USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 626 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 SER OG : rot -112:sc= -3.56! USER MOD Set 1.2: A 59 HIS : no HE2:sc= -12.1! C(o=-16!,f=-9.2!) USER MOD Single : A 1 GLY N :NH3+ 170:sc= -0.0259 (180deg=-0.112) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0422 USER MOD Single : A 6 THR OG1 : rot 85:sc= 0.843 USER MOD Single : A 8 CYS SG : rot -42:sc= 0.252 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -9.01! C(o=-9!,f=-11!) USER MOD Single : A 15 ASN : amide:sc= -6.04! C(o=-6!,f=-19!) USER MOD Single : A 16 SER OG : rot 67:sc= -5.66! USER MOD Single : A 17 HIS : no HE2:sc= -3.6! K(o=-3.6!,f=-2.2) USER MOD Single : A 20 LYS NZ :NH3+ -124:sc= -0.156 (180deg=-1.12) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0834 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -2.94! C(o=-2.9!,f=-11!) USER MOD Single : A 47 SER OG : rot 180:sc= -0.587 USER MOD Single : A 49 CYS SG : rot 7:sc= 0.791 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -47:sc= 0.821 USER MOD Single : A 54 GLN : amide:sc= -4.63! C(o=-4.6!,f=-2.8!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0485 USER MOD Single : A 57 THR OG1 : rot -152:sc= 0.104 USER MOD Single : A 63 SER OG : rot 140:sc=-0.00572 USER MOD Single : A 65 HIS : no HD1:sc= -18.1! C(o=-18!,f=-22!) USER MOD Single : A 67 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.77) USER MOD Single : A 71 LYS NZ :NH3+ 153:sc= 0.293 (180deg=0.0396) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.337 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 79 THR OG1 : rot -29:sc= 0.708 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.290 17.058 5.787 1.00 0.00 N ATOM 2 CA GLY A 1 7.222 17.727 4.996 1.00 0.00 C ATOM 3 C GLY A 1 6.738 16.875 3.839 1.00 0.00 C ATOM 4 O GLY A 1 6.237 17.398 2.843 1.00 0.00 O ATOM 0 H1 GLY A 1 8.704 17.738 6.456 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.883 16.259 6.314 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.030 16.709 5.145 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.381 17.958 5.650 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.598 18.675 4.612 1.00 0.00 H new ATOM 10 N SER A 2 6.890 15.560 3.968 1.00 0.00 N ATOM 11 CA SER A 2 6.462 14.635 2.923 1.00 0.00 C ATOM 12 C SER A 2 4.977 14.818 2.609 1.00 0.00 C ATOM 13 O SER A 2 4.128 14.646 3.483 1.00 0.00 O ATOM 14 CB SER A 2 6.729 13.192 3.354 1.00 0.00 C ATOM 15 OG SER A 2 6.631 13.053 4.760 1.00 0.00 O ATOM 0 H SER A 2 7.306 15.111 4.784 1.00 0.00 H new ATOM 0 HA SER A 2 7.035 14.851 2.021 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.015 12.526 2.869 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.723 12.889 3.024 1.00 0.00 H new ATOM 0 HG SER A 2 6.804 12.121 5.009 1.00 0.00 H new ATOM 21 N PRO A 3 4.641 15.174 1.356 1.00 0.00 N ATOM 22 CA PRO A 3 3.253 15.381 0.946 1.00 0.00 C ATOM 23 C PRO A 3 2.520 14.073 0.653 1.00 0.00 C ATOM 24 O PRO A 3 1.337 14.085 0.312 1.00 0.00 O ATOM 25 CB PRO A 3 3.394 16.213 -0.326 1.00 0.00 C ATOM 26 CG PRO A 3 4.686 15.768 -0.917 1.00 0.00 C ATOM 27 CD PRO A 3 5.583 15.409 0.243 1.00 0.00 C ATOM 0 HA PRO A 3 2.662 15.857 1.729 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.563 16.038 -1.009 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.405 17.280 -0.104 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.538 14.911 -1.574 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.130 16.559 -1.521 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.179 14.522 0.029 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.281 16.214 0.473 1.00 0.00 H new ATOM 35 N GLY A 4 3.220 12.946 0.782 1.00 0.00 N ATOM 36 CA GLY A 4 2.594 11.661 0.518 1.00 0.00 C ATOM 37 C GLY A 4 3.457 10.759 -0.367 1.00 0.00 C ATOM 38 O GLY A 4 4.583 11.128 -0.698 1.00 0.00 O ATOM 0 H GLY A 4 4.200 12.900 1.062 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.397 11.156 1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.630 11.822 0.036 1.00 0.00 H new ATOM 42 N PHE A 5 2.952 9.568 -0.743 1.00 0.00 N ATOM 43 CA PHE A 5 3.744 8.654 -1.575 1.00 0.00 C ATOM 44 C PHE A 5 2.925 7.874 -2.641 1.00 0.00 C ATOM 45 O PHE A 5 3.480 7.046 -3.363 1.00 0.00 O ATOM 46 CB PHE A 5 4.494 7.678 -0.670 1.00 0.00 C ATOM 47 CG PHE A 5 5.288 8.352 0.414 1.00 0.00 C ATOM 48 CD1 PHE A 5 6.350 9.184 0.097 1.00 0.00 C ATOM 49 CD2 PHE A 5 4.975 8.152 1.748 1.00 0.00 C ATOM 50 CE1 PHE A 5 7.083 9.805 1.090 1.00 0.00 C ATOM 51 CE2 PHE A 5 5.706 8.769 2.747 1.00 0.00 C ATOM 52 CZ PHE A 5 6.762 9.596 2.416 1.00 0.00 C ATOM 0 H PHE A 5 2.025 9.227 -0.490 1.00 0.00 H new ATOM 0 HA PHE A 5 4.435 9.276 -2.143 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.778 6.995 -0.213 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.166 7.074 -1.279 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.608 9.349 -0.939 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.150 7.507 2.012 1.00 0.00 H new ATOM 0 HE1 PHE A 5 7.906 10.453 0.829 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.452 8.605 3.784 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.336 10.078 3.194 1.00 0.00 H new ATOM 62 N THR A 6 1.626 8.155 -2.750 1.00 0.00 N ATOM 63 CA THR A 6 0.739 7.498 -3.742 1.00 0.00 C ATOM 64 C THR A 6 0.565 5.986 -3.497 1.00 0.00 C ATOM 65 O THR A 6 1.512 5.214 -3.639 1.00 0.00 O ATOM 66 CB THR A 6 1.271 7.730 -5.162 1.00 0.00 C ATOM 67 OG1 THR A 6 2.334 8.665 -5.161 1.00 0.00 O ATOM 68 CG2 THR A 6 0.213 8.240 -6.118 1.00 0.00 C ATOM 0 H THR A 6 1.150 8.839 -2.162 1.00 0.00 H new ATOM 0 HA THR A 6 -0.244 7.955 -3.626 1.00 0.00 H new ATOM 0 HB THR A 6 1.611 6.752 -5.503 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.177 8.202 -4.972 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.653 8.384 -7.105 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.598 7.514 -6.184 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.179 9.190 -5.754 1.00 0.00 H new ATOM 76 N CYS A 7 -0.673 5.572 -3.142 1.00 0.00 N ATOM 77 CA CYS A 7 -0.981 4.154 -2.901 1.00 0.00 C ATOM 78 C CYS A 7 -1.376 3.514 -4.219 1.00 0.00 C ATOM 79 O CYS A 7 -1.927 2.414 -4.243 1.00 0.00 O ATOM 80 CB CYS A 7 -2.131 3.933 -1.853 1.00 0.00 C ATOM 81 SG CYS A 7 -2.823 2.243 -1.893 1.00 0.00 S ATOM 0 H CYS A 7 -1.467 6.200 -3.018 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.085 3.694 -2.483 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.748 4.139 -0.853 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.929 4.651 -2.042 1.00 0.00 H new ATOM 86 N CYS A 8 -1.136 4.208 -5.334 1.00 0.00 N ATOM 87 CA CYS A 8 -1.540 3.662 -6.610 1.00 0.00 C ATOM 88 C CYS A 8 -3.014 3.290 -6.473 1.00 0.00 C ATOM 89 O CYS A 8 -3.515 2.350 -7.083 1.00 0.00 O ATOM 90 CB CYS A 8 -0.665 2.454 -6.945 1.00 0.00 C ATOM 91 SG CYS A 8 -1.201 1.495 -8.381 1.00 0.00 S ATOM 0 H CYS A 8 -0.678 5.119 -5.371 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.417 4.373 -7.427 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.354 2.800 -7.118 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.635 1.795 -6.078 1.00 0.00 H new ATOM 0 HG CYS A 8 -2.493 1.354 -8.351 1.00 0.00 H new ATOM 97 N VAL A 9 -3.668 4.060 -5.599 1.00 0.00 N ATOM 98 CA VAL A 9 -5.067 3.896 -5.245 1.00 0.00 C ATOM 99 C VAL A 9 -5.968 4.387 -6.370 1.00 0.00 C ATOM 100 O VAL A 9 -6.178 5.589 -6.533 1.00 0.00 O ATOM 101 CB VAL A 9 -5.340 4.687 -3.928 1.00 0.00 C ATOM 102 CG1 VAL A 9 -4.614 6.017 -3.957 1.00 0.00 C ATOM 103 CG2 VAL A 9 -6.819 4.922 -3.647 1.00 0.00 C ATOM 0 H VAL A 9 -3.220 4.834 -5.109 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.287 2.840 -5.090 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.963 4.061 -3.119 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.812 6.560 -3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.542 5.844 -4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.965 6.605 -4.805 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.929 5.477 -2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.258 5.494 -4.464 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.330 3.963 -3.560 1.00 0.00 H new ATOM 113 N PRO A 10 -6.524 3.451 -7.158 1.00 0.00 N ATOM 114 CA PRO A 10 -7.415 3.779 -8.258 1.00 0.00 C ATOM 115 C PRO A 10 -8.843 3.920 -7.773 1.00 0.00 C ATOM 116 O PRO A 10 -9.680 4.547 -8.425 1.00 0.00 O ATOM 117 CB PRO A 10 -7.272 2.569 -9.172 1.00 0.00 C ATOM 118 CG PRO A 10 -7.065 1.427 -8.235 1.00 0.00 C ATOM 119 CD PRO A 10 -6.344 1.987 -7.029 1.00 0.00 C ATOM 0 HA PRO A 10 -7.175 4.724 -8.745 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.162 2.425 -9.785 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.430 2.682 -9.854 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.018 0.984 -7.946 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.478 0.639 -8.707 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.770 1.612 -6.098 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.289 1.712 -7.030 1.00 0.00 H new ATOM 127 N GLY A 11 -9.116 3.328 -6.614 1.00 0.00 N ATOM 128 CA GLY A 11 -10.439 3.396 -6.056 1.00 0.00 C ATOM 129 C GLY A 11 -10.530 2.915 -4.619 1.00 0.00 C ATOM 130 O GLY A 11 -11.639 2.772 -4.105 1.00 0.00 O ATOM 0 H GLY A 11 -8.440 2.805 -6.058 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.790 4.427 -6.106 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -11.113 2.799 -6.671 1.00 0.00 H new ATOM 134 N CYS A 12 -9.396 2.661 -3.938 1.00 0.00 N ATOM 135 CA CYS A 12 -9.503 2.210 -2.555 1.00 0.00 C ATOM 136 C CYS A 12 -10.125 3.327 -1.694 1.00 0.00 C ATOM 137 O CYS A 12 -11.024 4.027 -2.158 1.00 0.00 O ATOM 138 CB CYS A 12 -8.193 1.636 -1.931 1.00 0.00 C ATOM 139 SG CYS A 12 -6.595 2.011 -2.710 1.00 0.00 S ATOM 0 H CYS A 12 -8.449 2.756 -4.305 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.165 1.344 -2.568 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.143 1.983 -0.899 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.294 0.551 -1.898 1.00 0.00 H new ATOM 144 N TYR A 13 -9.704 3.469 -0.440 1.00 0.00 N ATOM 145 CA TYR A 13 -10.295 4.465 0.447 1.00 0.00 C ATOM 146 C TYR A 13 -9.510 5.774 0.488 1.00 0.00 C ATOM 147 O TYR A 13 -10.067 6.865 0.383 1.00 0.00 O ATOM 148 CB TYR A 13 -10.394 3.887 1.861 1.00 0.00 C ATOM 149 CG TYR A 13 -11.262 4.697 2.808 1.00 0.00 C ATOM 150 CD1 TYR A 13 -11.957 5.822 2.372 1.00 0.00 C ATOM 151 CD2 TYR A 13 -11.381 4.335 4.145 1.00 0.00 C ATOM 152 CE1 TYR A 13 -12.743 6.556 3.238 1.00 0.00 C ATOM 153 CE2 TYR A 13 -12.167 5.064 5.016 1.00 0.00 C ATOM 154 CZ TYR A 13 -12.845 6.173 4.558 1.00 0.00 C ATOM 155 OH TYR A 13 -13.627 6.903 5.424 1.00 0.00 O ATOM 0 H TYR A 13 -8.961 2.911 -0.018 1.00 0.00 H new ATOM 0 HA TYR A 13 -11.283 4.700 0.051 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -10.791 2.874 1.800 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.391 3.811 2.281 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -11.880 6.126 1.338 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -10.849 3.468 4.509 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -13.275 7.426 2.883 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -12.250 4.766 6.051 1.00 0.00 H new ATOM 0 HH TYR A 13 -13.592 6.499 6.316 1.00 0.00 H new ATOM 165 N ASN A 14 -8.227 5.631 0.723 1.00 0.00 N ATOM 166 CA ASN A 14 -7.304 6.747 0.888 1.00 0.00 C ATOM 167 C ASN A 14 -6.131 6.683 -0.101 1.00 0.00 C ATOM 168 O ASN A 14 -5.826 5.613 -0.608 1.00 0.00 O ATOM 169 CB ASN A 14 -6.775 6.779 2.304 1.00 0.00 C ATOM 170 CG ASN A 14 -7.307 5.647 3.163 1.00 0.00 C ATOM 171 OD1 ASN A 14 -6.546 4.821 3.668 1.00 0.00 O ATOM 172 ND2 ASN A 14 -8.625 5.608 3.330 1.00 0.00 N ATOM 0 H ASN A 14 -7.779 4.719 0.808 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.862 7.660 0.680 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.686 6.729 2.280 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.040 7.731 2.763 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -9.046 4.871 3.897 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.216 6.315 2.892 1.00 0.00 H new ATOM 179 N ASN A 15 -5.464 7.805 -0.409 1.00 0.00 N ATOM 180 CA ASN A 15 -4.348 7.738 -1.345 1.00 0.00 C ATOM 181 C ASN A 15 -3.015 7.961 -0.570 1.00 0.00 C ATOM 182 O ASN A 15 -3.034 8.619 0.470 1.00 0.00 O ATOM 183 CB ASN A 15 -4.505 8.801 -2.436 1.00 0.00 C ATOM 184 CG ASN A 15 -3.411 8.726 -3.486 1.00 0.00 C ATOM 185 OD1 ASN A 15 -2.225 8.786 -3.168 1.00 0.00 O ATOM 186 ND2 ASN A 15 -3.809 8.600 -4.747 1.00 0.00 N ATOM 0 H ASN A 15 -5.671 8.732 -0.037 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.334 6.757 -1.819 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.475 8.681 -2.918 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.497 9.790 -1.978 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.119 8.549 -5.497 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.804 8.554 -4.965 1.00 0.00 H new ATOM 193 N SER A 16 -1.857 7.400 -1.027 1.00 0.00 N ATOM 194 CA SER A 16 -0.609 7.557 -0.315 1.00 0.00 C ATOM 195 C SER A 16 -0.062 8.998 -0.433 1.00 0.00 C ATOM 196 O SER A 16 0.671 9.446 0.448 1.00 0.00 O ATOM 197 CB SER A 16 0.413 6.511 -0.847 1.00 0.00 C ATOM 198 OG SER A 16 1.738 6.894 -0.541 1.00 0.00 O ATOM 0 H SER A 16 -1.790 6.845 -1.880 1.00 0.00 H new ATOM 0 HA SER A 16 -0.781 7.381 0.747 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.202 5.536 -0.408 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.302 6.405 -1.926 1.00 0.00 H new ATOM 0 HG SER A 16 1.873 6.860 0.429 1.00 0.00 H new ATOM 204 N HIS A 17 -0.399 9.727 -1.523 1.00 0.00 N ATOM 205 CA HIS A 17 0.094 11.096 -1.715 1.00 0.00 C ATOM 206 C HIS A 17 -1.016 12.039 -2.212 1.00 0.00 C ATOM 207 O HIS A 17 -0.873 12.675 -3.257 1.00 0.00 O ATOM 208 CB HIS A 17 1.278 11.109 -2.706 1.00 0.00 C ATOM 209 CG HIS A 17 1.794 12.479 -3.035 1.00 0.00 C ATOM 210 ND1 HIS A 17 2.771 12.705 -3.982 1.00 0.00 N ATOM 211 CD2 HIS A 17 1.466 13.696 -2.539 1.00 0.00 C ATOM 212 CE1 HIS A 17 3.023 14.000 -4.051 1.00 0.00 C ATOM 213 NE2 HIS A 17 2.244 14.624 -3.187 1.00 0.00 N ATOM 0 H HIS A 17 -1.004 9.388 -2.271 1.00 0.00 H new ATOM 0 HA HIS A 17 0.432 11.459 -0.744 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.093 10.518 -2.288 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.969 10.619 -3.629 1.00 0.00 H new ATOM 0 HD1 HIS A 17 3.228 11.985 -4.542 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.729 13.899 -1.776 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.744 14.469 -4.704 1.00 0.00 H new ATOM 222 N ARG A 18 -2.121 12.135 -1.467 1.00 0.00 N ATOM 223 CA ARG A 18 -3.221 13.016 -1.861 1.00 0.00 C ATOM 224 C ARG A 18 -4.219 13.235 -0.719 1.00 0.00 C ATOM 225 O ARG A 18 -5.295 13.795 -0.930 1.00 0.00 O ATOM 226 CB ARG A 18 -3.942 12.441 -3.081 1.00 0.00 C ATOM 227 CG ARG A 18 -4.954 13.392 -3.697 1.00 0.00 C ATOM 228 CD ARG A 18 -5.448 12.883 -5.043 1.00 0.00 C ATOM 229 NE ARG A 18 -5.872 13.973 -5.921 1.00 0.00 N ATOM 230 CZ ARG A 18 -7.037 14.606 -5.810 1.00 0.00 C ATOM 231 NH1 ARG A 18 -7.899 14.261 -4.861 1.00 0.00 N ATOM 232 NH2 ARG A 18 -7.342 15.585 -6.648 1.00 0.00 N ATOM 0 H ARG A 18 -2.276 11.621 -0.600 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.790 13.985 -2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.203 12.173 -3.836 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.450 11.521 -2.791 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.800 13.514 -3.020 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.502 14.376 -3.822 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.655 12.315 -5.529 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.282 12.198 -4.887 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.236 14.266 -6.663 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.669 13.508 -4.213 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.791 14.749 -4.780 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.684 15.854 -7.379 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.235 16.070 -6.562 1.00 0.00 H new ATOM 246 N ASP A 19 -3.861 12.797 0.488 1.00 0.00 N ATOM 247 CA ASP A 19 -4.732 12.948 1.660 1.00 0.00 C ATOM 248 C ASP A 19 -3.951 12.808 2.960 1.00 0.00 C ATOM 249 O ASP A 19 -3.736 13.785 3.676 1.00 0.00 O ATOM 250 CB ASP A 19 -5.881 11.931 1.628 1.00 0.00 C ATOM 251 CG ASP A 19 -6.471 11.732 0.245 1.00 0.00 C ATOM 252 OD1 ASP A 19 -7.340 12.538 -0.151 1.00 0.00 O ATOM 253 OD2 ASP A 19 -6.065 10.771 -0.441 1.00 0.00 O ATOM 0 H ASP A 19 -2.973 12.334 0.683 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.151 13.953 1.620 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.519 10.973 2.002 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.668 12.261 2.306 1.00 0.00 H new ATOM 258 N LYS A 20 -3.539 11.588 3.257 1.00 0.00 N ATOM 259 CA LYS A 20 -2.790 11.296 4.473 1.00 0.00 C ATOM 260 C LYS A 20 -3.629 11.524 5.730 1.00 0.00 C ATOM 261 O LYS A 20 -3.094 11.545 6.838 1.00 0.00 O ATOM 262 CB LYS A 20 -1.520 12.149 4.532 1.00 0.00 C ATOM 263 CG LYS A 20 -0.592 11.938 3.347 1.00 0.00 C ATOM 264 CD LYS A 20 0.147 13.215 2.982 1.00 0.00 C ATOM 265 CE LYS A 20 0.939 13.764 4.159 1.00 0.00 C ATOM 266 NZ LYS A 20 0.197 14.836 4.878 1.00 0.00 N ATOM 0 H LYS A 20 -3.712 10.774 2.667 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.519 10.241 4.442 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.801 13.201 4.581 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.981 11.920 5.451 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.128 11.155 3.583 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.169 11.593 2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.822 13.019 2.149 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.568 13.965 2.643 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.168 12.954 4.852 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.891 14.158 3.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.777 15.698 4.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.693 15.036 4.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.012 14.523 5.848 1.00 0.00 H new ATOM 280 N ALA A 21 -4.944 11.680 5.566 1.00 0.00 N ATOM 281 CA ALA A 21 -5.824 11.890 6.716 1.00 0.00 C ATOM 282 C ALA A 21 -6.713 10.670 7.020 1.00 0.00 C ATOM 283 O ALA A 21 -7.700 10.796 7.743 1.00 0.00 O ATOM 284 CB ALA A 21 -6.689 13.120 6.490 1.00 0.00 C ATOM 0 H ALA A 21 -5.417 11.665 4.663 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.182 12.039 7.584 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.341 13.269 7.351 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.051 13.995 6.362 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.295 12.979 5.595 1.00 0.00 H new ATOM 290 N LEU A 22 -6.380 9.495 6.467 1.00 0.00 N ATOM 291 CA LEU A 22 -7.185 8.286 6.700 1.00 0.00 C ATOM 292 C LEU A 22 -6.326 7.193 7.455 1.00 0.00 C ATOM 293 O LEU A 22 -5.807 7.531 8.520 1.00 0.00 O ATOM 294 CB LEU A 22 -7.875 7.877 5.360 1.00 0.00 C ATOM 295 CG LEU A 22 -8.765 8.958 4.731 1.00 0.00 C ATOM 296 CD1 LEU A 22 -9.942 9.288 5.634 1.00 0.00 C ATOM 297 CD2 LEU A 22 -7.982 10.209 4.418 1.00 0.00 C ATOM 0 H LEU A 22 -5.570 9.356 5.863 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.013 8.453 7.389 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.104 7.600 4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.480 6.988 5.537 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.147 8.555 3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.556 10.056 5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.541 8.391 5.793 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.574 9.653 6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.645 10.952 3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.553 10.609 5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.182 9.972 3.717 1.00 0.00 H new ATOM 309 N HIS A 23 -6.144 5.916 7.000 1.00 0.00 N ATOM 310 CA HIS A 23 -5.346 4.959 7.765 1.00 0.00 C ATOM 311 C HIS A 23 -4.249 4.341 6.873 1.00 0.00 C ATOM 312 O HIS A 23 -4.489 4.138 5.683 1.00 0.00 O ATOM 313 CB HIS A 23 -6.259 3.848 8.292 1.00 0.00 C ATOM 314 CG HIS A 23 -6.069 3.552 9.748 1.00 0.00 C ATOM 315 ND1 HIS A 23 -5.072 2.727 10.226 1.00 0.00 N ATOM 316 CD2 HIS A 23 -6.753 3.982 10.835 1.00 0.00 C ATOM 317 CE1 HIS A 23 -5.153 2.659 11.544 1.00 0.00 C ATOM 318 NE2 HIS A 23 -6.164 3.412 11.937 1.00 0.00 N ATOM 0 H HIS A 23 -6.534 5.552 6.131 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.872 5.478 8.598 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.297 4.131 8.120 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.078 2.939 7.719 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -7.603 4.649 10.835 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.503 2.086 12.189 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -6.460 3.548 12.904 1.00 0.00 H new ATOM 327 N PHE A 24 -3.050 4.037 7.413 1.00 0.00 N ATOM 328 CA PHE A 24 -2.000 3.451 6.586 1.00 0.00 C ATOM 329 C PHE A 24 -1.376 2.180 7.228 1.00 0.00 C ATOM 330 O PHE A 24 -0.946 2.239 8.379 1.00 0.00 O ATOM 331 CB PHE A 24 -0.908 4.491 6.326 1.00 0.00 C ATOM 332 CG PHE A 24 -1.397 5.698 5.563 1.00 0.00 C ATOM 333 CD1 PHE A 24 -2.048 6.732 6.220 1.00 0.00 C ATOM 334 CD2 PHE A 24 -1.205 5.802 4.190 1.00 0.00 C ATOM 335 CE1 PHE A 24 -2.498 7.838 5.522 1.00 0.00 C ATOM 336 CE2 PHE A 24 -1.651 6.904 3.495 1.00 0.00 C ATOM 337 CZ PHE A 24 -2.295 7.921 4.157 1.00 0.00 C ATOM 0 H PHE A 24 -2.799 4.186 8.390 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.459 3.145 5.646 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.493 4.817 7.280 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.096 4.023 5.769 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.205 6.673 7.287 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.699 5.008 3.661 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.007 8.636 6.043 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.494 6.969 2.428 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.643 8.786 3.611 1.00 0.00 H new ATOM 347 N TYR A 25 -1.281 1.039 6.496 1.00 0.00 N ATOM 348 CA TYR A 25 -0.659 -0.165 7.055 1.00 0.00 C ATOM 349 C TYR A 25 0.862 -0.086 6.834 1.00 0.00 C ATOM 350 O TYR A 25 1.300 0.621 5.930 1.00 0.00 O ATOM 351 CB TYR A 25 -1.219 -1.444 6.416 1.00 0.00 C ATOM 352 CG TYR A 25 -2.671 -1.706 6.749 1.00 0.00 C ATOM 353 CD1 TYR A 25 -3.646 -0.751 6.496 1.00 0.00 C ATOM 354 CD2 TYR A 25 -3.065 -2.910 7.324 1.00 0.00 C ATOM 355 CE1 TYR A 25 -4.971 -0.986 6.805 1.00 0.00 C ATOM 356 CE2 TYR A 25 -4.390 -3.153 7.634 1.00 0.00 C ATOM 357 CZ TYR A 25 -5.338 -2.188 7.371 1.00 0.00 C ATOM 358 OH TYR A 25 -6.659 -2.424 7.678 1.00 0.00 O ATOM 0 H TYR A 25 -1.622 0.939 5.540 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.885 -0.210 8.120 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.110 -1.376 5.334 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.621 -2.295 6.744 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.364 0.191 6.050 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.323 -3.667 7.532 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.717 -0.231 6.604 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.680 -4.093 8.079 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.749 -3.318 8.069 1.00 0.00 H new ATOM 368 N THR A 26 1.677 -0.767 7.656 1.00 0.00 N ATOM 369 CA THR A 26 3.132 -0.679 7.512 1.00 0.00 C ATOM 370 C THR A 26 3.739 -1.940 6.880 1.00 0.00 C ATOM 371 O THR A 26 3.028 -2.895 6.566 1.00 0.00 O ATOM 372 CB THR A 26 3.803 -0.364 8.860 1.00 0.00 C ATOM 373 OG1 THR A 26 4.575 -1.463 9.316 1.00 0.00 O ATOM 374 CG2 THR A 26 2.822 -0.012 9.960 1.00 0.00 C ATOM 0 H THR A 26 1.358 -1.372 8.412 1.00 0.00 H new ATOM 0 HA THR A 26 3.329 0.145 6.826 1.00 0.00 H new ATOM 0 HB THR A 26 4.430 0.505 8.661 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.992 -1.236 10.173 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.367 0.198 10.880 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.249 0.869 9.669 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.143 -0.849 10.123 1.00 0.00 H new ATOM 382 N PHE A 27 5.049 -1.881 6.599 1.00 0.00 N ATOM 383 CA PHE A 27 5.746 -2.951 5.895 1.00 0.00 C ATOM 384 C PHE A 27 6.343 -4.095 6.762 1.00 0.00 C ATOM 385 O PHE A 27 7.098 -3.826 7.695 1.00 0.00 O ATOM 386 CB PHE A 27 6.889 -2.292 5.136 1.00 0.00 C ATOM 387 CG PHE A 27 6.821 -2.401 3.642 1.00 0.00 C ATOM 388 CD1 PHE A 27 5.682 -2.870 3.026 1.00 0.00 C ATOM 389 CD2 PHE A 27 7.901 -2.026 2.854 1.00 0.00 C ATOM 390 CE1 PHE A 27 5.608 -2.969 1.661 1.00 0.00 C ATOM 391 CE2 PHE A 27 7.835 -2.122 1.481 1.00 0.00 C ATOM 392 CZ PHE A 27 6.682 -2.594 0.879 1.00 0.00 C ATOM 0 H PHE A 27 5.645 -1.094 6.854 1.00 0.00 H new ATOM 0 HA PHE A 27 4.996 -3.443 5.276 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.919 -1.236 5.405 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.827 -2.733 5.472 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.835 -3.164 3.627 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.801 -1.656 3.322 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.707 -3.341 1.196 1.00 0.00 H new ATOM 0 HE2 PHE A 27 8.681 -1.830 0.876 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.623 -2.669 -0.197 1.00 0.00 H new ATOM 402 N PRO A 28 6.037 -5.398 6.448 1.00 0.00 N ATOM 403 CA PRO A 28 6.574 -6.568 7.187 1.00 0.00 C ATOM 404 C PRO A 28 8.079 -6.456 7.495 1.00 0.00 C ATOM 405 O PRO A 28 8.741 -5.521 7.043 1.00 0.00 O ATOM 406 CB PRO A 28 6.342 -7.688 6.152 1.00 0.00 C ATOM 407 CG PRO A 28 5.011 -7.341 5.642 1.00 0.00 C ATOM 408 CD PRO A 28 5.090 -5.861 5.393 1.00 0.00 C ATOM 0 HA PRO A 28 6.106 -6.704 8.162 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.097 -7.683 5.366 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.362 -8.678 6.607 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.779 -7.887 4.728 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.231 -7.583 6.364 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.460 -5.639 4.392 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.115 -5.383 5.486 1.00 0.00 H new ATOM 416 N LYS A 29 8.614 -7.411 8.270 1.00 0.00 N ATOM 417 CA LYS A 29 10.032 -7.409 8.639 1.00 0.00 C ATOM 418 C LYS A 29 10.903 -7.915 7.497 1.00 0.00 C ATOM 419 O LYS A 29 12.058 -7.517 7.354 1.00 0.00 O ATOM 420 CB LYS A 29 10.266 -8.289 9.866 1.00 0.00 C ATOM 421 CG LYS A 29 9.453 -9.577 9.871 1.00 0.00 C ATOM 422 CD LYS A 29 8.366 -9.551 10.936 1.00 0.00 C ATOM 423 CE LYS A 29 8.705 -10.462 12.105 1.00 0.00 C ATOM 424 NZ LYS A 29 7.764 -10.281 13.244 1.00 0.00 N ATOM 0 H LYS A 29 8.083 -8.194 8.652 1.00 0.00 H new ATOM 0 HA LYS A 29 10.307 -6.379 8.864 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.325 -8.540 9.923 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.025 -7.716 10.762 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.999 -9.725 8.891 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.115 -10.425 10.047 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.233 -8.531 11.296 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.418 -9.860 10.496 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.679 -11.500 11.775 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.722 -10.259 12.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.031 -10.920 14.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.807 -9.297 13.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.796 -10.499 12.933 1.00 0.00 H new ATOM 438 N ASP A 30 10.337 -8.803 6.700 1.00 0.00 N ATOM 439 CA ASP A 30 11.049 -9.393 5.567 1.00 0.00 C ATOM 440 C ASP A 30 11.014 -8.433 4.371 1.00 0.00 C ATOM 441 O ASP A 30 9.943 -8.143 3.839 1.00 0.00 O ATOM 442 CB ASP A 30 10.399 -10.739 5.172 1.00 0.00 C ATOM 443 CG ASP A 30 9.286 -11.175 6.111 1.00 0.00 C ATOM 444 OD1 ASP A 30 8.123 -10.785 5.873 1.00 0.00 O ATOM 445 OD2 ASP A 30 9.578 -11.905 7.081 1.00 0.00 O ATOM 0 H ASP A 30 9.380 -9.137 6.813 1.00 0.00 H new ATOM 0 HA ASP A 30 12.085 -9.570 5.857 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.999 -10.657 4.161 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.168 -11.512 5.149 1.00 0.00 H new ATOM 450 N ALA A 31 12.184 -7.918 3.967 1.00 0.00 N ATOM 451 CA ALA A 31 12.266 -6.974 2.863 1.00 0.00 C ATOM 452 C ALA A 31 11.424 -7.398 1.623 1.00 0.00 C ATOM 453 O ALA A 31 10.518 -6.673 1.209 1.00 0.00 O ATOM 454 CB ALA A 31 13.736 -6.708 2.518 1.00 0.00 C ATOM 0 H ALA A 31 13.082 -8.145 4.394 1.00 0.00 H new ATOM 0 HA ALA A 31 11.813 -6.038 3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.793 -6.001 1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.244 -6.291 3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.217 -7.643 2.230 1.00 0.00 H new ATOM 460 N GLU A 32 11.695 -8.550 1.021 1.00 0.00 N ATOM 461 CA GLU A 32 10.933 -8.966 -0.164 1.00 0.00 C ATOM 462 C GLU A 32 9.445 -8.981 0.049 1.00 0.00 C ATOM 463 O GLU A 32 8.752 -8.245 -0.650 1.00 0.00 O ATOM 464 CB GLU A 32 11.432 -10.319 -0.688 1.00 0.00 C ATOM 465 CG GLU A 32 10.520 -10.975 -1.718 1.00 0.00 C ATOM 466 CD GLU A 32 9.353 -11.708 -1.085 1.00 0.00 C ATOM 467 OE1 GLU A 32 9.596 -12.680 -0.339 1.00 0.00 O ATOM 468 OE2 GLU A 32 8.196 -11.307 -1.333 1.00 0.00 O ATOM 0 H GLU A 32 12.418 -9.204 1.320 1.00 0.00 H new ATOM 0 HA GLU A 32 11.115 -8.205 -0.923 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.418 -10.181 -1.131 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.553 -10.998 0.156 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.139 -10.213 -2.398 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.101 -11.675 -2.318 1.00 0.00 H new ATOM 475 N LEU A 33 8.911 -9.782 0.971 1.00 0.00 N ATOM 476 CA LEU A 33 7.481 -9.774 1.139 1.00 0.00 C ATOM 477 C LEU A 33 6.955 -8.362 0.974 1.00 0.00 C ATOM 478 O LEU A 33 5.940 -8.120 0.325 1.00 0.00 O ATOM 479 CB LEU A 33 7.084 -10.285 2.537 1.00 0.00 C ATOM 480 CG LEU A 33 5.609 -10.646 2.725 1.00 0.00 C ATOM 481 CD1 LEU A 33 4.845 -10.642 1.407 1.00 0.00 C ATOM 482 CD2 LEU A 33 5.482 -11.995 3.383 1.00 0.00 C ATOM 0 H LEU A 33 9.429 -10.413 1.582 1.00 0.00 H new ATOM 0 HA LEU A 33 7.051 -10.432 0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.685 -11.165 2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.347 -9.522 3.269 1.00 0.00 H new ATOM 0 HG LEU A 33 5.169 -9.882 3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.803 -10.904 1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.897 -9.649 0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.288 -11.370 0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.428 -12.240 3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.957 -12.751 2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.970 -11.972 4.357 1.00 0.00 H new ATOM 494 N ARG A 34 7.700 -7.418 1.507 1.00 0.00 N ATOM 495 CA ARG A 34 7.274 -6.030 1.421 1.00 0.00 C ATOM 496 C ARG A 34 7.420 -5.509 0.036 1.00 0.00 C ATOM 497 O ARG A 34 6.473 -4.947 -0.518 1.00 0.00 O ATOM 498 CB ARG A 34 7.965 -5.111 2.435 1.00 0.00 C ATOM 499 CG ARG A 34 9.267 -5.611 2.999 1.00 0.00 C ATOM 500 CD ARG A 34 10.250 -4.464 3.190 1.00 0.00 C ATOM 501 NE ARG A 34 10.813 -4.432 4.538 1.00 0.00 N ATOM 502 CZ ARG A 34 11.392 -3.358 5.071 1.00 0.00 C ATOM 503 NH1 ARG A 34 11.502 -2.237 4.368 1.00 0.00 N ATOM 504 NH2 ARG A 34 11.865 -3.404 6.310 1.00 0.00 N ATOM 0 H ARG A 34 8.583 -7.575 1.994 1.00 0.00 H new ATOM 0 HA ARG A 34 6.217 -6.024 1.686 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.145 -4.147 1.958 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.278 -4.934 3.262 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.089 -6.106 3.954 1.00 0.00 H new ATOM 0 HG3 ARG A 34 9.696 -6.356 2.329 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.058 -4.556 2.464 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.746 -3.519 2.987 1.00 0.00 H new ATOM 0 HE ARG A 34 10.759 -5.280 5.102 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.142 -2.196 3.415 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.946 -1.417 4.781 1.00 0.00 H new ATOM 0 HH21 ARG A 34 11.785 -4.263 6.855 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.308 -2.581 6.718 1.00 0.00 H new ATOM 518 N ARG A 35 8.572 -5.732 -0.556 1.00 0.00 N ATOM 519 CA ARG A 35 8.749 -5.287 -1.905 1.00 0.00 C ATOM 520 C ARG A 35 7.584 -5.810 -2.724 1.00 0.00 C ATOM 521 O ARG A 35 7.063 -5.097 -3.575 1.00 0.00 O ATOM 522 CB ARG A 35 10.135 -5.669 -2.491 1.00 0.00 C ATOM 523 CG ARG A 35 10.254 -7.061 -3.111 1.00 0.00 C ATOM 524 CD ARG A 35 9.430 -7.194 -4.383 1.00 0.00 C ATOM 525 NE ARG A 35 10.221 -7.725 -5.494 1.00 0.00 N ATOM 526 CZ ARG A 35 10.112 -8.966 -5.965 1.00 0.00 C ATOM 527 NH1 ARG A 35 9.254 -9.824 -5.426 1.00 0.00 N ATOM 528 NH2 ARG A 35 10.869 -9.352 -6.985 1.00 0.00 N ATOM 0 H ARG A 35 9.372 -6.204 -0.135 1.00 0.00 H new ATOM 0 HA ARG A 35 8.748 -4.197 -1.935 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.398 -4.933 -3.251 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.876 -5.585 -1.696 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.300 -7.270 -3.334 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.927 -7.808 -2.388 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.579 -7.850 -4.197 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.027 -6.219 -4.658 1.00 0.00 H new ATOM 0 HE ARG A 35 10.899 -7.105 -5.936 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.669 -9.535 -4.642 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.180 -10.772 -5.796 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.531 -8.699 -7.405 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.789 -10.301 -7.349 1.00 0.00 H new ATOM 542 N LEU A 36 7.076 -7.010 -2.394 1.00 0.00 N ATOM 543 CA LEU A 36 5.914 -7.502 -3.127 1.00 0.00 C ATOM 544 C LEU A 36 4.775 -6.540 -2.947 1.00 0.00 C ATOM 545 O LEU A 36 4.179 -6.068 -3.921 1.00 0.00 O ATOM 546 CB LEU A 36 5.548 -8.925 -2.688 1.00 0.00 C ATOM 547 CG LEU A 36 6.286 -10.037 -3.431 1.00 0.00 C ATOM 548 CD1 LEU A 36 5.831 -11.401 -2.935 1.00 0.00 C ATOM 549 CD2 LEU A 36 6.069 -9.913 -4.931 1.00 0.00 C ATOM 0 H LEU A 36 7.434 -7.624 -1.663 1.00 0.00 H new ATOM 0 HA LEU A 36 6.149 -7.560 -4.190 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.751 -9.024 -1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.476 -9.067 -2.823 1.00 0.00 H new ATOM 0 HG LEU A 36 7.353 -9.936 -3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.367 -12.182 -3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.040 -11.489 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.760 -11.511 -3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.602 -10.714 -5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.004 -9.987 -5.152 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.445 -8.949 -5.275 1.00 0.00 H new ATOM 561 N TRP A 37 4.526 -6.176 -1.715 1.00 0.00 N ATOM 562 CA TRP A 37 3.500 -5.220 -1.436 1.00 0.00 C ATOM 563 C TRP A 37 3.759 -3.950 -2.215 1.00 0.00 C ATOM 564 O TRP A 37 2.820 -3.392 -2.805 1.00 0.00 O ATOM 565 CB TRP A 37 3.490 -4.910 0.041 1.00 0.00 C ATOM 566 CG TRP A 37 2.808 -5.950 0.836 1.00 0.00 C ATOM 567 CD1 TRP A 37 2.747 -7.278 0.562 1.00 0.00 C ATOM 568 CD2 TRP A 37 2.084 -5.733 2.030 1.00 0.00 C ATOM 569 NE1 TRP A 37 2.016 -7.917 1.551 1.00 0.00 N ATOM 570 CE2 TRP A 37 1.594 -6.972 2.466 1.00 0.00 C ATOM 571 CE3 TRP A 37 1.810 -4.592 2.771 1.00 0.00 C ATOM 572 CZ2 TRP A 37 0.832 -7.091 3.633 1.00 0.00 C ATOM 573 CZ3 TRP A 37 1.065 -4.701 3.912 1.00 0.00 C ATOM 574 CH2 TRP A 37 0.580 -5.937 4.341 1.00 0.00 C ATOM 0 H TRP A 37 5.021 -6.529 -0.896 1.00 0.00 H new ATOM 0 HA TRP A 37 2.535 -5.632 -1.730 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.516 -4.804 0.393 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.997 -3.952 0.204 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.197 -7.761 -0.293 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.822 -8.917 1.596 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.181 -3.630 2.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.457 -8.048 3.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.848 -3.816 4.491 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -0.005 -5.990 5.247 1.00 0.00 H new ATOM 585 N LEU A 38 5.051 -3.511 -2.267 1.00 0.00 N ATOM 586 CA LEU A 38 5.388 -2.315 -3.002 1.00 0.00 C ATOM 587 C LEU A 38 4.498 -2.288 -4.243 1.00 0.00 C ATOM 588 O LEU A 38 3.717 -1.346 -4.457 1.00 0.00 O ATOM 589 CB LEU A 38 6.887 -2.298 -3.381 1.00 0.00 C ATOM 590 CG LEU A 38 7.835 -1.945 -2.234 1.00 0.00 C ATOM 591 CD1 LEU A 38 9.256 -1.782 -2.750 1.00 0.00 C ATOM 592 CD2 LEU A 38 7.376 -0.681 -1.524 1.00 0.00 C ATOM 0 H LEU A 38 5.838 -3.973 -1.812 1.00 0.00 H new ATOM 0 HA LEU A 38 5.218 -1.427 -2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.160 -3.279 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.035 -1.582 -4.189 1.00 0.00 H new ATOM 0 HG LEU A 38 7.820 -2.763 -1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.918 -1.531 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.586 -2.714 -3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.284 -0.984 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.065 -0.449 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.357 0.148 -2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.376 -0.834 -1.118 1.00 0.00 H new ATOM 604 N LYS A 39 4.540 -3.393 -5.013 1.00 0.00 N ATOM 605 CA LYS A 39 3.744 -3.530 -6.193 1.00 0.00 C ATOM 606 C LYS A 39 2.290 -3.064 -6.012 1.00 0.00 C ATOM 607 O LYS A 39 1.856 -2.089 -6.643 1.00 0.00 O ATOM 608 CB LYS A 39 3.838 -5.010 -6.637 1.00 0.00 C ATOM 609 CG LYS A 39 4.948 -5.298 -7.633 1.00 0.00 C ATOM 610 CD LYS A 39 6.257 -4.630 -7.233 1.00 0.00 C ATOM 611 CE LYS A 39 7.228 -4.560 -8.400 1.00 0.00 C ATOM 612 NZ LYS A 39 7.921 -5.859 -8.623 1.00 0.00 N ATOM 0 H LYS A 39 5.133 -4.199 -4.814 1.00 0.00 H new ATOM 0 HA LYS A 39 4.132 -2.871 -6.969 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.988 -5.632 -5.755 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.886 -5.305 -7.077 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.098 -6.375 -7.708 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.649 -4.948 -8.621 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.055 -3.624 -6.866 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.713 -5.184 -6.412 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.689 -4.276 -9.304 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.967 -3.782 -8.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.574 -5.770 -9.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.456 -6.118 -7.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.218 -6.597 -8.828 1.00 0.00 H new ATOM 626 N ASN A 40 1.549 -3.749 -5.155 1.00 0.00 N ATOM 627 CA ASN A 40 0.137 -3.448 -4.934 1.00 0.00 C ATOM 628 C ASN A 40 -0.128 -2.005 -4.552 1.00 0.00 C ATOM 629 O ASN A 40 -1.146 -1.431 -4.942 1.00 0.00 O ATOM 630 CB ASN A 40 -0.480 -4.373 -3.858 1.00 0.00 C ATOM 631 CG ASN A 40 0.442 -5.486 -3.372 1.00 0.00 C ATOM 632 OD1 ASN A 40 1.503 -5.737 -3.939 1.00 0.00 O ATOM 633 ND2 ASN A 40 0.023 -6.175 -2.317 1.00 0.00 N ATOM 0 H ASN A 40 1.903 -4.525 -4.595 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.339 -3.627 -5.898 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.777 -3.766 -3.003 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.388 -4.822 -4.261 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.588 -6.942 -1.951 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.864 -5.938 -1.872 1.00 0.00 H new ATOM 640 N VAL A 41 0.745 -1.439 -3.755 1.00 0.00 N ATOM 641 CA VAL A 41 0.547 -0.079 -3.284 1.00 0.00 C ATOM 642 C VAL A 41 0.941 1.018 -4.249 1.00 0.00 C ATOM 643 O VAL A 41 0.462 2.130 -4.092 1.00 0.00 O ATOM 644 CB VAL A 41 1.176 0.205 -1.912 1.00 0.00 C ATOM 645 CG1 VAL A 41 2.542 0.855 -2.041 1.00 0.00 C ATOM 646 CG2 VAL A 41 0.243 1.107 -1.121 1.00 0.00 C ATOM 0 H VAL A 41 1.595 -1.890 -3.418 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.539 -0.044 -3.192 1.00 0.00 H new ATOM 0 HB VAL A 41 1.316 -0.743 -1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.952 1.039 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.209 0.193 -2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.446 1.800 -2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.680 1.315 -0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.098 2.043 -1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.719 0.611 -0.990 1.00 0.00 H new ATOM 656 N SER A 42 1.834 0.763 -5.203 1.00 0.00 N ATOM 657 CA SER A 42 2.264 1.844 -6.100 1.00 0.00 C ATOM 658 C SER A 42 3.705 1.588 -6.625 1.00 0.00 C ATOM 659 O SER A 42 3.851 0.814 -7.569 1.00 0.00 O ATOM 660 CB SER A 42 2.113 3.252 -5.411 1.00 0.00 C ATOM 661 OG SER A 42 3.141 4.131 -5.819 1.00 0.00 O ATOM 0 H SER A 42 2.263 -0.146 -5.376 1.00 0.00 H new ATOM 0 HA SER A 42 1.606 1.852 -6.969 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.143 3.681 -5.662 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.139 3.135 -4.328 1.00 0.00 H new ATOM 0 HG SER A 42 3.735 4.313 -5.061 1.00 0.00 H new ATOM 667 N ARG A 43 4.779 2.200 -6.046 1.00 0.00 N ATOM 668 CA ARG A 43 6.139 1.957 -6.539 1.00 0.00 C ATOM 669 C ARG A 43 6.342 2.517 -7.960 1.00 0.00 C ATOM 670 O ARG A 43 7.278 3.280 -8.198 1.00 0.00 O ATOM 671 CB ARG A 43 6.479 0.455 -6.477 1.00 0.00 C ATOM 672 CG ARG A 43 7.704 0.057 -7.289 1.00 0.00 C ATOM 673 CD ARG A 43 8.985 0.569 -6.646 1.00 0.00 C ATOM 674 NE ARG A 43 10.176 0.127 -7.368 1.00 0.00 N ATOM 675 CZ ARG A 43 10.648 0.727 -8.458 1.00 0.00 C ATOM 676 NH1 ARG A 43 10.026 1.784 -8.966 1.00 0.00 N ATOM 677 NH2 ARG A 43 11.745 0.267 -9.044 1.00 0.00 N ATOM 0 H ARG A 43 4.718 2.846 -5.259 1.00 0.00 H new ATOM 0 HA ARG A 43 6.828 2.491 -5.885 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.640 0.173 -5.436 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.621 -0.115 -6.833 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.748 -1.029 -7.377 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.618 0.455 -8.300 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.964 1.658 -6.614 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.037 0.221 -5.614 1.00 0.00 H new ATOM 0 HE ARG A 43 10.675 -0.690 -7.016 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.181 2.141 -8.521 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.393 2.239 -9.802 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.226 -0.546 -8.659 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.108 0.726 -9.880 1.00 0.00 H new ATOM 691 N ALA A 44 5.473 2.139 -8.899 1.00 0.00 N ATOM 692 CA ALA A 44 5.571 2.607 -10.279 1.00 0.00 C ATOM 693 C ALA A 44 5.119 4.078 -10.408 1.00 0.00 C ATOM 694 O ALA A 44 4.037 4.332 -10.935 1.00 0.00 O ATOM 695 CB ALA A 44 4.710 1.710 -11.176 1.00 0.00 C ATOM 0 H ALA A 44 4.691 1.507 -8.726 1.00 0.00 H new ATOM 0 HA ALA A 44 6.614 2.554 -10.592 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.779 2.054 -12.208 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.066 0.682 -11.112 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.672 1.755 -10.847 1.00 0.00 H new ATOM 701 N GLY A 45 5.917 5.059 -9.923 1.00 0.00 N ATOM 702 CA GLY A 45 5.502 6.449 -10.027 1.00 0.00 C ATOM 703 C GLY A 45 5.086 6.847 -11.430 1.00 0.00 C ATOM 704 O GLY A 45 4.030 7.450 -11.625 1.00 0.00 O ATOM 0 H GLY A 45 6.820 4.907 -9.473 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.670 6.625 -9.345 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.321 7.091 -9.702 1.00 0.00 H new ATOM 708 N VAL A 46 5.922 6.518 -12.403 1.00 0.00 N ATOM 709 CA VAL A 46 5.647 6.850 -13.802 1.00 0.00 C ATOM 710 C VAL A 46 5.368 8.335 -13.964 1.00 0.00 C ATOM 711 O VAL A 46 4.598 8.739 -14.836 1.00 0.00 O ATOM 712 CB VAL A 46 4.433 6.080 -14.365 1.00 0.00 C ATOM 713 CG1 VAL A 46 4.637 5.770 -15.836 1.00 0.00 C ATOM 714 CG2 VAL A 46 4.164 4.811 -13.576 1.00 0.00 C ATOM 0 H VAL A 46 6.800 6.020 -12.254 1.00 0.00 H new ATOM 0 HA VAL A 46 6.541 6.562 -14.356 1.00 0.00 H new ATOM 0 HB VAL A 46 3.556 6.719 -14.264 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.772 5.227 -16.217 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.754 6.701 -16.391 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.531 5.159 -15.958 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.303 4.295 -14.000 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.037 4.160 -13.624 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.958 5.066 -12.536 1.00 0.00 H new ATOM 724 N SER A 47 5.970 9.147 -13.108 1.00 0.00 N ATOM 725 CA SER A 47 5.745 10.579 -13.162 1.00 0.00 C ATOM 726 C SER A 47 6.802 11.346 -12.335 1.00 0.00 C ATOM 727 O SER A 47 7.510 12.184 -12.895 1.00 0.00 O ATOM 728 CB SER A 47 4.341 10.873 -12.640 1.00 0.00 C ATOM 729 OG SER A 47 4.344 11.064 -11.235 1.00 0.00 O ATOM 0 H SER A 47 6.611 8.841 -12.376 1.00 0.00 H new ATOM 0 HA SER A 47 5.836 10.916 -14.195 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.948 11.764 -13.130 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.675 10.049 -12.896 1.00 0.00 H new ATOM 0 HG SER A 47 3.432 11.252 -10.929 1.00 0.00 H new ATOM 735 N GLY A 48 6.927 11.079 -11.001 1.00 0.00 N ATOM 736 CA GLY A 48 7.919 11.793 -10.212 1.00 0.00 C ATOM 737 C GLY A 48 9.274 11.855 -10.892 1.00 0.00 C ATOM 738 O GLY A 48 9.753 10.857 -11.430 1.00 0.00 O ATOM 0 H GLY A 48 6.367 10.399 -10.486 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.566 12.807 -10.022 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.025 11.306 -9.243 1.00 0.00 H new ATOM 742 N CYS A 49 9.891 13.033 -10.875 1.00 0.00 N ATOM 743 CA CYS A 49 11.195 13.222 -11.503 1.00 0.00 C ATOM 744 C CYS A 49 12.289 13.442 -10.462 1.00 0.00 C ATOM 745 O CYS A 49 13.477 13.334 -10.768 1.00 0.00 O ATOM 746 CB CYS A 49 11.149 14.408 -12.468 1.00 0.00 C ATOM 747 SG CYS A 49 9.701 14.428 -13.550 1.00 0.00 S ATOM 0 H CYS A 49 9.510 13.870 -10.434 1.00 0.00 H new ATOM 0 HA CYS A 49 11.433 12.314 -12.057 1.00 0.00 H new ATOM 0 HB2 CYS A 49 11.170 15.332 -11.891 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.048 14.396 -13.084 1.00 0.00 H new ATOM 0 HG CYS A 49 8.883 13.481 -13.198 1.00 0.00 H new ATOM 753 N PHE A 50 11.888 13.759 -9.233 1.00 0.00 N ATOM 754 CA PHE A 50 12.846 13.999 -8.161 1.00 0.00 C ATOM 755 C PHE A 50 12.946 12.785 -7.222 1.00 0.00 C ATOM 756 O PHE A 50 14.025 12.209 -7.079 1.00 0.00 O ATOM 757 CB PHE A 50 12.442 15.240 -7.363 1.00 0.00 C ATOM 758 CG PHE A 50 12.793 16.531 -8.045 1.00 0.00 C ATOM 759 CD1 PHE A 50 14.049 16.718 -8.600 1.00 0.00 C ATOM 760 CD2 PHE A 50 11.866 17.558 -8.135 1.00 0.00 C ATOM 761 CE1 PHE A 50 14.375 17.905 -9.229 1.00 0.00 C ATOM 762 CE2 PHE A 50 12.185 18.746 -8.763 1.00 0.00 C ATOM 763 CZ PHE A 50 13.442 18.919 -9.311 1.00 0.00 C ATOM 0 H PHE A 50 10.911 13.855 -8.957 1.00 0.00 H new ATOM 0 HA PHE A 50 13.824 14.162 -8.614 1.00 0.00 H new ATOM 0 HB2 PHE A 50 11.367 15.213 -7.184 1.00 0.00 H new ATOM 0 HB3 PHE A 50 12.928 15.209 -6.388 1.00 0.00 H new ATOM 0 HD1 PHE A 50 14.782 15.927 -8.540 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.882 17.427 -7.709 1.00 0.00 H new ATOM 0 HE1 PHE A 50 15.358 18.039 -9.656 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.454 19.538 -8.826 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.694 19.847 -9.803 1.00 0.00 H new ATOM 773 N SER A 51 11.831 12.390 -6.565 1.00 0.00 N ATOM 774 CA SER A 51 11.870 11.250 -5.652 1.00 0.00 C ATOM 775 C SER A 51 10.908 10.146 -6.087 1.00 0.00 C ATOM 776 O SER A 51 11.169 8.965 -5.859 1.00 0.00 O ATOM 777 CB SER A 51 11.530 11.703 -4.232 1.00 0.00 C ATOM 778 OG SER A 51 10.686 12.842 -4.245 1.00 0.00 O ATOM 0 H SER A 51 10.919 12.838 -6.654 1.00 0.00 H new ATOM 0 HA SER A 51 12.881 10.843 -5.674 1.00 0.00 H new ATOM 0 HB2 SER A 51 11.040 10.890 -3.696 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.448 11.934 -3.692 1.00 0.00 H new ATOM 0 HG SER A 51 10.483 13.109 -3.324 1.00 0.00 H new ATOM 784 N THR A 52 9.796 10.533 -6.707 1.00 0.00 N ATOM 785 CA THR A 52 8.803 9.561 -7.157 1.00 0.00 C ATOM 786 C THR A 52 8.294 8.732 -5.982 1.00 0.00 C ATOM 787 O THR A 52 8.084 7.525 -6.104 1.00 0.00 O ATOM 788 CB THR A 52 9.399 8.641 -8.228 1.00 0.00 C ATOM 789 OG1 THR A 52 10.115 7.574 -7.632 1.00 0.00 O ATOM 790 CG2 THR A 52 10.344 9.350 -9.176 1.00 0.00 C ATOM 0 H THR A 52 9.561 11.505 -6.908 1.00 0.00 H new ATOM 0 HA THR A 52 7.965 10.107 -7.590 1.00 0.00 H new ATOM 0 HB THR A 52 8.544 8.277 -8.798 1.00 0.00 H new ATOM 0 HG1 THR A 52 10.704 7.926 -6.932 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.728 8.638 -9.907 1.00 0.00 H new ATOM 0 HG22 THR A 52 9.811 10.148 -9.692 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.175 9.774 -8.612 1.00 0.00 H new ATOM 798 N PHE A 53 8.115 9.392 -4.840 1.00 0.00 N ATOM 799 CA PHE A 53 7.643 8.736 -3.620 1.00 0.00 C ATOM 800 C PHE A 53 8.424 7.443 -3.334 1.00 0.00 C ATOM 801 O PHE A 53 7.928 6.562 -2.642 1.00 0.00 O ATOM 802 CB PHE A 53 6.135 8.438 -3.702 1.00 0.00 C ATOM 803 CG PHE A 53 5.744 7.478 -4.791 1.00 0.00 C ATOM 804 CD1 PHE A 53 6.123 6.146 -4.731 1.00 0.00 C ATOM 805 CD2 PHE A 53 4.981 7.903 -5.867 1.00 0.00 C ATOM 806 CE1 PHE A 53 5.754 5.260 -5.718 1.00 0.00 C ATOM 807 CE2 PHE A 53 4.605 7.015 -6.860 1.00 0.00 C ATOM 808 CZ PHE A 53 4.994 5.692 -6.782 1.00 0.00 C ATOM 0 H PHE A 53 8.291 10.391 -4.733 1.00 0.00 H new ATOM 0 HA PHE A 53 7.819 9.426 -2.795 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.805 8.034 -2.745 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.601 9.376 -3.854 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.716 5.798 -3.898 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.677 8.937 -5.931 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.061 4.226 -5.658 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.009 7.356 -7.694 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.702 4.997 -7.555 1.00 0.00 H new ATOM 818 N GLN A 54 9.648 7.346 -3.867 1.00 0.00 N ATOM 819 CA GLN A 54 10.509 6.162 -3.679 1.00 0.00 C ATOM 820 C GLN A 54 10.151 5.368 -2.413 1.00 0.00 C ATOM 821 O GLN A 54 9.898 5.953 -1.360 1.00 0.00 O ATOM 822 CB GLN A 54 11.978 6.594 -3.624 1.00 0.00 C ATOM 823 CG GLN A 54 12.800 6.108 -4.808 1.00 0.00 C ATOM 824 CD GLN A 54 14.101 5.451 -4.389 1.00 0.00 C ATOM 825 OE1 GLN A 54 15.087 6.129 -4.101 1.00 0.00 O ATOM 826 NE2 GLN A 54 14.109 4.124 -4.353 1.00 0.00 N ATOM 0 H GLN A 54 10.071 8.078 -4.438 1.00 0.00 H new ATOM 0 HA GLN A 54 10.343 5.502 -4.531 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.027 7.682 -3.581 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.424 6.218 -2.703 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.210 5.398 -5.388 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.018 6.951 -5.464 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.268 3.602 -4.600 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.956 3.626 -4.078 1.00 0.00 H new ATOM 835 N PRO A 55 10.133 4.017 -2.495 1.00 0.00 N ATOM 836 CA PRO A 55 9.807 3.167 -1.347 1.00 0.00 C ATOM 837 C PRO A 55 10.883 3.204 -0.271 1.00 0.00 C ATOM 838 O PRO A 55 10.649 2.780 0.861 1.00 0.00 O ATOM 839 CB PRO A 55 9.675 1.753 -1.926 1.00 0.00 C ATOM 840 CG PRO A 55 9.793 1.891 -3.413 1.00 0.00 C ATOM 841 CD PRO A 55 10.431 3.224 -3.697 1.00 0.00 C ATOM 0 HA PRO A 55 8.896 3.510 -0.856 1.00 0.00 H new ATOM 0 HB2 PRO A 55 10.454 1.099 -1.534 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.718 1.309 -1.652 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.396 1.082 -3.826 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.811 1.829 -3.882 1.00 0.00 H new ATOM 0 HD2 PRO A 55 11.505 3.128 -3.857 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.015 3.684 -4.593 1.00 0.00 H new ATOM 849 N THR A 56 12.057 3.728 -0.616 1.00 0.00 N ATOM 850 CA THR A 56 13.148 3.833 0.344 1.00 0.00 C ATOM 851 C THR A 56 12.632 4.474 1.643 1.00 0.00 C ATOM 852 O THR A 56 12.942 3.998 2.736 1.00 0.00 O ATOM 853 CB THR A 56 14.284 4.679 -0.234 1.00 0.00 C ATOM 854 OG1 THR A 56 13.856 6.013 -0.449 1.00 0.00 O ATOM 855 CG2 THR A 56 14.817 4.150 -1.547 1.00 0.00 C ATOM 0 H THR A 56 12.274 4.084 -1.547 1.00 0.00 H new ATOM 0 HA THR A 56 13.528 2.834 0.558 1.00 0.00 H new ATOM 0 HB THR A 56 15.083 4.635 0.507 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.597 6.539 -0.817 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.620 4.797 -1.901 1.00 0.00 H new ATOM 0 HG22 THR A 56 15.201 3.140 -1.403 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.015 4.131 -2.284 1.00 0.00 H new ATOM 863 N THR A 57 11.830 5.558 1.527 1.00 0.00 N ATOM 864 CA THR A 57 11.286 6.223 2.701 1.00 0.00 C ATOM 865 C THR A 57 10.418 5.270 3.520 1.00 0.00 C ATOM 866 O THR A 57 10.189 5.498 4.708 1.00 0.00 O ATOM 867 CB THR A 57 10.461 7.441 2.279 1.00 0.00 C ATOM 868 OG1 THR A 57 9.802 8.014 3.395 1.00 0.00 O ATOM 869 CG2 THR A 57 9.408 7.121 1.237 1.00 0.00 C ATOM 0 H THR A 57 11.556 5.975 0.637 1.00 0.00 H new ATOM 0 HA THR A 57 12.120 6.548 3.323 1.00 0.00 H new ATOM 0 HB THR A 57 11.178 8.137 1.845 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.980 8.457 3.098 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.860 8.028 0.983 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.890 6.726 0.343 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.716 6.379 1.635 1.00 0.00 H new ATOM 877 N GLY A 58 9.927 4.206 2.884 1.00 0.00 N ATOM 878 CA GLY A 58 9.084 3.255 3.586 1.00 0.00 C ATOM 879 C GLY A 58 7.635 3.272 3.066 1.00 0.00 C ATOM 880 O GLY A 58 6.835 4.055 3.579 1.00 0.00 O ATOM 0 H GLY A 58 10.098 3.988 1.902 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.497 2.253 3.474 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.089 3.484 4.652 1.00 0.00 H new ATOM 884 N HIS A 59 7.260 2.454 2.052 1.00 0.00 N ATOM 885 CA HIS A 59 5.889 2.497 1.557 1.00 0.00 C ATOM 886 C HIS A 59 4.948 1.701 2.459 1.00 0.00 C ATOM 887 O HIS A 59 5.246 0.589 2.894 1.00 0.00 O ATOM 888 CB HIS A 59 5.802 1.995 0.107 1.00 0.00 C ATOM 889 CG HIS A 59 5.547 3.089 -0.889 1.00 0.00 C ATOM 890 ND1 HIS A 59 6.196 4.302 -0.838 1.00 0.00 N ATOM 891 CD2 HIS A 59 4.715 3.160 -1.966 1.00 0.00 C ATOM 892 CE1 HIS A 59 5.777 5.065 -1.828 1.00 0.00 C ATOM 893 NE2 HIS A 59 4.883 4.397 -2.525 1.00 0.00 N ATOM 0 H HIS A 59 7.872 1.785 1.585 1.00 0.00 H new ATOM 0 HA HIS A 59 5.571 3.540 1.573 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.732 1.489 -0.151 1.00 0.00 H new ATOM 0 HB3 HIS A 59 5.005 1.255 0.034 1.00 0.00 H new ATOM 0 HD1 HIS A 59 6.893 4.569 -0.142 1.00 0.00 H new ATOM 0 HD2 HIS A 59 4.048 2.385 -2.313 1.00 0.00 H new ATOM 0 HE1 HIS A 59 6.112 6.071 -2.033 1.00 0.00 H new ATOM 902 N ARG A 60 3.808 2.319 2.722 1.00 0.00 N ATOM 903 CA ARG A 60 2.747 1.774 3.564 1.00 0.00 C ATOM 904 C ARG A 60 1.529 1.500 2.653 1.00 0.00 C ATOM 905 O ARG A 60 1.540 1.932 1.504 1.00 0.00 O ATOM 906 CB ARG A 60 2.413 2.810 4.644 1.00 0.00 C ATOM 907 CG ARG A 60 1.792 4.083 4.087 1.00 0.00 C ATOM 908 CD ARG A 60 2.729 5.271 4.233 1.00 0.00 C ATOM 909 NE ARG A 60 2.698 5.831 5.582 1.00 0.00 N ATOM 910 CZ ARG A 60 3.102 7.063 5.883 1.00 0.00 C ATOM 911 NH1 ARG A 60 3.564 7.867 4.935 1.00 0.00 N ATOM 912 NH2 ARG A 60 3.043 7.492 7.135 1.00 0.00 N ATOM 0 H ARG A 60 3.586 3.241 2.346 1.00 0.00 H new ATOM 0 HA ARG A 60 3.044 0.847 4.055 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.727 2.365 5.365 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.323 3.065 5.186 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.547 3.939 3.035 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.857 4.290 4.607 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.746 4.962 3.992 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.451 6.042 3.514 1.00 0.00 H new ATOM 0 HE ARG A 60 2.346 5.243 6.338 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.611 7.542 3.969 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.872 8.810 5.172 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.688 6.878 7.868 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.353 8.436 7.366 1.00 0.00 H new ATOM 926 N LEU A 61 0.492 0.794 3.124 1.00 0.00 N ATOM 927 CA LEU A 61 -0.675 0.514 2.262 1.00 0.00 C ATOM 928 C LEU A 61 -1.933 1.205 2.846 1.00 0.00 C ATOM 929 O LEU A 61 -1.929 1.542 4.029 1.00 0.00 O ATOM 930 CB LEU A 61 -0.924 -1.002 2.137 1.00 0.00 C ATOM 931 CG LEU A 61 0.068 -1.784 1.260 1.00 0.00 C ATOM 932 CD1 LEU A 61 -0.556 -2.244 -0.047 1.00 0.00 C ATOM 933 CD2 LEU A 61 1.306 -0.960 0.975 1.00 0.00 C ATOM 0 H LEU A 61 0.431 0.414 4.069 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.467 0.908 1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.911 -1.435 3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.927 -1.152 1.737 1.00 0.00 H new ATOM 0 HG LEU A 61 0.350 -2.672 1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.184 -2.791 -0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.405 -2.894 0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.896 -1.377 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.991 -1.536 0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.023 -0.046 0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.797 -0.704 1.914 1.00 0.00 H new ATOM 945 N CYS A 62 -2.990 1.481 2.034 1.00 0.00 N ATOM 946 CA CYS A 62 -4.152 2.192 2.557 1.00 0.00 C ATOM 947 C CYS A 62 -5.395 1.258 2.784 1.00 0.00 C ATOM 948 O CYS A 62 -5.294 0.041 2.632 1.00 0.00 O ATOM 949 CB CYS A 62 -4.299 3.544 1.785 1.00 0.00 C ATOM 950 SG CYS A 62 -5.474 3.687 0.439 1.00 0.00 S ATOM 0 H CYS A 62 -3.047 1.225 1.048 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.022 2.509 3.592 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.552 4.310 2.518 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.317 3.797 1.386 1.00 0.00 H new ATOM 955 N SER A 63 -6.476 1.826 3.331 1.00 0.00 N ATOM 956 CA SER A 63 -7.674 1.124 3.817 1.00 0.00 C ATOM 957 C SER A 63 -8.285 -0.074 3.065 1.00 0.00 C ATOM 958 O SER A 63 -8.035 -1.233 3.398 1.00 0.00 O ATOM 959 CB SER A 63 -8.768 2.178 4.084 1.00 0.00 C ATOM 960 OG SER A 63 -8.990 2.339 5.475 1.00 0.00 O ATOM 0 H SER A 63 -6.544 2.836 3.454 1.00 0.00 H new ATOM 0 HA SER A 63 -7.279 0.605 4.691 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.473 3.132 3.646 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.695 1.876 3.597 1.00 0.00 H new ATOM 0 HG SER A 63 -9.121 3.289 5.678 1.00 0.00 H new ATOM 966 N VAL A 64 -9.228 0.247 2.213 1.00 0.00 N ATOM 967 CA VAL A 64 -10.110 -0.753 1.546 1.00 0.00 C ATOM 968 C VAL A 64 -9.487 -1.772 0.591 1.00 0.00 C ATOM 969 O VAL A 64 -10.109 -2.143 -0.407 1.00 0.00 O ATOM 970 CB VAL A 64 -11.246 -0.048 0.808 1.00 0.00 C ATOM 971 CG1 VAL A 64 -12.235 0.557 1.795 1.00 0.00 C ATOM 972 CG2 VAL A 64 -10.671 1.004 -0.103 1.00 0.00 C ATOM 0 H VAL A 64 -9.428 1.210 1.943 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.438 -1.352 2.395 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.791 -0.774 0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -13.036 1.054 1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.656 -0.232 2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.722 1.282 2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.480 1.509 -0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.113 1.731 0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.003 0.534 -0.825 1.00 0.00 H new ATOM 982 N HIS A 65 -8.306 -2.251 0.889 1.00 0.00 N ATOM 983 CA HIS A 65 -7.669 -3.264 0.025 1.00 0.00 C ATOM 984 C HIS A 65 -7.840 -4.683 0.600 1.00 0.00 C ATOM 985 O HIS A 65 -8.430 -5.534 -0.060 1.00 0.00 O ATOM 986 CB HIS A 65 -6.201 -2.934 -0.229 1.00 0.00 C ATOM 987 CG HIS A 65 -5.918 -1.483 -0.168 1.00 0.00 C ATOM 988 ND1 HIS A 65 -6.905 -0.532 -0.028 1.00 0.00 N ATOM 989 CD2 HIS A 65 -4.756 -0.827 -0.093 1.00 0.00 C ATOM 990 CE1 HIS A 65 -6.354 0.629 0.157 1.00 0.00 C ATOM 991 NE2 HIS A 65 -5.056 0.468 0.127 1.00 0.00 N ATOM 0 H HIS A 65 -7.758 -1.975 1.704 1.00 0.00 H new ATOM 0 HA HIS A 65 -8.179 -3.242 -0.938 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.585 -3.450 0.507 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -5.913 -3.314 -1.209 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.768 -1.252 -0.190 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.875 1.563 0.309 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -4.371 1.214 0.252 1.00 0.00 H new ATOM 999 N PHE A 66 -7.354 -4.951 1.826 1.00 0.00 N ATOM 1000 CA PHE A 66 -7.498 -6.267 2.423 1.00 0.00 C ATOM 1001 C PHE A 66 -8.969 -6.721 2.356 1.00 0.00 C ATOM 1002 O PHE A 66 -9.845 -5.892 2.106 1.00 0.00 O ATOM 1003 CB PHE A 66 -7.015 -6.199 3.874 1.00 0.00 C ATOM 1004 CG PHE A 66 -5.610 -5.694 3.988 1.00 0.00 C ATOM 1005 CD1 PHE A 66 -4.548 -6.560 3.794 1.00 0.00 C ATOM 1006 CD2 PHE A 66 -5.343 -4.358 4.281 1.00 0.00 C ATOM 1007 CE1 PHE A 66 -3.246 -6.114 3.884 1.00 0.00 C ATOM 1008 CE2 PHE A 66 -4.038 -3.910 4.373 1.00 0.00 C ATOM 1009 CZ PHE A 66 -2.990 -4.791 4.173 1.00 0.00 C ATOM 0 H PHE A 66 -6.864 -4.272 2.409 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.899 -6.995 1.876 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -7.679 -5.549 4.444 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.079 -7.191 4.321 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.741 -7.599 3.569 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.160 -3.669 4.437 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.428 -6.801 3.728 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.837 -2.874 4.601 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.971 -4.442 4.243 1.00 0.00 H new ATOM 1019 N GLN A 67 -9.268 -8.016 2.577 1.00 0.00 N ATOM 1020 CA GLN A 67 -10.647 -8.466 2.526 1.00 0.00 C ATOM 1021 C GLN A 67 -11.193 -8.729 3.969 1.00 0.00 C ATOM 1022 O GLN A 67 -10.841 -9.762 4.536 1.00 0.00 O ATOM 1023 CB GLN A 67 -10.714 -9.777 1.735 1.00 0.00 C ATOM 1024 CG GLN A 67 -11.817 -9.798 0.688 1.00 0.00 C ATOM 1025 CD GLN A 67 -11.326 -9.389 -0.685 1.00 0.00 C ATOM 1026 OE1 GLN A 67 -10.228 -9.757 -1.100 1.00 0.00 O ATOM 1027 NE2 GLN A 67 -12.139 -8.619 -1.401 1.00 0.00 N ATOM 0 H GLN A 67 -8.583 -8.742 2.786 1.00 0.00 H new ATOM 0 HA GLN A 67 -11.250 -7.694 2.049 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.755 -9.946 1.245 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.867 -10.603 2.429 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -12.242 -10.800 0.634 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.619 -9.128 0.997 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.042 -8.336 -1.019 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -11.860 -8.311 -2.333 1.00 0.00 H new ATOM 1036 N GLY A 68 -12.055 -7.861 4.581 1.00 0.00 N ATOM 1037 CA GLY A 68 -12.558 -8.157 5.916 1.00 0.00 C ATOM 1038 C GLY A 68 -11.474 -8.588 6.914 1.00 0.00 C ATOM 1039 O GLY A 68 -10.294 -8.639 6.572 1.00 0.00 O ATOM 0 H GLY A 68 -12.392 -6.989 4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.065 -7.274 6.306 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.305 -8.947 5.844 1.00 0.00 H new ATOM 1043 N GLY A 69 -11.890 -8.903 8.154 1.00 0.00 N ATOM 1044 CA GLY A 69 -10.968 -9.337 9.198 1.00 0.00 C ATOM 1045 C GLY A 69 -9.641 -8.559 9.254 1.00 0.00 C ATOM 1046 O GLY A 69 -9.542 -7.614 10.035 1.00 0.00 O ATOM 0 H GLY A 69 -12.865 -8.862 8.450 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.466 -9.247 10.163 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.747 -10.394 9.051 1.00 0.00 H new ATOM 1050 N ARG A 70 -8.606 -8.934 8.461 1.00 0.00 N ATOM 1051 CA ARG A 70 -7.327 -8.240 8.498 1.00 0.00 C ATOM 1052 C ARG A 70 -6.302 -9.068 7.742 1.00 0.00 C ATOM 1053 O ARG A 70 -5.205 -9.315 8.237 1.00 0.00 O ATOM 1054 CB ARG A 70 -6.855 -8.034 9.941 1.00 0.00 C ATOM 1055 CG ARG A 70 -6.855 -9.310 10.769 1.00 0.00 C ATOM 1056 CD ARG A 70 -5.456 -9.673 11.240 1.00 0.00 C ATOM 1057 NE ARG A 70 -5.378 -11.052 11.718 1.00 0.00 N ATOM 1058 CZ ARG A 70 -4.270 -11.609 12.201 1.00 0.00 C ATOM 1059 NH1 ARG A 70 -3.143 -10.910 12.271 1.00 0.00 N ATOM 1060 NH2 ARG A 70 -4.287 -12.869 12.615 1.00 0.00 N ATOM 0 H ARG A 70 -8.647 -9.709 7.799 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.442 -7.260 8.035 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.847 -7.618 9.929 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.498 -7.298 10.423 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.509 -9.184 11.632 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.264 -10.129 10.177 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.750 -9.533 10.421 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.156 -8.995 12.039 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.223 -11.622 11.679 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.123 -9.941 11.954 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.297 -11.342 12.642 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.149 -13.411 12.563 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.438 -13.296 12.985 1.00 0.00 H new ATOM 1074 N LYS A 71 -6.692 -9.522 6.551 1.00 0.00 N ATOM 1075 CA LYS A 71 -5.835 -10.354 5.711 1.00 0.00 C ATOM 1076 C LYS A 71 -5.166 -11.457 6.539 1.00 0.00 C ATOM 1077 O LYS A 71 -4.146 -11.237 7.192 1.00 0.00 O ATOM 1078 CB LYS A 71 -4.819 -9.475 4.958 1.00 0.00 C ATOM 1079 CG LYS A 71 -3.408 -10.047 4.824 1.00 0.00 C ATOM 1080 CD LYS A 71 -2.382 -9.206 5.571 1.00 0.00 C ATOM 1081 CE LYS A 71 -2.872 -8.788 6.952 1.00 0.00 C ATOM 1082 NZ LYS A 71 -2.811 -7.312 7.137 1.00 0.00 N ATOM 0 H LYS A 71 -7.606 -9.324 6.144 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.445 -10.858 4.961 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.207 -9.281 3.958 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.753 -8.513 5.467 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.391 -11.067 5.209 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.136 -10.100 3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.456 -9.772 5.672 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.149 -8.316 4.986 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.897 -9.130 7.093 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.266 -9.275 7.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.528 -7.019 7.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.867 -7.044 7.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.996 -6.840 6.229 1.00 0.00 H new ATOM 1096 N THR A 72 -5.769 -12.646 6.517 1.00 0.00 N ATOM 1097 CA THR A 72 -5.256 -13.783 7.274 1.00 0.00 C ATOM 1098 C THR A 72 -4.070 -14.452 6.562 1.00 0.00 C ATOM 1099 O THR A 72 -2.989 -13.870 6.478 1.00 0.00 O ATOM 1100 CB THR A 72 -6.380 -14.794 7.529 1.00 0.00 C ATOM 1101 OG1 THR A 72 -6.804 -15.387 6.315 1.00 0.00 O ATOM 1102 CG2 THR A 72 -7.600 -14.185 8.188 1.00 0.00 C ATOM 0 H THR A 72 -6.614 -12.845 5.982 1.00 0.00 H new ATOM 0 HA THR A 72 -4.889 -13.413 8.231 1.00 0.00 H new ATOM 0 HB THR A 72 -5.952 -15.533 8.206 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.520 -16.030 6.498 1.00 0.00 H new ATOM 0 HG21 THR A 72 -8.355 -14.956 8.339 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.319 -13.759 9.151 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.005 -13.400 7.549 1.00 0.00 H new ATOM 1110 N TYR A 73 -4.267 -15.675 6.060 1.00 0.00 N ATOM 1111 CA TYR A 73 -3.199 -16.401 5.376 1.00 0.00 C ATOM 1112 C TYR A 73 -3.494 -16.556 3.889 1.00 0.00 C ATOM 1113 O TYR A 73 -2.650 -16.252 3.045 1.00 0.00 O ATOM 1114 CB TYR A 73 -2.984 -17.781 6.012 1.00 0.00 C ATOM 1115 CG TYR A 73 -4.176 -18.307 6.786 1.00 0.00 C ATOM 1116 CD1 TYR A 73 -4.563 -17.723 7.987 1.00 0.00 C ATOM 1117 CD2 TYR A 73 -4.910 -19.389 6.317 1.00 0.00 C ATOM 1118 CE1 TYR A 73 -5.647 -18.203 8.697 1.00 0.00 C ATOM 1119 CE2 TYR A 73 -5.995 -19.876 7.022 1.00 0.00 C ATOM 1120 CZ TYR A 73 -6.359 -19.279 8.211 1.00 0.00 C ATOM 1121 OH TYR A 73 -7.438 -19.760 8.916 1.00 0.00 O ATOM 0 H TYR A 73 -5.152 -16.179 6.115 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.287 -15.815 5.485 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -2.733 -18.494 5.227 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.126 -17.729 6.682 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.007 -16.880 8.371 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.628 -19.858 5.386 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -5.935 -17.738 9.628 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.554 -20.719 6.644 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.830 -20.520 8.436 1.00 0.00 H new ATOM 1131 N THR A 74 -4.693 -17.028 3.570 1.00 0.00 N ATOM 1132 CA THR A 74 -5.096 -17.222 2.177 1.00 0.00 C ATOM 1133 C THR A 74 -4.764 -15.989 1.341 1.00 0.00 C ATOM 1134 O THR A 74 -4.497 -16.089 0.143 1.00 0.00 O ATOM 1135 CB THR A 74 -6.594 -17.526 2.088 1.00 0.00 C ATOM 1136 OG1 THR A 74 -7.266 -17.108 3.265 1.00 0.00 O ATOM 1137 CG2 THR A 74 -6.893 -18.995 1.878 1.00 0.00 C ATOM 0 H THR A 74 -5.405 -17.284 4.254 1.00 0.00 H new ATOM 0 HA THR A 74 -4.540 -18.072 1.780 1.00 0.00 H new ATOM 0 HB THR A 74 -6.950 -16.973 1.219 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.222 -17.310 3.185 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.972 -19.143 1.824 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.434 -19.331 0.948 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.489 -19.571 2.711 1.00 0.00 H new ATOM 1145 N VAL A 75 -4.776 -14.830 1.989 1.00 0.00 N ATOM 1146 CA VAL A 75 -4.471 -13.570 1.322 1.00 0.00 C ATOM 1147 C VAL A 75 -3.040 -13.135 1.667 1.00 0.00 C ATOM 1148 O VAL A 75 -2.822 -12.489 2.692 1.00 0.00 O ATOM 1149 CB VAL A 75 -5.486 -12.493 1.811 1.00 0.00 C ATOM 1150 CG1 VAL A 75 -5.426 -12.373 3.326 1.00 0.00 C ATOM 1151 CG2 VAL A 75 -5.292 -11.118 1.163 1.00 0.00 C ATOM 0 H VAL A 75 -4.995 -14.737 2.981 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.549 -13.690 0.241 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.472 -12.837 1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.138 -11.618 3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.676 -13.333 3.777 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.420 -12.081 3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.035 -10.423 1.554 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.293 -10.746 1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.410 -11.205 0.083 1.00 0.00 H new ATOM 1161 N ARG A 76 -2.050 -13.488 0.824 1.00 0.00 N ATOM 1162 CA ARG A 76 -0.670 -13.106 1.106 1.00 0.00 C ATOM 1163 C ARG A 76 -0.417 -11.638 0.762 1.00 0.00 C ATOM 1164 O ARG A 76 0.182 -10.909 1.552 1.00 0.00 O ATOM 1165 CB ARG A 76 0.316 -14.014 0.358 1.00 0.00 C ATOM 1166 CG ARG A 76 1.621 -14.234 1.104 1.00 0.00 C ATOM 1167 CD ARG A 76 1.399 -14.976 2.412 1.00 0.00 C ATOM 1168 NE ARG A 76 2.653 -15.235 3.115 1.00 0.00 N ATOM 1169 CZ ARG A 76 3.202 -14.395 3.992 1.00 0.00 C ATOM 1170 NH1 ARG A 76 2.617 -13.238 4.275 1.00 0.00 N ATOM 1171 NH2 ARG A 76 4.344 -14.714 4.586 1.00 0.00 N ATOM 0 H ARG A 76 -2.183 -14.023 -0.034 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.507 -13.232 2.176 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.157 -14.979 0.176 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.533 -13.577 -0.617 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.309 -14.800 0.476 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.092 -13.272 1.306 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.739 -14.392 3.053 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.894 -15.921 2.211 1.00 0.00 H new ATOM 0 HE ARG A 76 3.138 -16.112 2.923 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.740 -12.985 3.820 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.045 -12.601 4.948 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.800 -15.601 4.371 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.766 -14.073 5.258 1.00 0.00 H new ATOM 1185 N VAL A 77 -0.884 -11.196 -0.405 1.00 0.00 N ATOM 1186 CA VAL A 77 -0.704 -9.810 -0.809 1.00 0.00 C ATOM 1187 C VAL A 77 -2.042 -9.210 -1.258 1.00 0.00 C ATOM 1188 O VAL A 77 -2.720 -9.774 -2.116 1.00 0.00 O ATOM 1189 CB VAL A 77 0.343 -9.704 -1.953 1.00 0.00 C ATOM 1190 CG1 VAL A 77 1.527 -10.617 -1.677 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -0.271 -10.038 -3.300 1.00 0.00 C ATOM 0 H VAL A 77 -1.385 -11.775 -1.079 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.336 -9.247 0.048 1.00 0.00 H new ATOM 0 HB VAL A 77 0.691 -8.672 -1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.250 -10.530 -2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.998 -10.328 -0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.182 -11.649 -1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.489 -9.954 -4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.659 -11.056 -3.281 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.084 -9.344 -3.511 1.00 0.00 H new ATOM 1201 N PRO A 78 -2.453 -8.065 -0.674 1.00 0.00 N ATOM 1202 CA PRO A 78 -3.729 -7.408 -1.016 1.00 0.00 C ATOM 1203 C PRO A 78 -3.875 -6.971 -2.449 1.00 0.00 C ATOM 1204 O PRO A 78 -3.827 -5.763 -2.698 1.00 0.00 O ATOM 1205 CB PRO A 78 -3.707 -6.144 -0.149 1.00 0.00 C ATOM 1206 CG PRO A 78 -2.854 -6.506 0.998 1.00 0.00 C ATOM 1207 CD PRO A 78 -1.746 -7.311 0.394 1.00 0.00 C ATOM 0 HA PRO A 78 -4.548 -8.109 -0.854 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -3.299 -5.293 -0.695 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.710 -5.865 0.173 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.472 -5.620 1.505 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.407 -7.083 1.739 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.956 -6.678 -0.009 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.281 -7.976 1.122 1.00 0.00 H new ATOM 1215 N THR A 79 -4.145 -7.858 -3.421 1.00 0.00 N ATOM 1216 CA THR A 79 -4.363 -7.257 -4.701 1.00 0.00 C ATOM 1217 C THR A 79 -5.865 -7.211 -4.947 1.00 0.00 C ATOM 1218 O THR A 79 -6.513 -8.186 -5.327 1.00 0.00 O ATOM 1219 CB THR A 79 -3.659 -8.084 -5.809 1.00 0.00 C ATOM 1220 OG1 THR A 79 -4.544 -9.031 -6.379 1.00 0.00 O ATOM 1221 CG2 THR A 79 -2.450 -8.848 -5.317 1.00 0.00 C ATOM 0 H THR A 79 -4.209 -8.873 -3.347 1.00 0.00 H new ATOM 0 HA THR A 79 -3.948 -6.249 -4.722 1.00 0.00 H new ATOM 0 HB THR A 79 -3.337 -7.345 -6.543 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.208 -9.301 -5.711 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.009 -9.403 -6.145 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.716 -8.149 -4.917 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.753 -9.544 -4.534 1.00 0.00 H new ATOM 1229 N ILE A 80 -6.348 -5.992 -4.807 1.00 0.00 N ATOM 1230 CA ILE A 80 -7.704 -5.578 -5.066 1.00 0.00 C ATOM 1231 C ILE A 80 -7.557 -4.406 -6.028 1.00 0.00 C ATOM 1232 O ILE A 80 -6.573 -3.699 -5.890 1.00 0.00 O ATOM 1233 CB ILE A 80 -8.396 -5.195 -3.726 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -8.554 -6.445 -2.857 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -9.757 -4.535 -3.911 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -7.318 -6.809 -2.065 1.00 0.00 C ATOM 0 H ILE A 80 -5.763 -5.219 -4.489 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.335 -6.353 -5.502 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.752 -4.460 -3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.383 -6.291 -2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.824 -7.286 -3.496 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -10.181 -4.295 -2.936 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.642 -3.620 -4.491 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.424 -5.217 -4.438 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -7.514 -7.705 -1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.490 -6.997 -2.749 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.058 -5.987 -1.398 1.00 0.00 H new ATOM 1248 N PHE A 81 -8.422 -4.186 -7.010 1.00 0.00 N ATOM 1249 CA PHE A 81 -8.218 -3.044 -7.921 1.00 0.00 C ATOM 1250 C PHE A 81 -6.927 -3.221 -8.714 1.00 0.00 C ATOM 1251 O PHE A 81 -6.351 -4.328 -8.665 1.00 0.00 O ATOM 1252 CB PHE A 81 -8.176 -1.679 -7.158 1.00 0.00 C ATOM 1253 CG PHE A 81 -7.413 -1.695 -5.844 1.00 0.00 C ATOM 1254 CD1 PHE A 81 -6.023 -1.566 -5.808 1.00 0.00 C ATOM 1255 CD2 PHE A 81 -8.084 -1.898 -4.647 1.00 0.00 C ATOM 1256 CE1 PHE A 81 -5.335 -1.640 -4.607 1.00 0.00 C ATOM 1257 CE2 PHE A 81 -7.398 -1.986 -3.449 1.00 0.00 C ATOM 1258 CZ PHE A 81 -6.023 -1.857 -3.426 1.00 0.00 C ATOM 1259 OXT PHE A 81 -6.506 -2.251 -9.378 1.00 0.00 O ATOM 0 H PHE A 81 -9.247 -4.755 -7.201 1.00 0.00 H new ATOM 0 HA PHE A 81 -9.070 -3.023 -8.600 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -7.728 -0.930 -7.811 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.199 -1.359 -6.962 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.478 -1.407 -6.727 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -9.160 -1.989 -4.650 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -4.261 -1.528 -4.593 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.939 -2.156 -2.530 1.00 0.00 H new ATOM 0 HZ PHE A 81 -5.487 -1.925 -2.491 1.00 0.00 H new TER 1269 PHE A 81 HETATM 1270 ZN ZN A 82 -4.970 2.055 -1.053 1.00 0.00 ZN