USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=23 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 15 TYR OH : rot -71:sc=0.000952 USER MOD Set 1.2: A 70 ASN : amide:sc= -2.94! C(o=-1.5!,f=-3.2!) USER MOD Set 1.3: A 74 CYS SG : rot 32:sc= 1.4 USER MOD Set 2.1: A 5 ASN : amide:sc= 0.028 X(o=-1.5,f=-1.8) USER MOD Set 2.2: A 66 TYR OH : rot 29:sc= -1.5! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= 1.03 (180deg=0.885) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 11 ASN : amide:sc= 0.00198 X(o=0.002,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -141:sc= 0.0234 (180deg=0) USER MOD Single : A 26 MET CE :methyl -147:sc= 0 (180deg=-1.14) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.468 USER MOD Single : A 32 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.0094) USER MOD Single : A 36 HIS : no HE2:sc= 1.14 K(o=1.1,f=-4.8!) USER MOD Single : A 43 MET CE :methyl -120:sc= -4.21! (180deg=-9.65!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= -0.0503 (180deg=-0.281) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.43 USER MOD Single : A 58 TYR OH : rot -163:sc= 0.371 USER MOD Single : A 60 TYR OH : rot 30:sc= -1.05 USER MOD Single : A 63 SER OG : rot 88:sc= 1.22 USER MOD Single : A 65 SER OG : rot -14:sc= 0.721 USER MOD Single : A 67 ASN : amide:sc= -0.0856 K(o=-0.086,f=-0.76) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0415 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.841 X(o=-0.84,f=-0.85) USER MOD Single : A 83 HIS : no HD1:sc= -0.358 X(o=-0.36,f=0.082) USER MOD Single : A 84 HIS : no HD1:sc= -0.0813 X(o=-0.081,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.0148 X(o=-0.015,f=-0.001) USER MOD Single : A 86 HIS : no HD1:sc= -0.0968 X(o=-0.097,f=-0.0017) USER MOD Single : A 87 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.060 -13.659 2.084 1.00 0.00 N ATOM 2 CA MET A 1 -9.283 -14.862 2.926 1.00 0.00 C ATOM 3 C MET A 1 -8.085 -15.109 3.842 1.00 0.00 C ATOM 4 O MET A 1 -8.049 -14.632 4.976 1.00 0.00 O ATOM 5 CB MET A 1 -9.523 -16.103 2.059 1.00 0.00 C ATOM 6 CG MET A 1 -10.764 -16.036 1.185 1.00 0.00 C ATOM 7 SD MET A 1 -10.950 -17.509 0.160 1.00 0.00 S ATOM 8 CE MET A 1 -12.483 -17.141 -0.690 1.00 0.00 C ATOM 0 H1 MET A 1 -9.846 -13.556 1.410 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.011 -12.815 2.690 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.167 -13.762 1.561 1.00 0.00 H new ATOM 0 HA MET A 1 -10.169 -14.678 3.534 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.653 -16.257 1.420 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.600 -16.975 2.709 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.645 -15.920 1.816 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.710 -15.154 0.546 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.732 -17.962 -1.363 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.283 -17.015 0.040 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.369 -16.222 -1.265 1.00 0.00 H new ATOM 20 N ALA A 2 -7.091 -15.829 3.330 1.00 0.00 N ATOM 21 CA ALA A 2 -5.897 -16.158 4.104 1.00 0.00 C ATOM 22 C ALA A 2 -4.766 -15.199 3.753 1.00 0.00 C ATOM 23 O ALA A 2 -3.584 -15.530 3.856 1.00 0.00 O ATOM 24 CB ALA A 2 -5.484 -17.600 3.842 1.00 0.00 C ATOM 0 H ALA A 2 -7.089 -16.197 2.379 1.00 0.00 H new ATOM 0 HA ALA A 2 -6.120 -16.053 5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.593 -17.835 4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.294 -18.269 4.133 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.269 -17.730 2.781 1.00 0.00 H new ATOM 30 N ASP A 3 -5.150 -14.008 3.331 1.00 0.00 N ATOM 31 CA ASP A 3 -4.207 -12.974 2.948 1.00 0.00 C ATOM 32 C ASP A 3 -4.377 -11.758 3.851 1.00 0.00 C ATOM 33 O ASP A 3 -5.087 -11.819 4.855 1.00 0.00 O ATOM 34 CB ASP A 3 -4.413 -12.583 1.483 1.00 0.00 C ATOM 35 CG ASP A 3 -5.810 -12.061 1.222 1.00 0.00 C ATOM 36 OD1 ASP A 3 -6.735 -12.888 1.062 1.00 0.00 O ATOM 37 OD2 ASP A 3 -5.987 -10.830 1.185 1.00 0.00 O ATOM 0 H ASP A 3 -6.128 -13.730 3.244 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.194 -13.359 3.062 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.685 -11.821 1.206 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.226 -13.449 0.848 1.00 0.00 H new ATOM 42 N TYR A 4 -3.741 -10.655 3.484 1.00 0.00 N ATOM 43 CA TYR A 4 -3.719 -9.466 4.329 1.00 0.00 C ATOM 44 C TYR A 4 -4.663 -8.392 3.800 1.00 0.00 C ATOM 45 O TYR A 4 -4.875 -7.375 4.459 1.00 0.00 O ATOM 46 CB TYR A 4 -2.296 -8.906 4.399 1.00 0.00 C ATOM 47 CG TYR A 4 -1.232 -9.968 4.594 1.00 0.00 C ATOM 48 CD1 TYR A 4 -0.962 -10.493 5.852 1.00 0.00 C ATOM 49 CD2 TYR A 4 -0.505 -10.453 3.511 1.00 0.00 C ATOM 50 CE1 TYR A 4 0.004 -11.469 6.025 1.00 0.00 C ATOM 51 CE2 TYR A 4 0.460 -11.427 3.678 1.00 0.00 C ATOM 52 CZ TYR A 4 0.710 -11.931 4.935 1.00 0.00 C ATOM 53 OH TYR A 4 1.669 -12.905 5.101 1.00 0.00 O ATOM 0 H TYR A 4 -3.232 -10.557 2.606 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.053 -9.755 5.325 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.085 -8.358 3.481 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -2.237 -8.190 5.219 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.514 -10.134 6.708 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -0.699 -10.061 2.523 1.00 0.00 H new ATOM 0 HE1 TYR A 4 0.204 -11.867 7.009 1.00 0.00 H new ATOM 0 HE2 TYR A 4 1.016 -11.792 2.827 1.00 0.00 H new ATOM 0 HH TYR A 4 2.072 -13.119 4.234 1.00 0.00 H new ATOM 63 N ASN A 5 -5.234 -8.643 2.622 1.00 0.00 N ATOM 64 CA ASN A 5 -6.055 -7.659 1.911 1.00 0.00 C ATOM 65 C ASN A 5 -5.209 -6.455 1.505 1.00 0.00 C ATOM 66 O ASN A 5 -4.926 -5.574 2.315 1.00 0.00 O ATOM 67 CB ASN A 5 -7.250 -7.207 2.756 1.00 0.00 C ATOM 68 CG ASN A 5 -8.104 -6.171 2.049 1.00 0.00 C ATOM 69 OD1 ASN A 5 -8.313 -6.236 0.835 1.00 0.00 O ATOM 70 ND2 ASN A 5 -8.579 -5.193 2.802 1.00 0.00 N ATOM 0 H ASN A 5 -5.141 -9.533 2.133 1.00 0.00 H new ATOM 0 HA ASN A 5 -6.444 -8.139 1.013 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.865 -8.073 3.002 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.889 -6.794 3.698 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.143 -4.454 2.382 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.382 -5.178 3.803 1.00 0.00 H new ATOM 77 N ILE A 6 -4.794 -6.432 0.246 1.00 0.00 N ATOM 78 CA ILE A 6 -3.935 -5.368 -0.258 1.00 0.00 C ATOM 79 C ILE A 6 -4.772 -4.166 -0.697 1.00 0.00 C ATOM 80 O ILE A 6 -5.527 -4.248 -1.669 1.00 0.00 O ATOM 81 CB ILE A 6 -3.069 -5.856 -1.443 1.00 0.00 C ATOM 82 CG1 ILE A 6 -2.335 -7.155 -1.080 1.00 0.00 C ATOM 83 CG2 ILE A 6 -2.070 -4.782 -1.854 1.00 0.00 C ATOM 84 CD1 ILE A 6 -1.395 -7.021 0.099 1.00 0.00 C ATOM 0 H ILE A 6 -5.039 -7.139 -0.447 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.272 -5.070 0.555 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.730 -6.057 -2.286 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.072 -7.927 -0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.768 -7.495 -1.947 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.470 -5.144 -2.689 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.606 -3.882 -2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.418 -4.550 -1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.915 -7.980 0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.634 -6.273 -0.125 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.958 -6.713 0.980 1.00 0.00 H new ATOM 96 N PRO A 7 -4.648 -3.037 0.018 1.00 0.00 N ATOM 97 CA PRO A 7 -5.416 -1.827 -0.273 1.00 0.00 C ATOM 98 C PRO A 7 -4.819 -1.013 -1.420 1.00 0.00 C ATOM 99 O PRO A 7 -3.816 -1.401 -2.019 1.00 0.00 O ATOM 100 CB PRO A 7 -5.329 -1.051 1.040 1.00 0.00 C ATOM 101 CG PRO A 7 -4.011 -1.438 1.618 1.00 0.00 C ATOM 102 CD PRO A 7 -3.748 -2.853 1.173 1.00 0.00 C ATOM 0 HA PRO A 7 -6.433 -2.050 -0.595 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.387 0.024 0.870 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.148 -1.312 1.710 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.224 -0.769 1.270 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.029 -1.370 2.706 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.704 -2.996 0.893 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.966 -3.568 1.966 1.00 0.00 H new ATOM 110 N HIS A 8 -5.439 0.119 -1.722 1.00 0.00 N ATOM 111 CA HIS A 8 -4.958 0.990 -2.782 1.00 0.00 C ATOM 112 C HIS A 8 -4.518 2.335 -2.222 1.00 0.00 C ATOM 113 O HIS A 8 -5.177 2.914 -1.358 1.00 0.00 O ATOM 114 CB HIS A 8 -6.023 1.181 -3.862 1.00 0.00 C ATOM 115 CG HIS A 8 -6.076 0.063 -4.860 1.00 0.00 C ATOM 116 ND1 HIS A 8 -6.795 -1.098 -4.667 1.00 0.00 N ATOM 117 CD2 HIS A 8 -5.488 -0.061 -6.072 1.00 0.00 C ATOM 118 CE1 HIS A 8 -6.644 -1.884 -5.717 1.00 0.00 C ATOM 119 NE2 HIS A 8 -5.858 -1.278 -6.584 1.00 0.00 N ATOM 0 H HIS A 8 -6.277 0.455 -1.247 1.00 0.00 H new ATOM 0 HA HIS A 8 -4.093 0.510 -3.240 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.998 1.277 -3.385 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.831 2.117 -4.387 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.846 0.665 -6.548 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -7.090 -2.860 -5.844 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.572 -1.653 -7.488 1.00 0.00 H new ATOM 128 N PHE A 9 -3.399 2.814 -2.737 1.00 0.00 N ATOM 129 CA PHE A 9 -2.758 4.028 -2.252 1.00 0.00 C ATOM 130 C PHE A 9 -2.771 5.112 -3.324 1.00 0.00 C ATOM 131 O PHE A 9 -3.367 4.939 -4.387 1.00 0.00 O ATOM 132 CB PHE A 9 -1.324 3.741 -1.803 1.00 0.00 C ATOM 133 CG PHE A 9 -1.243 2.794 -0.644 1.00 0.00 C ATOM 134 CD1 PHE A 9 -1.619 3.203 0.625 1.00 0.00 C ATOM 135 CD2 PHE A 9 -0.796 1.494 -0.821 1.00 0.00 C ATOM 136 CE1 PHE A 9 -1.552 2.334 1.696 1.00 0.00 C ATOM 137 CE2 PHE A 9 -0.726 0.619 0.247 1.00 0.00 C ATOM 138 CZ PHE A 9 -1.105 1.040 1.507 1.00 0.00 C ATOM 0 H PHE A 9 -2.904 2.369 -3.510 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.324 4.387 -1.392 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.764 3.326 -2.642 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.841 4.680 -1.531 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.969 4.213 0.778 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.499 1.161 -1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.849 2.665 2.680 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.376 -0.392 0.097 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.052 0.359 2.343 1.00 0.00 H new ATOM 148 N GLN A 10 -2.103 6.217 -3.035 1.00 0.00 N ATOM 149 CA GLN A 10 -2.109 7.382 -3.908 1.00 0.00 C ATOM 150 C GLN A 10 -0.718 7.576 -4.502 1.00 0.00 C ATOM 151 O GLN A 10 0.236 6.931 -4.069 1.00 0.00 O ATOM 152 CB GLN A 10 -2.518 8.624 -3.108 1.00 0.00 C ATOM 153 CG GLN A 10 -3.965 8.604 -2.642 1.00 0.00 C ATOM 154 CD GLN A 10 -4.935 8.961 -3.752 1.00 0.00 C ATOM 155 OE1 GLN A 10 -5.388 8.103 -4.505 1.00 0.00 O ATOM 156 NE2 GLN A 10 -5.271 10.237 -3.845 1.00 0.00 N ATOM 0 H GLN A 10 -1.542 6.333 -2.191 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.825 7.231 -4.715 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -1.867 8.715 -2.238 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.356 9.510 -3.722 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.206 7.613 -2.257 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.088 9.305 -1.817 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.871 10.918 -3.199 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.930 10.540 -4.562 1.00 0.00 H new ATOM 165 N ASN A 11 -0.610 8.454 -5.494 1.00 0.00 N ATOM 166 CA ASN A 11 0.615 8.567 -6.282 1.00 0.00 C ATOM 167 C ASN A 11 1.755 9.215 -5.510 1.00 0.00 C ATOM 168 O ASN A 11 1.547 10.109 -4.684 1.00 0.00 O ATOM 169 CB ASN A 11 0.366 9.338 -7.581 1.00 0.00 C ATOM 170 CG ASN A 11 -0.339 8.500 -8.629 1.00 0.00 C ATOM 171 OD1 ASN A 11 -1.566 8.519 -8.744 1.00 0.00 O ATOM 172 ND2 ASN A 11 0.434 7.746 -9.397 1.00 0.00 N ATOM 0 H ASN A 11 -1.352 9.096 -5.772 1.00 0.00 H new ATOM 0 HA ASN A 11 0.917 7.547 -6.519 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.233 10.223 -7.365 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.318 9.687 -7.980 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.017 7.153 -10.115 1.00 0.00 H new ATOM 0 HD22 ASN A 11 1.446 7.758 -9.270 1.00 0.00 H new ATOM 179 N ASP A 12 2.962 8.769 -5.828 1.00 0.00 N ATOM 180 CA ASP A 12 4.182 9.229 -5.172 1.00 0.00 C ATOM 181 C ASP A 12 4.538 10.641 -5.608 1.00 0.00 C ATOM 182 O ASP A 12 5.307 11.338 -4.943 1.00 0.00 O ATOM 183 CB ASP A 12 5.329 8.278 -5.510 1.00 0.00 C ATOM 184 CG ASP A 12 5.558 8.154 -7.006 1.00 0.00 C ATOM 185 OD1 ASP A 12 4.678 7.593 -7.698 1.00 0.00 O ATOM 186 OD2 ASP A 12 6.608 8.612 -7.492 1.00 0.00 O ATOM 0 H ASP A 12 3.126 8.072 -6.554 1.00 0.00 H new ATOM 0 HA ASP A 12 4.014 9.239 -4.095 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.243 8.632 -5.034 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.115 7.293 -5.095 1.00 0.00 H new ATOM 191 N LEU A 13 3.964 11.056 -6.728 1.00 0.00 N ATOM 192 CA LEU A 13 4.186 12.393 -7.256 1.00 0.00 C ATOM 193 C LEU A 13 3.684 13.440 -6.272 1.00 0.00 C ATOM 194 O LEU A 13 4.220 14.546 -6.189 1.00 0.00 O ATOM 195 CB LEU A 13 3.485 12.572 -8.607 1.00 0.00 C ATOM 196 CG LEU A 13 3.934 11.627 -9.728 1.00 0.00 C ATOM 197 CD1 LEU A 13 3.275 10.261 -9.597 1.00 0.00 C ATOM 198 CD2 LEU A 13 3.631 12.236 -11.086 1.00 0.00 C ATOM 0 H LEU A 13 3.337 10.481 -7.291 1.00 0.00 H new ATOM 0 HA LEU A 13 5.258 12.524 -7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.413 12.443 -8.458 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.639 13.598 -8.941 1.00 0.00 H new ATOM 0 HG LEU A 13 5.011 11.487 -9.638 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.614 9.614 -10.406 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.546 9.816 -8.640 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.192 10.373 -9.651 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.955 11.553 -11.871 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.559 12.409 -11.176 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.161 13.183 -11.187 1.00 0.00 H new ATOM 210 N GLY A 14 2.650 13.085 -5.522 1.00 0.00 N ATOM 211 CA GLY A 14 2.103 13.995 -4.539 1.00 0.00 C ATOM 212 C GLY A 14 2.534 13.635 -3.135 1.00 0.00 C ATOM 213 O GLY A 14 2.772 14.513 -2.305 1.00 0.00 O ATOM 0 H GLY A 14 2.180 12.181 -5.578 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.423 15.011 -4.768 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.015 13.983 -4.599 1.00 0.00 H new ATOM 217 N TYR A 15 2.640 12.342 -2.869 1.00 0.00 N ATOM 218 CA TYR A 15 3.026 11.863 -1.554 1.00 0.00 C ATOM 219 C TYR A 15 4.306 11.042 -1.652 1.00 0.00 C ATOM 220 O TYR A 15 4.287 9.900 -2.105 1.00 0.00 O ATOM 221 CB TYR A 15 1.902 11.022 -0.947 1.00 0.00 C ATOM 222 CG TYR A 15 0.560 11.720 -0.937 1.00 0.00 C ATOM 223 CD1 TYR A 15 0.247 12.653 0.042 1.00 0.00 C ATOM 224 CD2 TYR A 15 -0.393 11.449 -1.913 1.00 0.00 C ATOM 225 CE1 TYR A 15 -0.974 13.298 0.048 1.00 0.00 C ATOM 226 CE2 TYR A 15 -1.617 12.089 -1.912 1.00 0.00 C ATOM 227 CZ TYR A 15 -1.902 13.011 -0.930 1.00 0.00 C ATOM 228 OH TYR A 15 -3.118 13.654 -0.928 1.00 0.00 O ATOM 0 H TYR A 15 2.463 11.604 -3.551 1.00 0.00 H new ATOM 0 HA TYR A 15 3.208 12.721 -0.906 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.814 10.091 -1.507 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.171 10.755 0.075 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.970 12.878 0.812 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.172 10.726 -2.684 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.201 14.024 0.815 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -2.346 11.867 -2.677 1.00 0.00 H new ATOM 0 HH TYR A 15 -3.657 13.331 -0.176 1.00 0.00 H new ATOM 238 N LYS A 16 5.414 11.633 -1.227 1.00 0.00 N ATOM 239 CA LYS A 16 6.718 10.994 -1.360 1.00 0.00 C ATOM 240 C LYS A 16 7.079 10.199 -0.110 1.00 0.00 C ATOM 241 O LYS A 16 8.123 9.548 -0.053 1.00 0.00 O ATOM 242 CB LYS A 16 7.793 12.040 -1.643 1.00 0.00 C ATOM 243 CG LYS A 16 7.508 12.874 -2.880 1.00 0.00 C ATOM 244 CD LYS A 16 8.714 13.701 -3.288 1.00 0.00 C ATOM 245 CE LYS A 16 9.887 12.814 -3.673 1.00 0.00 C ATOM 246 NZ LYS A 16 11.035 13.605 -4.180 1.00 0.00 N ATOM 0 H LYS A 16 5.437 12.553 -0.787 1.00 0.00 H new ATOM 0 HA LYS A 16 6.664 10.299 -2.198 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.883 12.701 -0.781 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.754 11.540 -1.764 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.220 12.219 -3.702 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.662 13.534 -2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.450 14.343 -4.128 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.004 14.355 -2.466 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.202 12.232 -2.807 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.570 12.104 -4.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.814 12.964 -4.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.742 14.141 -5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.354 14.265 -3.443 1.00 0.00 H new ATOM 260 N ILE A 17 6.218 10.265 0.893 1.00 0.00 N ATOM 261 CA ILE A 17 6.383 9.476 2.103 1.00 0.00 C ATOM 262 C ILE A 17 5.028 8.961 2.556 1.00 0.00 C ATOM 263 O ILE A 17 4.175 9.741 2.982 1.00 0.00 O ATOM 264 CB ILE A 17 7.014 10.296 3.256 1.00 0.00 C ATOM 265 CG1 ILE A 17 8.407 10.802 2.865 1.00 0.00 C ATOM 266 CG2 ILE A 17 7.089 9.456 4.527 1.00 0.00 C ATOM 267 CD1 ILE A 17 9.069 11.647 3.930 1.00 0.00 C ATOM 0 H ILE A 17 5.391 10.862 0.892 1.00 0.00 H new ATOM 0 HA ILE A 17 7.056 8.652 1.866 1.00 0.00 H new ATOM 0 HB ILE A 17 6.379 11.161 3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.045 9.947 2.644 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.327 11.386 1.948 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.535 10.046 5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.085 9.148 4.819 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.701 8.573 4.344 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.051 11.968 3.582 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.453 12.522 4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.182 11.061 4.842 1.00 0.00 H new ATOM 279 N ILE A 18 4.819 7.658 2.444 1.00 0.00 N ATOM 280 CA ILE A 18 3.570 7.065 2.921 1.00 0.00 C ATOM 281 C ILE A 18 3.785 6.269 4.203 1.00 0.00 C ATOM 282 O ILE A 18 4.603 5.362 4.256 1.00 0.00 O ATOM 283 CB ILE A 18 2.909 6.148 1.870 1.00 0.00 C ATOM 284 CG1 ILE A 18 2.615 6.919 0.580 1.00 0.00 C ATOM 285 CG2 ILE A 18 1.625 5.548 2.434 1.00 0.00 C ATOM 286 CD1 ILE A 18 1.626 8.053 0.755 1.00 0.00 C ATOM 0 H ILE A 18 5.481 6.998 2.036 1.00 0.00 H new ATOM 0 HA ILE A 18 2.902 7.903 3.117 1.00 0.00 H new ATOM 0 HB ILE A 18 3.602 5.342 1.632 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.549 7.322 0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.229 6.225 -0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.166 4.902 1.685 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.857 4.963 3.324 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.934 6.349 2.696 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.470 8.551 -0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.677 7.656 1.117 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.018 8.770 1.477 1.00 0.00 H new ATOM 298 N GLU A 19 3.039 6.610 5.237 1.00 0.00 N ATOM 299 CA GLU A 19 3.089 5.866 6.485 1.00 0.00 C ATOM 300 C GLU A 19 1.903 4.912 6.566 1.00 0.00 C ATOM 301 O GLU A 19 0.786 5.285 6.219 1.00 0.00 O ATOM 302 CB GLU A 19 3.084 6.821 7.678 1.00 0.00 C ATOM 303 CG GLU A 19 4.185 7.862 7.612 1.00 0.00 C ATOM 304 CD GLU A 19 4.257 8.734 8.848 1.00 0.00 C ATOM 305 OE1 GLU A 19 3.264 8.807 9.598 1.00 0.00 O ATOM 306 OE2 GLU A 19 5.314 9.358 9.067 1.00 0.00 O ATOM 0 H GLU A 19 2.391 7.397 5.239 1.00 0.00 H new ATOM 0 HA GLU A 19 4.013 5.288 6.513 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.119 7.325 7.728 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.191 6.245 8.597 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.143 7.360 7.473 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.027 8.494 6.738 1.00 0.00 H new ATOM 313 N ILE A 20 2.154 3.681 6.996 1.00 0.00 N ATOM 314 CA ILE A 20 1.105 2.668 7.118 1.00 0.00 C ATOM 315 C ILE A 20 1.428 1.690 8.238 1.00 0.00 C ATOM 316 O ILE A 20 2.588 1.541 8.623 1.00 0.00 O ATOM 317 CB ILE A 20 0.910 1.860 5.810 1.00 0.00 C ATOM 318 CG1 ILE A 20 2.264 1.405 5.249 1.00 0.00 C ATOM 319 CG2 ILE A 20 0.132 2.665 4.780 1.00 0.00 C ATOM 320 CD1 ILE A 20 2.149 0.557 4.001 1.00 0.00 C ATOM 0 H ILE A 20 3.082 3.356 7.269 1.00 0.00 H new ATOM 0 HA ILE A 20 0.184 3.209 7.337 1.00 0.00 H new ATOM 0 HB ILE A 20 0.324 0.971 6.044 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.869 2.284 5.026 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.794 0.839 6.015 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.010 2.074 3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.849 2.919 5.182 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.676 3.580 4.546 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.145 0.272 3.661 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.571 -0.340 4.223 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.648 1.127 3.219 1.00 0.00 H new ATOM 332 N GLY A 21 0.404 1.024 8.755 1.00 0.00 N ATOM 333 CA GLY A 21 0.609 0.028 9.788 1.00 0.00 C ATOM 334 C GLY A 21 0.455 -1.382 9.257 1.00 0.00 C ATOM 335 O GLY A 21 -0.040 -2.269 9.955 1.00 0.00 O ATOM 0 H GLY A 21 -0.568 1.157 8.476 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.605 0.148 10.214 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.105 0.191 10.595 1.00 0.00 H new ATOM 339 N VAL A 22 0.867 -1.587 8.015 1.00 0.00 N ATOM 340 CA VAL A 22 0.796 -2.898 7.385 1.00 0.00 C ATOM 341 C VAL A 22 2.189 -3.315 6.924 1.00 0.00 C ATOM 342 O VAL A 22 3.003 -2.463 6.568 1.00 0.00 O ATOM 343 CB VAL A 22 -0.168 -2.895 6.174 1.00 0.00 C ATOM 344 CG1 VAL A 22 -0.397 -4.306 5.654 1.00 0.00 C ATOM 345 CG2 VAL A 22 -1.491 -2.244 6.536 1.00 0.00 C ATOM 0 H VAL A 22 1.257 -0.857 7.419 1.00 0.00 H new ATOM 0 HA VAL A 22 0.414 -3.607 8.120 1.00 0.00 H new ATOM 0 HB VAL A 22 0.298 -2.310 5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.078 -4.274 4.803 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.554 -4.737 5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.831 -4.919 6.444 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.151 -2.254 5.669 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.957 -2.796 7.353 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.317 -1.214 6.847 1.00 0.00 H new ATOM 355 N LYS A 23 2.469 -4.615 6.939 1.00 0.00 N ATOM 356 CA LYS A 23 3.780 -5.114 6.560 1.00 0.00 C ATOM 357 C LYS A 23 3.819 -5.446 5.075 1.00 0.00 C ATOM 358 O LYS A 23 4.814 -5.197 4.403 1.00 0.00 O ATOM 359 CB LYS A 23 4.133 -6.360 7.375 1.00 0.00 C ATOM 360 CG LYS A 23 4.335 -6.099 8.858 1.00 0.00 C ATOM 361 CD LYS A 23 4.416 -7.401 9.637 1.00 0.00 C ATOM 362 CE LYS A 23 4.721 -7.167 11.111 1.00 0.00 C ATOM 363 NZ LYS A 23 6.154 -6.838 11.338 1.00 0.00 N ATOM 0 H LYS A 23 1.803 -5.339 7.210 1.00 0.00 H new ATOM 0 HA LYS A 23 4.512 -4.333 6.766 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.340 -7.097 7.252 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.043 -6.801 6.968 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.249 -5.525 9.008 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.512 -5.494 9.239 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.473 -7.939 9.543 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.189 -8.035 9.203 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.099 -6.354 11.485 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.459 -8.058 11.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.483 -7.303 12.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.719 -7.173 10.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.263 -5.808 11.433 1.00 0.00 H new ATOM 377 N GLU A 24 2.731 -6.013 4.573 1.00 0.00 N ATOM 378 CA GLU A 24 2.661 -6.445 3.185 1.00 0.00 C ATOM 379 C GLU A 24 1.681 -5.585 2.395 1.00 0.00 C ATOM 380 O GLU A 24 0.528 -5.415 2.791 1.00 0.00 O ATOM 381 CB GLU A 24 2.236 -7.913 3.096 1.00 0.00 C ATOM 382 CG GLU A 24 3.122 -8.873 3.882 1.00 0.00 C ATOM 383 CD GLU A 24 2.845 -8.863 5.373 1.00 0.00 C ATOM 384 OE1 GLU A 24 1.725 -8.482 5.772 1.00 0.00 O ATOM 385 OE2 GLU A 24 3.746 -9.245 6.152 1.00 0.00 O ATOM 0 H GLU A 24 1.881 -6.185 5.110 1.00 0.00 H new ATOM 0 HA GLU A 24 3.656 -6.333 2.755 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.212 -8.005 3.457 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.233 -8.215 2.049 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.979 -9.884 3.500 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.167 -8.613 3.712 1.00 0.00 H new ATOM 392 N PHE A 25 2.143 -5.053 1.272 1.00 0.00 N ATOM 393 CA PHE A 25 1.315 -4.212 0.415 1.00 0.00 C ATOM 394 C PHE A 25 1.904 -4.161 -0.991 1.00 0.00 C ATOM 395 O PHE A 25 2.916 -4.806 -1.271 1.00 0.00 O ATOM 396 CB PHE A 25 1.228 -2.794 0.990 1.00 0.00 C ATOM 397 CG PHE A 25 2.566 -2.120 1.114 1.00 0.00 C ATOM 398 CD1 PHE A 25 3.345 -2.301 2.244 1.00 0.00 C ATOM 399 CD2 PHE A 25 3.048 -1.314 0.095 1.00 0.00 C ATOM 400 CE1 PHE A 25 4.578 -1.694 2.353 1.00 0.00 C ATOM 401 CE2 PHE A 25 4.280 -0.703 0.200 1.00 0.00 C ATOM 402 CZ PHE A 25 5.047 -0.894 1.330 1.00 0.00 C ATOM 0 H PHE A 25 3.094 -5.190 0.930 1.00 0.00 H new ATOM 0 HA PHE A 25 0.313 -4.639 0.369 1.00 0.00 H new ATOM 0 HB2 PHE A 25 0.582 -2.190 0.353 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.757 -2.836 1.972 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.983 -2.924 3.048 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.451 -1.162 -0.792 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.177 -1.844 3.239 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.643 -0.076 -0.601 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.013 -0.419 1.415 1.00 0.00 H new ATOM 412 N MET A 26 1.281 -3.389 -1.872 1.00 0.00 N ATOM 413 CA MET A 26 1.823 -3.183 -3.203 1.00 0.00 C ATOM 414 C MET A 26 1.801 -1.706 -3.560 1.00 0.00 C ATOM 415 O MET A 26 0.812 -1.015 -3.325 1.00 0.00 O ATOM 416 CB MET A 26 1.059 -3.994 -4.252 1.00 0.00 C ATOM 417 CG MET A 26 1.701 -3.935 -5.628 1.00 0.00 C ATOM 418 SD MET A 26 0.943 -5.058 -6.817 1.00 0.00 S ATOM 419 CE MET A 26 2.057 -4.865 -8.208 1.00 0.00 C ATOM 0 H MET A 26 0.405 -2.899 -1.688 1.00 0.00 H new ATOM 0 HA MET A 26 2.856 -3.532 -3.199 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.000 -5.033 -3.928 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.036 -3.622 -4.317 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.635 -2.916 -6.009 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.761 -4.174 -5.537 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.499 -4.970 -9.138 1.00 0.00 H new ATOM 0 HE2 MET A 26 2.518 -3.878 -8.171 1.00 0.00 H new ATOM 0 HE3 MET A 26 2.833 -5.630 -8.162 1.00 0.00 H new ATOM 429 N CYS A 27 2.904 -1.232 -4.116 1.00 0.00 N ATOM 430 CA CYS A 27 3.034 0.159 -4.508 1.00 0.00 C ATOM 431 C CYS A 27 2.227 0.445 -5.772 1.00 0.00 C ATOM 432 O CYS A 27 2.285 -0.315 -6.741 1.00 0.00 O ATOM 433 CB CYS A 27 4.509 0.490 -4.734 1.00 0.00 C ATOM 434 SG CYS A 27 4.818 2.137 -5.416 1.00 0.00 S ATOM 0 H CYS A 27 3.730 -1.799 -4.307 1.00 0.00 H new ATOM 0 HA CYS A 27 2.641 0.787 -3.709 1.00 0.00 H new ATOM 0 HB2 CYS A 27 5.037 0.400 -3.785 1.00 0.00 H new ATOM 0 HB3 CYS A 27 4.935 -0.253 -5.408 1.00 0.00 H new ATOM 439 N VAL A 28 1.485 1.543 -5.752 1.00 0.00 N ATOM 440 CA VAL A 28 0.671 1.952 -6.892 1.00 0.00 C ATOM 441 C VAL A 28 1.555 2.566 -7.984 1.00 0.00 C ATOM 442 O VAL A 28 2.682 2.992 -7.713 1.00 0.00 O ATOM 443 CB VAL A 28 -0.415 2.964 -6.445 1.00 0.00 C ATOM 444 CG1 VAL A 28 -1.375 3.310 -7.575 1.00 0.00 C ATOM 445 CG2 VAL A 28 -1.185 2.416 -5.256 1.00 0.00 C ATOM 0 H VAL A 28 1.429 2.173 -4.952 1.00 0.00 H new ATOM 0 HA VAL A 28 0.176 1.070 -7.300 1.00 0.00 H new ATOM 0 HB VAL A 28 0.095 3.883 -6.156 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.118 4.022 -7.216 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.819 3.752 -8.402 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.876 2.404 -7.917 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.945 3.136 -4.951 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.665 1.478 -5.534 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.499 2.241 -4.428 1.00 0.00 H new ATOM 455 N GLY A 29 1.056 2.581 -9.215 1.00 0.00 N ATOM 456 CA GLY A 29 1.805 3.150 -10.316 1.00 0.00 C ATOM 457 C GLY A 29 0.957 4.087 -11.153 1.00 0.00 C ATOM 458 O GLY A 29 0.134 4.835 -10.617 1.00 0.00 O ATOM 0 H GLY A 29 0.142 2.207 -9.469 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.667 3.691 -9.927 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.190 2.348 -10.946 1.00 0.00 H new ATOM 462 N ALA A 30 1.150 4.042 -12.463 1.00 0.00 N ATOM 463 CA ALA A 30 0.396 4.891 -13.373 1.00 0.00 C ATOM 464 C ALA A 30 0.096 4.173 -14.686 1.00 0.00 C ATOM 465 O ALA A 30 -1.024 3.716 -14.905 1.00 0.00 O ATOM 466 CB ALA A 30 1.141 6.194 -13.627 1.00 0.00 C ATOM 0 H ALA A 30 1.823 3.426 -12.920 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.558 5.124 -12.900 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.563 6.817 -14.310 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.281 6.723 -12.684 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.113 5.977 -14.069 1.00 0.00 H new ATOM 472 N THR A 31 1.098 4.060 -15.549 1.00 0.00 N ATOM 473 CA THR A 31 0.906 3.446 -16.855 1.00 0.00 C ATOM 474 C THR A 31 1.045 1.928 -16.778 1.00 0.00 C ATOM 475 O THR A 31 0.063 1.217 -16.548 1.00 0.00 O ATOM 476 CB THR A 31 1.895 4.014 -17.895 1.00 0.00 C ATOM 477 OG1 THR A 31 3.238 3.960 -17.381 1.00 0.00 O ATOM 478 CG2 THR A 31 1.540 5.448 -18.255 1.00 0.00 C ATOM 0 H THR A 31 2.048 4.384 -15.368 1.00 0.00 H new ATOM 0 HA THR A 31 -0.107 3.686 -17.176 1.00 0.00 H new ATOM 0 HB THR A 31 1.828 3.404 -18.796 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.858 4.321 -18.048 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.252 5.826 -18.989 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.534 5.480 -18.675 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.579 6.068 -17.360 1.00 0.00 H new ATOM 486 N GLN A 32 2.267 1.436 -16.942 1.00 0.00 N ATOM 487 CA GLN A 32 2.526 0.003 -16.911 1.00 0.00 C ATOM 488 C GLN A 32 3.999 -0.297 -16.619 1.00 0.00 C ATOM 489 O GLN A 32 4.781 -0.583 -17.524 1.00 0.00 O ATOM 490 CB GLN A 32 2.092 -0.657 -18.229 1.00 0.00 C ATOM 491 CG GLN A 32 2.657 0.005 -19.479 1.00 0.00 C ATOM 492 CD GLN A 32 2.244 -0.702 -20.753 1.00 0.00 C ATOM 493 OE1 GLN A 32 2.110 -0.083 -21.808 1.00 0.00 O ATOM 494 NE2 GLN A 32 2.041 -2.006 -20.667 1.00 0.00 N ATOM 0 H GLN A 32 3.095 2.010 -17.098 1.00 0.00 H new ATOM 0 HA GLN A 32 1.934 -0.420 -16.099 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.399 -1.703 -18.216 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.004 -0.645 -18.286 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.322 1.042 -19.519 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.745 0.024 -19.415 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.162 -2.483 -19.774 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.763 -2.534 -21.494 1.00 0.00 H new ATOM 503 N PRO A 33 4.406 -0.200 -15.346 1.00 0.00 N ATOM 504 CA PRO A 33 5.756 -0.577 -14.927 1.00 0.00 C ATOM 505 C PRO A 33 5.953 -2.087 -15.016 1.00 0.00 C ATOM 506 O PRO A 33 6.866 -2.571 -15.686 1.00 0.00 O ATOM 507 CB PRO A 33 5.838 -0.101 -13.469 1.00 0.00 C ATOM 508 CG PRO A 33 4.666 0.810 -13.285 1.00 0.00 C ATOM 509 CD PRO A 33 3.609 0.303 -14.221 1.00 0.00 C ATOM 0 HA PRO A 33 6.528 -0.136 -15.558 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.795 -0.942 -12.777 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.776 0.421 -13.278 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.316 0.794 -12.253 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.932 1.842 -13.516 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.005 -0.483 -13.766 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.924 1.093 -14.528 1.00 0.00 H new ATOM 517 N PHE A 34 5.082 -2.823 -14.334 1.00 0.00 N ATOM 518 CA PHE A 34 5.069 -4.277 -14.420 1.00 0.00 C ATOM 519 C PHE A 34 3.698 -4.759 -14.890 1.00 0.00 C ATOM 520 O PHE A 34 3.521 -5.929 -15.227 1.00 0.00 O ATOM 521 CB PHE A 34 5.420 -4.900 -13.064 1.00 0.00 C ATOM 522 CG PHE A 34 6.820 -4.602 -12.602 1.00 0.00 C ATOM 523 CD1 PHE A 34 7.870 -5.440 -12.945 1.00 0.00 C ATOM 524 CD2 PHE A 34 7.087 -3.482 -11.830 1.00 0.00 C ATOM 525 CE1 PHE A 34 9.158 -5.167 -12.522 1.00 0.00 C ATOM 526 CE2 PHE A 34 8.371 -3.206 -11.404 1.00 0.00 C ATOM 527 CZ PHE A 34 9.409 -4.048 -11.751 1.00 0.00 C ATOM 0 H PHE A 34 4.373 -2.433 -13.713 1.00 0.00 H new ATOM 0 HA PHE A 34 5.820 -4.592 -15.144 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.716 -4.538 -12.315 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.291 -5.980 -13.127 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.680 -6.315 -13.549 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.281 -2.817 -11.558 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.967 -5.828 -12.794 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.563 -2.332 -10.800 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.414 -3.833 -11.421 1.00 0.00 H new ATOM 537 N ASP A 35 2.739 -3.834 -14.913 1.00 0.00 N ATOM 538 CA ASP A 35 1.374 -4.116 -15.364 1.00 0.00 C ATOM 539 C ASP A 35 0.567 -2.828 -15.370 1.00 0.00 C ATOM 540 O ASP A 35 0.186 -2.319 -16.422 1.00 0.00 O ATOM 541 CB ASP A 35 0.684 -5.141 -14.456 1.00 0.00 C ATOM 542 CG ASP A 35 -0.725 -5.471 -14.918 1.00 0.00 C ATOM 543 OD1 ASP A 35 -1.677 -4.781 -14.493 1.00 0.00 O ATOM 544 OD2 ASP A 35 -0.886 -6.426 -15.703 1.00 0.00 O ATOM 0 H ASP A 35 2.885 -2.868 -14.620 1.00 0.00 H new ATOM 0 HA ASP A 35 1.429 -4.533 -16.370 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.277 -6.055 -14.428 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.648 -4.754 -13.438 1.00 0.00 H new ATOM 549 N HIS A 36 0.318 -2.317 -14.171 1.00 0.00 N ATOM 550 CA HIS A 36 -0.341 -1.029 -13.971 1.00 0.00 C ATOM 551 C HIS A 36 0.185 -0.383 -12.691 1.00 0.00 C ATOM 552 O HIS A 36 0.593 0.778 -12.707 1.00 0.00 O ATOM 553 CB HIS A 36 -1.872 -1.160 -13.908 1.00 0.00 C ATOM 554 CG HIS A 36 -2.519 -1.419 -15.231 1.00 0.00 C ATOM 555 ND1 HIS A 36 -2.795 -2.686 -15.695 1.00 0.00 N ATOM 556 CD2 HIS A 36 -2.954 -0.567 -16.185 1.00 0.00 C ATOM 557 CE1 HIS A 36 -3.372 -2.603 -16.876 1.00 0.00 C ATOM 558 NE2 HIS A 36 -3.481 -1.329 -17.199 1.00 0.00 N ATOM 0 H HIS A 36 0.569 -2.787 -13.302 1.00 0.00 H new ATOM 0 HA HIS A 36 -0.110 -0.399 -14.830 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -2.129 -1.970 -13.226 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -2.287 -0.245 -13.486 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -2.585 -3.553 -15.201 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.898 0.511 -16.156 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.700 -3.437 -17.478 1.00 0.00 H new ATOM 567 N PRO A 37 0.188 -1.117 -11.549 1.00 0.00 N ATOM 568 CA PRO A 37 0.845 -0.653 -10.330 1.00 0.00 C ATOM 569 C PRO A 37 2.357 -0.837 -10.418 1.00 0.00 C ATOM 570 O PRO A 37 2.881 -1.230 -11.463 1.00 0.00 O ATOM 571 CB PRO A 37 0.259 -1.539 -9.219 1.00 0.00 C ATOM 572 CG PRO A 37 -0.805 -2.365 -9.867 1.00 0.00 C ATOM 573 CD PRO A 37 -0.461 -2.418 -11.325 1.00 0.00 C ATOM 0 HA PRO A 37 0.678 0.409 -10.152 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.029 -2.172 -8.778 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.155 -0.932 -8.414 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.836 -3.366 -9.438 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.789 -1.922 -9.715 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.206 -3.249 -11.554 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.348 -2.541 -11.947 1.00 0.00 H new ATOM 581 N HIS A 38 3.055 -0.574 -9.325 1.00 0.00 N ATOM 582 CA HIS A 38 4.502 -0.685 -9.317 1.00 0.00 C ATOM 583 C HIS A 38 4.923 -2.104 -8.925 1.00 0.00 C ATOM 584 O HIS A 38 4.939 -3.000 -9.762 1.00 0.00 O ATOM 585 CB HIS A 38 5.119 0.365 -8.381 1.00 0.00 C ATOM 586 CG HIS A 38 6.622 0.435 -8.415 1.00 0.00 C ATOM 587 ND1 HIS A 38 7.365 1.155 -7.488 1.00 0.00 N ATOM 588 CD2 HIS A 38 7.522 -0.132 -9.259 1.00 0.00 C ATOM 589 CE1 HIS A 38 8.659 1.014 -7.774 1.00 0.00 C ATOM 590 NE2 HIS A 38 8.775 0.242 -8.837 1.00 0.00 N ATOM 0 H HIS A 38 2.645 -0.284 -8.437 1.00 0.00 H new ATOM 0 HA HIS A 38 4.876 -0.490 -10.322 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.718 1.344 -8.642 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.802 0.152 -7.360 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.295 -0.762 -10.107 1.00 0.00 H new ATOM 0 HE1 HIS A 38 9.477 1.458 -7.226 1.00 0.00 H new ATOM 0 HE2 HIS A 38 9.654 -0.033 -9.275 1.00 0.00 H new ATOM 598 N ILE A 39 5.242 -2.307 -7.656 1.00 0.00 N ATOM 599 CA ILE A 39 5.709 -3.604 -7.195 1.00 0.00 C ATOM 600 C ILE A 39 5.270 -3.835 -5.750 1.00 0.00 C ATOM 601 O ILE A 39 5.005 -2.877 -5.020 1.00 0.00 O ATOM 602 CB ILE A 39 7.251 -3.720 -7.312 1.00 0.00 C ATOM 603 CG1 ILE A 39 7.703 -5.162 -7.076 1.00 0.00 C ATOM 604 CG2 ILE A 39 7.943 -2.773 -6.339 1.00 0.00 C ATOM 605 CD1 ILE A 39 9.172 -5.389 -7.362 1.00 0.00 C ATOM 0 H ILE A 39 5.186 -1.593 -6.930 1.00 0.00 H new ATOM 0 HA ILE A 39 5.266 -4.370 -7.831 1.00 0.00 H new ATOM 0 HB ILE A 39 7.536 -3.433 -8.324 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.496 -5.434 -6.041 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.112 -5.827 -7.705 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.024 -2.873 -6.440 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.651 -1.746 -6.561 1.00 0.00 H new ATOM 0 HG23 ILE A 39 7.650 -3.021 -5.319 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.422 -6.433 -7.173 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.381 -5.148 -8.404 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.772 -4.749 -6.715 1.00 0.00 H new ATOM 617 N PHE A 40 5.164 -5.099 -5.359 1.00 0.00 N ATOM 618 CA PHE A 40 4.802 -5.451 -3.995 1.00 0.00 C ATOM 619 C PHE A 40 5.998 -5.283 -3.061 1.00 0.00 C ATOM 620 O PHE A 40 7.115 -5.691 -3.387 1.00 0.00 O ATOM 621 CB PHE A 40 4.259 -6.887 -3.934 1.00 0.00 C ATOM 622 CG PHE A 40 5.183 -7.927 -4.507 1.00 0.00 C ATOM 623 CD1 PHE A 40 5.189 -8.192 -5.867 1.00 0.00 C ATOM 624 CD2 PHE A 40 6.036 -8.646 -3.685 1.00 0.00 C ATOM 625 CE1 PHE A 40 6.029 -9.152 -6.396 1.00 0.00 C ATOM 626 CE2 PHE A 40 6.881 -9.606 -4.208 1.00 0.00 C ATOM 627 CZ PHE A 40 6.878 -9.860 -5.566 1.00 0.00 C ATOM 0 H PHE A 40 5.325 -5.899 -5.971 1.00 0.00 H new ATOM 0 HA PHE A 40 4.014 -4.775 -3.663 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.049 -7.139 -2.895 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.311 -6.927 -4.470 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.529 -7.641 -6.521 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.040 -8.454 -2.622 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.023 -9.350 -7.458 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.543 -10.157 -3.556 1.00 0.00 H new ATOM 0 HZ PHE A 40 7.537 -10.610 -5.978 1.00 0.00 H new ATOM 637 N ILE A 41 5.759 -4.661 -1.914 1.00 0.00 N ATOM 638 CA ILE A 41 6.806 -4.423 -0.932 1.00 0.00 C ATOM 639 C ILE A 41 6.354 -4.935 0.433 1.00 0.00 C ATOM 640 O ILE A 41 5.179 -4.814 0.784 1.00 0.00 O ATOM 641 CB ILE A 41 7.159 -2.915 -0.826 1.00 0.00 C ATOM 642 CG1 ILE A 41 7.555 -2.358 -2.199 1.00 0.00 C ATOM 643 CG2 ILE A 41 8.284 -2.696 0.180 1.00 0.00 C ATOM 644 CD1 ILE A 41 7.860 -0.877 -2.193 1.00 0.00 C ATOM 0 H ILE A 41 4.841 -4.310 -1.640 1.00 0.00 H new ATOM 0 HA ILE A 41 7.698 -4.958 -1.258 1.00 0.00 H new ATOM 0 HB ILE A 41 6.275 -2.381 -0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.430 -2.898 -2.561 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.747 -2.550 -2.905 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.517 -1.633 0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.970 -3.055 1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.170 -3.244 -0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.132 -0.557 -3.199 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.980 -0.326 -1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.689 -0.679 -1.513 1.00 0.00 H new ATOM 656 N ASP A 42 7.266 -5.543 1.175 1.00 0.00 N ATOM 657 CA ASP A 42 6.950 -6.056 2.503 1.00 0.00 C ATOM 658 C ASP A 42 8.028 -5.683 3.510 1.00 0.00 C ATOM 659 O ASP A 42 9.217 -5.640 3.180 1.00 0.00 O ATOM 660 CB ASP A 42 6.750 -7.580 2.478 1.00 0.00 C ATOM 661 CG ASP A 42 7.927 -8.329 1.883 1.00 0.00 C ATOM 662 OD1 ASP A 42 8.000 -8.435 0.635 1.00 0.00 O ATOM 663 OD2 ASP A 42 8.779 -8.832 2.646 1.00 0.00 O ATOM 0 H ASP A 42 8.231 -5.694 0.882 1.00 0.00 H new ATOM 0 HA ASP A 42 6.014 -5.592 2.815 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.579 -7.934 3.495 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.853 -7.813 1.905 1.00 0.00 H new ATOM 668 N MET A 43 7.605 -5.386 4.727 1.00 0.00 N ATOM 669 CA MET A 43 8.522 -5.091 5.817 1.00 0.00 C ATOM 670 C MET A 43 8.545 -6.243 6.807 1.00 0.00 C ATOM 671 O MET A 43 7.496 -6.660 7.305 1.00 0.00 O ATOM 672 CB MET A 43 8.112 -3.816 6.567 1.00 0.00 C ATOM 673 CG MET A 43 8.310 -2.522 5.798 1.00 0.00 C ATOM 674 SD MET A 43 7.165 -2.341 4.423 1.00 0.00 S ATOM 675 CE MET A 43 7.458 -0.633 3.985 1.00 0.00 C ATOM 0 H MET A 43 6.620 -5.342 4.988 1.00 0.00 H new ATOM 0 HA MET A 43 9.510 -4.945 5.379 1.00 0.00 H new ATOM 0 HB2 MET A 43 7.061 -3.898 6.844 1.00 0.00 H new ATOM 0 HB3 MET A 43 8.682 -3.760 7.494 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.189 -1.679 6.478 1.00 0.00 H new ATOM 0 HG3 MET A 43 9.332 -2.483 5.421 1.00 0.00 H new ATOM 0 HE1 MET A 43 6.531 -0.068 4.085 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.213 -0.212 4.648 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.808 -0.577 2.954 1.00 0.00 H new ATOM 685 N GLY A 44 9.728 -6.770 7.080 1.00 0.00 N ATOM 686 CA GLY A 44 9.863 -7.730 8.154 1.00 0.00 C ATOM 687 C GLY A 44 9.979 -7.022 9.487 1.00 0.00 C ATOM 688 O GLY A 44 9.013 -6.935 10.250 1.00 0.00 O ATOM 0 H GLY A 44 10.591 -6.552 6.582 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.001 -8.397 8.164 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.744 -8.350 7.987 1.00 0.00 H new ATOM 692 N SER A 45 11.162 -6.496 9.751 1.00 0.00 N ATOM 693 CA SER A 45 11.403 -5.670 10.918 1.00 0.00 C ATOM 694 C SER A 45 12.050 -4.368 10.464 1.00 0.00 C ATOM 695 O SER A 45 13.273 -4.214 10.515 1.00 0.00 O ATOM 696 CB SER A 45 12.315 -6.395 11.907 1.00 0.00 C ATOM 697 OG SER A 45 11.946 -7.760 12.040 1.00 0.00 O ATOM 0 H SER A 45 11.983 -6.630 9.161 1.00 0.00 H new ATOM 0 HA SER A 45 10.459 -5.461 11.421 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.349 -6.326 11.570 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.264 -5.905 12.879 1.00 0.00 H new ATOM 0 HG SER A 45 12.546 -8.201 12.677 1.00 0.00 H new ATOM 703 N THR A 46 11.235 -3.458 9.961 1.00 0.00 N ATOM 704 CA THR A 46 11.741 -2.234 9.376 1.00 0.00 C ATOM 705 C THR A 46 10.893 -1.048 9.813 1.00 0.00 C ATOM 706 O THR A 46 9.674 -1.055 9.648 1.00 0.00 O ATOM 707 CB THR A 46 11.743 -2.331 7.839 1.00 0.00 C ATOM 708 OG1 THR A 46 12.333 -3.575 7.431 1.00 0.00 O ATOM 709 CG2 THR A 46 12.520 -1.180 7.221 1.00 0.00 C ATOM 0 H THR A 46 10.219 -3.546 9.947 1.00 0.00 H new ATOM 0 HA THR A 46 12.764 -2.088 9.723 1.00 0.00 H new ATOM 0 HB THR A 46 10.710 -2.279 7.494 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.331 -3.633 6.453 1.00 0.00 H new ATOM 0 HG21 THR A 46 12.506 -1.273 6.135 1.00 0.00 H new ATOM 0 HG22 THR A 46 12.061 -0.234 7.510 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.551 -1.206 7.574 1.00 0.00 H new ATOM 717 N ASP A 47 11.548 -0.040 10.376 1.00 0.00 N ATOM 718 CA ASP A 47 10.860 1.144 10.887 1.00 0.00 C ATOM 719 C ASP A 47 10.332 1.981 9.733 1.00 0.00 C ATOM 720 O ASP A 47 9.254 2.567 9.810 1.00 0.00 O ATOM 721 CB ASP A 47 11.809 1.992 11.744 1.00 0.00 C ATOM 722 CG ASP A 47 12.543 1.180 12.793 1.00 0.00 C ATOM 723 OD1 ASP A 47 12.001 0.991 13.901 1.00 0.00 O ATOM 724 OD2 ASP A 47 13.673 0.725 12.512 1.00 0.00 O ATOM 0 H ASP A 47 12.561 -0.017 10.492 1.00 0.00 H new ATOM 0 HA ASP A 47 10.025 0.814 11.506 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.536 2.481 11.096 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.239 2.781 12.236 1.00 0.00 H new ATOM 729 N GLU A 48 11.106 2.028 8.662 1.00 0.00 N ATOM 730 CA GLU A 48 10.728 2.762 7.470 1.00 0.00 C ATOM 731 C GLU A 48 11.463 2.198 6.256 1.00 0.00 C ATOM 732 O GLU A 48 12.682 2.030 6.278 1.00 0.00 O ATOM 733 CB GLU A 48 11.011 4.259 7.654 1.00 0.00 C ATOM 734 CG GLU A 48 12.451 4.581 8.021 1.00 0.00 C ATOM 735 CD GLU A 48 12.640 6.034 8.401 1.00 0.00 C ATOM 736 OE1 GLU A 48 12.557 6.904 7.512 1.00 0.00 O ATOM 737 OE2 GLU A 48 12.873 6.313 9.598 1.00 0.00 O ATOM 0 H GLU A 48 12.010 1.560 8.596 1.00 0.00 H new ATOM 0 HA GLU A 48 9.658 2.646 7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.758 4.781 6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.354 4.649 8.432 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.761 3.948 8.852 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.100 4.342 7.178 1.00 0.00 H new ATOM 744 N LYS A 49 10.712 1.871 5.219 1.00 0.00 N ATOM 745 CA LYS A 49 11.274 1.257 4.022 1.00 0.00 C ATOM 746 C LYS A 49 10.846 2.052 2.794 1.00 0.00 C ATOM 747 O LYS A 49 9.655 2.256 2.563 1.00 0.00 O ATOM 748 CB LYS A 49 10.800 -0.199 3.918 1.00 0.00 C ATOM 749 CG LYS A 49 11.559 -1.045 2.908 1.00 0.00 C ATOM 750 CD LYS A 49 10.996 -2.455 2.842 1.00 0.00 C ATOM 751 CE LYS A 49 11.824 -3.356 1.940 1.00 0.00 C ATOM 752 NZ LYS A 49 13.212 -3.533 2.447 1.00 0.00 N ATOM 0 H LYS A 49 9.704 2.021 5.179 1.00 0.00 H new ATOM 0 HA LYS A 49 12.362 1.264 4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.886 -0.665 4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.742 -0.204 3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.501 -0.581 1.924 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.614 -1.084 3.181 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.962 -2.879 3.845 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.970 -2.419 2.476 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.341 -4.330 1.859 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.856 -2.932 0.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.659 -4.337 1.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.761 -2.669 2.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.187 -3.717 3.470 1.00 0.00 H new ATOM 766 N ILE A 50 11.812 2.508 2.012 1.00 0.00 N ATOM 767 CA ILE A 50 11.519 3.403 0.901 1.00 0.00 C ATOM 768 C ILE A 50 11.208 2.625 -0.376 1.00 0.00 C ATOM 769 O ILE A 50 11.628 1.480 -0.539 1.00 0.00 O ATOM 770 CB ILE A 50 12.691 4.388 0.642 1.00 0.00 C ATOM 771 CG1 ILE A 50 12.218 5.574 -0.209 1.00 0.00 C ATOM 772 CG2 ILE A 50 13.853 3.679 -0.044 1.00 0.00 C ATOM 773 CD1 ILE A 50 13.294 6.608 -0.475 1.00 0.00 C ATOM 0 H ILE A 50 12.799 2.276 2.124 1.00 0.00 H new ATOM 0 HA ILE A 50 10.636 3.977 1.183 1.00 0.00 H new ATOM 0 HB ILE A 50 13.037 4.763 1.605 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.845 5.199 -1.162 1.00 0.00 H new ATOM 0 HG13 ILE A 50 11.380 6.057 0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 50 14.662 4.389 -0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 50 14.210 2.868 0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.519 3.273 -0.999 1.00 0.00 H new ATOM 0 HD11 ILE A 50 12.882 7.414 -1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 50 13.651 7.013 0.472 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.124 6.141 -1.006 1.00 0.00 H new ATOM 785 N CYS A 51 10.441 3.248 -1.260 1.00 0.00 N ATOM 786 CA CYS A 51 10.199 2.706 -2.586 1.00 0.00 C ATOM 787 C CYS A 51 11.173 3.356 -3.565 1.00 0.00 C ATOM 788 O CYS A 51 10.977 4.505 -3.960 1.00 0.00 O ATOM 789 CB CYS A 51 8.748 2.963 -3.014 1.00 0.00 C ATOM 790 SG CYS A 51 8.319 2.323 -4.656 1.00 0.00 S ATOM 0 H CYS A 51 9.973 4.136 -1.079 1.00 0.00 H new ATOM 0 HA CYS A 51 10.356 1.627 -2.578 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.081 2.514 -2.278 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.563 4.037 -2.998 1.00 0.00 H new ATOM 795 N PRO A 52 12.229 2.624 -3.958 1.00 0.00 N ATOM 796 CA PRO A 52 13.352 3.164 -4.749 1.00 0.00 C ATOM 797 C PRO A 52 12.915 3.942 -5.991 1.00 0.00 C ATOM 798 O PRO A 52 13.146 5.144 -6.091 1.00 0.00 O ATOM 799 CB PRO A 52 14.150 1.913 -5.158 1.00 0.00 C ATOM 800 CG PRO A 52 13.292 0.746 -4.799 1.00 0.00 C ATOM 801 CD PRO A 52 12.422 1.198 -3.667 1.00 0.00 C ATOM 0 HA PRO A 52 13.922 3.887 -4.165 1.00 0.00 H new ATOM 0 HB2 PRO A 52 14.371 1.922 -6.225 1.00 0.00 H new ATOM 0 HB3 PRO A 52 15.106 1.871 -4.635 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.689 0.430 -5.650 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.901 -0.109 -4.504 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.476 0.658 -3.643 1.00 0.00 H new ATOM 0 HD3 PRO A 52 12.902 1.043 -2.701 1.00 0.00 H new ATOM 809 N TYR A 53 12.256 3.261 -6.918 1.00 0.00 N ATOM 810 CA TYR A 53 11.893 3.860 -8.202 1.00 0.00 C ATOM 811 C TYR A 53 10.635 4.726 -8.100 1.00 0.00 C ATOM 812 O TYR A 53 9.839 4.767 -9.035 1.00 0.00 O ATOM 813 CB TYR A 53 11.657 2.760 -9.241 1.00 0.00 C ATOM 814 CG TYR A 53 12.804 1.787 -9.398 1.00 0.00 C ATOM 815 CD1 TYR A 53 13.929 2.118 -10.146 1.00 0.00 C ATOM 816 CD2 TYR A 53 12.756 0.528 -8.810 1.00 0.00 C ATOM 817 CE1 TYR A 53 14.970 1.224 -10.303 1.00 0.00 C ATOM 818 CE2 TYR A 53 13.795 -0.368 -8.961 1.00 0.00 C ATOM 819 CZ TYR A 53 14.898 -0.017 -9.706 1.00 0.00 C ATOM 820 OH TYR A 53 15.932 -0.914 -9.861 1.00 0.00 O ATOM 0 H TYR A 53 11.960 2.291 -6.808 1.00 0.00 H new ATOM 0 HA TYR A 53 12.722 4.500 -8.505 1.00 0.00 H new ATOM 0 HB2 TYR A 53 10.761 2.204 -8.965 1.00 0.00 H new ATOM 0 HB3 TYR A 53 11.458 3.226 -10.206 1.00 0.00 H new ATOM 0 HD1 TYR A 53 13.990 3.090 -10.612 1.00 0.00 H new ATOM 0 HD2 TYR A 53 11.892 0.247 -8.226 1.00 0.00 H new ATOM 0 HE1 TYR A 53 15.835 1.495 -10.890 1.00 0.00 H new ATOM 0 HE2 TYR A 53 13.743 -1.341 -8.496 1.00 0.00 H new ATOM 0 HH TYR A 53 15.724 -1.740 -9.376 1.00 0.00 H new ATOM 830 N CYS A 54 10.450 5.415 -6.977 1.00 0.00 N ATOM 831 CA CYS A 54 9.279 6.273 -6.796 1.00 0.00 C ATOM 832 C CYS A 54 9.536 7.379 -5.780 1.00 0.00 C ATOM 833 O CYS A 54 9.264 8.546 -6.055 1.00 0.00 O ATOM 834 CB CYS A 54 8.064 5.465 -6.325 1.00 0.00 C ATOM 835 SG CYS A 54 7.400 4.278 -7.522 1.00 0.00 S ATOM 0 H CYS A 54 11.090 5.398 -6.183 1.00 0.00 H new ATOM 0 HA CYS A 54 9.076 6.717 -7.771 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.339 4.925 -5.419 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.271 6.161 -6.053 1.00 0.00 H new ATOM 840 N SER A 55 10.094 7.000 -4.624 1.00 0.00 N ATOM 841 CA SER A 55 10.110 7.858 -3.442 1.00 0.00 C ATOM 842 C SER A 55 8.685 7.980 -2.896 1.00 0.00 C ATOM 843 O SER A 55 7.881 8.779 -3.369 1.00 0.00 O ATOM 844 CB SER A 55 10.718 9.236 -3.739 1.00 0.00 C ATOM 845 OG SER A 55 12.034 9.110 -4.257 1.00 0.00 O ATOM 0 H SER A 55 10.544 6.095 -4.486 1.00 0.00 H new ATOM 0 HA SER A 55 10.749 7.402 -2.686 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.091 9.768 -4.455 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.738 9.833 -2.827 1.00 0.00 H new ATOM 0 HG SER A 55 12.400 10.000 -4.440 1.00 0.00 H new ATOM 851 N THR A 56 8.379 7.138 -1.918 1.00 0.00 N ATOM 852 CA THR A 56 7.041 6.981 -1.388 1.00 0.00 C ATOM 853 C THR A 56 7.211 6.388 -0.005 1.00 0.00 C ATOM 854 O THR A 56 6.381 5.614 0.462 1.00 0.00 O ATOM 855 CB THR A 56 6.195 6.017 -2.256 1.00 0.00 C ATOM 856 OG1 THR A 56 6.614 6.073 -3.629 1.00 0.00 O ATOM 857 CG2 THR A 56 4.715 6.366 -2.170 1.00 0.00 C ATOM 0 H THR A 56 9.069 6.537 -1.467 1.00 0.00 H new ATOM 0 HA THR A 56 6.522 7.939 -1.374 1.00 0.00 H new ATOM 0 HB THR A 56 6.347 5.008 -1.872 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.070 5.457 -4.162 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.142 5.675 -2.788 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.382 6.289 -1.135 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.560 7.385 -2.526 1.00 0.00 H new ATOM 865 N LEU A 57 8.314 6.804 0.626 1.00 0.00 N ATOM 866 CA LEU A 57 8.898 6.139 1.791 1.00 0.00 C ATOM 867 C LEU A 57 7.838 5.604 2.739 1.00 0.00 C ATOM 868 O LEU A 57 7.170 6.361 3.437 1.00 0.00 O ATOM 869 CB LEU A 57 9.837 7.110 2.515 1.00 0.00 C ATOM 870 CG LEU A 57 11.009 6.464 3.262 1.00 0.00 C ATOM 871 CD1 LEU A 57 12.017 7.522 3.677 1.00 0.00 C ATOM 872 CD2 LEU A 57 10.528 5.692 4.480 1.00 0.00 C ATOM 0 H LEU A 57 8.835 7.630 0.333 1.00 0.00 H new ATOM 0 HA LEU A 57 9.465 5.277 1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.238 7.812 1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.251 7.691 3.227 1.00 0.00 H new ATOM 0 HG LEU A 57 11.491 5.760 2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.844 7.049 4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.397 8.030 2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.534 8.247 4.332 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.382 5.246 4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.014 6.370 5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.842 4.906 4.165 1.00 0.00 H new ATOM 884 N TYR A 58 7.702 4.288 2.753 1.00 0.00 N ATOM 885 CA TYR A 58 6.682 3.638 3.548 1.00 0.00 C ATOM 886 C TYR A 58 7.176 3.421 4.968 1.00 0.00 C ATOM 887 O TYR A 58 8.021 2.565 5.230 1.00 0.00 O ATOM 888 CB TYR A 58 6.261 2.317 2.908 1.00 0.00 C ATOM 889 CG TYR A 58 5.685 2.474 1.518 1.00 0.00 C ATOM 890 CD1 TYR A 58 4.342 2.784 1.329 1.00 0.00 C ATOM 891 CD2 TYR A 58 6.484 2.310 0.394 1.00 0.00 C ATOM 892 CE1 TYR A 58 3.817 2.928 0.059 1.00 0.00 C ATOM 893 CE2 TYR A 58 5.966 2.451 -0.879 1.00 0.00 C ATOM 894 CZ TYR A 58 4.631 2.761 -1.041 1.00 0.00 C ATOM 895 OH TYR A 58 4.111 2.907 -2.308 1.00 0.00 O ATOM 0 H TYR A 58 8.290 3.649 2.218 1.00 0.00 H new ATOM 0 HA TYR A 58 5.807 4.286 3.587 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.125 1.654 2.862 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.522 1.833 3.546 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.700 2.914 2.188 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.529 2.068 0.517 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.773 3.171 -0.071 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.602 2.319 -1.742 1.00 0.00 H new ATOM 0 HH TYR A 58 4.720 2.503 -2.960 1.00 0.00 H new ATOM 905 N ARG A 59 6.657 4.227 5.873 1.00 0.00 N ATOM 906 CA ARG A 59 7.069 4.190 7.262 1.00 0.00 C ATOM 907 C ARG A 59 6.142 3.290 8.066 1.00 0.00 C ATOM 908 O ARG A 59 4.953 3.581 8.225 1.00 0.00 O ATOM 909 CB ARG A 59 7.085 5.606 7.832 1.00 0.00 C ATOM 910 CG ARG A 59 7.557 5.701 9.273 1.00 0.00 C ATOM 911 CD ARG A 59 7.769 7.148 9.680 1.00 0.00 C ATOM 912 NE ARG A 59 8.128 7.289 11.089 1.00 0.00 N ATOM 913 CZ ARG A 59 9.219 7.919 11.522 1.00 0.00 C ATOM 914 NH1 ARG A 59 10.111 8.393 10.656 1.00 0.00 N ATOM 915 NH2 ARG A 59 9.412 8.073 12.823 1.00 0.00 N ATOM 0 H ARG A 59 5.941 4.923 5.667 1.00 0.00 H new ATOM 0 HA ARG A 59 8.076 3.778 7.327 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.730 6.227 7.210 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.080 6.023 7.764 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.822 5.238 9.932 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.487 5.146 9.392 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.555 7.583 9.063 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.859 7.714 9.483 1.00 0.00 H new ATOM 0 HE ARG A 59 7.504 6.880 11.785 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.962 8.275 9.654 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.944 8.874 10.994 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.728 7.710 13.487 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.245 8.554 13.162 1.00 0.00 H new ATOM 929 N TYR A 60 6.694 2.191 8.554 1.00 0.00 N ATOM 930 CA TYR A 60 5.945 1.237 9.351 1.00 0.00 C ATOM 931 C TYR A 60 6.307 1.394 10.822 1.00 0.00 C ATOM 932 O TYR A 60 7.286 0.818 11.303 1.00 0.00 O ATOM 933 CB TYR A 60 6.220 -0.196 8.874 1.00 0.00 C ATOM 934 CG TYR A 60 5.540 -1.267 9.700 1.00 0.00 C ATOM 935 CD1 TYR A 60 4.168 -1.456 9.633 1.00 0.00 C ATOM 936 CD2 TYR A 60 6.275 -2.092 10.542 1.00 0.00 C ATOM 937 CE1 TYR A 60 3.546 -2.436 10.385 1.00 0.00 C ATOM 938 CE2 TYR A 60 5.663 -3.074 11.294 1.00 0.00 C ATOM 939 CZ TYR A 60 4.298 -3.242 11.213 1.00 0.00 C ATOM 940 OH TYR A 60 3.683 -4.224 11.957 1.00 0.00 O ATOM 0 H TYR A 60 7.671 1.937 8.409 1.00 0.00 H new ATOM 0 HA TYR A 60 4.880 1.435 9.230 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.894 -0.291 7.838 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.296 -0.371 8.887 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.576 -0.828 8.984 1.00 0.00 H new ATOM 0 HD2 TYR A 60 7.345 -1.962 10.609 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.476 -2.569 10.324 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.251 -3.707 11.942 1.00 0.00 H new ATOM 0 HH TYR A 60 2.888 -4.545 11.482 1.00 0.00 H new ATOM 950 N ASP A 61 5.538 2.205 11.526 1.00 0.00 N ATOM 951 CA ASP A 61 5.795 2.453 12.936 1.00 0.00 C ATOM 952 C ASP A 61 4.760 1.737 13.790 1.00 0.00 C ATOM 953 O ASP A 61 3.578 1.720 13.449 1.00 0.00 O ATOM 954 CB ASP A 61 5.763 3.957 13.227 1.00 0.00 C ATOM 955 CG ASP A 61 6.225 4.287 14.633 1.00 0.00 C ATOM 956 OD1 ASP A 61 5.437 4.121 15.583 1.00 0.00 O ATOM 957 OD2 ASP A 61 7.388 4.714 14.791 1.00 0.00 O ATOM 0 H ASP A 61 4.732 2.703 11.147 1.00 0.00 H new ATOM 0 HA ASP A 61 6.785 2.069 13.182 1.00 0.00 H new ATOM 0 HB2 ASP A 61 6.397 4.476 12.509 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.749 4.330 13.085 1.00 0.00 H new ATOM 962 N PRO A 62 5.196 1.122 14.903 1.00 0.00 N ATOM 963 CA PRO A 62 4.308 0.428 15.845 1.00 0.00 C ATOM 964 C PRO A 62 3.137 1.287 16.343 1.00 0.00 C ATOM 965 O PRO A 62 2.136 0.753 16.820 1.00 0.00 O ATOM 966 CB PRO A 62 5.236 0.078 17.009 1.00 0.00 C ATOM 967 CG PRO A 62 6.584 -0.028 16.392 1.00 0.00 C ATOM 968 CD PRO A 62 6.613 1.014 15.310 1.00 0.00 C ATOM 0 HA PRO A 62 3.829 -0.429 15.371 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.212 0.847 17.781 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.942 -0.858 17.483 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.368 0.149 17.129 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.751 -1.024 15.982 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.999 1.965 15.677 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.249 0.712 14.478 1.00 0.00 H new ATOM 976 N SER A 63 3.260 2.609 16.246 1.00 0.00 N ATOM 977 CA SER A 63 2.184 3.505 16.663 1.00 0.00 C ATOM 978 C SER A 63 1.036 3.474 15.653 1.00 0.00 C ATOM 979 O SER A 63 -0.067 3.948 15.931 1.00 0.00 O ATOM 980 CB SER A 63 2.713 4.929 16.812 1.00 0.00 C ATOM 981 OG SER A 63 3.894 4.944 17.594 1.00 0.00 O ATOM 0 H SER A 63 4.089 3.081 15.885 1.00 0.00 H new ATOM 0 HA SER A 63 1.806 3.165 17.627 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.917 5.352 15.828 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.954 5.558 17.278 1.00 0.00 H new ATOM 0 HG SER A 63 4.672 4.800 17.015 1.00 0.00 H new ATOM 987 N LEU A 64 1.309 2.922 14.479 1.00 0.00 N ATOM 988 CA LEU A 64 0.299 2.770 13.444 1.00 0.00 C ATOM 989 C LEU A 64 -0.350 1.393 13.548 1.00 0.00 C ATOM 990 O LEU A 64 -0.017 0.609 14.437 1.00 0.00 O ATOM 991 CB LEU A 64 0.925 2.963 12.060 1.00 0.00 C ATOM 992 CG LEU A 64 1.469 4.368 11.784 1.00 0.00 C ATOM 993 CD1 LEU A 64 2.308 4.377 10.518 1.00 0.00 C ATOM 994 CD2 LEU A 64 0.327 5.370 11.668 1.00 0.00 C ATOM 0 H LEU A 64 2.230 2.570 14.219 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.469 3.531 13.584 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.737 2.246 11.942 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.177 2.724 11.304 1.00 0.00 H new ATOM 0 HG LEU A 64 2.103 4.659 12.621 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.685 5.384 10.339 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.147 3.690 10.632 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.695 4.064 9.673 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.732 6.363 11.472 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.331 5.079 10.849 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.239 5.387 12.600 1.00 0.00 H new ATOM 1006 N SER A 65 -1.274 1.101 12.644 1.00 0.00 N ATOM 1007 CA SER A 65 -2.019 -0.151 12.680 1.00 0.00 C ATOM 1008 C SER A 65 -2.609 -0.464 11.308 1.00 0.00 C ATOM 1009 O SER A 65 -2.413 0.292 10.361 1.00 0.00 O ATOM 1010 CB SER A 65 -3.131 -0.078 13.730 1.00 0.00 C ATOM 1011 OG SER A 65 -2.596 0.104 15.032 1.00 0.00 O ATOM 0 H SER A 65 -1.527 1.718 11.872 1.00 0.00 H new ATOM 0 HA SER A 65 -1.332 -0.952 12.952 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.805 0.745 13.493 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.722 -0.993 13.702 1.00 0.00 H new ATOM 0 HG SER A 65 -1.634 -0.082 15.019 1.00 0.00 H new ATOM 1017 N TYR A 66 -3.347 -1.565 11.219 1.00 0.00 N ATOM 1018 CA TYR A 66 -3.879 -2.043 9.947 1.00 0.00 C ATOM 1019 C TYR A 66 -4.839 -1.032 9.314 1.00 0.00 C ATOM 1020 O TYR A 66 -4.769 -0.769 8.113 1.00 0.00 O ATOM 1021 CB TYR A 66 -4.589 -3.384 10.154 1.00 0.00 C ATOM 1022 CG TYR A 66 -5.173 -3.971 8.887 1.00 0.00 C ATOM 1023 CD1 TYR A 66 -4.350 -4.420 7.861 1.00 0.00 C ATOM 1024 CD2 TYR A 66 -6.547 -4.079 8.720 1.00 0.00 C ATOM 1025 CE1 TYR A 66 -4.881 -4.956 6.705 1.00 0.00 C ATOM 1026 CE2 TYR A 66 -7.084 -4.615 7.566 1.00 0.00 C ATOM 1027 CZ TYR A 66 -6.248 -5.051 6.563 1.00 0.00 C ATOM 1028 OH TYR A 66 -6.783 -5.589 5.414 1.00 0.00 O ATOM 0 H TYR A 66 -3.592 -2.148 12.019 1.00 0.00 H new ATOM 0 HA TYR A 66 -3.041 -2.172 9.262 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.882 -4.096 10.580 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.388 -3.252 10.884 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.278 -4.348 7.970 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.206 -3.739 9.505 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -4.228 -5.299 5.916 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.155 -4.692 7.451 1.00 0.00 H new ATOM 0 HH TYR A 66 -6.156 -6.241 5.035 1.00 0.00 H new ATOM 1038 N ASN A 67 -5.725 -0.465 10.121 1.00 0.00 N ATOM 1039 CA ASN A 67 -6.722 0.479 9.615 1.00 0.00 C ATOM 1040 C ASN A 67 -6.165 1.902 9.611 1.00 0.00 C ATOM 1041 O ASN A 67 -6.831 2.849 9.194 1.00 0.00 O ATOM 1042 CB ASN A 67 -7.991 0.419 10.472 1.00 0.00 C ATOM 1043 CG ASN A 67 -9.169 1.137 9.835 1.00 0.00 C ATOM 1044 OD1 ASN A 67 -9.334 1.129 8.615 1.00 0.00 O ATOM 1045 ND2 ASN A 67 -9.994 1.765 10.656 1.00 0.00 N ATOM 0 H ASN A 67 -5.777 -0.639 11.125 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.969 0.199 8.591 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.258 -0.624 10.645 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.786 0.861 11.447 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -10.801 2.266 10.284 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.823 1.749 11.662 1.00 0.00 H new ATOM 1052 N GLN A 68 -4.931 2.048 10.070 1.00 0.00 N ATOM 1053 CA GLN A 68 -4.304 3.357 10.160 1.00 0.00 C ATOM 1054 C GLN A 68 -3.277 3.537 9.052 1.00 0.00 C ATOM 1055 O GLN A 68 -2.283 2.810 8.984 1.00 0.00 O ATOM 1056 CB GLN A 68 -3.636 3.548 11.521 1.00 0.00 C ATOM 1057 CG GLN A 68 -4.591 3.444 12.694 1.00 0.00 C ATOM 1058 CD GLN A 68 -3.904 3.705 14.019 1.00 0.00 C ATOM 1059 OE1 GLN A 68 -2.937 4.466 14.091 1.00 0.00 O ATOM 1060 NE2 GLN A 68 -4.383 3.065 15.075 1.00 0.00 N ATOM 0 H GLN A 68 -4.344 1.276 10.386 1.00 0.00 H new ATOM 0 HA GLN A 68 -5.084 4.109 10.045 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.851 2.801 11.637 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.153 4.525 11.544 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.404 4.158 12.562 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.038 2.450 12.709 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.185 2.443 14.974 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.949 3.194 15.989 1.00 0.00 H new ATOM 1069 N THR A 69 -3.527 4.495 8.180 1.00 0.00 N ATOM 1070 CA THR A 69 -2.610 4.795 7.098 1.00 0.00 C ATOM 1071 C THR A 69 -1.757 6.022 7.461 1.00 0.00 C ATOM 1072 O THR A 69 -1.218 6.095 8.567 1.00 0.00 O ATOM 1073 CB THR A 69 -3.382 4.992 5.765 1.00 0.00 C ATOM 1074 OG1 THR A 69 -2.485 5.282 4.682 1.00 0.00 O ATOM 1075 CG2 THR A 69 -4.425 6.097 5.882 1.00 0.00 C ATOM 0 H THR A 69 -4.362 5.081 8.201 1.00 0.00 H new ATOM 0 HA THR A 69 -1.935 3.952 6.952 1.00 0.00 H new ATOM 0 HB THR A 69 -3.895 4.054 5.553 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.998 5.400 3.855 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.946 6.208 4.931 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.142 5.839 6.661 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.933 7.036 6.138 1.00 0.00 H new ATOM 1083 N ASN A 70 -1.653 6.986 6.557 1.00 0.00 N ATOM 1084 CA ASN A 70 -0.781 8.130 6.757 1.00 0.00 C ATOM 1085 C ASN A 70 -1.578 9.350 7.216 1.00 0.00 C ATOM 1086 O ASN A 70 -2.805 9.368 7.104 1.00 0.00 O ATOM 1087 CB ASN A 70 -0.002 8.430 5.458 1.00 0.00 C ATOM 1088 CG ASN A 70 -0.876 8.720 4.233 1.00 0.00 C ATOM 1089 OD1 ASN A 70 -0.572 8.269 3.133 1.00 0.00 O ATOM 1090 ND2 ASN A 70 -1.931 9.501 4.392 1.00 0.00 N ATOM 0 H ASN A 70 -2.165 6.996 5.675 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.065 7.892 7.544 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.650 9.286 5.632 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.642 7.580 5.233 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -2.513 9.741 3.590 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -2.163 9.863 5.317 1.00 0.00 H new ATOM 1097 N PRO A 71 -0.886 10.369 7.756 1.00 0.00 N ATOM 1098 CA PRO A 71 -1.513 11.626 8.189 1.00 0.00 C ATOM 1099 C PRO A 71 -2.427 12.199 7.112 1.00 0.00 C ATOM 1100 O PRO A 71 -1.998 12.399 5.973 1.00 0.00 O ATOM 1101 CB PRO A 71 -0.317 12.548 8.433 1.00 0.00 C ATOM 1102 CG PRO A 71 0.803 11.628 8.775 1.00 0.00 C ATOM 1103 CD PRO A 71 0.570 10.372 7.983 1.00 0.00 C ATOM 0 HA PRO A 71 -2.147 11.497 9.066 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.087 13.141 7.548 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.516 13.249 9.244 1.00 0.00 H new ATOM 0 HG2 PRO A 71 1.765 12.075 8.523 1.00 0.00 H new ATOM 0 HG3 PRO A 71 0.821 11.417 9.844 1.00 0.00 H new ATOM 0 HD2 PRO A 71 1.122 10.383 7.043 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.892 9.487 8.532 1.00 0.00 H new ATOM 1111 N THR A 72 -3.678 12.466 7.486 1.00 0.00 N ATOM 1112 CA THR A 72 -4.722 12.816 6.528 1.00 0.00 C ATOM 1113 C THR A 72 -5.050 11.604 5.655 1.00 0.00 C ATOM 1114 O THR A 72 -4.273 11.228 4.777 1.00 0.00 O ATOM 1115 CB THR A 72 -4.324 14.018 5.643 1.00 0.00 C ATOM 1116 OG1 THR A 72 -4.017 15.152 6.467 1.00 0.00 O ATOM 1117 CG2 THR A 72 -5.445 14.385 4.683 1.00 0.00 C ATOM 0 H THR A 72 -3.993 12.446 8.456 1.00 0.00 H new ATOM 0 HA THR A 72 -5.605 13.112 7.095 1.00 0.00 H new ATOM 0 HB THR A 72 -3.446 13.733 5.063 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.764 15.910 5.899 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.138 15.234 4.072 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.664 13.534 4.038 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.337 14.650 5.250 1.00 0.00 H new ATOM 1125 N GLY A 73 -6.198 10.990 5.921 1.00 0.00 N ATOM 1126 CA GLY A 73 -6.581 9.770 5.231 1.00 0.00 C ATOM 1127 C GLY A 73 -6.695 9.945 3.727 1.00 0.00 C ATOM 1128 O GLY A 73 -7.722 10.405 3.225 1.00 0.00 O ATOM 0 H GLY A 73 -6.876 11.319 6.608 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.847 8.993 5.445 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.537 9.423 5.624 1.00 0.00 H new ATOM 1132 N CYS A 74 -5.640 9.579 3.012 1.00 0.00 N ATOM 1133 CA CYS A 74 -5.623 9.701 1.568 1.00 0.00 C ATOM 1134 C CYS A 74 -6.108 8.408 0.921 1.00 0.00 C ATOM 1135 O CYS A 74 -7.315 8.200 0.788 1.00 0.00 O ATOM 1136 CB CYS A 74 -4.214 10.043 1.079 1.00 0.00 C ATOM 1137 SG CYS A 74 -3.480 11.479 1.896 1.00 0.00 S ATOM 0 H CYS A 74 -4.785 9.195 3.413 1.00 0.00 H new ATOM 0 HA CYS A 74 -6.296 10.508 1.280 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -3.567 9.180 1.234 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -4.248 10.227 0.005 1.00 0.00 H new ATOM 0 HG CYS A 74 -3.912 11.549 3.120 1.00 0.00 H new ATOM 1143 N LEU A 75 -5.148 7.541 0.567 1.00 0.00 N ATOM 1144 CA LEU A 75 -5.401 6.262 -0.116 1.00 0.00 C ATOM 1145 C LEU A 75 -6.360 6.418 -1.303 1.00 0.00 C ATOM 1146 O LEU A 75 -6.739 7.527 -1.677 1.00 0.00 O ATOM 1147 CB LEU A 75 -5.913 5.192 0.867 1.00 0.00 C ATOM 1148 CG LEU A 75 -7.308 5.420 1.446 1.00 0.00 C ATOM 1149 CD1 LEU A 75 -8.224 4.266 1.083 1.00 0.00 C ATOM 1150 CD2 LEU A 75 -7.231 5.590 2.952 1.00 0.00 C ATOM 0 H LEU A 75 -4.159 7.710 0.750 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.444 5.926 -0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.907 4.228 0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.206 5.120 1.694 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.721 6.333 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.215 4.442 1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.298 4.187 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.819 3.339 1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.232 5.752 3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.803 4.692 3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.603 6.448 3.190 1.00 0.00 H new ATOM 1162 N TYR A 76 -6.720 5.309 -1.918 1.00 0.00 N ATOM 1163 CA TYR A 76 -7.628 5.344 -3.050 1.00 0.00 C ATOM 1164 C TYR A 76 -8.950 4.679 -2.688 1.00 0.00 C ATOM 1165 O TYR A 76 -9.078 3.452 -2.724 1.00 0.00 O ATOM 1166 CB TYR A 76 -6.988 4.673 -4.270 1.00 0.00 C ATOM 1167 CG TYR A 76 -7.868 4.653 -5.500 1.00 0.00 C ATOM 1168 CD1 TYR A 76 -8.463 5.814 -5.978 1.00 0.00 C ATOM 1169 CD2 TYR A 76 -8.099 3.469 -6.186 1.00 0.00 C ATOM 1170 CE1 TYR A 76 -9.267 5.795 -7.101 1.00 0.00 C ATOM 1171 CE2 TYR A 76 -8.899 3.442 -7.311 1.00 0.00 C ATOM 1172 CZ TYR A 76 -9.482 4.606 -7.765 1.00 0.00 C ATOM 1173 OH TYR A 76 -10.280 4.584 -8.888 1.00 0.00 O ATOM 0 H TYR A 76 -6.400 4.377 -1.656 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.831 6.384 -3.306 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.059 5.191 -4.510 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.723 3.648 -4.010 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.294 6.748 -5.462 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.646 2.554 -5.834 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.725 6.706 -7.457 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -9.068 2.512 -7.834 1.00 0.00 H new ATOM 0 HH TYR A 76 -10.328 3.670 -9.237 1.00 0.00 H new ATOM 1183 N ASN A 77 -9.919 5.501 -2.308 1.00 0.00 N ATOM 1184 CA ASN A 77 -11.242 5.018 -1.941 1.00 0.00 C ATOM 1185 C ASN A 77 -12.268 5.559 -2.926 1.00 0.00 C ATOM 1186 O ASN A 77 -12.583 6.750 -2.912 1.00 0.00 O ATOM 1187 CB ASN A 77 -11.597 5.465 -0.519 1.00 0.00 C ATOM 1188 CG ASN A 77 -12.833 4.773 0.026 1.00 0.00 C ATOM 1189 OD1 ASN A 77 -13.963 5.217 -0.187 1.00 0.00 O ATOM 1190 ND2 ASN A 77 -12.627 3.685 0.752 1.00 0.00 N ATOM 0 H ASN A 77 -9.811 6.513 -2.246 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.245 3.928 -1.973 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.753 5.264 0.141 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -11.757 6.543 -0.512 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.418 3.184 1.157 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.677 3.347 0.907 1.00 0.00 H new ATOM 1197 N PRO A 78 -12.783 4.701 -3.814 1.00 0.00 N ATOM 1198 CA PRO A 78 -13.721 5.113 -4.853 1.00 0.00 C ATOM 1199 C PRO A 78 -15.116 5.413 -4.305 1.00 0.00 C ATOM 1200 O PRO A 78 -15.923 4.505 -4.093 1.00 0.00 O ATOM 1201 CB PRO A 78 -13.771 3.911 -5.813 1.00 0.00 C ATOM 1202 CG PRO A 78 -12.714 2.966 -5.345 1.00 0.00 C ATOM 1203 CD PRO A 78 -12.489 3.267 -3.892 1.00 0.00 C ATOM 0 HA PRO A 78 -13.398 6.038 -5.330 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -14.753 3.438 -5.795 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.587 4.224 -6.841 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.029 1.932 -5.483 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -11.795 3.098 -5.916 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.148 2.682 -3.250 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -11.467 3.045 -3.586 1.00 0.00 H new ATOM 1211 N LYS A 79 -15.387 6.683 -4.048 1.00 0.00 N ATOM 1212 CA LYS A 79 -16.722 7.110 -3.660 1.00 0.00 C ATOM 1213 C LYS A 79 -17.426 7.662 -4.891 1.00 0.00 C ATOM 1214 O LYS A 79 -17.255 8.829 -5.246 1.00 0.00 O ATOM 1215 CB LYS A 79 -16.668 8.163 -2.548 1.00 0.00 C ATOM 1216 CG LYS A 79 -15.934 7.696 -1.301 1.00 0.00 C ATOM 1217 CD LYS A 79 -16.008 8.726 -0.183 1.00 0.00 C ATOM 1218 CE LYS A 79 -15.228 8.274 1.045 1.00 0.00 C ATOM 1219 NZ LYS A 79 -15.393 9.207 2.193 1.00 0.00 N ATOM 0 H LYS A 79 -14.701 7.436 -4.101 1.00 0.00 H new ATOM 0 HA LYS A 79 -17.275 6.258 -3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -16.181 9.059 -2.932 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -17.685 8.445 -2.276 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -16.363 6.755 -0.957 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.890 7.499 -1.546 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -15.612 9.678 -0.537 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -17.050 8.896 0.089 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.561 7.278 1.338 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.171 8.195 0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.845 8.859 3.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -15.052 10.152 1.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -16.398 9.263 2.453 1.00 0.00 H new ATOM 1233 N LEU A 80 -18.191 6.809 -5.551 1.00 0.00 N ATOM 1234 CA LEU A 80 -18.740 7.128 -6.861 1.00 0.00 C ATOM 1235 C LEU A 80 -20.110 7.784 -6.767 1.00 0.00 C ATOM 1236 O LEU A 80 -21.043 7.228 -6.190 1.00 0.00 O ATOM 1237 CB LEU A 80 -18.831 5.861 -7.714 1.00 0.00 C ATOM 1238 CG LEU A 80 -17.508 5.125 -7.919 1.00 0.00 C ATOM 1239 CD1 LEU A 80 -17.719 3.874 -8.755 1.00 0.00 C ATOM 1240 CD2 LEU A 80 -16.478 6.035 -8.573 1.00 0.00 C ATOM 0 H LEU A 80 -18.448 5.886 -5.201 1.00 0.00 H new ATOM 0 HA LEU A 80 -18.064 7.843 -7.330 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -19.541 5.178 -7.248 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -19.237 6.126 -8.690 1.00 0.00 H new ATOM 0 HG LEU A 80 -17.129 4.829 -6.941 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -16.766 3.362 -8.891 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -18.418 3.210 -8.246 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -18.124 4.151 -9.728 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -15.544 5.489 -8.709 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -16.849 6.366 -9.543 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -16.302 6.902 -7.936 1.00 0.00 H new ATOM 1252 N GLU A 81 -20.205 8.975 -7.338 1.00 0.00 N ATOM 1253 CA GLU A 81 -21.476 9.661 -7.506 1.00 0.00 C ATOM 1254 C GLU A 81 -21.430 10.411 -8.836 1.00 0.00 C ATOM 1255 O GLU A 81 -20.587 10.098 -9.677 1.00 0.00 O ATOM 1256 CB GLU A 81 -21.753 10.618 -6.335 1.00 0.00 C ATOM 1257 CG GLU A 81 -23.181 10.542 -5.796 1.00 0.00 C ATOM 1258 CD GLU A 81 -24.230 10.879 -6.838 1.00 0.00 C ATOM 1259 OE1 GLU A 81 -24.335 12.063 -7.217 1.00 0.00 O ATOM 1260 OE2 GLU A 81 -24.932 9.962 -7.312 1.00 0.00 O ATOM 0 H GLU A 81 -19.403 9.493 -7.698 1.00 0.00 H new ATOM 0 HA GLU A 81 -22.292 8.938 -7.513 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -21.058 10.396 -5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -21.551 11.639 -6.658 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -23.366 9.538 -5.415 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -23.282 11.226 -4.954 1.00 0.00 H new ATOM 1267 N HIS A 82 -22.330 11.379 -9.022 1.00 0.00 N ATOM 1268 CA HIS A 82 -22.467 12.149 -10.270 1.00 0.00 C ATOM 1269 C HIS A 82 -22.526 11.238 -11.501 1.00 0.00 C ATOM 1270 O HIS A 82 -22.228 11.659 -12.614 1.00 0.00 O ATOM 1271 CB HIS A 82 -21.368 13.233 -10.421 1.00 0.00 C ATOM 1272 CG HIS A 82 -19.960 12.733 -10.585 1.00 0.00 C ATOM 1273 ND1 HIS A 82 -19.042 12.728 -9.558 1.00 0.00 N ATOM 1274 CD2 HIS A 82 -19.312 12.236 -11.665 1.00 0.00 C ATOM 1275 CE1 HIS A 82 -17.893 12.249 -9.997 1.00 0.00 C ATOM 1276 NE2 HIS A 82 -18.029 11.940 -11.275 1.00 0.00 N ATOM 0 H HIS A 82 -22.996 11.658 -8.302 1.00 0.00 H new ATOM 0 HA HIS A 82 -23.421 12.672 -10.203 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -21.614 13.852 -11.283 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -21.402 13.880 -9.544 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -19.728 12.098 -12.652 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -16.994 12.130 -9.411 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -17.302 11.547 -11.872 1.00 0.00 H new ATOM 1285 N HIS A 83 -22.937 9.992 -11.289 1.00 0.00 N ATOM 1286 CA HIS A 83 -23.130 9.046 -12.380 1.00 0.00 C ATOM 1287 C HIS A 83 -24.601 8.981 -12.744 1.00 0.00 C ATOM 1288 O HIS A 83 -25.456 8.869 -11.862 1.00 0.00 O ATOM 1289 CB HIS A 83 -22.643 7.644 -11.993 1.00 0.00 C ATOM 1290 CG HIS A 83 -21.175 7.412 -12.196 1.00 0.00 C ATOM 1291 ND1 HIS A 83 -20.656 6.867 -13.349 1.00 0.00 N ATOM 1292 CD2 HIS A 83 -20.116 7.630 -11.379 1.00 0.00 C ATOM 1293 CE1 HIS A 83 -19.347 6.754 -13.235 1.00 0.00 C ATOM 1294 NE2 HIS A 83 -18.992 7.211 -12.049 1.00 0.00 N ATOM 0 H HIS A 83 -23.144 9.613 -10.365 1.00 0.00 H new ATOM 0 HA HIS A 83 -22.547 9.391 -13.234 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -22.883 7.467 -10.945 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -23.197 6.908 -12.575 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -20.149 8.054 -10.386 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -18.679 6.355 -13.985 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -18.039 7.247 -11.688 1.00 0.00 H new ATOM 1303 N HIS A 84 -24.900 9.077 -14.029 1.00 0.00 N ATOM 1304 CA HIS A 84 -26.271 8.944 -14.492 1.00 0.00 C ATOM 1305 C HIS A 84 -26.306 8.398 -15.911 1.00 0.00 C ATOM 1306 O HIS A 84 -25.471 8.756 -16.741 1.00 0.00 O ATOM 1307 CB HIS A 84 -27.017 10.292 -14.416 1.00 0.00 C ATOM 1308 CG HIS A 84 -26.658 11.283 -15.487 1.00 0.00 C ATOM 1309 ND1 HIS A 84 -25.690 12.249 -15.333 1.00 0.00 N ATOM 1310 CD2 HIS A 84 -27.157 11.454 -16.735 1.00 0.00 C ATOM 1311 CE1 HIS A 84 -25.609 12.966 -16.438 1.00 0.00 C ATOM 1312 NE2 HIS A 84 -26.486 12.505 -17.307 1.00 0.00 N ATOM 0 H HIS A 84 -24.216 9.246 -14.766 1.00 0.00 H new ATOM 0 HA HIS A 84 -26.779 8.239 -13.835 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -28.089 10.099 -14.466 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -26.820 10.744 -13.444 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -27.940 10.870 -17.195 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -24.935 13.794 -16.603 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -26.640 12.869 -18.247 1.00 0.00 H new ATOM 1321 N HIS A 85 -27.255 7.515 -16.177 1.00 0.00 N ATOM 1322 CA HIS A 85 -27.523 7.080 -17.540 1.00 0.00 C ATOM 1323 C HIS A 85 -28.583 8.006 -18.116 1.00 0.00 C ATOM 1324 O HIS A 85 -28.532 8.404 -19.278 1.00 0.00 O ATOM 1325 CB HIS A 85 -27.988 5.621 -17.563 1.00 0.00 C ATOM 1326 CG HIS A 85 -27.822 4.959 -18.896 1.00 0.00 C ATOM 1327 ND1 HIS A 85 -28.861 4.380 -19.589 1.00 0.00 N ATOM 1328 CD2 HIS A 85 -26.716 4.766 -19.651 1.00 0.00 C ATOM 1329 CE1 HIS A 85 -28.401 3.857 -20.712 1.00 0.00 C ATOM 1330 NE2 HIS A 85 -27.101 4.076 -20.773 1.00 0.00 N ATOM 0 H HIS A 85 -27.852 7.086 -15.470 1.00 0.00 H new ATOM 0 HA HIS A 85 -26.616 7.130 -18.143 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -27.429 5.059 -16.815 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -29.038 5.579 -17.274 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -25.715 5.094 -19.414 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -28.989 3.338 -21.454 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -26.484 3.781 -21.530 1.00 0.00 H new ATOM 1339 N HIS A 86 -29.547 8.333 -17.265 1.00 0.00 N ATOM 1340 CA HIS A 86 -30.475 9.433 -17.498 1.00 0.00 C ATOM 1341 C HIS A 86 -30.516 10.303 -16.247 1.00 0.00 C ATOM 1342 O HIS A 86 -30.463 11.529 -16.329 1.00 0.00 O ATOM 1343 CB HIS A 86 -31.885 8.936 -17.841 1.00 0.00 C ATOM 1344 CG HIS A 86 -32.037 8.437 -19.246 1.00 0.00 C ATOM 1345 ND1 HIS A 86 -32.896 7.421 -19.595 1.00 0.00 N ATOM 1346 CD2 HIS A 86 -31.445 8.835 -20.395 1.00 0.00 C ATOM 1347 CE1 HIS A 86 -32.825 7.214 -20.896 1.00 0.00 C ATOM 1348 NE2 HIS A 86 -31.951 8.059 -21.408 1.00 0.00 N ATOM 0 H HIS A 86 -29.708 7.839 -16.387 1.00 0.00 H new ATOM 0 HA HIS A 86 -30.124 10.008 -18.355 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -32.153 8.135 -17.152 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -32.594 9.748 -17.677 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -30.709 9.619 -20.497 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -33.388 6.477 -21.449 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -31.694 8.125 -22.393 1.00 0.00 H new ATOM 1357 N HIS A 87 -30.590 9.653 -15.087 1.00 0.00 N ATOM 1358 CA HIS A 87 -30.487 10.342 -13.805 1.00 0.00 C ATOM 1359 C HIS A 87 -30.143 9.341 -12.707 1.00 0.00 C ATOM 1360 O HIS A 87 -30.878 8.342 -12.555 1.00 0.00 O ATOM 1361 CB HIS A 87 -31.769 11.127 -13.460 1.00 0.00 C ATOM 1362 CG HIS A 87 -32.968 10.291 -13.121 1.00 0.00 C ATOM 1363 ND1 HIS A 87 -33.790 9.727 -14.073 1.00 0.00 N ATOM 1364 CD2 HIS A 87 -33.488 9.938 -11.922 1.00 0.00 C ATOM 1365 CE1 HIS A 87 -34.762 9.065 -13.475 1.00 0.00 C ATOM 1366 NE2 HIS A 87 -34.603 9.176 -12.169 1.00 0.00 N ATOM 1367 OXT HIS A 87 -29.133 9.552 -12.010 1.00 0.00 O ATOM 0 H HIS A 87 -30.722 8.644 -15.010 1.00 0.00 H new ATOM 0 HA HIS A 87 -29.685 11.077 -13.882 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -31.556 11.784 -12.617 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -32.021 11.766 -14.306 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -33.098 10.206 -10.951 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -35.554 8.523 -13.970 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -35.209 8.763 -11.460 1.00 0.00 H new TER 1376 HIS A 87 HETATM 1377 ZN ZN A 150 6.761 2.765 -6.122 1.00 0.00 ZN