10.287 -0.925 1.00 0.00 O ATOM 221 CB TYR A 15 3.243 11.639 -0.199 1.00 0.00 C ATOM 222 CG TYR A 15 2.185 12.623 0.235 1.00 0.00 C ATOM 223 CD1 TYR A 15 1.259 13.130 -0.667 1.00 0.00 C ATOM 224 CD2 TYR A 15 2.119 13.049 1.554 1.00 0.00 C ATOM 225 CE1 TYR A 15 0.297 14.037 -0.265 1.00 0.00 C ATOM 226 CE2 TYR A 15 1.163 13.954 1.964 1.00 0.00 C ATOM 227 CZ TYR A 15 0.255 14.444 1.054 1.00 0.00 C ATOM 228 OH TYR A 15 -0.693 15.352 1.465 1.00 0.00 O ATOM 0 H TYR A 15 4.263 13.389 -2.678 1.00 0.00 H new ATOM 0 HA TYR A 15 4.570 13.284 -0.496 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.791 10.905 -0.866 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.601 11.096 0.676 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.291 12.811 -1.698 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.829 12.665 2.272 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.417 14.425 -0.977 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.127 14.277 2.994 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.583 15.529 2.423 1.00 0.00 H new ATOM 238 N LYS A 16 6.698 12.154 -0.081 1.00 0.00 N ATOM 239 CA LYS A 16 8.011 11.558 0.109 1.00 0.00 C ATOM 240 C LYS A 16 7.987 10.421 1.120 1.00 0.00 C ATOM 241 O LYS A 16 8.495 9.337 0.848 1.00 0.00 O ATOM 242 CB LYS A 16 9.019 12.628 0.532 1.00 0.00 C ATOM 243 CG LYS A 16 10.438 12.114 0.694 1.00 0.00 C ATOM 244 CD LYS A 16 11.395 13.243 1.031 1.00 0.00 C ATOM 245 CE LYS A 16 12.818 12.739 1.201 1.00 0.00 C ATOM 246 NZ LYS A 16 13.752 13.836 1.573 1.00 0.00 N ATOM 0 H LYS A 16 6.620 13.115 0.251 1.00 0.00 H new ATOM 0 HA LYS A 16 8.317 11.131 -0.846 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.016 13.428 -0.209 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.693 13.066 1.475 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.467 11.361 1.482 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.758 11.625 -0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.366 13.993 0.241 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.070 13.734 1.948 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.841 11.966 1.969 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.153 12.276 0.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.713 13.453 1.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.750 14.562 0.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.447 14.262 2.472 1.00 0.00 H new ATOM 260 N ILE A 17 7.416 10.664 2.283 1.00 0.00 N ATOM 261 CA ILE A 17 7.302 9.619 3.282 1.00 0.00 C ATOM 262 C ILE A 17 5.846 9.415 3.652 1.00 0.00 C ATOM 263 O ILE A 17 5.218 10.293 4.242 1.00 0.00 O ATOM 264 CB ILE A 17 8.123 9.937 4.552 1.00 0.00 C ATOM 265 CG1 ILE A 17 9.612 10.037 4.208 1.00 0.00 C ATOM 266 CG2 ILE A 17 7.895 8.869 5.616 1.00 0.00 C ATOM 267 CD1 ILE A 17 10.504 10.294 5.406 1.00 0.00 C ATOM 0 H ILE A 17 7.027 11.566 2.558 1.00 0.00 H new ATOM 0 HA ILE A 17 7.707 8.705 2.847 1.00 0.00 H new ATOM 0 HB ILE A 17 7.791 10.896 4.950 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.926 9.111 3.726 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.754 10.838 3.483 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.481 9.109 6.503 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.837 8.836 5.877 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.204 7.898 5.229 1.00 0.00 H new ATOM 0 HD11 ILE A 17 11.543 10.352 5.081 1.00 0.00 H new ATOM 0 HD12 ILE A 17 10.219 11.235 5.877 1.00 0.00 H new ATOM 0 HD13 ILE A 17 10.393 9.481 6.123 1.00 0.00 H new ATOM 279 N ILE A 18 5.303 8.275 3.261 1.00 0.00 N ATOM 280 CA ILE A 18 3.927 7.939 3.628 1.00 0.00 C ATOM 281 C ILE A 18 3.885 6.827 4.682 1.00 0.00 C ATOM 282 O ILE A 18 4.412 5.737 4.474 1.00 0.00 O ATOM 283 CB ILE A 18 3.094 7.533 2.394 1.00 0.00 C ATOM 284 CG1 ILE A 18 2.970 8.723 1.432 1.00 0.00 C ATOM 285 CG2 ILE A 18 1.715 7.025 2.814 1.00 0.00 C ATOM 286 CD1 ILE A 18 1.977 8.497 0.309 1.00 0.00 C ATOM 0 H ILE A 18 5.781 7.572 2.697 1.00 0.00 H new ATOM 0 HA ILE A 18 3.485 8.838 4.058 1.00 0.00 H new ATOM 0 HB ILE A 18 3.605 6.720 1.878 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.672 9.606 1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.949 8.935 1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.145 6.745 1.928 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.829 6.156 3.462 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.186 7.812 3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.943 9.380 -0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.285 7.634 -0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.988 8.315 0.729 1.00 0.00 H new ATOM 298 N GLU A 19 3.236 7.104 5.807 1.00 0.00 N ATOM 299 CA GLU A 19 3.182 6.153 6.910 1.00 0.00 C ATOM 300 C GLU A 19 1.955 5.254 6.790 1.00 0.00 C ATOM 301 O GLU A 19 0.857 5.717 6.470 1.00 0.00 O ATOM 302 CB GLU A 19 3.144 6.874 8.265 1.00 0.00 C ATOM 303 CG GLU A 19 4.298 7.838 8.512 1.00 0.00 C ATOM 304 CD GLU A 19 4.136 9.158 7.786 1.00 0.00 C ATOM 305 OE1 GLU A 19 2.982 9.545 7.493 1.00 0.00 O ATOM 306 OE2 GLU A 19 5.158 9.816 7.507 1.00 0.00 O ATOM 0 H GLU A 19 2.740 7.979 5.979 1.00 0.00 H new ATOM 0 HA GLU A 19 4.085 5.545 6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.207 7.425 8.340 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.139 6.126 9.058 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.383 8.027 9.582 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.230 7.368 8.196 1.00 0.00 H new ATOM 313 N ILE A 20 2.146 3.970 7.063 1.00 0.00 N ATOM 314 CA ILE A 20 1.071 2.989 6.973 1.00 0.00 C ATOM 315 C ILE A 20 1.122 2.029 8.161 1.00 0.00 C ATOM 316 O ILE A 20 2.169 1.858 8.788 1.00 0.00 O ATOM 317 CB ILE A 20 1.146 2.175 5.660 1.00 0.00 C ATOM 318 CG1 ILE A 20 2.482 1.433 5.561 1.00 0.00 C ATOM 319 CG2 ILE A 20 0.946 3.084 4.453 1.00 0.00 C ATOM 320 CD1 ILE A 20 2.588 0.534 4.347 1.00 0.00 C ATOM 0 H ILE A 20 3.044 3.580 7.351 1.00 0.00 H new ATOM 0 HA ILE A 20 0.131 3.541 6.984 1.00 0.00 H new ATOM 0 HB ILE A 20 0.344 1.436 5.669 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.292 2.162 5.535 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.622 0.833 6.460 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.002 2.493 3.539 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.031 3.563 4.516 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.724 3.847 4.440 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.560 0.041 4.343 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.800 -0.218 4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.480 1.131 3.442 1.00 0.00 H new ATOM 332 N GLY A 21 -0.009 1.409 8.471 1.00 0.00 N ATOM 333 CA GLY A 21 -0.060 0.460 9.570 1.00 0.00 C ATOM 334 C GLY A 21 -0.020 -0.976 9.086 1.00 0.00 C ATOM 335 O GLY A 21 -0.548 -1.877 9.735 1.00 0.00 O ATOM 0 H GLY A 21 -0.894 1.545 7.982 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.779 0.639 10.242 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.971 0.622 10.147 1.00 0.00 H new ATOM 339 N VAL A 22 0.608 -1.186 7.937 1.00 0.00 N ATOM 340 CA VAL A 22 0.683 -2.509 7.330 1.00 0.00 C ATOM 341 C VAL A 22 2.137 -2.850 7.016 1.00 0.00 C ATOM 342 O VAL A 22 2.904 -1.976 6.629 1.00 0.00 O ATOM 343 CB VAL A 22 -0.146 -2.579 6.026 1.00 0.00 C ATOM 344 CG1 VAL A 22 -0.337 -4.021 5.584 1.00 0.00 C ATOM 345 CG2 VAL A 22 -1.490 -1.889 6.195 1.00 0.00 C ATOM 0 H VAL A 22 1.075 -0.453 7.404 1.00 0.00 H new ATOM 0 HA VAL A 22 0.273 -3.227 8.040 1.00 0.00 H new ATOM 0 HB VAL A 22 0.409 -2.053 5.249 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.923 -4.045 4.665 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.636 -4.479 5.406 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.861 -4.574 6.363 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.052 -1.953 5.263 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.052 -2.377 6.992 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.332 -0.842 6.451 1.00 0.00 H new ATOM 355 N LYS A 23 2.515 -4.111 7.191 1.00 0.00 N ATOM 356 CA LYS A 23 3.887 -4.541 6.921 1.00 0.00 C ATOM 357 C LYS A 23 4.076 -4.937 5.463 1.00 0.00 C ATOM 358 O LYS A 23 5.170 -4.820 4.918 1.00 0.00 O ATOM 359 CB LYS A 23 4.268 -5.723 7.810 1.00 0.00 C ATOM 360 CG LYS A 23 4.582 -5.341 9.244 1.00 0.00 C ATOM 361 CD LYS A 23 4.888 -6.571 10.083 1.00 0.00 C ATOM 362 CE LYS A 23 5.169 -6.208 11.531 1.00 0.00 C ATOM 363 NZ LYS A 23 5.424 -7.409 12.367 1.00 0.00 N ATOM 0 H LYS A 23 1.896 -4.853 7.517 1.00 0.00 H new ATOM 0 HA LYS A 23 4.534 -3.692 7.140 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.451 -6.444 7.808 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.136 -6.223 7.380 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.434 -4.662 9.264 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.736 -4.805 9.674 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.045 -7.261 10.038 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.749 -7.092 9.665 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.032 -5.544 11.577 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.321 -5.657 11.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.611 -7.116 13.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.591 -8.031 12.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.249 -7.922 11.995 1.00 0.00 H new ATOM 377 N GLU A 24 3.013 -5.421 4.843 1.00 0.00 N ATOM 378 CA GLU A 24 3.085 -5.907 3.475 1.00 0.00 C ATOM 379 C GLU A 24 2.065 -5.201 2.597 1.00 0.00 C ATOM 380 O GLU A 24 0.858 -5.329 2.801 1.00 0.00 O ATOM 381 CB GLU A 24 2.865 -7.418 3.451 1.00 0.00 C ATOM 382 CG GLU A 24 3.985 -8.194 4.125 1.00 0.00 C ATOM 383 CD GLU A 24 3.613 -9.630 4.416 1.00 0.00 C ATOM 384 OE1 GLU A 24 3.655 -10.466 3.489 1.00 0.00 O ATOM 385 OE2 GLU A 24 3.284 -9.934 5.580 1.00 0.00 O ATOM 0 H GLU A 24 2.087 -5.488 5.266 1.00 0.00 H new ATOM 0 HA GLU A 24 4.076 -5.689 3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.922 -7.650 3.945 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.773 -7.749 2.417 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.869 -8.175 3.487 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.254 -7.698 5.057 1.00 0.00 H new ATOM 392 N PHE A 25 2.564 -4.453 1.627 1.00 0.00 N ATOM 393 CA PHE A 25 1.721 -3.679 0.734 1.00 0.00 C ATOM 394 C PHE A 25 2.322 -3.644 -0.666 1.00 0.00 C ATOM 395 O PHE A 25 3.535 -3.551 -0.827 1.00 0.00 O ATOM 396 CB PHE A 25 1.551 -2.253 1.278 1.00 0.00 C ATOM 397 CG PHE A 25 0.978 -1.285 0.282 1.00 0.00 C ATOM 398 CD1 PHE A 25 -0.355 -1.355 -0.088 1.00 0.00 C ATOM 399 CD2 PHE A 25 1.780 -0.311 -0.293 1.00 0.00 C ATOM 400 CE1 PHE A 25 -0.874 -0.470 -1.012 1.00 0.00 C ATOM 401 CE2 PHE A 25 1.265 0.575 -1.216 1.00 0.00 C ATOM 402 CZ PHE A 25 -0.064 0.495 -1.577 1.00 0.00 C ATOM 0 H PHE A 25 3.562 -4.366 1.437 1.00 0.00 H new ATOM 0 HA PHE A 25 0.741 -4.153 0.676 1.00 0.00 H new ATOM 0 HB2 PHE A 25 0.903 -2.284 2.154 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.521 -1.884 1.612 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.994 -2.108 0.350 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.821 -0.245 -0.015 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.915 -0.533 -1.293 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.901 1.330 -1.655 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.470 1.186 -2.301 1.00 0.00 H new ATOM 412 N MET A 26 1.477 -3.729 -1.679 1.00 0.00 N ATOM 413 CA MET A 26 1.941 -3.648 -3.052 1.00 0.00 C ATOM 414 C MET A 26 1.184 -2.552 -3.784 1.00 0.00 C ATOM 415 O MET A 26 -0.039 -2.467 -3.684 1.00 0.00 O ATOM 416 CB MET A 26 1.765 -4.989 -3.765 1.00 0.00 C ATOM 417 CG MET A 26 2.507 -5.069 -5.088 1.00 0.00 C ATOM 418 SD MET A 26 2.526 -6.733 -5.781 1.00 0.00 S ATOM 419 CE MET A 26 3.730 -6.531 -7.092 1.00 0.00 C ATOM 0 H MET A 26 0.470 -3.854 -1.577 1.00 0.00 H new ATOM 0 HA MET A 26 3.004 -3.407 -3.050 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.115 -5.788 -3.112 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.703 -5.162 -3.941 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.042 -4.389 -5.802 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.533 -4.729 -4.945 1.00 0.00 H new ATOM 0 HE1 MET A 26 3.665 -7.375 -7.778 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.527 -5.607 -7.633 1.00 0.00 H new ATOM 0 HE3 MET A 26 4.731 -6.488 -6.663 1.00 0.00 H new ATOM 429 N CYS A 27 1.917 -1.702 -4.492 1.00 0.00 N ATOM 430 CA CYS A 27 1.314 -0.594 -5.223 1.00 0.00 C ATOM 431 C CYS A 27 0.343 -1.098 -6.283 1.00 0.00 C ATOM 432 O CYS A 27 0.719 -1.886 -7.153 1.00 0.00 O ATOM 433 CB CYS A 27 2.388 0.246 -5.910 1.00 0.00 C ATOM 434 SG CYS A 27 3.631 0.973 -4.817 1.00 0.00 S ATOM 0 H CYS A 27 2.932 -1.759 -4.576 1.00 0.00 H new ATOM 0 HA CYS A 27 0.774 0.015 -4.498 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.897 -0.378 -6.645 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.898 1.050 -6.459 1.00 0.00 H new ATOM 439 N VAL A 28 -0.895 -0.633 -6.208 1.00 0.00 N ATOM 440 CA VAL A 28 -1.901 -0.964 -7.206 1.00 0.00 C ATOM 441 C VAL A 28 -1.542 -0.325 -8.548 1.00 0.00 C ATOM 442 O VAL A 28 -1.036 0.799 -8.594 1.00 0.00 O ATOM 443 CB VAL A 28 -3.305 -0.489 -6.765 1.00 0.00 C ATOM 444 CG1 VAL A 28 -4.375 -0.955 -7.743 1.00 0.00 C ATOM 445 CG2 VAL A 28 -3.618 -0.971 -5.355 1.00 0.00 C ATOM 0 H VAL A 28 -1.228 -0.022 -5.462 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.922 -2.049 -7.312 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.305 0.601 -6.763 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.352 -0.606 -7.407 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.165 -0.549 -8.733 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.375 -2.044 -7.790 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.610 -0.626 -5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.590 -2.060 -5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.878 -0.572 -4.661 1.00 0.00 H new ATOM 455 N GLY A 29 -1.777 -1.053 -9.629 1.00 0.00 N ATOM 456 CA GLY A 29 -1.495 -0.534 -10.951 1.00 0.00 C ATOM 457 C GLY A 29 -2.318 -1.224 -12.016 1.00 0.00 C ATOM 458 O GLY A 29 -3.451 -1.641 -11.757 1.00 0.00 O ATOM 0 H GLY A 29 -2.160 -1.998 -9.614 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.699 0.537 -10.972 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.435 -0.661 -11.172 1.00 0.00 H new ATOM 462 N ALA A 30 -1.753 -1.351 -13.210 1.00 0.00 N ATOM 463 CA ALA A 30 -2.428 -2.029 -14.306 1.00 0.00 C ATOM 464 C ALA A 30 -2.371 -3.540 -14.115 1.00 0.00 C ATOM 465 O ALA A 30 -1.482 -4.055 -13.434 1.00 0.00 O ATOM 466 CB ALA A 30 -1.805 -1.636 -15.639 1.00 0.00 C ATOM 0 H ALA A 30 -0.827 -0.992 -13.443 1.00 0.00 H new ATOM 0 HA ALA A 30 -3.474 -1.722 -14.310 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.322 -2.152 -16.448 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.895 -0.559 -15.779 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.751 -1.915 -15.645 1.00 0.00 H new ATOM 472 N THR A 31 -3.314 -4.246 -14.717 1.00 0.00 N ATOM 473 CA THR A 31 -3.391 -5.688 -14.572 1.00 0.00 C ATOM 474 C THR A 31 -2.434 -6.379 -15.547 1.00 0.00 C ATOM 475 O THR A 31 -2.845 -6.882 -16.595 1.00 0.00 O ATOM 476 CB THR A 31 -4.832 -6.180 -14.811 1.00 0.00 C ATOM 477 OG1 THR A 31 -5.762 -5.269 -14.202 1.00 0.00 O ATOM 478 CG2 THR A 31 -5.038 -7.573 -14.235 1.00 0.00 C ATOM 0 H THR A 31 -4.038 -3.842 -15.312 1.00 0.00 H new ATOM 0 HA THR A 31 -3.098 -5.943 -13.554 1.00 0.00 H new ATOM 0 HB THR A 31 -5.003 -6.222 -15.887 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.677 -5.583 -14.357 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.063 -7.895 -14.418 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.349 -8.270 -14.712 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.850 -7.554 -13.162 1.00 0.00 H new ATOM 486 N GLN A 32 -1.152 -6.367 -15.211 1.00 0.00 N ATOM 487 CA GLN A 32 -0.125 -6.961 -16.057 1.00 0.00 C ATOM 488 C GLN A 32 1.090 -7.338 -15.211 1.00 0.00 C ATOM 489 O GLN A 32 1.201 -6.898 -14.066 1.00 0.00 O ATOM 490 CB GLN A 32 0.277 -5.978 -17.168 1.00 0.00 C ATOM 491 CG GLN A 32 0.998 -4.735 -16.668 1.00 0.00 C ATOM 492 CD GLN A 32 1.269 -3.737 -17.775 1.00 0.00 C ATOM 493 OE1 GLN A 32 0.468 -2.835 -18.027 1.00 0.00 O ATOM 494 NE2 GLN A 32 2.392 -3.894 -18.458 1.00 0.00 N ATOM 0 H GLN A 32 -0.796 -5.949 -14.352 1.00 0.00 H new ATOM 0 HA GLN A 32 -0.522 -7.864 -16.521 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.919 -6.495 -17.881 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.618 -5.672 -17.709 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.399 -4.258 -15.892 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.942 -5.027 -16.207 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.031 -4.653 -18.221 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.618 -3.256 -19.221 1.00 0.00 H new ATOM 503 N PRO A 33 2.002 -8.175 -15.748 1.00 0.00 N ATOM 504 CA PRO A 33 3.242 -8.542 -15.055 1.00 0.00 C ATOM 505 C PRO A 33 4.063 -7.314 -14.673 1.00 0.00 C ATOM 506 O PRO A 33 4.175 -6.360 -15.450 1.00 0.00 O ATOM 507 CB PRO A 33 3.995 -9.393 -16.082 1.00 0.00 C ATOM 508 CG PRO A 33 2.941 -9.910 -16.998 1.00 0.00 C ATOM 509 CD PRO A 33 1.889 -8.841 -17.060 1.00 0.00 C ATOM 0 HA PRO A 33 3.048 -9.066 -14.119 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.732 -8.799 -16.623 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.534 -10.208 -15.600 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.349 -10.114 -17.988 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.525 -10.846 -16.626 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.070 -8.146 -17.880 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.896 -9.263 -17.212 1.00 0.00 H new ATOM 517 N PHE A 34 4.643 -7.345 -13.484 1.00 0.00 N ATOM 518 CA PHE A 34 5.352 -6.192 -12.958 1.00 0.00 C ATOM 519 C PHE A 34 6.784 -6.150 -13.471 1.00 0.00 C ATOM 520 O PHE A 34 7.701 -6.713 -12.871 1.00 0.00 O ATOM 521 CB PHE A 34 5.315 -6.186 -11.429 1.00 0.00 C ATOM 522 CG PHE A 34 3.931 -5.982 -10.875 1.00 0.00 C ATOM 523 CD1 PHE A 34 3.080 -7.057 -10.679 1.00 0.00 C ATOM 524 CD2 PHE A 34 3.479 -4.710 -10.561 1.00 0.00 C ATOM 525 CE1 PHE A 34 1.805 -6.868 -10.178 1.00 0.00 C ATOM 526 CE2 PHE A 34 2.205 -4.514 -10.061 1.00 0.00 C ATOM 527 CZ PHE A 34 1.368 -5.594 -9.870 1.00 0.00 C ATOM 0 H PHE A 34 4.636 -8.156 -12.866 1.00 0.00 H new ATOM 0 HA PHE A 34 4.847 -5.293 -13.312 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.713 -7.130 -11.058 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.969 -5.396 -11.058 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.416 -8.055 -10.920 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.130 -3.861 -10.709 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.152 -7.715 -10.028 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.866 -3.517 -9.820 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.372 -5.444 -9.480 1.00 0.00 H new ATOM 537 N ASP A 35 6.944 -5.512 -14.617 1.00 0.00 N ATOM 538 CA ASP A 35 8.250 -5.314 -15.229 1.00 0.00 C ATOM 539 C ASP A 35 8.652 -3.848 -15.140 1.00 0.00 C ATOM 540 O ASP A 35 9.728 -3.509 -14.653 1.00 0.00 O ATOM 541 CB ASP A 35 8.205 -5.763 -16.692 1.00 0.00 C ATOM 542 CG ASP A 35 9.418 -5.326 -17.487 1.00 0.00 C ATOM 543 OD1 ASP A 35 10.495 -5.932 -17.319 1.00 0.00 O ATOM 544 OD2 ASP A 35 9.288 -4.386 -18.304 1.00 0.00 O ATOM 0 H ASP A 35 6.172 -5.115 -15.152 1.00 0.00 H new ATOM 0 HA ASP A 35 8.991 -5.910 -14.696 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.126 -6.849 -16.730 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.307 -5.361 -17.161 1.00 0.00 H new ATOM 549 N HIS A 36 7.767 -2.988 -15.609 1.00 0.00 N ATOM 550 CA HIS A 36 7.992 -1.550 -15.579 1.00 0.00 C ATOM 551 C HIS A 36 7.202 -0.857 -14.448 1.00 0.00 C ATOM 552 O HIS A 36 7.667 0.159 -13.933 1.00 0.00 O ATOM 553 CB HIS A 36 7.628 -0.930 -16.928 1.00 0.00 C ATOM 554 CG HIS A 36 8.205 0.438 -17.134 1.00 0.00 C ATOM 555 ND1 HIS A 36 7.452 1.591 -17.110 1.00 0.00 N ATOM 556 CD2 HIS A 36 9.478 0.828 -17.382 1.00 0.00 C ATOM 557 CE1 HIS A 36 8.238 2.631 -17.337 1.00 0.00 C ATOM 558 NE2 HIS A 36 9.472 2.192 -17.504 1.00 0.00 N ATOM 0 H HIS A 36 6.875 -3.262 -16.020 1.00 0.00 H new ATOM 0 HA HIS A 36 9.052 -1.394 -15.379 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.976 -1.586 -17.726 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.543 -0.874 -17.012 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.339 0.182 -17.468 1.00 0.00 H new ATOM 0 HE1 HIS A 36 7.924 3.663 -17.379 1.00 0.00 H new ATOM 0 HE2 HIS A 36 10.288 2.774 -17.693 1.00 0.00 H new ATOM 567 N PRO A 37 5.978 -1.339 -14.082 1.00 0.00 N ATOM 568 CA PRO A 37 5.223 -0.804 -12.927 1.00 0.00 C ATOM 569 C PRO A 37 5.968 -0.905 -11.584 1.00 0.00 C ATOM 570 O PRO A 37 7.184 -0.759 -11.507 1.00 0.00 O ATOM 571 CB PRO A 37 3.949 -1.667 -12.885 1.00 0.00 C ATOM 572 CG PRO A 37 4.244 -2.850 -13.738 1.00 0.00 C ATOM 573 CD PRO A 37 5.184 -2.360 -14.792 1.00 0.00 C ATOM 0 HA PRO A 37 5.043 0.263 -13.056 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.712 -1.968 -11.865 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.088 -1.115 -13.263 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.694 -3.652 -13.154 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.332 -3.251 -14.181 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.812 -3.163 -15.177 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.651 -1.936 -15.643 1.00 0.00 H new ATOM 581 N HIS A 38 5.216 -1.145 -10.516 1.00 0.00 N ATOM 582 CA HIS A 38 5.767 -1.082 -9.167 1.00 0.00 C ATOM 583 C HIS A 38 6.187 -2.463 -8.677 1.00 0.00 C ATOM 584 O HIS A 38 6.159 -3.435 -9.428 1.00 0.00 O ATOM 585 CB HIS A 38 4.746 -0.481 -8.191 1.00 0.00 C ATOM 586 CG HIS A 38 4.253 0.890 -8.564 1.00 0.00 C ATOM 587 ND1 HIS A 38 4.326 1.987 -7.709 1.00 0.00 N ATOM 588 CD2 HIS A 38 3.627 1.330 -9.687 1.00 0.00 C ATOM 589 CE1 HIS A 38 3.757 3.031 -8.319 1.00 0.00 C ATOM 590 NE2 HIS A 38 3.334 2.656 -9.502 1.00 0.00 N ATOM 0 H HIS A 38 4.225 -1.384 -10.557 1.00 0.00 H new ATOM 0 HA HIS A 38 6.648 -0.442 -9.204 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.891 -1.153 -8.121 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.196 -0.433 -7.199 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.402 0.742 -10.565 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.661 4.024 -7.904 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.862 3.256 -10.178 1.00 0.00 H new ATOM 598 N ILE A 39 6.555 -2.537 -7.407 1.00 0.00 N ATOM 599 CA ILE A 39 7.030 -3.773 -6.803 1.00 0.00 C ATOM 600 C ILE A 39 6.252 -4.041 -5.509 1.00 0.00 C ATOM 601 O ILE A 39 5.497 -3.176 -5.055 1.00 0.00 O ATOM 602 CB ILE A 39 8.552 -3.670 -6.515 1.00 0.00 C ATOM 603 CG1 ILE A 39 9.141 -5.030 -6.120 1.00 0.00 C ATOM 604 CG2 ILE A 39 8.814 -2.634 -5.428 1.00 0.00 C ATOM 605 CD1 ILE A 39 10.646 -5.020 -5.966 1.00 0.00 C ATOM 0 H ILE A 39 6.533 -1.743 -6.767 1.00 0.00 H new ATOM 0 HA ILE A 39 6.866 -4.602 -7.491 1.00 0.00 H new ATOM 0 HB ILE A 39 9.048 -3.351 -7.432 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.691 -5.352 -5.181 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.867 -5.768 -6.874 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.885 -2.572 -5.235 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.447 -1.662 -5.756 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.298 -2.927 -4.514 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.990 -6.016 -5.686 1.00 0.00 H new ATOM 0 HD12 ILE A 39 11.106 -4.729 -6.910 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.928 -4.308 -5.191 1.00 0.00 H new ATOM 617 N PHE A 40 6.410 -5.231 -4.937 1.00 0.00 N ATOM 618 CA PHE A 40 5.778 -5.563 -3.664 1.00 0.00 C ATOM 619 C PHE A 40 6.634 -5.060 -2.505 1.00 0.00 C ATOM 620 O PHE A 40 7.822 -5.378 -2.419 1.00 0.00 O ATOM 621 CB PHE A 40 5.570 -7.078 -3.551 1.00 0.00 C ATOM 622 CG PHE A 40 4.939 -7.518 -2.257 1.00 0.00 C ATOM 623 CD1 PHE A 40 3.578 -7.372 -2.047 1.00 0.00 C ATOM 624 CD2 PHE A 40 5.711 -8.080 -1.250 1.00 0.00 C ATOM 625 CE1 PHE A 40 2.997 -7.775 -0.862 1.00 0.00 C ATOM 626 CE2 PHE A 40 5.135 -8.485 -0.062 1.00 0.00 C ATOM 627 CZ PHE A 40 3.777 -8.331 0.132 1.00 0.00 C ATOM 0 H PHE A 40 6.972 -5.983 -5.336 1.00 0.00 H new ATOM 0 HA PHE A 40 4.805 -5.074 -3.620 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.944 -7.411 -4.379 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.534 -7.575 -3.660 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.963 -6.937 -2.821 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.774 -8.202 -1.397 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.934 -7.656 -0.713 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.746 -8.922 0.714 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.325 -8.645 1.061 1.00 0.00 H new ATOM 637 N ILE A 41 6.027 -4.281 -1.623 1.00 0.00 N ATOM 638 CA ILE A 41 6.729 -3.715 -0.481 1.00 0.00 C ATOM 639 C ILE A 41 6.464 -4.545 0.774 1.00 0.00 C ATOM 640 O ILE A 41 5.358 -4.531 1.317 1.00 0.00 O ATOM 641 CB ILE A 41 6.309 -2.242 -0.214 1.00 0.00 C ATOM 642 CG1 ILE A 41 6.803 -1.311 -1.328 1.00 0.00 C ATOM 643 CG2 ILE A 41 6.819 -1.760 1.137 1.00 0.00 C ATOM 644 CD1 ILE A 41 5.930 -1.313 -2.562 1.00 0.00 C ATOM 0 H ILE A 41 5.041 -4.025 -1.677 1.00 0.00 H new ATOM 0 HA ILE A 41 7.792 -3.732 -0.720 1.00 0.00 H new ATOM 0 HB ILE A 41 5.219 -2.214 -0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.862 -0.295 -0.939 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.814 -1.603 -1.610 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.510 -0.727 1.295 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.406 -2.388 1.927 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.907 -1.820 1.158 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.346 -0.630 -3.303 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.890 -2.320 -2.978 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.923 -0.990 -2.296 1.00 0.00 H new ATOM 656 N ASP A 42 7.466 -5.290 1.212 1.00 0.00 N ATOM 657 CA ASP A 42 7.379 -5.988 2.483 1.00 0.00 C ATOM 658 C ASP A 42 8.347 -5.355 3.464 1.00 0.00 C ATOM 659 O ASP A 42 9.459 -4.963 3.097 1.00 0.00 O ATOM 660 CB ASP A 42 7.674 -7.492 2.340 1.00 0.00 C ATOM 661 CG ASP A 42 9.154 -7.837 2.421 1.00 0.00 C ATOM 662 OD1 ASP A 42 9.684 -7.955 3.551 1.00 0.00 O ATOM 663 OD2 ASP A 42 9.788 -8.016 1.360 1.00 0.00 O ATOM 0 H ASP A 42 8.343 -5.426 0.710 1.00 0.00 H new ATOM 0 HA ASP A 42 6.357 -5.897 2.852 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.141 -8.033 3.121 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.281 -7.841 1.385 1.00 0.00 H new ATOM 668 N MET A 43 7.916 -5.221 4.698 1.00 0.00 N ATOM 669 CA MET A 43 8.756 -4.650 5.729 1.00 0.00 C ATOM 670 C MET A 43 9.151 -5.702 6.752 1.00 0.00 C ATOM 671 O MET A 43 9.214 -5.433 7.950 1.00 0.00 O ATOM 672 CB MET A 43 8.055 -3.464 6.389 1.00 0.00 C ATOM 673 CG MET A 43 8.246 -2.177 5.608 1.00 0.00 C ATOM 674 SD MET A 43 7.349 -0.779 6.295 1.00 0.00 S ATOM 675 CE MET A 43 5.686 -1.161 5.757 1.00 0.00 C ATOM 0 H MET A 43 6.987 -5.500 5.013 1.00 0.00 H new ATOM 0 HA MET A 43 9.673 -4.285 5.267 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.990 -3.678 6.479 1.00 0.00 H new ATOM 0 HB3 MET A 43 8.440 -3.334 7.400 1.00 0.00 H new ATOM 0 HG2 MET A 43 9.308 -1.936 5.575 1.00 0.00 H new ATOM 0 HG3 MET A 43 7.923 -2.335 4.579 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.974 -0.551 6.313 1.00 0.00 H new ATOM 0 HE2 MET A 43 5.591 -0.950 4.692 1.00 0.00 H new ATOM 0 HE3 MET A 43 5.478 -2.216 5.938 1.00 0.00 H new ATOM 685 N GLY A 44 9.431 -6.902 6.263 1.00 0.00 N ATOM 686 CA GLY A 44 9.952 -7.943 7.120 1.00 0.00 C ATOM 687 C GLY A 44 11.445 -7.783 7.310 1.00 0.00 C ATOM 688 O GLY A 44 12.020 -8.254 8.294 1.00 0.00 O ATOM 0 H GLY A 44 9.306 -7.172 5.287 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.452 -7.908 8.088 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.738 -8.919 6.685 1.00 0.00 H new ATOM 692 N SER A 45 12.065 -7.106 6.355 1.00 0.00 N ATOM 693 CA SER A 45 13.483 -6.808 6.411 1.00 0.00 C ATOM 694 C SER A 45 13.733 -5.553 7.244 1.00 0.00 C ATOM 695 O SER A 45 14.364 -5.608 8.302 1.00 0.00 O ATOM 696 CB SER A 45 14.014 -6.632 4.989 1.00 0.00 C ATOM 697 OG SER A 45 13.130 -5.835 4.214 1.00 0.00 O ATOM 0 H SER A 45 11.597 -6.749 5.522 1.00 0.00 H new ATOM 0 HA SER A 45 14.010 -7.634 6.889 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.999 -6.166 5.019 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.137 -7.608 4.519 1.00 0.00 H new ATOM 0 HG SER A 45 13.490 -5.734 3.308 1.00 0.00 H new ATOM 703 N THR A 46 13.226 -4.427 6.762 1.00 0.00 N ATOM 704 CA THR A 46 13.347 -3.164 7.468 1.00 0.00 C ATOM 705 C THR A 46 11.966 -2.600 7.766 1.00 0.00 C ATOM 706 O THR A 46 11.023 -2.842 7.018 1.00 0.00 O ATOM 707 CB THR A 46 14.157 -2.136 6.648 1.00 0.00 C ATOM 708 OG1 THR A 46 13.584 -1.979 5.341 1.00 0.00 O ATOM 709 CG2 THR A 46 15.607 -2.571 6.514 1.00 0.00 C ATOM 0 H THR A 46 12.723 -4.365 5.877 1.00 0.00 H new ATOM 0 HA THR A 46 13.877 -3.353 8.401 1.00 0.00 H new ATOM 0 HB THR A 46 14.122 -1.183 7.177 1.00 0.00 H new ATOM 0 HG1 THR A 46 13.143 -1.106 5.280 1.00 0.00 H new ATOM 0 HG21 THR A 46 16.157 -1.831 5.933 1.00 0.00 H new ATOM 0 HG22 THR A 46 16.054 -2.659 7.504 1.00 0.00 H new ATOM 0 HG23 THR A 46 15.652 -3.536 6.009 1.00 0.00 H new ATOM 717 N ASP A 47 11.855 -1.845 8.848 1.00 0.00 N ATOM 718 CA ASP A 47 10.576 -1.280 9.275 1.00 0.00 C ATOM 719 C ASP A 47 10.266 0.024 8.539 1.00 0.00 C ATOM 720 O ASP A 47 9.385 0.787 8.936 1.00 0.00 O ATOM 721 CB ASP A 47 10.567 -1.064 10.795 1.00 0.00 C ATOM 722 CG ASP A 47 11.801 -0.345 11.309 1.00 0.00 C ATOM 723 OD1 ASP A 47 12.913 -0.912 11.211 1.00 0.00 O ATOM 724 OD2 ASP A 47 11.668 0.769 11.852 1.00 0.00 O ATOM 0 H ASP A 47 12.640 -1.606 9.454 1.00 0.00 H new ATOM 0 HA ASP A 47 9.793 -1.994 9.020 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.681 -0.490 11.068 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.486 -2.031 11.291 1.00 0.00 H new ATOM 729 N GLU A 48 10.991 0.253 7.454 1.00 0.00 N ATOM 730 CA GLU A 48 10.763 1.395 6.581 1.00 0.00 C ATOM 731 C GLU A 48 11.242 1.052 5.171 1.00 0.00 C ATOM 732 O GLU A 48 12.330 0.492 4.999 1.00 0.00 O ATOM 733 CB GLU A 48 11.486 2.636 7.115 1.00 0.00 C ATOM 734 CG GLU A 48 12.975 2.437 7.356 1.00 0.00 C ATOM 735 CD GLU A 48 13.629 3.661 7.956 1.00 0.00 C ATOM 736 OE1 GLU A 48 13.639 3.779 9.196 1.00 0.00 O ATOM 737 OE2 GLU A 48 14.131 4.514 7.193 1.00 0.00 O ATOM 0 H GLU A 48 11.757 -0.350 7.153 1.00 0.00 H new ATOM 0 HA GLU A 48 9.697 1.620 6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.350 3.454 6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.016 2.942 8.050 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.122 1.586 8.021 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.464 2.192 6.413 1.00 0.00 H new ATOM 744 N LYS A 49 10.426 1.349 4.166 1.00 0.00 N ATOM 745 CA LYS A 49 10.767 0.994 2.793 1.00 0.00 C ATOM 746 C LYS A 49 10.297 2.065 1.811 1.00 0.00 C ATOM 747 O LYS A 49 9.119 2.407 1.778 1.00 0.00 O ATOM 748 CB LYS A 49 10.121 -0.345 2.431 1.00 0.00 C ATOM 749 CG LYS A 49 11.037 -1.291 1.673 1.00 0.00 C ATOM 750 CD LYS A 49 10.250 -2.448 1.079 1.00 0.00 C ATOM 751 CE LYS A 49 11.154 -3.548 0.548 1.00 0.00 C ATOM 752 NZ LYS A 49 11.729 -4.376 1.640 1.00 0.00 N ATOM 0 H LYS A 49 9.533 1.830 4.273 1.00 0.00 H new ATOM 0 HA LYS A 49 11.852 0.916 2.724 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.788 -0.835 3.346 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.232 -0.156 1.829 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.550 -0.749 0.878 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.805 -1.675 2.344 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.587 -2.861 1.839 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.618 -2.078 0.271 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.587 -4.186 -0.130 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.962 -3.103 -0.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.198 -5.210 1.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.423 -3.814 2.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.969 -4.684 2.279 1.00 0.00 H new ATOM 766 N ILE A 50 11.220 2.597 1.020 1.00 0.00 N ATOM 767 CA ILE A 50 10.867 3.560 -0.024 1.00 0.00 C ATOM 768 C ILE A 50 10.429 2.812 -1.279 1.00 0.00 C ATOM 769 O ILE A 50 10.775 1.642 -1.453 1.00 0.00 O ATOM 770 CB ILE A 50 12.049 4.506 -0.355 1.00 0.00 C ATOM 771 CG1 ILE A 50 11.548 5.760 -1.078 1.00 0.00 C ATOM 772 CG2 ILE A 50 13.095 3.791 -1.203 1.00 0.00 C ATOM 773 CD1 ILE A 50 12.639 6.766 -1.387 1.00 0.00 C ATOM 0 H ILE A 50 12.215 2.381 1.078 1.00 0.00 H new ATOM 0 HA ILE A 50 10.047 4.176 0.346 1.00 0.00 H new ATOM 0 HB ILE A 50 12.514 4.806 0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.067 5.463 -2.010 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.786 6.241 -0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.915 4.475 -1.423 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.478 2.929 -0.657 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.641 3.457 -2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 50 12.207 7.626 -1.899 1.00 0.00 H new ATOM 0 HD12 ILE A 50 13.106 7.094 -0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 50 13.390 6.303 -2.027 1.00 0.00 H new ATOM 785 N CYS A 51 9.658 3.458 -2.149 1.00 0.00 N ATOM 786 CA CYS A 51 9.248 2.788 -3.380 1.00 0.00 C ATOM 787 C CYS A 51 10.050 3.337 -4.553 1.00 0.00 C ATOM 788 O CYS A 51 9.899 4.499 -4.918 1.00 0.00 O ATOM 789 CB CYS A 51 7.741 2.958 -3.611 1.00 0.00 C ATOM 790 SG CYS A 51 7.054 2.042 -5.027 1.00 0.00 S ATOM 0 H CYS A 51 9.314 4.411 -2.033 1.00 0.00 H new ATOM 0 HA CYS A 51 9.449 1.720 -3.291 1.00 0.00 H new ATOM 0 HB2 CYS A 51 7.216 2.644 -2.709 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.530 4.018 -3.750 1.00 0.00 H new ATOM 795 N PRO A 52 10.934 2.510 -5.146 1.00 0.00 N ATOM 796 CA PRO A 52 11.771 2.914 -6.282 1.00 0.00 C ATOM 797 C PRO A 52 10.957 3.618 -7.361 1.00 0.00 C ATOM 798 O PRO A 52 11.328 4.685 -7.846 1.00 0.00 O ATOM 799 CB PRO A 52 12.348 1.589 -6.811 1.00 0.00 C ATOM 800 CG PRO A 52 11.659 0.504 -6.046 1.00 0.00 C ATOM 801 CD PRO A 52 11.197 1.121 -4.758 1.00 0.00 C ATOM 0 HA PRO A 52 12.542 3.627 -5.988 1.00 0.00 H new ATOM 0 HB2 PRO A 52 12.169 1.485 -7.881 1.00 0.00 H new ATOM 0 HB3 PRO A 52 13.427 1.546 -6.662 1.00 0.00 H new ATOM 0 HG2 PRO A 52 10.816 0.106 -6.610 1.00 0.00 H new ATOM 0 HG3 PRO A 52 12.337 -0.328 -5.857 1.00 0.00 H new ATOM 0 HD2 PRO A 52 10.303 0.632 -4.372 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.958 1.054 -3.980 1.00 0.00 H new ATOM 809 N TYR A 53 9.828 3.024 -7.707 1.00 0.00 N ATOM 810 CA TYR A 53 8.907 3.632 -8.649 1.00 0.00 C ATOM 811 C TYR A 53 7.745 4.255 -7.885 1.00 0.00 C ATOM 812 O TYR A 53 6.685 3.637 -7.757 1.00 0.00 O ATOM 813 CB TYR A 53 8.392 2.588 -9.647 1.00 0.00 C ATOM 814 CG TYR A 53 9.490 1.718 -10.215 1.00 0.00 C ATOM 815 CD1 TYR A 53 10.309 2.174 -11.239 1.00 0.00 C ATOM 816 CD2 TYR A 53 9.713 0.441 -9.714 1.00 0.00 C ATOM 817 CE1 TYR A 53 11.321 1.384 -11.745 1.00 0.00 C ATOM 818 CE2 TYR A 53 10.721 -0.355 -10.218 1.00 0.00 C ATOM 819 CZ TYR A 53 11.521 0.121 -11.232 1.00 0.00 C ATOM 820 OH TYR A 53 12.530 -0.667 -11.731 1.00 0.00 O ATOM 0 H TYR A 53 9.527 2.118 -7.348 1.00 0.00 H new ATOM 0 HA TYR A 53 9.428 4.408 -9.210 1.00 0.00 H new ATOM 0 HB2 TYR A 53 7.654 1.955 -9.154 1.00 0.00 H new ATOM 0 HB3 TYR A 53 7.880 3.097 -10.464 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.152 3.162 -11.646 1.00 0.00 H new ATOM 0 HD2 TYR A 53 9.087 0.066 -8.918 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.953 1.754 -12.539 1.00 0.00 H new ATOM 0 HE2 TYR A 53 10.881 -1.346 -9.819 1.00 0.00 H new ATOM 0 HH TYR A 53 12.537 -1.527 -11.260 1.00 0.00 H new ATOM 830 N CYS A 54 7.991 5.446 -7.331 1.00 0.00 N ATOM 831 CA CYS A 54 7.010 6.188 -6.522 1.00 0.00 C ATOM 832 C CYS A 54 7.684 7.293 -5.731 1.00 0.00 C ATOM 833 O CYS A 54 7.229 8.437 -5.748 1.00 0.00 O ATOM 834 CB CYS A 54 6.316 5.297 -5.477 1.00 0.00 C ATOM 835 SG CYS A 54 4.712 4.606 -5.948 1.00 0.00 S ATOM 0 H CYS A 54 8.884 5.929 -7.430 1.00 0.00 H new ATOM 0 HA CYS A 54 6.285 6.577 -7.237 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.985 4.472 -5.233 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.183 5.880 -4.565 1.00 0.00 H new ATOM 840 N SER A 55 8.800 6.921 -5.087 1.00 0.00 N ATOM 841 CA SER A 55 9.242 7.539 -3.844 1.00 0.00 C ATOM 842 C SER A 55 8.345 6.937 -2.766 1.00 0.00 C ATOM 843 O SER A 55 7.937 5.787 -2.911 1.00 0.00 O ATOM 844 CB SER A 55 9.148 9.071 -3.884 1.00 0.00 C ATOM 845 OG SER A 55 9.835 9.597 -5.015 1.00 0.00 O ATOM 0 H SER A 55 9.418 6.181 -5.420 1.00 0.00 H new ATOM 0 HA SER A 55 10.297 7.341 -3.653 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.101 9.374 -3.917 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.572 9.489 -2.971 1.00 0.00 H new ATOM 0 HG SER A 55 9.292 9.462 -5.820 1.00 0.00 H new ATOM 851 N THR A 56 8.079 7.644 -1.685 1.00 0.00 N ATOM 852 CA THR A 56 7.008 7.274 -0.793 1.00 0.00 C ATOM 853 C THR A 56 7.501 6.209 0.157 1.00 0.00 C ATOM 854 O THR A 56 7.280 5.013 -0.039 1.00 0.00 O ATOM 855 CB THR A 56 5.752 6.796 -1.559 1.00 0.00 C ATOM 856 OG1 THR A 56 5.373 7.774 -2.541 1.00 0.00 O ATOM 857 CG2 THR A 56 4.593 6.563 -0.609 1.00 0.00 C ATOM 0 H THR A 56 8.594 8.479 -1.406 1.00 0.00 H new ATOM 0 HA THR A 56 6.708 8.157 -0.228 1.00 0.00 H new ATOM 0 HB THR A 56 5.995 5.855 -2.052 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.438 8.671 -2.151 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.722 6.228 -1.173 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.868 5.802 0.121 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.354 7.492 -0.092 1.00 0.00 H new ATOM 865 N LEU A 57 8.246 6.659 1.147 1.00 0.00 N ATOM 866 CA LEU A 57 8.743 5.782 2.172 1.00 0.00 C ATOM 867 C LEU A 57 7.574 5.269 2.977 1.00 0.00 C ATOM 868 O LEU A 57 7.013 5.990 3.800 1.00 0.00 O ATOM 869 CB LEU A 57 9.766 6.511 3.051 1.00 0.00 C ATOM 870 CG LEU A 57 10.534 5.637 4.048 1.00 0.00 C ATOM 871 CD1 LEU A 57 11.930 6.195 4.264 1.00 0.00 C ATOM 872 CD2 LEU A 57 9.793 5.557 5.376 1.00 0.00 C ATOM 0 H LEU A 57 8.519 7.636 1.258 1.00 0.00 H new ATOM 0 HA LEU A 57 9.259 4.933 1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.487 7.007 2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.248 7.293 3.606 1.00 0.00 H new ATOM 0 HG LEU A 57 10.612 4.631 3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.467 5.566 4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.466 6.211 3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.860 7.209 4.658 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.355 4.932 6.069 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.687 6.558 5.794 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.806 5.124 5.216 1.00 0.00 H new ATOM 884 N TYR A 58 7.170 4.047 2.665 1.00 0.00 N ATOM 885 CA TYR A 58 6.107 3.385 3.383 1.00 0.00 C ATOM 886 C TYR A 58 6.611 3.056 4.772 1.00 0.00 C ATOM 887 O TYR A 58 7.378 2.113 4.969 1.00 0.00 O ATOM 888 CB TYR A 58 5.656 2.122 2.641 1.00 0.00 C ATOM 889 CG TYR A 58 5.232 2.385 1.208 1.00 0.00 C ATOM 890 CD1 TYR A 58 4.006 2.972 0.918 1.00 0.00 C ATOM 891 CD2 TYR A 58 6.067 2.060 0.148 1.00 0.00 C ATOM 892 CE1 TYR A 58 3.626 3.227 -0.389 1.00 0.00 C ATOM 893 CE2 TYR A 58 5.697 2.317 -1.159 1.00 0.00 C ATOM 894 CZ TYR A 58 4.477 2.899 -1.426 1.00 0.00 C ATOM 895 OH TYR A 58 4.109 3.166 -2.734 1.00 0.00 O ATOM 0 H TYR A 58 7.572 3.493 1.909 1.00 0.00 H new ATOM 0 HA TYR A 58 5.238 4.039 3.455 1.00 0.00 H new ATOM 0 HB2 TYR A 58 6.470 1.397 2.644 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.824 1.669 3.181 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.338 3.234 1.726 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.023 1.598 0.348 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.668 3.681 -0.596 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.363 2.062 -1.970 1.00 0.00 H new ATOM 0 HH TYR A 58 4.134 2.337 -3.257 1.00 0.00 H new ATOM 905 N ARG A 59 6.232 3.893 5.714 1.00 0.00 N ATOM 906 CA ARG A 59 6.723 3.788 7.069 1.00 0.00 C ATOM 907 C ARG A 59 5.776 2.969 7.927 1.00 0.00 C ATOM 908 O ARG A 59 4.639 3.374 8.166 1.00 0.00 O ATOM 909 CB ARG A 59 6.904 5.188 7.667 1.00 0.00 C ATOM 910 CG ARG A 59 7.289 5.177 9.135 1.00 0.00 C ATOM 911 CD ARG A 59 8.636 4.519 9.353 1.00 0.00 C ATOM 912 NE ARG A 59 8.609 3.617 10.497 1.00 0.00 N ATOM 913 CZ ARG A 59 9.654 3.366 11.274 1.00 0.00 C ATOM 914 NH1 ARG A 59 10.805 4.000 11.085 1.00 0.00 N ATOM 915 NH2 ARG A 59 9.539 2.487 12.256 1.00 0.00 N ATOM 0 H ARG A 59 5.578 4.661 5.562 1.00 0.00 H new ATOM 0 HA ARG A 59 7.687 3.279 7.049 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.671 5.718 7.103 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.976 5.748 7.548 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.318 6.199 9.512 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.528 4.647 9.708 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.921 3.966 8.458 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.396 5.285 9.510 1.00 0.00 H new ATOM 0 HE ARG A 59 7.729 3.148 10.714 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.892 4.688 10.337 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.603 3.800 11.688 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.652 2.008 12.411 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.338 2.288 12.858 1.00 0.00 H new ATOM 929 N TYR A 60 6.243 1.813 8.376 1.00 0.00 N ATOM 930 CA TYR A 60 5.480 1.011 9.313 1.00 0.00 C ATOM 931 C TYR A 60 5.553 1.644 10.691 1.00 0.00 C ATOM 932 O TYR A 60 6.613 1.672 11.324 1.00 0.00 O ATOM 933 CB TYR A 60 6.001 -0.427 9.364 1.00 0.00 C ATOM 934 CG TYR A 60 5.239 -1.313 10.327 1.00 0.00 C ATOM 935 CD1 TYR A 60 3.913 -1.652 10.089 1.00 0.00 C ATOM 936 CD2 TYR A 60 5.845 -1.804 11.478 1.00 0.00 C ATOM 937 CE1 TYR A 60 3.212 -2.456 10.968 1.00 0.00 C ATOM 938 CE2 TYR A 60 5.152 -2.609 12.361 1.00 0.00 C ATOM 939 CZ TYR A 60 3.836 -2.931 12.102 1.00 0.00 C ATOM 940 OH TYR A 60 3.145 -3.736 12.980 1.00 0.00 O ATOM 0 H TYR A 60 7.142 1.414 8.107 1.00 0.00 H new ATOM 0 HA TYR A 60 4.443 0.977 8.979 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.948 -0.860 8.365 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.053 -0.414 9.650 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.421 -1.281 9.202 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.875 -1.552 11.685 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.182 -2.711 10.768 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.638 -2.984 13.249 1.00 0.00 H new ATOM 0 HH TYR A 60 3.730 -3.985 13.726 1.00 0.00 H new ATOM 950 N ASP A 61 4.436 2.181 11.135 1.00 0.00 N ATOM 951 CA ASP A 61 4.371 2.831 12.430 1.00 0.00 C ATOM 952 C ASP A 61 3.499 2.017 13.375 1.00 0.00 C ATOM 953 O ASP A 61 2.341 1.734 13.071 1.00 0.00 O ATOM 954 CB ASP A 61 3.822 4.249 12.284 1.00 0.00 C ATOM 955 CG ASP A 61 3.837 5.010 13.590 1.00 0.00 C ATOM 956 OD1 ASP A 61 2.896 4.848 14.388 1.00 0.00 O ATOM 957 OD2 ASP A 61 4.791 5.778 13.823 1.00 0.00 O ATOM 0 H ASP A 61 3.557 2.181 10.617 1.00 0.00 H new ATOM 0 HA ASP A 61 5.376 2.893 12.846 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.413 4.790 11.545 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.801 4.203 11.905 1.00 0.00 H new ATOM 962 N PRO A 62 4.047 1.622 14.532 1.00 0.00 N ATOM 963 CA PRO A 62 3.346 0.754 15.482 1.00 0.00 C ATOM 964 C PRO A 62 2.239 1.469 16.255 1.00 0.00 C ATOM 965 O PRO A 62 1.534 0.848 17.050 1.00 0.00 O ATOM 966 CB PRO A 62 4.458 0.306 16.431 1.00 0.00 C ATOM 967 CG PRO A 62 5.453 1.412 16.397 1.00 0.00 C ATOM 968 CD PRO A 62 5.399 1.982 15.003 1.00 0.00 C ATOM 0 HA PRO A 62 2.834 -0.063 14.973 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.077 0.147 17.440 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.901 -0.635 16.105 1.00 0.00 H new ATOM 0 HG2 PRO A 62 5.214 2.174 17.139 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.452 1.044 16.629 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.548 3.062 15.005 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.173 1.555 14.365 1.00 0.00 H new ATOM 976 N SER A 63 2.088 2.768 16.024 1.00 0.00 N ATOM 977 CA SER A 63 1.053 3.538 16.692 1.00 0.00 C ATOM 978 C SER A 63 -0.113 3.790 15.737 1.00 0.00 C ATOM 979 O SER A 63 -1.174 4.262 16.148 1.00 0.00 O ATOM 980 CB SER A 63 1.624 4.859 17.217 1.00 0.00 C ATOM 981 OG SER A 63 0.704 5.520 18.073 1.00 0.00 O ATOM 0 H SER A 63 2.669 3.306 15.381 1.00 0.00 H new ATOM 0 HA SER A 63 0.683 2.967 17.544 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.551 4.667 17.757 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.873 5.508 16.378 1.00 0.00 H new ATOM 0 HG SER A 63 -0.209 5.367 17.752 1.00 0.00 H new ATOM 987 N LEU A 64 0.091 3.469 14.461 1.00 0.00 N ATOM 988 CA LEU A 64 -0.971 3.562 13.468 1.00 0.00 C ATOM 989 C LEU A 64 -1.893 2.349 13.567 1.00 0.00 C ATOM 990 O LEU A 64 -1.860 1.602 14.545 1.00 0.00 O ATOM 991 CB LEU A 64 -0.390 3.647 12.049 1.00 0.00 C ATOM 992 CG LEU A 64 0.273 4.976 11.668 1.00 0.00 C ATOM 993 CD1 LEU A 64 0.999 4.833 10.343 1.00 0.00 C ATOM 994 CD2 LEU A 64 -0.758 6.093 11.570 1.00 0.00 C ATOM 0 H LEU A 64 0.984 3.142 14.092 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.540 4.470 13.669 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.345 2.851 11.932 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.192 3.448 11.338 1.00 0.00 H new ATOM 0 HG LEU A 64 0.988 5.234 12.449 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.467 5.782 10.080 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.765 4.062 10.429 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.287 4.552 9.567 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.261 7.024 11.298 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.497 5.841 10.809 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.255 6.214 12.532 1.00 0.00 H new ATOM 1006 N SER A 65 -2.720 2.164 12.555 1.00 0.00 N ATOM 1007 CA SER A 65 -3.625 1.030 12.493 1.00 0.00 C ATOM 1008 C SER A 65 -3.945 0.727 11.036 1.00 0.00 C ATOM 1009 O SER A 65 -3.411 1.375 10.141 1.00 0.00 O ATOM 1010 CB SER A 65 -4.910 1.331 13.275 1.00 0.00 C ATOM 1011 OG SER A 65 -4.625 1.619 14.635 1.00 0.00 O ATOM 0 H SER A 65 -2.784 2.793 11.755 1.00 0.00 H new ATOM 0 HA SER A 65 -3.150 0.160 12.946 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.426 2.177 12.821 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.585 0.477 13.215 1.00 0.00 H new ATOM 0 HG SER A 65 -5.460 1.809 15.111 1.00 0.00 H new ATOM 1017 N TYR A 66 -4.819 -0.239 10.794 1.00 0.00 N ATOM 1018 CA TYR A 66 -5.219 -0.576 9.432 1.00 0.00 C ATOM 1019 C TYR A 66 -6.297 0.391 8.962 1.00 0.00 C ATOM 1020 O TYR A 66 -6.639 0.448 7.781 1.00 0.00 O ATOM 1021 CB TYR A 66 -5.719 -2.021 9.362 1.00 0.00 C ATOM 1022 CG TYR A 66 -4.677 -3.032 9.784 1.00 0.00 C ATOM 1023 CD1 TYR A 66 -3.661 -3.408 8.914 1.00 0.00 C ATOM 1024 CD2 TYR A 66 -4.697 -3.594 11.053 1.00 0.00 C ATOM 1025 CE1 TYR A 66 -2.697 -4.320 9.297 1.00 0.00 C ATOM 1026 CE2 TYR A 66 -3.734 -4.505 11.445 1.00 0.00 C ATOM 1027 CZ TYR A 66 -2.738 -4.864 10.563 1.00 0.00 C ATOM 1028 OH TYR A 66 -1.772 -5.765 10.951 1.00 0.00 O ATOM 0 H TYR A 66 -5.264 -0.802 11.518 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.355 -0.487 8.774 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.597 -2.126 9.999 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.037 -2.240 8.343 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.624 -2.981 7.923 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -5.478 -3.315 11.745 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.915 -4.605 8.608 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.762 -4.933 12.436 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.944 -6.053 11.872 1.00 0.00 H new ATOM 1038 N ASN A 67 -6.823 1.148 9.914 1.00 0.00 N ATOM 1039 CA ASN A 67 -7.816 2.175 9.634 1.00 0.00 C ATOM 1040 C ASN A 67 -7.149 3.552 9.592 1.00 0.00 C ATOM 1041 O ASN A 67 -7.761 4.550 9.214 1.00 0.00 O ATOM 1042 CB ASN A 67 -8.907 2.134 10.713 1.00 0.00 C ATOM 1043 CG ASN A 67 -10.064 3.073 10.431 1.00 0.00 C ATOM 1044 OD1 ASN A 67 -10.086 4.214 10.895 1.00 0.00 O ATOM 1045 ND2 ASN A 67 -11.036 2.592 9.675 1.00 0.00 N ATOM 0 H ASN A 67 -6.574 1.068 10.900 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.272 1.987 8.662 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.287 1.116 10.798 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.466 2.391 11.676 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.846 3.172 9.455 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.976 1.641 9.312 1.00 0.00 H new ATOM 1052 N GLN A 68 -5.875 3.587 9.960 1.00 0.00 N ATOM 1053 CA GLN A 68 -5.129 4.836 10.037 1.00 0.00 C ATOM 1054 C GLN A 68 -3.971 4.823 9.050 1.00 0.00 C ATOM 1055 O GLN A 68 -3.564 3.763 8.580 1.00 0.00 O ATOM 1056 CB GLN A 68 -4.606 5.057 11.455 1.00 0.00 C ATOM 1057 CG GLN A 68 -5.708 5.166 12.496 1.00 0.00 C ATOM 1058 CD GLN A 68 -5.170 5.295 13.904 1.00 0.00 C ATOM 1059 OE1 GLN A 68 -4.091 5.846 14.125 1.00 0.00 O ATOM 1060 NE2 GLN A 68 -5.920 4.786 14.866 1.00 0.00 N ATOM 0 H GLN A 68 -5.334 2.760 10.211 1.00 0.00 H new ATOM 0 HA GLN A 68 -5.801 5.655 9.779 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.944 4.233 11.722 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -4.006 5.967 11.475 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.332 6.030 12.269 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.348 4.286 12.435 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.808 4.338 14.638 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.611 4.841 15.837 1.00 0.00 H new ATOM 1069 N THR A 69 -3.439 5.998 8.746 1.00 0.00 N ATOM 1070 CA THR A 69 -2.374 6.118 7.767 1.00 0.00 C ATOM 1071 C THR A 69 -1.859 7.565 7.715 1.00 0.00 C ATOM 1072 O THR A 69 -1.769 8.236 8.745 1.00 0.00 O ATOM 1073 CB THR A 69 -2.864 5.639 6.368 1.00 0.00 C ATOM 1074 OG1 THR A 69 -1.806 5.705 5.397 1.00 0.00 O ATOM 1075 CG2 THR A 69 -4.062 6.452 5.885 1.00 0.00 C ATOM 0 H THR A 69 -3.729 6.881 9.165 1.00 0.00 H new ATOM 0 HA THR A 69 -1.545 5.477 8.066 1.00 0.00 H new ATOM 0 HB THR A 69 -3.175 4.600 6.478 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.940 5.690 5.855 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.377 6.090 4.906 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.884 6.345 6.593 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.782 7.503 5.810 1.00 0.00 H new ATOM 1083 N ASN A 70 -1.545 8.034 6.522 1.00 0.00 N ATOM 1084 CA ASN A 70 -0.944 9.338 6.311 1.00 0.00 C ATOM 1085 C ASN A 70 -2.010 10.343 5.865 1.00 0.00 C ATOM 1086 O ASN A 70 -2.977 9.965 5.200 1.00 0.00 O ATOM 1087 CB ASN A 70 0.163 9.176 5.260 1.00 0.00 C ATOM 1088 CG ASN A 70 0.804 10.477 4.804 1.00 0.00 C ATOM 1089 OD1 ASN A 70 0.327 11.124 3.873 1.00 0.00 O ATOM 1090 ND2 ASN A 70 1.907 10.850 5.431 1.00 0.00 N ATOM 0 H ASN A 70 -1.702 7.512 5.660 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.512 9.725 7.234 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.939 8.528 5.667 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -0.253 8.668 4.390 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.392 11.701 5.147 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.272 10.287 6.199 1.00 0.00 H new ATOM 1097 N PRO A 71 -1.863 11.619 6.286 1.00 0.00 N ATOM 1098 CA PRO A 71 -2.829 12.705 6.017 1.00 0.00 C ATOM 1099 C PRO A 71 -3.353 12.789 4.577 1.00 0.00 C ATOM 1100 O PRO A 71 -2.837 12.149 3.660 1.00 0.00 O ATOM 1101 CB PRO A 71 -2.024 13.959 6.346 1.00 0.00 C ATOM 1102 CG PRO A 71 -1.091 13.529 7.418 1.00 0.00 C ATOM 1103 CD PRO A 71 -0.732 12.102 7.105 1.00 0.00 C ATOM 0 HA PRO A 71 -3.736 12.552 6.601 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.484 14.325 5.473 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.671 14.769 6.683 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.202 14.160 7.438 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.560 13.608 8.399 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.210 12.038 6.561 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -0.616 11.511 8.014 1.00 0.00 H new ATOM 1111 N THR A 72 -4.387 13.618 4.408 1.00 0.00 N ATOM 1112 CA THR A 72 -5.063 13.820 3.126 1.00 0.00 C ATOM 1113 C THR A 72 -5.998 12.654 2.797 1.00 0.00 C ATOM 1114 O THR A 72 -7.202 12.848 2.622 1.00 0.00 O ATOM 1115 CB THR A 72 -4.066 14.056 1.968 1.00 0.00 C ATOM 1116 OG1 THR A 72 -3.233 15.185 2.270 1.00 0.00 O ATOM 1117 CG2 THR A 72 -4.797 14.304 0.655 1.00 0.00 C ATOM 0 H THR A 72 -4.782 14.173 5.167 1.00 0.00 H new ATOM 0 HA THR A 72 -5.663 14.724 3.232 1.00 0.00 H new ATOM 0 HB THR A 72 -3.454 13.160 1.859 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.352 15.061 1.859 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.070 14.467 -0.141 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.413 13.438 0.412 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.431 15.185 0.753 1.00 0.00 H new ATOM 1125 N GLY A 73 -5.453 11.449 2.737 1.00 0.00 N ATOM 1126 CA GLY A 73 -6.268 10.291 2.437 1.00 0.00 C ATOM 1127 C GLY A 73 -5.753 9.529 1.237 1.00 0.00 C ATOM 1128 O GLY A 73 -6.342 9.580 0.157 1.00 0.00 O ATOM 0 H GLY A 73 -4.464 11.252 2.890 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.291 9.630 3.303 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.294 10.609 2.251 1.00 0.00 H new ATOM 1132 N CYS A 74 -4.658 8.814 1.435 1.00 0.00 N ATOM 1133 CA CYS A 74 -4.016 8.058 0.371 1.00 0.00 C ATOM 1134 C CYS A 74 -4.609 6.651 0.270 1.00 0.00 C ATOM 1135 O CYS A 74 -3.900 5.685 0.002 1.00 0.00 O ATOM 1136 CB CYS A 74 -2.513 7.988 0.644 1.00 0.00 C ATOM 1137 SG CYS A 74 -1.732 9.610 0.829 1.00 0.00 S ATOM 0 H CYS A 74 -4.189 8.741 2.338 1.00 0.00 H new ATOM 0 HA CYS A 74 -4.190 8.560 -0.581 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.344 7.407 1.551 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -2.029 7.452 -0.172 1.00 0.00 H new ATOM 0 HG CYS A 74 -0.718 9.514 1.637 1.00 0.00 H new ATOM 1143 N LEU A 75 -5.915 6.549 0.472 1.00 0.00 N ATOM 1144 CA LEU A 75 -6.615 5.276 0.368 1.00 0.00 C ATOM 1145 C LEU A 75 -7.095 5.065 -1.059 1.00 0.00 C ATOM 1146 O LEU A 75 -7.726 5.949 -1.644 1.00 0.00 O ATOM 1147 CB LEU A 75 -7.819 5.227 1.324 1.00 0.00 C ATOM 1148 CG LEU A 75 -7.501 4.994 2.809 1.00 0.00 C ATOM 1149 CD1 LEU A 75 -6.704 3.711 2.993 1.00 0.00 C ATOM 1150 CD2 LEU A 75 -6.761 6.181 3.408 1.00 0.00 C ATOM 0 H LEU A 75 -6.515 7.339 0.711 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.919 4.484 0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.365 6.166 1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.489 4.435 0.989 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.447 4.890 3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.489 3.565 4.052 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.283 2.866 2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.768 3.782 2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.550 5.986 4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.824 6.333 2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.378 7.076 3.322 1.00 0.00 H new ATOM 1162 N TYR A 76 -6.804 3.901 -1.625 1.00 0.00 N ATOM 1163 CA TYR A 76 -7.212 3.616 -2.991 1.00 0.00 C ATOM 1164 C TYR A 76 -8.667 3.171 -3.022 1.00 0.00 C ATOM 1165 O TYR A 76 -8.985 2.013 -2.744 1.00 0.00 O ATOM 1166 CB TYR A 76 -6.314 2.546 -3.629 1.00 0.00 C ATOM 1167 CG TYR A 76 -6.633 2.291 -5.085 1.00 0.00 C ATOM 1168 CD1 TYR A 76 -6.283 3.211 -6.066 1.00 0.00 C ATOM 1169 CD2 TYR A 76 -7.296 1.134 -5.480 1.00 0.00 C ATOM 1170 CE1 TYR A 76 -6.582 2.986 -7.395 1.00 0.00 C ATOM 1171 CE2 TYR A 76 -7.601 0.903 -6.805 1.00 0.00 C ATOM 1172 CZ TYR A 76 -7.241 1.832 -7.759 1.00 0.00 C ATOM 1173 OH TYR A 76 -7.550 1.611 -9.083 1.00 0.00 O ATOM 0 H TYR A 76 -6.293 3.148 -1.165 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.107 4.532 -3.573 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.273 2.855 -3.541 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.418 1.615 -3.072 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -5.768 4.118 -5.784 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.577 0.403 -4.736 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.301 3.710 -8.145 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.119 0.000 -7.094 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.013 0.752 -9.172 1.00 0.00 H new ATOM 1183 N ASN A 77 -9.545 4.110 -3.325 1.00 0.00 N ATOM 1184 CA ASN A 77 -10.968 3.832 -3.401 1.00 0.00 C ATOM 1185 C ASN A 77 -11.551 4.525 -4.626 1.00 0.00 C ATOM 1186 O ASN A 77 -11.002 5.528 -5.088 1.00 0.00 O ATOM 1187 CB ASN A 77 -11.674 4.300 -2.115 1.00 0.00 C ATOM 1188 CG ASN A 77 -11.843 5.808 -2.035 1.00 0.00 C ATOM 1189 OD1 ASN A 77 -12.889 6.343 -2.398 1.00 0.00 O ATOM 1190 ND2 ASN A 77 -10.815 6.506 -1.571 1.00 0.00 N ATOM 0 H ASN A 77 -9.295 5.079 -3.524 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.125 2.758 -3.495 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -12.655 3.828 -2.055 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -11.103 3.959 -1.251 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.876 7.522 -1.506 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.963 6.027 -1.279 1.00 0.00 H new ATOM 1197 N PRO A 78 -12.643 3.984 -5.190 1.00 0.00 N ATOM 1198 CA PRO A 78 -13.312 4.569 -6.357 1.00 0.00 C ATOM 1199 C PRO A 78 -14.073 5.848 -6.001 1.00 0.00 C ATOM 1200 O PRO A 78 -15.297 5.920 -6.127 1.00 0.00 O ATOM 1201 CB PRO A 78 -14.285 3.466 -6.814 1.00 0.00 C ATOM 1202 CG PRO A 78 -13.913 2.249 -6.028 1.00 0.00 C ATOM 1203 CD PRO A 78 -13.312 2.756 -4.753 1.00 0.00 C ATOM 0 HA PRO A 78 -12.602 4.864 -7.129 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -15.319 3.753 -6.625 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -14.195 3.283 -7.885 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -14.787 1.629 -5.829 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.202 1.631 -6.577 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -14.071 2.954 -3.996 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.610 2.042 -4.322 1.00 0.00 H new ATOM 1211 N LYS A 79 -13.334 6.851 -5.556 1.00 0.00 N ATOM 1212 CA LYS A 79 -13.911 8.123 -5.163 1.00 0.00 C ATOM 1213 C LYS A 79 -14.179 8.983 -6.390 1.00 0.00 C ATOM 1214 O LYS A 79 -13.283 9.225 -7.203 1.00 0.00 O ATOM 1215 CB LYS A 79 -12.972 8.843 -4.196 1.00 0.00 C ATOM 1216 CG LYS A 79 -13.538 10.128 -3.622 1.00 0.00 C ATOM 1217 CD LYS A 79 -12.610 10.714 -2.574 1.00 0.00 C ATOM 1218 CE LYS A 79 -13.111 12.060 -2.086 1.00 0.00 C ATOM 1219 NZ LYS A 79 -12.212 12.648 -1.062 1.00 0.00 N ATOM 0 H LYS A 79 -12.320 6.805 -5.458 1.00 0.00 H new ATOM 0 HA LYS A 79 -14.860 7.942 -4.659 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -12.727 8.169 -3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -12.039 9.069 -4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.690 10.852 -4.423 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.515 9.933 -3.179 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.529 10.027 -1.732 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.610 10.826 -2.992 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.195 12.744 -2.931 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.111 11.945 -1.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.590 13.567 -0.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.151 12.008 -0.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.264 12.782 -1.468 1.00 0.00 H new ATOM 1233 N LEU A 80 -15.417 9.435 -6.522 1.00 0.00 N ATOM 1234 CA LEU A 80 -15.811 10.248 -7.661 1.00 0.00 C ATOM 1235 C LEU A 80 -15.331 11.684 -7.493 1.00 0.00 C ATOM 1236 O LEU A 80 -16.006 12.513 -6.879 1.00 0.00 O ATOM 1237 CB LEU A 80 -17.331 10.217 -7.846 1.00 0.00 C ATOM 1238 CG LEU A 80 -17.930 8.831 -8.092 1.00 0.00 C ATOM 1239 CD1 LEU A 80 -19.438 8.923 -8.261 1.00 0.00 C ATOM 1240 CD2 LEU A 80 -17.297 8.179 -9.314 1.00 0.00 C ATOM 0 H LEU A 80 -16.166 9.252 -5.854 1.00 0.00 H new ATOM 0 HA LEU A 80 -15.343 9.829 -8.552 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -17.798 10.644 -6.958 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -17.592 10.862 -8.685 1.00 0.00 H new ATOM 0 HG LEU A 80 -17.717 8.209 -7.223 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -19.846 7.927 -8.435 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -19.880 9.344 -7.358 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -19.670 9.564 -9.111 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -17.738 7.194 -9.470 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -17.476 8.800 -10.192 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -16.224 8.075 -9.156 1.00 0.00 H new ATOM 1252 N GLU A 81 -14.143 11.960 -8.003 1.00 0.00 N ATOM 1253 CA GLU A 81 -13.597 13.308 -7.981 1.00 0.00 C ATOM 1254 C GLU A 81 -13.437 13.824 -9.403 1.00 0.00 C ATOM 1255 O GLU A 81 -14.001 13.252 -10.341 1.00 0.00 O ATOM 1256 CB GLU A 81 -12.253 13.337 -7.247 1.00 0.00 C ATOM 1257 CG GLU A 81 -12.334 12.810 -5.825 1.00 0.00 C ATOM 1258 CD GLU A 81 -11.143 13.212 -4.984 1.00 0.00 C ATOM 1259 OE1 GLU A 81 -10.126 12.492 -4.988 1.00 0.00 O ATOM 1260 OE2 GLU A 81 -11.224 14.258 -4.307 1.00 0.00 O ATOM 0 H GLU A 81 -13.535 11.266 -8.439 1.00 0.00 H new ATOM 0 HA GLU A 81 -14.290 13.956 -7.444 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -11.529 12.745 -7.806 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -11.880 14.361 -7.227 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -13.246 13.180 -5.356 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.406 11.723 -5.849 1.00 0.00 H new ATOM 1267 N HIS A 82 -12.669 14.897 -9.563 1.00 0.00 N ATOM 1268 CA HIS A 82 -12.415 15.482 -10.880 1.00 0.00 C ATOM 1269 C HIS A 82 -11.448 14.599 -11.678 1.00 0.00 C ATOM 1270 O HIS A 82 -10.410 15.064 -12.144 1.00 0.00 O ATOM 1271 CB HIS A 82 -11.838 16.898 -10.719 1.00 0.00 C ATOM 1272 CG HIS A 82 -11.955 17.764 -11.943 1.00 0.00 C ATOM 1273 ND1 HIS A 82 -12.246 19.109 -11.881 1.00 0.00 N ATOM 1274 CD2 HIS A 82 -11.810 17.477 -13.260 1.00 0.00 C ATOM 1275 CE1 HIS A 82 -12.277 19.611 -13.101 1.00 0.00 C ATOM 1276 NE2 HIS A 82 -12.016 18.642 -13.953 1.00 0.00 N ATOM 0 H HIS A 82 -12.208 15.383 -8.794 1.00 0.00 H new ATOM 0 HA HIS A 82 -13.356 15.544 -11.427 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -12.347 17.391 -9.891 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -10.786 16.819 -10.445 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -11.576 16.512 -13.684 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -12.481 20.640 -13.357 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -11.974 18.742 -14.967 1.00 0.00 H new ATOM 1285 N HIS A 83 -11.818 13.327 -11.832 1.00 0.00 N ATOM 1286 CA HIS A 83 -11.004 12.338 -12.540 1.00 0.00 C ATOM 1287 C HIS A 83 -9.623 12.228 -11.905 1.00 0.00 C ATOM 1288 O HIS A 83 -8.685 12.925 -12.285 1.00 0.00 O ATOM 1289 CB HIS A 83 -10.909 12.669 -14.036 1.00 0.00 C ATOM 1290 CG HIS A 83 -12.204 12.468 -14.772 1.00 0.00 C ATOM 1291 ND1 HIS A 83 -12.308 11.746 -15.944 1.00 0.00 N ATOM 1292 CD2 HIS A 83 -13.459 12.888 -14.484 1.00 0.00 C ATOM 1293 CE1 HIS A 83 -13.566 11.732 -16.339 1.00 0.00 C ATOM 1294 NE2 HIS A 83 -14.285 12.416 -15.470 1.00 0.00 N ATOM 0 H HIS A 83 -12.694 12.952 -11.468 1.00 0.00 H new ATOM 0 HA HIS A 83 -11.492 11.367 -12.452 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -10.590 13.705 -14.152 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -10.140 12.045 -14.491 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -11.533 11.294 -16.429 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -13.754 13.485 -13.634 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -13.944 11.243 -17.225 1.00 0.00 H new ATOM 1303 N HIS A 84 -9.516 11.346 -10.922 1.00 0.00 N ATOM 1304 CA HIS A 84 -8.313 11.241 -10.111 1.00 0.00 C ATOM 1305 C HIS A 84 -7.225 10.441 -10.828 1.00 0.00 C ATOM 1306 O HIS A 84 -6.184 10.988 -11.185 1.00 0.00 O ATOM 1307 CB HIS A 84 -8.654 10.609 -8.751 1.00 0.00 C ATOM 1308 CG HIS A 84 -7.474 10.409 -7.848 1.00 0.00 C ATOM 1309 ND1 HIS A 84 -6.984 11.384 -7.009 1.00 0.00 N ATOM 1310 CD2 HIS A 84 -6.691 9.326 -7.656 1.00 0.00 C ATOM 1311 CE1 HIS A 84 -5.947 10.909 -6.346 1.00 0.00 C ATOM 1312 NE2 HIS A 84 -5.747 9.659 -6.720 1.00 0.00 N ATOM 0 H HIS A 84 -10.253 10.689 -10.666 1.00 0.00 H new ATOM 0 HA HIS A 84 -7.921 12.244 -9.946 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -9.382 11.241 -8.243 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.133 9.645 -8.922 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -6.791 8.371 -8.150 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -5.360 11.452 -5.619 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -5.012 9.044 -6.371 1.00 0.00 H new ATOM 1321 N HIS A 85 -7.466 9.157 -11.051 1.00 0.00 N ATOM 1322 CA HIS A 85 -6.443 8.298 -11.641 1.00 0.00 C ATOM 1323 C HIS A 85 -6.870 7.839 -13.030 1.00 0.00 C ATOM 1324 O HIS A 85 -6.317 6.893 -13.594 1.00 0.00 O ATOM 1325 CB HIS A 85 -6.163 7.097 -10.731 1.00 0.00 C ATOM 1326 CG HIS A 85 -4.784 6.527 -10.894 1.00 0.00 C ATOM 1327 ND1 HIS A 85 -3.777 7.178 -11.572 1.00 0.00 N ATOM 1328 CD2 HIS A 85 -4.243 5.373 -10.440 1.00 0.00 C ATOM 1329 CE1 HIS A 85 -2.679 6.452 -11.528 1.00 0.00 C ATOM 1330 NE2 HIS A 85 -2.931 5.350 -10.847 1.00 0.00 N ATOM 0 H HIS A 85 -8.347 8.690 -10.837 1.00 0.00 H new ATOM 0 HA HIS A 85 -5.521 8.871 -11.741 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -6.302 7.399 -9.693 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -6.896 6.317 -10.937 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -4.748 4.612 -9.865 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -1.731 6.714 -11.974 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -2.262 4.604 -10.655 1.00 0.00 H new ATOM 1339 N HIS A 86 -7.852 8.537 -13.575 1.00 0.00 N ATOM 1340 CA HIS A 86 -8.348 8.272 -14.915 1.00 0.00 C ATOM 1341 C HIS A 86 -9.012 9.530 -15.452 1.00 0.00 C ATOM 1342 O HIS A 86 -10.177 9.799 -15.159 1.00 0.00 O ATOM 1343 CB HIS A 86 -9.339 7.098 -14.908 1.00 0.00 C ATOM 1344 CG HIS A 86 -9.889 6.745 -16.261 1.00 0.00 C ATOM 1345 ND1 HIS A 86 -9.230 5.927 -17.149 1.00 0.00 N ATOM 1346 CD2 HIS A 86 -11.048 7.093 -16.866 1.00 0.00 C ATOM 1347 CE1 HIS A 86 -9.956 5.787 -18.241 1.00 0.00 C ATOM 1348 NE2 HIS A 86 -11.069 6.483 -18.097 1.00 0.00 N ATOM 0 H HIS A 86 -8.328 9.304 -13.100 1.00 0.00 H new ATOM 0 HA HIS A 86 -7.514 7.996 -15.561 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -8.843 6.222 -14.490 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -10.168 7.342 -14.244 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -11.816 7.733 -16.457 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -9.686 5.202 -19.107 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -11.819 6.556 -18.785 1.00 0.00 H new ATOM 1357 N HIS A 87 -8.258 10.314 -16.203 1.00 0.00 N ATOM 1358 CA HIS A 87 -8.754 11.582 -16.710 1.00 0.00 C ATOM 1359 C HIS A 87 -9.522 11.363 -18.008 1.00 0.00 C ATOM 1360 O HIS A 87 -8.926 11.519 -19.092 1.00 0.00 O ATOM 1361 CB HIS A 87 -7.592 12.555 -16.929 1.00 0.00 C ATOM 1362 CG HIS A 87 -8.023 13.980 -17.096 1.00 0.00 C ATOM 1363 ND1 HIS A 87 -7.942 14.912 -16.084 1.00 0.00 N ATOM 1364 CD2 HIS A 87 -8.537 14.634 -18.164 1.00 0.00 C ATOM 1365 CE1 HIS A 87 -8.389 16.073 -16.521 1.00 0.00 C ATOM 1366 NE2 HIS A 87 -8.756 15.931 -17.779 1.00 0.00 N ATOM 1367 OXT HIS A 87 -10.714 11.014 -17.937 1.00 0.00 O ATOM 0 H HIS A 87 -7.300 10.095 -16.475 1.00 0.00 H new ATOM 0 HA HIS A 87 -9.432 12.016 -15.975 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -6.909 12.488 -16.082 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -7.034 12.247 -17.813 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -8.737 14.212 -19.138 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -8.445 16.985 -15.946 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -9.141 16.667 -18.370 1.00 0.00 H new TER 1376 HIS A 87 HETATM 1377 ZN ZN A 150 4.993 2.466 -5.646 1.00 0.00 ZN