USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 772 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 3 LYS NZ :NH3+ -165:sc= 0.0239 (180deg=0) USER MOD Set 1.2: A 5 ASN : amide:sc= -0.157 K(o=-0.13,f=-1.2) USER MOD Single : A 1 MET CE :methyl 177:sc= -0.21 (180deg=-0.239) USER MOD Single : A 1 MET N :NH3+ -172:sc= -0.909 (180deg=-1.04) USER MOD Single : A 7 LYS NZ :NH3+ 148:sc= -2.53! (180deg=-3.01!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.227 K(o=-0.23,f=0.29) USER MOD Single : A 25 SER OG : rot -110:sc= 1.14 USER MOD Single : A 28 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.7!) USER MOD Single : A 33 THR OG1 : rot 99:sc= 0.183 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.527 K(o=-0.53,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.454 K(o=-0.45,f=-1.9) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 148:sc= -0.282 (180deg=-1.38!) USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= -0.0285 (180deg=-0.256) USER MOD Single : A 59 CYS SG : rot -100:sc= -1.04 USER MOD Single : A 60 HIS : no HD1:sc= -3.47! K(o=-3.5!,f=-2.9) USER MOD Single : A 62 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0227) USER MOD Single : A 69 TYR OH : rot 165:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -78:sc= 1.17 USER MOD Single : A 84 HIS : no HD1:sc= -0.466 X(o=-0.47,f=-0.64) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.008 -1.734 11.421 1.00 0.00 N ATOM 2 CA MET A 1 -10.356 -2.142 11.898 1.00 0.00 C ATOM 3 C MET A 1 -11.317 -2.370 10.734 1.00 0.00 C ATOM 4 O MET A 1 -12.531 -2.425 10.922 1.00 0.00 O ATOM 5 CB MET A 1 -10.895 -1.046 12.818 1.00 0.00 C ATOM 6 CG MET A 1 -12.047 -1.503 13.699 1.00 0.00 C ATOM 7 SD MET A 1 -13.290 -0.218 13.940 1.00 0.00 S ATOM 8 CE MET A 1 -14.041 -0.163 12.316 1.00 0.00 C ATOM 0 H1 MET A 1 -8.346 -1.719 12.223 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.672 -2.412 10.707 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.062 -0.785 10.999 1.00 0.00 H new ATOM 0 HA MET A 1 -10.271 -3.085 12.438 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.085 -0.684 13.452 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.225 -0.203 12.211 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.517 -2.378 13.251 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.657 -1.812 14.669 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.866 0.549 12.321 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.298 0.148 11.582 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.417 -1.152 12.055 1.00 0.00 H new ATOM 20 N LEU A 2 -10.766 -2.501 9.529 1.00 0.00 N ATOM 21 CA LEU A 2 -11.579 -2.723 8.339 1.00 0.00 C ATOM 22 C LEU A 2 -11.052 -3.906 7.533 1.00 0.00 C ATOM 23 O LEU A 2 -9.888 -4.286 7.660 1.00 0.00 O ATOM 24 CB LEU A 2 -11.605 -1.465 7.463 1.00 0.00 C ATOM 25 CG LEU A 2 -10.334 -0.613 7.510 1.00 0.00 C ATOM 26 CD1 LEU A 2 -10.224 0.254 6.264 1.00 0.00 C ATOM 27 CD2 LEU A 2 -10.319 0.249 8.765 1.00 0.00 C ATOM 0 H LEU A 2 -9.762 -2.457 9.353 1.00 0.00 H new ATOM 0 HA LEU A 2 -12.595 -2.949 8.664 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.785 -1.764 6.430 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -12.449 -0.847 7.768 1.00 0.00 H new ATOM 0 HG LEU A 2 -9.472 -1.280 7.539 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.314 0.852 6.316 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.190 -0.382 5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -11.089 0.914 6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.409 0.849 8.784 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -11.188 0.907 8.765 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -10.350 -0.391 9.647 1.00 0.00 H new ATOM 39 N LYS A 3 -11.917 -4.485 6.707 1.00 0.00 N ATOM 40 CA LYS A 3 -11.539 -5.625 5.881 1.00 0.00 C ATOM 41 C LYS A 3 -10.384 -5.268 4.951 1.00 0.00 C ATOM 42 O LYS A 3 -10.216 -4.109 4.571 1.00 0.00 O ATOM 43 CB LYS A 3 -12.738 -6.105 5.060 1.00 0.00 C ATOM 44 CG LYS A 3 -12.726 -7.599 4.781 1.00 0.00 C ATOM 45 CD LYS A 3 -12.153 -7.906 3.407 1.00 0.00 C ATOM 46 CE LYS A 3 -12.979 -7.268 2.303 1.00 0.00 C ATOM 47 NZ LYS A 3 -12.751 -7.926 0.985 1.00 0.00 N ATOM 0 H LYS A 3 -12.885 -4.183 6.592 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.213 -6.427 6.543 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -13.656 -5.850 5.590 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -12.757 -5.567 4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -12.137 -8.108 5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.741 -7.991 4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.127 -7.543 3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.118 -8.985 3.259 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.036 -7.328 2.560 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.729 -6.210 2.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.122 -7.320 0.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -11.731 -8.074 0.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -13.240 -8.844 0.966 1.00 0.00 H new ATOM 61 N LEU A 4 -9.595 -6.272 4.584 1.00 0.00 N ATOM 62 CA LEU A 4 -8.457 -6.065 3.696 1.00 0.00 C ATOM 63 C LEU A 4 -8.497 -7.046 2.529 1.00 0.00 C ATOM 64 O LEU A 4 -8.808 -8.224 2.705 1.00 0.00 O ATOM 65 CB LEU A 4 -7.145 -6.224 4.466 1.00 0.00 C ATOM 66 CG LEU A 4 -5.878 -6.001 3.637 1.00 0.00 C ATOM 67 CD1 LEU A 4 -4.821 -5.278 4.458 1.00 0.00 C ATOM 68 CD2 LEU A 4 -5.341 -7.328 3.121 1.00 0.00 C ATOM 0 H LEU A 4 -9.723 -7.237 4.888 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.515 -5.051 3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.143 -5.523 5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.110 -7.227 4.892 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.132 -5.375 2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.928 -5.129 3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.208 -4.311 4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.569 -5.876 5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.440 -7.152 2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.104 -7.977 3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.094 -7.807 2.495 1.00 0.00 H new ATOM 80 N ASN A 5 -8.182 -6.552 1.334 1.00 0.00 N ATOM 81 CA ASN A 5 -8.185 -7.386 0.140 1.00 0.00 C ATOM 82 C ASN A 5 -6.801 -7.430 -0.499 1.00 0.00 C ATOM 83 O ASN A 5 -5.862 -6.796 -0.016 1.00 0.00 O ATOM 84 CB ASN A 5 -9.211 -6.864 -0.870 1.00 0.00 C ATOM 85 CG ASN A 5 -10.052 -7.975 -1.467 1.00 0.00 C ATOM 86 OD1 ASN A 5 -10.363 -8.961 -0.798 1.00 0.00 O ATOM 87 ND2 ASN A 5 -10.424 -7.821 -2.732 1.00 0.00 N ATOM 0 H ASN A 5 -7.922 -5.580 1.169 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.459 -8.399 0.436 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.864 -6.141 -0.380 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.693 -6.335 -1.670 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.991 -8.536 -3.188 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.143 -6.987 -3.248 1.00 0.00 H new ATOM 94 N LEU A 6 -6.681 -8.181 -1.590 1.00 0.00 N ATOM 95 CA LEU A 6 -5.412 -8.308 -2.297 1.00 0.00 C ATOM 96 C LEU A 6 -5.641 -8.475 -3.797 1.00 0.00 C ATOM 97 O LEU A 6 -6.329 -9.399 -4.230 1.00 0.00 O ATOM 98 CB LEU A 6 -4.618 -9.499 -1.755 1.00 0.00 C ATOM 99 CG LEU A 6 -3.959 -9.271 -0.391 1.00 0.00 C ATOM 100 CD1 LEU A 6 -4.534 -10.220 0.649 1.00 0.00 C ATOM 101 CD2 LEU A 6 -2.450 -9.441 -0.491 1.00 0.00 C ATOM 0 H LEU A 6 -7.448 -8.711 -2.003 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.840 -7.395 -2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.285 -10.358 -1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.844 -9.759 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.171 -8.249 -0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.052 -10.041 1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.607 -10.050 0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.356 -11.250 0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.000 -9.275 0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.219 -10.451 -0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.049 -8.719 -1.202 1.00 0.00 H new ATOM 113 N LYS A 7 -5.057 -7.577 -4.584 1.00 0.00 N ATOM 114 CA LYS A 7 -5.199 -7.626 -6.034 1.00 0.00 C ATOM 115 C LYS A 7 -3.938 -8.186 -6.685 1.00 0.00 C ATOM 116 O LYS A 7 -2.907 -8.344 -6.032 1.00 0.00 O ATOM 117 CB LYS A 7 -5.496 -6.230 -6.586 1.00 0.00 C ATOM 118 CG LYS A 7 -6.968 -5.853 -6.530 1.00 0.00 C ATOM 119 CD LYS A 7 -7.470 -5.359 -7.877 1.00 0.00 C ATOM 120 CE LYS A 7 -8.978 -5.162 -7.871 1.00 0.00 C ATOM 121 NZ LYS A 7 -9.432 -4.372 -6.692 1.00 0.00 N ATOM 0 H LYS A 7 -4.482 -6.807 -4.242 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.033 -8.287 -6.271 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.920 -5.496 -6.023 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.155 -6.177 -7.620 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.554 -6.717 -6.217 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.117 -5.078 -5.779 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.980 -4.418 -8.126 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.199 -6.075 -8.653 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.281 -4.654 -8.787 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.471 -6.134 -7.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.268 -3.811 -6.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.676 -5.018 -5.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.669 -3.735 -6.386 1.00 0.00 H new ATOM 135 N LYS A 8 -4.029 -8.484 -7.978 1.00 0.00 N ATOM 136 CA LYS A 8 -2.896 -9.026 -8.719 1.00 0.00 C ATOM 137 C LYS A 8 -1.770 -8.001 -8.816 1.00 0.00 C ATOM 138 O LYS A 8 -0.599 -8.332 -8.635 1.00 0.00 O ATOM 139 CB LYS A 8 -3.332 -9.456 -10.120 1.00 0.00 C ATOM 140 CG LYS A 8 -2.209 -10.054 -10.951 1.00 0.00 C ATOM 141 CD LYS A 8 -2.745 -11.009 -12.006 1.00 0.00 C ATOM 142 CE LYS A 8 -1.936 -10.933 -13.292 1.00 0.00 C ATOM 143 NZ LYS A 8 -2.792 -10.621 -14.469 1.00 0.00 N ATOM 0 H LYS A 8 -4.875 -8.359 -8.533 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.525 -9.898 -8.180 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.136 -10.186 -10.033 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.741 -8.593 -10.645 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.647 -9.255 -11.434 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.514 -10.583 -10.299 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.722 -12.028 -11.620 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.788 -10.771 -12.217 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.165 -10.169 -13.191 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.425 -11.882 -13.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.203 -10.578 -15.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.512 -11.363 -14.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.260 -9.704 -14.324 1.00 0.00 H new ATOM 157 N SER A 9 -2.135 -6.756 -9.105 1.00 0.00 N ATOM 158 CA SER A 9 -1.156 -5.681 -9.227 1.00 0.00 C ATOM 159 C SER A 9 -0.364 -5.515 -7.935 1.00 0.00 C ATOM 160 O SER A 9 0.797 -5.107 -7.956 1.00 0.00 O ATOM 161 CB SER A 9 -1.853 -4.368 -9.585 1.00 0.00 C ATOM 162 OG SER A 9 -2.638 -4.508 -10.756 1.00 0.00 O ATOM 0 H SER A 9 -3.101 -6.466 -9.259 1.00 0.00 H new ATOM 0 HA SER A 9 -0.461 -5.945 -10.024 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.485 -4.051 -8.756 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.108 -3.587 -9.735 1.00 0.00 H new ATOM 0 HG SER A 9 -3.074 -3.655 -10.962 1.00 0.00 H new ATOM 168 N PHE A 10 -0.998 -5.834 -6.811 1.00 0.00 N ATOM 169 CA PHE A 10 -0.349 -5.720 -5.511 1.00 0.00 C ATOM 170 C PHE A 10 0.614 -6.879 -5.279 1.00 0.00 C ATOM 171 O PHE A 10 1.716 -6.689 -4.764 1.00 0.00 O ATOM 172 CB PHE A 10 -1.395 -5.679 -4.395 1.00 0.00 C ATOM 173 CG PHE A 10 -0.833 -5.270 -3.064 1.00 0.00 C ATOM 174 CD1 PHE A 10 -0.364 -3.982 -2.862 1.00 0.00 C ATOM 175 CD2 PHE A 10 -0.771 -6.174 -2.016 1.00 0.00 C ATOM 176 CE1 PHE A 10 0.156 -3.603 -1.639 1.00 0.00 C ATOM 177 CE2 PHE A 10 -0.252 -5.801 -0.790 1.00 0.00 C ATOM 178 CZ PHE A 10 0.212 -4.514 -0.602 1.00 0.00 C ATOM 0 H PHE A 10 -1.959 -6.173 -6.775 1.00 0.00 H new ATOM 0 HA PHE A 10 0.220 -4.791 -5.499 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.187 -4.985 -4.675 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.853 -6.664 -4.300 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.405 -3.266 -3.670 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.132 -7.182 -2.158 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.518 -2.596 -1.494 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.210 -6.515 0.019 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.618 -4.220 0.355 1.00 0.00 H new ATOM 188 N GLN A 11 0.191 -8.078 -5.661 1.00 0.00 N ATOM 189 CA GLN A 11 1.017 -9.270 -5.495 1.00 0.00 C ATOM 190 C GLN A 11 2.340 -9.121 -6.236 1.00 0.00 C ATOM 191 O GLN A 11 3.403 -9.438 -5.700 1.00 0.00 O ATOM 192 CB GLN A 11 0.272 -10.507 -5.998 1.00 0.00 C ATOM 193 CG GLN A 11 -0.903 -10.908 -5.120 1.00 0.00 C ATOM 194 CD GLN A 11 -1.435 -12.289 -5.451 1.00 0.00 C ATOM 195 OE1 GLN A 11 -0.787 -13.299 -5.175 1.00 0.00 O ATOM 196 NE2 GLN A 11 -2.622 -12.339 -6.044 1.00 0.00 N ATOM 0 H GLN A 11 -0.719 -8.252 -6.088 1.00 0.00 H new ATOM 0 HA GLN A 11 1.228 -9.391 -4.433 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.089 -10.318 -7.009 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.970 -11.342 -6.060 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.596 -10.882 -4.075 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.704 -10.177 -5.235 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.124 -11.476 -6.254 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.032 -13.240 -6.289 1.00 0.00 H new ATOM 205 N LYS A 12 2.271 -8.635 -7.472 1.00 0.00 N ATOM 206 CA LYS A 12 3.466 -8.443 -8.283 1.00 0.00 C ATOM 207 C LYS A 12 4.267 -7.243 -7.788 1.00 0.00 C ATOM 208 O LYS A 12 5.484 -7.309 -7.649 1.00 0.00 O ATOM 209 CB LYS A 12 3.083 -8.247 -9.753 1.00 0.00 C ATOM 210 CG LYS A 12 2.084 -9.273 -10.262 1.00 0.00 C ATOM 211 CD LYS A 12 2.642 -10.686 -10.180 1.00 0.00 C ATOM 212 CE LYS A 12 2.749 -11.327 -11.554 1.00 0.00 C ATOM 213 NZ LYS A 12 2.495 -12.793 -11.506 1.00 0.00 N ATOM 0 H LYS A 12 1.401 -8.368 -7.932 1.00 0.00 H new ATOM 0 HA LYS A 12 4.087 -9.334 -8.194 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.664 -7.249 -9.881 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.984 -8.295 -10.364 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.166 -9.209 -9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.821 -9.044 -11.295 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.626 -10.662 -9.711 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.000 -11.295 -9.543 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.035 -10.857 -12.230 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.743 -11.144 -11.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.578 -13.191 -12.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.192 -13.246 -10.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.537 -12.968 -11.140 1.00 0.00 H new ATOM 227 N ASP A 13 3.573 -6.147 -7.513 1.00 0.00 N ATOM 228 CA ASP A 13 4.221 -4.932 -7.025 1.00 0.00 C ATOM 229 C ASP A 13 5.157 -5.242 -5.860 1.00 0.00 C ATOM 230 O ASP A 13 6.120 -4.523 -5.620 1.00 0.00 O ATOM 231 CB ASP A 13 3.172 -3.906 -6.595 1.00 0.00 C ATOM 232 CG ASP A 13 2.774 -2.980 -7.727 1.00 0.00 C ATOM 233 OD1 ASP A 13 2.468 -3.484 -8.828 1.00 0.00 O ATOM 234 OD2 ASP A 13 2.769 -1.749 -7.514 1.00 0.00 O ATOM 0 H ASP A 13 2.561 -6.072 -7.619 1.00 0.00 H new ATOM 0 HA ASP A 13 4.813 -4.515 -7.840 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.288 -4.426 -6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.563 -3.316 -5.766 1.00 0.00 H new ATOM 239 N PHE A 14 4.867 -6.327 -5.151 1.00 0.00 N ATOM 240 CA PHE A 14 5.674 -6.766 -4.025 1.00 0.00 C ATOM 241 C PHE A 14 6.740 -7.744 -4.510 1.00 0.00 C ATOM 242 O PHE A 14 7.922 -7.411 -4.585 1.00 0.00 O ATOM 243 CB PHE A 14 4.773 -7.422 -2.972 1.00 0.00 C ATOM 244 CG PHE A 14 5.511 -8.063 -1.833 1.00 0.00 C ATOM 245 CD1 PHE A 14 6.130 -7.288 -0.865 1.00 0.00 C ATOM 246 CD2 PHE A 14 5.579 -9.443 -1.726 1.00 0.00 C ATOM 247 CE1 PHE A 14 6.804 -7.878 0.188 1.00 0.00 C ATOM 248 CE2 PHE A 14 6.252 -10.038 -0.677 1.00 0.00 C ATOM 249 CZ PHE A 14 6.865 -9.255 0.282 1.00 0.00 C ATOM 0 H PHE A 14 4.064 -6.926 -5.343 1.00 0.00 H new ATOM 0 HA PHE A 14 6.171 -5.909 -3.571 1.00 0.00 H new ATOM 0 HB2 PHE A 14 4.096 -6.668 -2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.156 -8.177 -3.459 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.085 -6.211 -0.934 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.100 -10.060 -2.472 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.282 -7.263 0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.299 -11.115 -0.606 1.00 0.00 H new ATOM 0 HZ PHE A 14 7.391 -9.718 1.104 1.00 0.00 H new ATOM 259 N ASP A 15 6.292 -8.951 -4.854 1.00 0.00 N ATOM 260 CA ASP A 15 7.170 -10.007 -5.352 1.00 0.00 C ATOM 261 C ASP A 15 8.045 -9.508 -6.495 1.00 0.00 C ATOM 262 O ASP A 15 9.247 -9.768 -6.530 1.00 0.00 O ATOM 263 CB ASP A 15 6.338 -11.200 -5.827 1.00 0.00 C ATOM 264 CG ASP A 15 7.160 -12.469 -5.942 1.00 0.00 C ATOM 265 OD1 ASP A 15 7.852 -12.636 -6.969 1.00 0.00 O ATOM 266 OD2 ASP A 15 7.111 -13.294 -5.007 1.00 0.00 O ATOM 0 H ASP A 15 5.311 -9.223 -4.795 1.00 0.00 H new ATOM 0 HA ASP A 15 7.819 -10.315 -4.533 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.515 -11.365 -5.132 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.895 -10.968 -6.796 1.00 0.00 H new ATOM 271 N LYS A 16 7.434 -8.789 -7.432 1.00 0.00 N ATOM 272 CA LYS A 16 8.165 -8.259 -8.577 1.00 0.00 C ATOM 273 C LYS A 16 9.063 -7.093 -8.172 1.00 0.00 C ATOM 274 O LYS A 16 9.941 -6.685 -8.933 1.00 0.00 O ATOM 275 CB LYS A 16 7.191 -7.812 -9.669 1.00 0.00 C ATOM 276 CG LYS A 16 7.609 -8.236 -11.069 1.00 0.00 C ATOM 277 CD LYS A 16 6.699 -9.325 -11.620 1.00 0.00 C ATOM 278 CE LYS A 16 7.495 -10.505 -12.158 1.00 0.00 C ATOM 279 NZ LYS A 16 7.084 -10.865 -13.543 1.00 0.00 N ATOM 0 H LYS A 16 6.440 -8.561 -7.421 1.00 0.00 H new ATOM 0 HA LYS A 16 8.798 -9.057 -8.965 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.204 -8.222 -9.454 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.099 -6.726 -9.640 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.587 -7.372 -11.733 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.638 -8.596 -11.049 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.025 -9.668 -10.835 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.078 -8.912 -12.415 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.558 -10.262 -12.146 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.357 -11.365 -11.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.649 -11.673 -13.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.076 -11.121 -13.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.239 -10.053 -14.173 1.00 0.00 H new ATOM 293 N LEU A 17 8.853 -6.562 -6.968 1.00 0.00 N ATOM 294 CA LEU A 17 9.664 -5.453 -6.483 1.00 0.00 C ATOM 295 C LEU A 17 10.876 -5.974 -5.732 1.00 0.00 C ATOM 296 O LEU A 17 12.013 -5.610 -6.032 1.00 0.00 O ATOM 297 CB LEU A 17 8.851 -4.535 -5.567 1.00 0.00 C ATOM 298 CG LEU A 17 8.377 -3.227 -6.209 1.00 0.00 C ATOM 299 CD1 LEU A 17 7.699 -2.339 -5.174 1.00 0.00 C ATOM 300 CD2 LEU A 17 9.546 -2.498 -6.857 1.00 0.00 C ATOM 0 H LEU A 17 8.134 -6.880 -6.318 1.00 0.00 H new ATOM 0 HA LEU A 17 9.993 -4.878 -7.349 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.979 -5.083 -5.211 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.455 -4.294 -4.692 1.00 0.00 H new ATOM 0 HG LEU A 17 7.649 -3.467 -6.984 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.369 -1.415 -5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.838 -2.860 -4.756 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.404 -2.106 -4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.192 -1.571 -7.308 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.297 -2.270 -6.100 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.988 -3.131 -7.627 1.00 0.00 H new ATOM 312 N LEU A 18 10.622 -6.831 -4.749 1.00 0.00 N ATOM 313 CA LEU A 18 11.701 -7.402 -3.949 1.00 0.00 C ATOM 314 C LEU A 18 12.775 -8.025 -4.835 1.00 0.00 C ATOM 315 O LEU A 18 13.962 -7.992 -4.507 1.00 0.00 O ATOM 316 CB LEU A 18 11.142 -8.442 -2.991 1.00 0.00 C ATOM 317 CG LEU A 18 9.888 -7.991 -2.248 1.00 0.00 C ATOM 318 CD1 LEU A 18 8.768 -8.989 -2.446 1.00 0.00 C ATOM 319 CD2 LEU A 18 10.188 -7.787 -0.778 1.00 0.00 C ATOM 0 H LEU A 18 9.687 -7.144 -4.488 1.00 0.00 H new ATOM 0 HA LEU A 18 12.163 -6.598 -3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.914 -9.350 -3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.910 -8.700 -2.262 1.00 0.00 H new ATOM 0 HG LEU A 18 9.562 -7.036 -2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.881 -8.652 -1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.539 -9.073 -3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.076 -9.962 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.283 -7.465 -0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.539 -8.724 -0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.959 -7.025 -0.666 1.00 0.00 H new ATOM 331 N LEU A 19 12.351 -8.587 -5.962 1.00 0.00 N ATOM 332 CA LEU A 19 13.278 -9.209 -6.901 1.00 0.00 C ATOM 333 C LEU A 19 13.778 -8.201 -7.935 1.00 0.00 C ATOM 334 O LEU A 19 14.354 -8.583 -8.955 1.00 0.00 O ATOM 335 CB LEU A 19 12.607 -10.391 -7.604 1.00 0.00 C ATOM 336 CG LEU A 19 11.453 -10.021 -8.536 1.00 0.00 C ATOM 337 CD1 LEU A 19 11.981 -9.581 -9.892 1.00 0.00 C ATOM 338 CD2 LEU A 19 10.497 -11.195 -8.690 1.00 0.00 C ATOM 0 H LEU A 19 11.372 -8.625 -6.247 1.00 0.00 H new ATOM 0 HA LEU A 19 14.137 -9.570 -6.335 1.00 0.00 H new ATOM 0 HB2 LEU A 19 13.361 -10.927 -8.180 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.235 -11.081 -6.846 1.00 0.00 H new ATOM 0 HG LEU A 19 10.907 -9.187 -8.094 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.145 -9.322 -10.541 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.626 -8.711 -9.767 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.551 -10.394 -10.342 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.681 -10.915 -9.357 1.00 0.00 H new ATOM 0 HD22 LEU A 19 11.032 -12.047 -9.109 1.00 0.00 H new ATOM 0 HD23 LEU A 19 10.092 -11.465 -7.715 1.00 0.00 H new ATOM 350 N ASN A 20 13.553 -6.915 -7.675 1.00 0.00 N ATOM 351 CA ASN A 20 13.980 -5.863 -8.590 1.00 0.00 C ATOM 352 C ASN A 20 14.881 -4.847 -7.890 1.00 0.00 C ATOM 353 O ASN A 20 15.146 -3.770 -8.427 1.00 0.00 O ATOM 354 CB ASN A 20 12.760 -5.158 -9.189 1.00 0.00 C ATOM 355 CG ASN A 20 12.655 -5.354 -10.688 1.00 0.00 C ATOM 356 OD1 ASN A 20 11.589 -5.676 -11.212 1.00 0.00 O ATOM 357 ND2 ASN A 20 13.768 -5.160 -11.388 1.00 0.00 N ATOM 0 H ASN A 20 13.077 -6.578 -6.838 1.00 0.00 H new ATOM 0 HA ASN A 20 14.556 -6.328 -9.390 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.856 -5.536 -8.712 1.00 0.00 H new ATOM 0 HB3 ASN A 20 12.815 -4.092 -8.968 1.00 0.00 H new ATOM 0 HD21 ASN A 20 13.760 -5.277 -12.401 1.00 0.00 H new ATOM 0 HD22 ASN A 20 14.630 -4.894 -10.912 1.00 0.00 H new ATOM 364 N GLY A 21 15.357 -5.192 -6.696 1.00 0.00 N ATOM 365 CA GLY A 21 16.226 -4.291 -5.959 1.00 0.00 C ATOM 366 C GLY A 21 15.511 -3.582 -4.825 1.00 0.00 C ATOM 367 O GLY A 21 15.877 -2.464 -4.457 1.00 0.00 O ATOM 0 H GLY A 21 15.157 -6.076 -6.228 1.00 0.00 H new ATOM 0 HA2 GLY A 21 17.068 -4.854 -5.556 1.00 0.00 H new ATOM 0 HA3 GLY A 21 16.637 -3.549 -6.644 1.00 0.00 H new ATOM 371 N PHE A 22 14.494 -4.228 -4.265 1.00 0.00 N ATOM 372 CA PHE A 22 13.733 -3.646 -3.165 1.00 0.00 C ATOM 373 C PHE A 22 13.996 -4.401 -1.866 1.00 0.00 C ATOM 374 O PHE A 22 13.704 -5.591 -1.757 1.00 0.00 O ATOM 375 CB PHE A 22 12.237 -3.661 -3.483 1.00 0.00 C ATOM 376 CG PHE A 22 11.388 -3.037 -2.412 1.00 0.00 C ATOM 377 CD1 PHE A 22 11.004 -3.770 -1.299 1.00 0.00 C ATOM 378 CD2 PHE A 22 10.975 -1.718 -2.517 1.00 0.00 C ATOM 379 CE1 PHE A 22 10.224 -3.198 -0.312 1.00 0.00 C ATOM 380 CE2 PHE A 22 10.194 -1.141 -1.534 1.00 0.00 C ATOM 381 CZ PHE A 22 9.818 -1.882 -0.430 1.00 0.00 C ATOM 0 H PHE A 22 14.178 -5.154 -4.554 1.00 0.00 H new ATOM 0 HA PHE A 22 14.058 -2.613 -3.039 1.00 0.00 H new ATOM 0 HB2 PHE A 22 12.068 -3.134 -4.422 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.917 -4.692 -3.634 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.318 -4.799 -1.203 1.00 0.00 H new ATOM 0 HD2 PHE A 22 11.267 -1.134 -3.377 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.932 -3.779 0.551 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.878 -0.113 -1.628 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.208 -1.433 0.340 1.00 0.00 H new ATOM 391 N ASP A 23 14.549 -3.698 -0.882 1.00 0.00 N ATOM 392 CA ASP A 23 14.853 -4.302 0.412 1.00 0.00 C ATOM 393 C ASP A 23 13.593 -4.872 1.055 1.00 0.00 C ATOM 394 O ASP A 23 12.634 -4.146 1.319 1.00 0.00 O ATOM 395 CB ASP A 23 15.493 -3.270 1.342 1.00 0.00 C ATOM 396 CG ASP A 23 16.593 -3.866 2.197 1.00 0.00 C ATOM 397 OD1 ASP A 23 16.282 -4.716 3.057 1.00 0.00 O ATOM 398 OD2 ASP A 23 17.766 -3.482 2.007 1.00 0.00 O ATOM 0 H ASP A 23 14.796 -2.711 -0.955 1.00 0.00 H new ATOM 0 HA ASP A 23 15.557 -5.118 0.248 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.901 -2.453 0.747 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.726 -2.842 1.988 1.00 0.00 H new ATOM 403 N ASP A 24 13.602 -6.177 1.306 1.00 0.00 N ATOM 404 CA ASP A 24 12.461 -6.847 1.920 1.00 0.00 C ATOM 405 C ASP A 24 12.252 -6.366 3.352 1.00 0.00 C ATOM 406 O ASP A 24 11.127 -6.342 3.851 1.00 0.00 O ATOM 407 CB ASP A 24 12.667 -8.363 1.904 1.00 0.00 C ATOM 408 CG ASP A 24 13.996 -8.772 2.507 1.00 0.00 C ATOM 409 OD1 ASP A 24 14.990 -8.853 1.755 1.00 0.00 O ATOM 410 OD2 ASP A 24 14.043 -9.012 3.731 1.00 0.00 O ATOM 0 H ASP A 24 14.387 -6.792 1.094 1.00 0.00 H new ATOM 0 HA ASP A 24 11.571 -6.600 1.341 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.858 -8.843 2.455 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.611 -8.724 0.877 1.00 0.00 H new ATOM 415 N SER A 25 13.341 -5.986 4.010 1.00 0.00 N ATOM 416 CA SER A 25 13.277 -5.507 5.388 1.00 0.00 C ATOM 417 C SER A 25 12.338 -4.310 5.512 1.00 0.00 C ATOM 418 O SER A 25 11.759 -4.071 6.572 1.00 0.00 O ATOM 419 CB SER A 25 14.673 -5.126 5.882 1.00 0.00 C ATOM 420 OG SER A 25 15.178 -4.008 5.173 1.00 0.00 O ATOM 0 H SER A 25 14.280 -6.000 3.612 1.00 0.00 H new ATOM 0 HA SER A 25 12.886 -6.315 6.006 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.635 -4.898 6.947 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.349 -5.973 5.761 1.00 0.00 H new ATOM 0 HG SER A 25 15.918 -4.293 4.597 1.00 0.00 H new ATOM 426 N VAL A 26 12.194 -3.558 4.426 1.00 0.00 N ATOM 427 CA VAL A 26 11.329 -2.384 4.417 1.00 0.00 C ATOM 428 C VAL A 26 9.855 -2.780 4.440 1.00 0.00 C ATOM 429 O VAL A 26 9.036 -2.125 5.083 1.00 0.00 O ATOM 430 CB VAL A 26 11.594 -1.500 3.183 1.00 0.00 C ATOM 431 CG1 VAL A 26 10.793 -0.209 3.265 1.00 0.00 C ATOM 432 CG2 VAL A 26 13.079 -1.204 3.047 1.00 0.00 C ATOM 0 H VAL A 26 12.665 -3.741 3.540 1.00 0.00 H new ATOM 0 HA VAL A 26 11.561 -1.817 5.318 1.00 0.00 H new ATOM 0 HB VAL A 26 11.271 -2.044 2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.994 0.401 2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.729 -0.443 3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.081 0.341 4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.247 -0.579 2.170 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.429 -0.682 3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.628 -2.139 2.936 1.00 0.00 H new ATOM 442 N LEU A 27 9.524 -3.854 3.729 1.00 0.00 N ATOM 443 CA LEU A 27 8.147 -4.332 3.667 1.00 0.00 C ATOM 444 C LEU A 27 7.628 -4.689 5.058 1.00 0.00 C ATOM 445 O LEU A 27 6.453 -4.495 5.363 1.00 0.00 O ATOM 446 CB LEU A 27 8.050 -5.544 2.732 1.00 0.00 C ATOM 447 CG LEU A 27 8.416 -6.896 3.358 1.00 0.00 C ATOM 448 CD1 LEU A 27 7.160 -7.659 3.754 1.00 0.00 C ATOM 449 CD2 LEU A 27 9.262 -7.720 2.397 1.00 0.00 C ATOM 0 H LEU A 27 10.189 -4.408 3.189 1.00 0.00 H new ATOM 0 HA LEU A 27 7.524 -3.530 3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.031 -5.605 2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.702 -5.372 1.875 1.00 0.00 H new ATOM 0 HG LEU A 27 9.003 -6.710 4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.439 -8.615 4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.593 -7.075 4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.546 -7.833 2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.511 -8.675 2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.702 -7.896 1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.179 -7.179 2.164 1.00 0.00 H new ATOM 461 N ASN A 28 8.516 -5.210 5.897 1.00 0.00 N ATOM 462 CA ASN A 28 8.152 -5.595 7.255 1.00 0.00 C ATOM 463 C ASN A 28 7.661 -4.392 8.060 1.00 0.00 C ATOM 464 O ASN A 28 7.011 -4.551 9.092 1.00 0.00 O ATOM 465 CB ASN A 28 9.347 -6.239 7.959 1.00 0.00 C ATOM 466 CG ASN A 28 8.942 -7.406 8.837 1.00 0.00 C ATOM 467 OD1 ASN A 28 7.760 -7.611 9.109 1.00 0.00 O ATOM 468 ND2 ASN A 28 9.925 -8.179 9.286 1.00 0.00 N ATOM 0 H ASN A 28 9.494 -5.376 5.660 1.00 0.00 H new ATOM 0 HA ASN A 28 7.338 -6.317 7.191 1.00 0.00 H new ATOM 0 HB2 ASN A 28 10.063 -6.581 7.212 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.854 -5.490 8.567 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.713 -8.980 9.881 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.892 -7.972 9.035 1.00 0.00 H new ATOM 475 N GLU A 29 7.979 -3.190 7.586 1.00 0.00 N ATOM 476 CA GLU A 29 7.571 -1.969 8.270 1.00 0.00 C ATOM 477 C GLU A 29 6.200 -1.497 7.793 1.00 0.00 C ATOM 478 O GLU A 29 5.412 -0.963 8.572 1.00 0.00 O ATOM 479 CB GLU A 29 8.608 -0.866 8.043 1.00 0.00 C ATOM 480 CG GLU A 29 9.946 -1.144 8.709 1.00 0.00 C ATOM 481 CD GLU A 29 10.902 0.030 8.608 1.00 0.00 C ATOM 482 OE1 GLU A 29 11.344 0.340 7.482 1.00 0.00 O ATOM 483 OE2 GLU A 29 11.209 0.636 9.655 1.00 0.00 O ATOM 0 H GLU A 29 8.517 -3.037 6.733 1.00 0.00 H new ATOM 0 HA GLU A 29 7.503 -2.189 9.335 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.764 -0.740 6.972 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.212 0.077 8.421 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.782 -1.385 9.759 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.402 -2.020 8.248 1.00 0.00 H new ATOM 490 N VAL A 30 5.924 -1.686 6.506 1.00 0.00 N ATOM 491 CA VAL A 30 4.650 -1.270 5.933 1.00 0.00 C ATOM 492 C VAL A 30 3.605 -2.382 5.998 1.00 0.00 C ATOM 493 O VAL A 30 2.408 -2.114 6.106 1.00 0.00 O ATOM 494 CB VAL A 30 4.816 -0.816 4.468 1.00 0.00 C ATOM 495 CG1 VAL A 30 5.284 -1.971 3.590 1.00 0.00 C ATOM 496 CG2 VAL A 30 3.517 -0.225 3.940 1.00 0.00 C ATOM 0 H VAL A 30 6.564 -2.123 5.843 1.00 0.00 H new ATOM 0 HA VAL A 30 4.302 -0.430 6.534 1.00 0.00 H new ATOM 0 HB VAL A 30 5.581 -0.040 4.437 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.393 -1.625 2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.244 -2.339 3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.550 -2.776 3.626 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.654 0.089 2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.729 -0.976 3.989 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.236 0.636 4.546 1.00 0.00 H new ATOM 506 N ILE A 31 4.060 -3.626 5.921 1.00 0.00 N ATOM 507 CA ILE A 31 3.158 -4.772 5.958 1.00 0.00 C ATOM 508 C ILE A 31 2.640 -5.037 7.372 1.00 0.00 C ATOM 509 O ILE A 31 1.440 -5.226 7.572 1.00 0.00 O ATOM 510 CB ILE A 31 3.842 -6.045 5.401 1.00 0.00 C ATOM 511 CG1 ILE A 31 3.770 -6.056 3.872 1.00 0.00 C ATOM 512 CG2 ILE A 31 3.202 -7.310 5.965 1.00 0.00 C ATOM 513 CD1 ILE A 31 4.306 -4.797 3.227 1.00 0.00 C ATOM 0 H ILE A 31 5.047 -3.868 5.833 1.00 0.00 H new ATOM 0 HA ILE A 31 2.308 -4.525 5.322 1.00 0.00 H new ATOM 0 HB ILE A 31 4.887 -6.029 5.711 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.331 -6.912 3.497 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.733 -6.196 3.567 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.704 -8.186 5.555 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.297 -7.313 7.051 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.147 -7.336 5.693 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.222 -4.879 2.143 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.730 -3.938 3.572 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.353 -4.665 3.501 1.00 0.00 H new ATOM 525 N LEU A 32 3.540 -5.059 8.349 1.00 0.00 N ATOM 526 CA LEU A 32 3.145 -5.314 9.731 1.00 0.00 C ATOM 527 C LEU A 32 2.086 -4.314 10.195 1.00 0.00 C ATOM 528 O LEU A 32 1.341 -4.587 11.130 1.00 0.00 O ATOM 529 CB LEU A 32 4.365 -5.286 10.666 1.00 0.00 C ATOM 530 CG LEU A 32 4.613 -3.965 11.402 1.00 0.00 C ATOM 531 CD1 LEU A 32 5.753 -4.115 12.397 1.00 0.00 C ATOM 532 CD2 LEU A 32 4.911 -2.851 10.411 1.00 0.00 C ATOM 0 H LEU A 32 4.539 -4.905 8.213 1.00 0.00 H new ATOM 0 HA LEU A 32 2.708 -6.312 9.772 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.249 -6.077 11.407 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.253 -5.526 10.081 1.00 0.00 H new ATOM 0 HG LEU A 32 3.710 -3.702 11.952 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.915 -3.167 12.910 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.500 -4.884 13.127 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.662 -4.401 11.868 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.085 -1.920 10.951 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.799 -3.106 9.833 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.063 -2.727 9.737 1.00 0.00 H new ATOM 544 N THR A 33 2.025 -3.156 9.539 1.00 0.00 N ATOM 545 CA THR A 33 1.052 -2.130 9.902 1.00 0.00 C ATOM 546 C THR A 33 -0.290 -2.373 9.214 1.00 0.00 C ATOM 547 O THR A 33 -1.337 -1.968 9.719 1.00 0.00 O ATOM 548 CB THR A 33 1.578 -0.741 9.535 1.00 0.00 C ATOM 549 OG1 THR A 33 2.789 -0.466 10.216 1.00 0.00 O ATOM 550 CG2 THR A 33 0.606 0.374 9.858 1.00 0.00 C ATOM 0 H THR A 33 2.634 -2.907 8.759 1.00 0.00 H new ATOM 0 HA THR A 33 0.901 -2.183 10.980 1.00 0.00 H new ATOM 0 HB THR A 33 1.729 -0.767 8.456 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.547 -0.637 9.618 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.042 1.331 9.572 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.322 0.219 9.307 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.396 0.376 10.928 1.00 0.00 H new ATOM 558 N LEU A 34 -0.251 -3.024 8.057 1.00 0.00 N ATOM 559 CA LEU A 34 -1.465 -3.307 7.298 1.00 0.00 C ATOM 560 C LEU A 34 -2.142 -4.584 7.790 1.00 0.00 C ATOM 561 O LEU A 34 -3.368 -4.691 7.774 1.00 0.00 O ATOM 562 CB LEU A 34 -1.134 -3.430 5.810 1.00 0.00 C ATOM 563 CG LEU A 34 -0.484 -2.192 5.192 1.00 0.00 C ATOM 564 CD1 LEU A 34 0.290 -2.564 3.937 1.00 0.00 C ATOM 565 CD2 LEU A 34 -1.535 -1.137 4.880 1.00 0.00 C ATOM 0 H LEU A 34 0.607 -3.366 7.624 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.158 -2.479 7.448 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.467 -4.281 5.670 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.052 -3.651 5.265 1.00 0.00 H new ATOM 0 HG LEU A 34 0.217 -1.775 5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.745 -1.670 3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.069 -3.283 4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.389 -3.007 3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.054 -0.263 4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.261 -1.544 4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.044 -0.847 5.799 1.00 0.00 H new ATOM 577 N ARG A 35 -1.340 -5.549 8.225 1.00 0.00 N ATOM 578 CA ARG A 35 -1.866 -6.817 8.718 1.00 0.00 C ATOM 579 C ARG A 35 -1.977 -6.817 10.242 1.00 0.00 C ATOM 580 O ARG A 35 -2.032 -7.876 10.867 1.00 0.00 O ATOM 581 CB ARG A 35 -0.976 -7.975 8.262 1.00 0.00 C ATOM 582 CG ARG A 35 -0.630 -7.934 6.783 1.00 0.00 C ATOM 583 CD ARG A 35 -0.421 -9.333 6.221 1.00 0.00 C ATOM 584 NE ARG A 35 -1.043 -9.496 4.908 1.00 0.00 N ATOM 585 CZ ARG A 35 -2.359 -9.552 4.714 1.00 0.00 C ATOM 586 NH1 ARG A 35 -3.195 -9.459 5.741 1.00 0.00 N ATOM 587 NH2 ARG A 35 -2.841 -9.703 3.488 1.00 0.00 N ATOM 0 H ARG A 35 -0.323 -5.478 8.246 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.865 -6.946 8.303 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.053 -7.963 8.842 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.479 -8.917 8.482 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.430 -7.436 6.235 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.274 -7.343 6.636 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.647 -9.536 6.144 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.836 -10.067 6.912 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.434 -9.571 4.094 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.830 -9.344 6.687 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.202 -9.503 5.584 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.204 -9.776 2.695 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.849 -9.746 3.338 1.00 0.00 H new ATOM 601 N LYS A 36 -2.005 -5.627 10.835 1.00 0.00 N ATOM 602 CA LYS A 36 -2.104 -5.500 12.286 1.00 0.00 C ATOM 603 C LYS A 36 -3.362 -4.748 12.693 1.00 0.00 C ATOM 604 O LYS A 36 -3.400 -4.111 13.746 1.00 0.00 O ATOM 605 CB LYS A 36 -0.885 -4.770 12.828 1.00 0.00 C ATOM 606 CG LYS A 36 0.198 -5.701 13.342 1.00 0.00 C ATOM 607 CD LYS A 36 0.032 -5.977 14.827 1.00 0.00 C ATOM 608 CE LYS A 36 1.187 -5.397 15.627 1.00 0.00 C ATOM 609 NZ LYS A 36 1.330 -6.055 16.956 1.00 0.00 N ATOM 0 H LYS A 36 -1.961 -4.739 10.335 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.152 -6.505 12.705 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.469 -4.140 12.042 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.197 -4.107 13.635 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.165 -6.640 12.790 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.177 -5.258 13.160 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.907 -5.548 15.176 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.026 -7.052 14.995 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.113 -5.513 15.063 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.030 -4.327 15.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.129 -5.630 17.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.456 -5.923 17.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.505 -7.071 16.823 1.00 0.00 H new ATOM 623 N LYS A 37 -4.381 -4.824 11.848 1.00 0.00 N ATOM 624 CA LYS A 37 -5.662 -4.154 12.094 1.00 0.00 C ATOM 625 C LYS A 37 -5.470 -2.808 12.792 1.00 0.00 C ATOM 626 O LYS A 37 -6.279 -2.412 13.632 1.00 0.00 O ATOM 627 CB LYS A 37 -6.596 -5.051 12.917 1.00 0.00 C ATOM 628 CG LYS A 37 -6.035 -5.478 14.270 1.00 0.00 C ATOM 629 CD LYS A 37 -6.743 -4.773 15.416 1.00 0.00 C ATOM 630 CE LYS A 37 -5.777 -4.424 16.537 1.00 0.00 C ATOM 631 NZ LYS A 37 -5.929 -5.334 17.706 1.00 0.00 N ATOM 0 H LYS A 37 -4.349 -5.349 10.974 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.121 -3.965 11.124 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.536 -4.524 13.078 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.827 -5.944 12.336 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.141 -6.557 14.385 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.968 -5.256 14.309 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.218 -3.864 15.047 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.536 -5.412 15.804 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.754 -4.479 16.165 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.946 -3.395 16.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.253 -5.062 18.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.898 -5.263 18.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.743 -6.313 17.410 1.00 0.00 H new ATOM 645 N GLU A 38 -4.396 -2.111 12.434 1.00 0.00 N ATOM 646 CA GLU A 38 -4.096 -0.810 13.020 1.00 0.00 C ATOM 647 C GLU A 38 -4.464 0.315 12.053 1.00 0.00 C ATOM 648 O GLU A 38 -4.125 0.261 10.872 1.00 0.00 O ATOM 649 CB GLU A 38 -2.613 -0.723 13.382 1.00 0.00 C ATOM 650 CG GLU A 38 -2.263 0.482 14.239 1.00 0.00 C ATOM 651 CD GLU A 38 -0.795 0.852 14.153 1.00 0.00 C ATOM 652 OE1 GLU A 38 0.038 -0.062 13.988 1.00 0.00 O ATOM 653 OE2 GLU A 38 -0.481 2.058 14.249 1.00 0.00 O ATOM 0 H GLU A 38 -3.718 -2.426 11.740 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.691 -0.697 13.926 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.324 -1.631 13.912 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.026 -0.688 12.464 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.867 1.333 13.926 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.521 0.272 15.277 1.00 0.00 H new ATOM 660 N PRO A 39 -5.168 1.352 12.540 1.00 0.00 N ATOM 661 CA PRO A 39 -5.578 2.484 11.705 1.00 0.00 C ATOM 662 C PRO A 39 -4.419 3.421 11.381 1.00 0.00 C ATOM 663 O PRO A 39 -3.594 3.725 12.241 1.00 0.00 O ATOM 664 CB PRO A 39 -6.616 3.198 12.568 1.00 0.00 C ATOM 665 CG PRO A 39 -6.217 2.888 13.969 1.00 0.00 C ATOM 666 CD PRO A 39 -5.623 1.505 13.937 1.00 0.00 C ATOM 0 HA PRO A 39 -5.956 2.159 10.736 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.614 4.272 12.384 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.623 2.840 12.354 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -5.493 3.615 14.338 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.077 2.927 14.637 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.796 1.408 14.640 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -6.359 0.747 14.204 1.00 0.00 H new ATOM 674 N LEU A 40 -4.365 3.876 10.133 1.00 0.00 N ATOM 675 CA LEU A 40 -3.310 4.779 9.693 1.00 0.00 C ATOM 676 C LEU A 40 -3.704 6.232 9.944 1.00 0.00 C ATOM 677 O LEU A 40 -4.828 6.640 9.648 1.00 0.00 O ATOM 678 CB LEU A 40 -3.013 4.568 8.207 1.00 0.00 C ATOM 679 CG LEU A 40 -2.388 3.216 7.859 1.00 0.00 C ATOM 680 CD1 LEU A 40 -2.881 2.732 6.505 1.00 0.00 C ATOM 681 CD2 LEU A 40 -0.869 3.313 7.874 1.00 0.00 C ATOM 0 H LEU A 40 -5.041 3.633 9.409 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.411 4.558 10.269 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.942 4.677 7.647 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.343 5.359 7.870 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.694 2.490 8.613 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.425 1.769 6.275 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.965 2.624 6.530 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.606 3.456 5.738 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.440 2.343 7.624 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.544 4.052 7.142 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.533 3.614 8.867 1.00 0.00 H new ATOM 693 N ASP A 41 -2.774 7.007 10.491 1.00 0.00 N ATOM 694 CA ASP A 41 -3.027 8.412 10.782 1.00 0.00 C ATOM 695 C ASP A 41 -3.334 9.189 9.504 1.00 0.00 C ATOM 696 O ASP A 41 -2.891 8.816 8.419 1.00 0.00 O ATOM 697 CB ASP A 41 -1.821 9.032 11.490 1.00 0.00 C ATOM 698 CG ASP A 41 -1.559 8.401 12.844 1.00 0.00 C ATOM 699 OD1 ASP A 41 -2.532 8.198 13.602 1.00 0.00 O ATOM 700 OD2 ASP A 41 -0.383 8.111 13.147 1.00 0.00 O ATOM 0 H ASP A 41 -1.839 6.686 10.741 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.896 8.469 11.437 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.937 8.919 10.862 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.988 10.102 11.617 1.00 0.00 H new ATOM 705 N PRO A 42 -4.103 10.286 9.619 1.00 0.00 N ATOM 706 CA PRO A 42 -4.468 11.118 8.467 1.00 0.00 C ATOM 707 C PRO A 42 -3.286 11.910 7.915 1.00 0.00 C ATOM 708 O PRO A 42 -3.388 12.535 6.859 1.00 0.00 O ATOM 709 CB PRO A 42 -5.526 12.067 9.037 1.00 0.00 C ATOM 710 CG PRO A 42 -5.215 12.151 10.490 1.00 0.00 C ATOM 711 CD PRO A 42 -4.673 10.801 10.878 1.00 0.00 C ATOM 0 HA PRO A 42 -4.818 10.516 7.629 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.475 13.048 8.564 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.533 11.684 8.869 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.485 12.936 10.688 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.108 12.393 11.067 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.916 10.881 11.658 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.457 10.148 11.261 1.00 0.00 H new ATOM 719 N GLN A 43 -2.164 11.879 8.630 1.00 0.00 N ATOM 720 CA GLN A 43 -0.968 12.598 8.204 1.00 0.00 C ATOM 721 C GLN A 43 -0.128 11.759 7.239 1.00 0.00 C ATOM 722 O GLN A 43 0.979 12.152 6.871 1.00 0.00 O ATOM 723 CB GLN A 43 -0.126 12.989 9.421 1.00 0.00 C ATOM 724 CG GLN A 43 0.418 11.796 10.191 1.00 0.00 C ATOM 725 CD GLN A 43 1.924 11.663 10.073 1.00 0.00 C ATOM 726 OE1 GLN A 43 2.673 12.189 10.896 1.00 0.00 O ATOM 727 NE2 GLN A 43 2.376 10.955 9.043 1.00 0.00 N ATOM 0 H GLN A 43 -2.059 11.365 9.505 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.288 13.499 7.681 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.707 13.610 9.092 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.732 13.598 10.091 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.147 11.893 11.242 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.053 10.885 9.823 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.719 10.536 8.385 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.380 10.830 8.911 1.00 0.00 H new ATOM 736 N PHE A 44 -0.654 10.606 6.831 1.00 0.00 N ATOM 737 CA PHE A 44 0.057 9.727 5.911 1.00 0.00 C ATOM 738 C PHE A 44 -0.277 10.058 4.456 1.00 0.00 C ATOM 739 O PHE A 44 0.098 9.321 3.544 1.00 0.00 O ATOM 740 CB PHE A 44 -0.288 8.266 6.205 1.00 0.00 C ATOM 741 CG PHE A 44 0.496 7.680 7.345 1.00 0.00 C ATOM 742 CD1 PHE A 44 1.879 7.633 7.299 1.00 0.00 C ATOM 743 CD2 PHE A 44 -0.153 7.176 8.461 1.00 0.00 C ATOM 744 CE1 PHE A 44 2.604 7.094 8.346 1.00 0.00 C ATOM 745 CE2 PHE A 44 0.566 6.636 9.510 1.00 0.00 C ATOM 746 CZ PHE A 44 1.946 6.596 9.453 1.00 0.00 C ATOM 0 H PHE A 44 -1.568 10.261 7.123 1.00 0.00 H new ATOM 0 HA PHE A 44 1.126 9.883 6.058 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.352 8.191 6.430 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.109 7.672 5.309 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.398 8.022 6.435 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -1.231 7.206 8.511 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.682 7.063 8.298 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.050 6.245 10.374 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.509 6.176 10.273 1.00 0.00 H new ATOM 756 N GLN A 45 -0.979 11.169 4.241 1.00 0.00 N ATOM 757 CA GLN A 45 -1.356 11.587 2.896 1.00 0.00 C ATOM 758 C GLN A 45 -2.172 10.505 2.194 1.00 0.00 C ATOM 759 O GLN A 45 -1.983 10.240 1.007 1.00 0.00 O ATOM 760 CB GLN A 45 -0.107 11.917 2.075 1.00 0.00 C ATOM 761 CG GLN A 45 0.916 12.748 2.829 1.00 0.00 C ATOM 762 CD GLN A 45 0.322 14.016 3.412 1.00 0.00 C ATOM 763 OE1 GLN A 45 -0.728 14.482 2.969 1.00 0.00 O ATOM 764 NE2 GLN A 45 0.992 14.579 4.409 1.00 0.00 N ATOM 0 H GLN A 45 -1.297 11.794 4.982 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.974 12.481 2.981 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.361 10.987 1.751 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.406 12.454 1.175 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.344 12.149 3.633 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.733 13.010 2.157 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.858 14.157 4.744 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.641 15.434 4.841 1.00 0.00 H new ATOM 773 N ASP A 46 -3.080 9.882 2.938 1.00 0.00 N ATOM 774 CA ASP A 46 -3.925 8.829 2.390 1.00 0.00 C ATOM 775 C ASP A 46 -5.186 9.413 1.759 1.00 0.00 C ATOM 776 O ASP A 46 -6.227 9.516 2.408 1.00 0.00 O ATOM 777 CB ASP A 46 -4.305 7.833 3.486 1.00 0.00 C ATOM 778 CG ASP A 46 -5.006 8.497 4.654 1.00 0.00 C ATOM 779 OD1 ASP A 46 -4.307 9.049 5.531 1.00 0.00 O ATOM 780 OD2 ASP A 46 -6.254 8.469 4.692 1.00 0.00 O ATOM 0 H ASP A 46 -3.249 10.089 3.922 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.360 8.311 1.615 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.954 7.065 3.066 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.406 7.330 3.844 1.00 0.00 H new ATOM 785 N HIS A 47 -5.084 9.794 0.489 1.00 0.00 N ATOM 786 CA HIS A 47 -6.217 10.365 -0.230 1.00 0.00 C ATOM 787 C HIS A 47 -6.274 9.842 -1.662 1.00 0.00 C ATOM 788 O HIS A 47 -5.526 8.939 -2.034 1.00 0.00 O ATOM 789 CB HIS A 47 -6.127 11.894 -0.232 1.00 0.00 C ATOM 790 CG HIS A 47 -7.156 12.554 0.634 1.00 0.00 C ATOM 791 ND1 HIS A 47 -8.464 12.741 0.238 1.00 0.00 N ATOM 792 CD2 HIS A 47 -7.065 13.068 1.882 1.00 0.00 C ATOM 793 CE1 HIS A 47 -9.133 13.345 1.205 1.00 0.00 C ATOM 794 NE2 HIS A 47 -8.306 13.553 2.214 1.00 0.00 N ATOM 0 H HIS A 47 -4.229 9.718 -0.062 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.131 10.063 0.282 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -5.134 12.192 0.105 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -6.238 12.255 -1.254 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -6.181 13.092 2.502 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -10.177 13.621 1.175 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -8.550 14.001 3.097 1.00 0.00 H new ATOM 803 N ALA A 48 -7.167 10.418 -2.462 1.00 0.00 N ATOM 804 CA ALA A 48 -7.322 10.010 -3.852 1.00 0.00 C ATOM 805 C ALA A 48 -6.147 10.484 -4.700 1.00 0.00 C ATOM 806 O ALA A 48 -5.553 11.528 -4.426 1.00 0.00 O ATOM 807 CB ALA A 48 -8.630 10.544 -4.416 1.00 0.00 C ATOM 0 H ALA A 48 -7.793 11.168 -2.170 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.342 8.921 -3.883 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.733 10.232 -5.455 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.464 10.151 -3.835 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.632 11.633 -4.363 1.00 0.00 H new ATOM 813 N LEU A 49 -5.815 9.711 -5.729 1.00 0.00 N ATOM 814 CA LEU A 49 -4.710 10.052 -6.616 1.00 0.00 C ATOM 815 C LEU A 49 -5.167 11.012 -7.709 1.00 0.00 C ATOM 816 O LEU A 49 -6.343 11.367 -7.787 1.00 0.00 O ATOM 817 CB LEU A 49 -4.123 8.786 -7.244 1.00 0.00 C ATOM 818 CG LEU A 49 -3.855 7.642 -6.262 1.00 0.00 C ATOM 819 CD1 LEU A 49 -4.927 6.569 -6.382 1.00 0.00 C ATOM 820 CD2 LEU A 49 -2.475 7.046 -6.500 1.00 0.00 C ATOM 0 H LEU A 49 -6.296 8.844 -5.969 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.940 10.545 -6.023 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.806 8.430 -8.015 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.188 9.045 -7.741 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.886 8.046 -5.250 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.718 5.765 -5.676 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.902 7.003 -6.160 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.930 6.169 -7.396 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.302 6.235 -5.793 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.416 6.659 -7.517 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.717 7.817 -6.360 1.00 0.00 H new ATOM 832 N LYS A 50 -4.228 11.432 -8.553 1.00 0.00 N ATOM 833 CA LYS A 50 -4.535 12.353 -9.641 1.00 0.00 C ATOM 834 C LYS A 50 -4.366 11.671 -10.995 1.00 0.00 C ATOM 835 O LYS A 50 -3.636 10.687 -11.120 1.00 0.00 O ATOM 836 CB LYS A 50 -3.632 13.586 -9.562 1.00 0.00 C ATOM 837 CG LYS A 50 -3.631 14.250 -8.196 1.00 0.00 C ATOM 838 CD LYS A 50 -4.736 15.289 -8.081 1.00 0.00 C ATOM 839 CE LYS A 50 -6.054 14.657 -7.659 1.00 0.00 C ATOM 840 NZ LYS A 50 -6.360 14.915 -6.226 1.00 0.00 N ATOM 0 H LYS A 50 -3.249 11.149 -8.504 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.575 12.664 -9.539 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.613 13.297 -9.817 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.954 14.311 -10.309 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.760 13.493 -7.422 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.665 14.724 -8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.447 16.050 -7.356 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.863 15.794 -9.039 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.860 15.050 -8.279 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.013 13.582 -7.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.266 14.468 -5.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.604 14.518 -5.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.424 15.940 -6.064 1.00 0.00 H new ATOM 854 N GLY A 51 -5.045 12.201 -12.008 1.00 0.00 N ATOM 855 CA GLY A 51 -4.956 11.632 -13.339 1.00 0.00 C ATOM 856 C GLY A 51 -6.002 10.563 -13.587 1.00 0.00 C ATOM 857 O GLY A 51 -7.184 10.766 -13.309 1.00 0.00 O ATOM 0 H GLY A 51 -5.655 13.015 -11.930 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.070 12.425 -14.078 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.964 11.204 -13.482 1.00 0.00 H new ATOM 861 N LYS A 52 -5.566 9.422 -14.110 1.00 0.00 N ATOM 862 CA LYS A 52 -6.470 8.315 -14.397 1.00 0.00 C ATOM 863 C LYS A 52 -6.704 7.454 -13.156 1.00 0.00 C ATOM 864 O LYS A 52 -7.622 6.634 -13.127 1.00 0.00 O ATOM 865 CB LYS A 52 -5.908 7.456 -15.533 1.00 0.00 C ATOM 866 CG LYS A 52 -6.786 7.438 -16.775 1.00 0.00 C ATOM 867 CD LYS A 52 -7.637 6.180 -16.840 1.00 0.00 C ATOM 868 CE LYS A 52 -9.072 6.455 -16.418 1.00 0.00 C ATOM 869 NZ LYS A 52 -9.669 7.581 -17.185 1.00 0.00 N ATOM 0 H LYS A 52 -4.590 9.240 -14.344 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.428 8.734 -14.704 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.919 7.827 -15.803 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.779 6.435 -15.175 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.432 8.316 -16.777 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.160 7.501 -17.665 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.625 5.783 -17.855 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.207 5.415 -16.194 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.672 5.557 -16.565 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.099 6.686 -15.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.689 7.418 -17.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.517 8.471 -16.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.218 7.642 -18.120 1.00 0.00 H new ATOM 883 N TRP A 53 -5.872 7.642 -12.134 1.00 0.00 N ATOM 884 CA TRP A 53 -5.996 6.876 -10.899 1.00 0.00 C ATOM 885 C TRP A 53 -6.805 7.639 -9.852 1.00 0.00 C ATOM 886 O TRP A 53 -6.667 7.397 -8.654 1.00 0.00 O ATOM 887 CB TRP A 53 -4.609 6.541 -10.342 1.00 0.00 C ATOM 888 CG TRP A 53 -3.653 6.045 -11.383 1.00 0.00 C ATOM 889 CD1 TRP A 53 -2.360 6.442 -11.563 1.00 0.00 C ATOM 890 CD2 TRP A 53 -3.913 5.059 -12.389 1.00 0.00 C ATOM 891 NE1 TRP A 53 -1.800 5.764 -12.619 1.00 0.00 N ATOM 892 CE2 TRP A 53 -2.733 4.910 -13.143 1.00 0.00 C ATOM 893 CE3 TRP A 53 -5.030 4.286 -12.727 1.00 0.00 C ATOM 894 CZ2 TRP A 53 -2.638 4.021 -14.211 1.00 0.00 C ATOM 895 CZ3 TRP A 53 -4.934 3.405 -13.787 1.00 0.00 C ATOM 896 CH2 TRP A 53 -3.746 3.278 -14.518 1.00 0.00 C ATOM 0 H TRP A 53 -5.107 8.317 -12.138 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.525 5.951 -11.131 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.191 7.430 -9.870 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.711 5.785 -9.564 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.851 7.182 -10.963 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -0.845 5.878 -12.957 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.950 4.377 -12.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.723 3.921 -14.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.790 2.804 -14.057 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -3.703 2.580 -15.341 1.00 0.00 H new ATOM 907 N LYS A 54 -7.649 8.560 -10.311 1.00 0.00 N ATOM 908 CA LYS A 54 -8.476 9.353 -9.407 1.00 0.00 C ATOM 909 C LYS A 54 -9.407 8.460 -8.590 1.00 0.00 C ATOM 910 O LYS A 54 -9.486 8.589 -7.368 1.00 0.00 O ATOM 911 CB LYS A 54 -9.293 10.380 -10.193 1.00 0.00 C ATOM 912 CG LYS A 54 -9.445 11.712 -9.478 1.00 0.00 C ATOM 913 CD LYS A 54 -8.521 12.770 -10.060 1.00 0.00 C ATOM 914 CE LYS A 54 -9.050 14.172 -9.808 1.00 0.00 C ATOM 915 NZ LYS A 54 -10.259 14.463 -10.628 1.00 0.00 N ATOM 0 H LYS A 54 -7.778 8.775 -11.300 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.813 9.878 -8.720 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.817 10.548 -11.159 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.283 9.969 -10.392 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.479 12.050 -9.553 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.228 11.583 -8.418 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.529 12.670 -9.620 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.412 12.609 -11.132 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.292 14.285 -8.751 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.272 14.900 -10.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.392 15.492 -10.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.136 14.065 -11.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.094 14.036 -10.179 1.00 0.00 H new ATOM 929 N PRO A 55 -10.128 7.538 -9.252 1.00 0.00 N ATOM 930 CA PRO A 55 -11.054 6.624 -8.571 1.00 0.00 C ATOM 931 C PRO A 55 -10.363 5.790 -7.494 1.00 0.00 C ATOM 932 O PRO A 55 -11.022 5.210 -6.631 1.00 0.00 O ATOM 933 CB PRO A 55 -11.566 5.718 -9.697 1.00 0.00 C ATOM 934 CG PRO A 55 -11.340 6.494 -10.948 1.00 0.00 C ATOM 935 CD PRO A 55 -10.101 7.308 -10.708 1.00 0.00 C ATOM 0 HA PRO A 55 -11.844 7.166 -8.051 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.027 4.771 -9.717 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.622 5.482 -9.564 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -11.212 5.829 -11.802 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.193 7.136 -11.169 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.202 6.774 -11.015 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.120 8.245 -11.264 1.00 0.00 H new ATOM 943 N PHE A 56 -9.035 5.732 -7.549 1.00 0.00 N ATOM 944 CA PHE A 56 -8.265 4.965 -6.577 1.00 0.00 C ATOM 945 C PHE A 56 -7.822 5.845 -5.413 1.00 0.00 C ATOM 946 O PHE A 56 -8.062 7.052 -5.407 1.00 0.00 O ATOM 947 CB PHE A 56 -7.043 4.334 -7.248 1.00 0.00 C ATOM 948 CG PHE A 56 -7.394 3.321 -8.300 1.00 0.00 C ATOM 949 CD1 PHE A 56 -7.597 3.711 -9.615 1.00 0.00 C ATOM 950 CD2 PHE A 56 -7.522 1.981 -7.976 1.00 0.00 C ATOM 951 CE1 PHE A 56 -7.920 2.782 -10.585 1.00 0.00 C ATOM 952 CE2 PHE A 56 -7.844 1.047 -8.941 1.00 0.00 C ATOM 953 CZ PHE A 56 -8.043 1.448 -10.249 1.00 0.00 C ATOM 0 H PHE A 56 -8.472 6.206 -8.255 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.906 4.175 -6.186 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.439 5.121 -7.700 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.426 3.857 -6.487 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.502 4.753 -9.884 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.368 1.662 -6.956 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.076 3.099 -11.606 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.940 0.005 -8.674 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.294 0.720 -11.006 1.00 0.00 H new ATOM 963 N ARG A 57 -7.176 5.232 -4.427 1.00 0.00 N ATOM 964 CA ARG A 57 -6.702 5.956 -3.255 1.00 0.00 C ATOM 965 C ARG A 57 -5.252 5.597 -2.943 1.00 0.00 C ATOM 966 O ARG A 57 -4.862 4.432 -3.014 1.00 0.00 O ATOM 967 CB ARG A 57 -7.587 5.647 -2.046 1.00 0.00 C ATOM 968 CG ARG A 57 -7.343 6.565 -0.860 1.00 0.00 C ATOM 969 CD ARG A 57 -8.505 6.531 0.119 1.00 0.00 C ATOM 970 NE ARG A 57 -9.734 7.054 -0.473 1.00 0.00 N ATOM 971 CZ ARG A 57 -10.791 7.442 0.237 1.00 0.00 C ATOM 972 NH1 ARG A 57 -10.772 7.371 1.562 1.00 0.00 N ATOM 973 NH2 ARG A 57 -11.869 7.905 -0.380 1.00 0.00 N ATOM 0 H ARG A 57 -6.969 4.233 -4.417 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.755 7.023 -3.472 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.633 5.723 -2.344 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.417 4.616 -1.737 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.427 6.266 -0.350 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.193 7.585 -1.213 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.670 5.506 0.451 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.251 7.115 1.003 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.785 7.126 -1.489 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.944 7.018 2.042 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.585 7.670 2.100 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.888 7.964 -1.398 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.679 8.202 0.163 1.00 0.00 H new ATOM 987 N GLU A 58 -4.458 6.607 -2.600 1.00 0.00 N ATOM 988 CA GLU A 58 -3.050 6.398 -2.280 1.00 0.00 C ATOM 989 C GLU A 58 -2.844 6.267 -0.774 1.00 0.00 C ATOM 990 O GLU A 58 -3.786 6.409 0.006 1.00 0.00 O ATOM 991 CB GLU A 58 -2.206 7.553 -2.821 1.00 0.00 C ATOM 992 CG GLU A 58 -0.837 7.124 -3.324 1.00 0.00 C ATOM 993 CD GLU A 58 -0.265 8.083 -4.349 1.00 0.00 C ATOM 994 OE1 GLU A 58 -0.304 9.307 -4.103 1.00 0.00 O ATOM 995 OE2 GLU A 58 0.222 7.612 -5.398 1.00 0.00 O ATOM 0 H GLU A 58 -4.765 7.577 -2.537 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.732 5.469 -2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.747 8.037 -3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.078 8.297 -2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.151 7.049 -2.480 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.911 6.130 -3.764 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.607 5.995 -0.373 1.00 0.00 N ATOM 1003 CA CYS A 59 -1.275 5.845 1.038 1.00 0.00 C ATOM 1004 C CYS A 59 0.237 5.806 1.240 1.00 0.00 C ATOM 1005 O CYS A 59 0.892 4.815 0.911 1.00 0.00 O ATOM 1006 CB CYS A 59 -1.909 4.571 1.600 1.00 0.00 C ATOM 1007 SG CYS A 59 -2.240 4.634 3.377 1.00 0.00 S ATOM 0 H CYS A 59 -0.817 5.874 -1.007 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.673 6.707 1.573 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.844 4.380 1.073 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.250 3.728 1.394 1.00 0.00 H new ATOM 0 HG CYS A 59 -1.302 4.001 4.016 1.00 0.00 H new ATOM 1013 N HIS A 60 0.785 6.888 1.778 1.00 0.00 N ATOM 1014 CA HIS A 60 2.220 6.978 2.021 1.00 0.00 C ATOM 1015 C HIS A 60 2.563 6.506 3.433 1.00 0.00 C ATOM 1016 O HIS A 60 2.808 7.316 4.327 1.00 0.00 O ATOM 1017 CB HIS A 60 2.703 8.416 1.822 1.00 0.00 C ATOM 1018 CG HIS A 60 2.405 8.966 0.461 1.00 0.00 C ATOM 1019 ND1 HIS A 60 3.269 9.797 -0.221 1.00 0.00 N ATOM 1020 CD2 HIS A 60 1.330 8.800 -0.345 1.00 0.00 C ATOM 1021 CE1 HIS A 60 2.738 10.119 -1.387 1.00 0.00 C ATOM 1022 NE2 HIS A 60 1.561 9.527 -1.487 1.00 0.00 N ATOM 0 H HIS A 60 0.258 7.716 2.055 1.00 0.00 H new ATOM 0 HA HIS A 60 2.726 6.329 1.306 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.237 9.054 2.573 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.779 8.456 1.993 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.454 8.206 -0.130 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.189 10.758 -2.132 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.927 9.598 -2.283 1.00 0.00 H new ATOM 1031 N ILE A 61 2.578 5.191 3.624 1.00 0.00 N ATOM 1032 CA ILE A 61 2.891 4.611 4.927 1.00 0.00 C ATOM 1033 C ILE A 61 4.273 5.051 5.406 1.00 0.00 C ATOM 1034 O ILE A 61 4.523 5.142 6.608 1.00 0.00 O ATOM 1035 CB ILE A 61 2.833 3.069 4.886 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.452 2.603 4.419 1.00 0.00 C ATOM 1037 CG2 ILE A 61 3.158 2.484 6.253 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.398 2.255 2.948 1.00 0.00 C ATOM 0 H ILE A 61 2.377 4.507 2.895 1.00 0.00 H new ATOM 0 HA ILE A 61 2.137 4.973 5.626 1.00 0.00 H new ATOM 0 HB ILE A 61 3.580 2.714 4.176 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.155 1.731 5.002 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.724 3.387 4.626 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.112 1.396 6.204 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.160 2.792 6.551 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.435 2.845 6.984 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.390 1.933 2.687 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.663 3.131 2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.102 1.449 2.739 1.00 0.00 H new ATOM 1050 N LYS A 62 5.165 5.322 4.460 1.00 0.00 N ATOM 1051 CA LYS A 62 6.520 5.752 4.787 1.00 0.00 C ATOM 1052 C LYS A 62 6.978 6.866 3.850 1.00 0.00 C ATOM 1053 O LYS A 62 6.321 7.155 2.849 1.00 0.00 O ATOM 1054 CB LYS A 62 7.486 4.568 4.704 1.00 0.00 C ATOM 1055 CG LYS A 62 6.952 3.297 5.343 1.00 0.00 C ATOM 1056 CD LYS A 62 8.075 2.330 5.686 1.00 0.00 C ATOM 1057 CE LYS A 62 8.357 2.309 7.180 1.00 0.00 C ATOM 1058 NZ LYS A 62 8.780 3.644 7.685 1.00 0.00 N ATOM 0 H LYS A 62 4.975 5.252 3.460 1.00 0.00 H new ATOM 0 HA LYS A 62 6.517 6.139 5.806 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.714 4.369 3.657 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.424 4.841 5.188 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.398 3.548 6.248 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.250 2.814 4.663 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.808 1.328 5.351 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.979 2.616 5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.463 1.986 7.713 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.137 1.577 7.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.060 3.565 8.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.587 3.987 7.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.989 4.314 7.599 1.00 0.00 H new ATOM 1072 N PRO A 63 8.117 7.512 4.163 1.00 0.00 N ATOM 1073 CA PRO A 63 8.662 8.602 3.346 1.00 0.00 C ATOM 1074 C PRO A 63 9.220 8.119 2.010 1.00 0.00 C ATOM 1075 O PRO A 63 9.669 8.920 1.190 1.00 0.00 O ATOM 1076 CB PRO A 63 9.787 9.190 4.215 1.00 0.00 C ATOM 1077 CG PRO A 63 9.628 8.566 5.563 1.00 0.00 C ATOM 1078 CD PRO A 63 8.959 7.242 5.334 1.00 0.00 C ATOM 0 HA PRO A 63 7.889 9.324 3.083 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.766 8.964 3.793 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.708 10.276 4.275 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.595 8.435 6.048 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.027 9.198 6.216 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.682 6.450 5.140 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.369 6.931 6.196 1.00 0.00 H new ATOM 1086 N ASP A 64 9.185 6.811 1.797 1.00 0.00 N ATOM 1087 CA ASP A 64 9.683 6.222 0.560 1.00 0.00 C ATOM 1088 C ASP A 64 8.766 5.100 0.086 1.00 0.00 C ATOM 1089 O ASP A 64 9.203 4.175 -0.598 1.00 0.00 O ATOM 1090 CB ASP A 64 11.101 5.685 0.761 1.00 0.00 C ATOM 1091 CG ASP A 64 12.124 6.794 0.907 1.00 0.00 C ATOM 1092 OD1 ASP A 64 12.290 7.579 -0.050 1.00 0.00 O ATOM 1093 OD2 ASP A 64 12.760 6.877 1.979 1.00 0.00 O ATOM 0 H ASP A 64 8.816 6.135 2.466 1.00 0.00 H new ATOM 0 HA ASP A 64 9.701 7.001 -0.203 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.125 5.053 1.649 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.371 5.054 -0.086 1.00 0.00 H new ATOM 1098 N VAL A 65 7.491 5.187 0.454 1.00 0.00 N ATOM 1099 CA VAL A 65 6.513 4.177 0.066 1.00 0.00 C ATOM 1100 C VAL A 65 5.181 4.817 -0.304 1.00 0.00 C ATOM 1101 O VAL A 65 4.815 5.867 0.221 1.00 0.00 O ATOM 1102 CB VAL A 65 6.284 3.153 1.194 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.327 2.060 0.743 1.00 0.00 C ATOM 1104 CG2 VAL A 65 7.605 2.558 1.648 1.00 0.00 C ATOM 0 H VAL A 65 7.112 5.946 1.020 1.00 0.00 H new ATOM 0 HA VAL A 65 6.919 3.661 -0.804 1.00 0.00 H new ATOM 0 HB VAL A 65 5.832 3.670 2.040 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.180 1.348 1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.369 2.504 0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.745 1.544 -0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.424 1.837 2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.086 2.057 0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.254 3.352 2.017 1.00 0.00 H new ATOM 1114 N LEU A 66 4.458 4.170 -1.212 1.00 0.00 N ATOM 1115 CA LEU A 66 3.161 4.670 -1.656 1.00 0.00 C ATOM 1116 C LEU A 66 2.238 3.513 -2.028 1.00 0.00 C ATOM 1117 O LEU A 66 2.230 3.054 -3.170 1.00 0.00 O ATOM 1118 CB LEU A 66 3.328 5.611 -2.855 1.00 0.00 C ATOM 1119 CG LEU A 66 4.657 6.368 -2.914 1.00 0.00 C ATOM 1120 CD1 LEU A 66 4.927 6.859 -4.329 1.00 0.00 C ATOM 1121 CD2 LEU A 66 4.654 7.534 -1.936 1.00 0.00 C ATOM 0 H LEU A 66 4.748 3.298 -1.655 1.00 0.00 H new ATOM 0 HA LEU A 66 2.713 5.226 -0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.220 5.029 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.516 6.338 -2.841 1.00 0.00 H new ATOM 0 HG LEU A 66 5.455 5.683 -2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.876 7.395 -4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.974 6.007 -5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.125 7.527 -4.642 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.607 8.059 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.846 8.220 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.507 7.159 -0.923 1.00 0.00 H new ATOM 1133 N LEU A 67 1.463 3.049 -1.055 1.00 0.00 N ATOM 1134 CA LEU A 67 0.537 1.943 -1.275 1.00 0.00 C ATOM 1135 C LEU A 67 -0.838 2.457 -1.693 1.00 0.00 C ATOM 1136 O LEU A 67 -1.463 3.242 -0.980 1.00 0.00 O ATOM 1137 CB LEU A 67 0.422 1.094 -0.003 1.00 0.00 C ATOM 1138 CG LEU A 67 -0.751 0.109 0.042 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -0.955 -0.562 -1.311 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -0.525 -0.936 1.124 1.00 0.00 C ATOM 0 H LEU A 67 1.457 3.421 -0.105 1.00 0.00 H new ATOM 0 HA LEU A 67 0.927 1.324 -2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.348 0.532 0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.340 1.765 0.852 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.655 0.670 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.794 -1.256 -1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.165 0.196 -2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.052 -1.107 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.367 -1.628 1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.392 -1.486 0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.438 -0.444 2.093 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.303 2.005 -2.854 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.603 2.414 -3.370 1.00 0.00 C ATOM 1154 C VAL A 68 -3.661 1.354 -3.082 1.00 0.00 C ATOM 1155 O VAL A 68 -3.438 0.163 -3.304 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.546 2.679 -4.888 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -3.896 3.152 -5.408 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -1.461 3.694 -5.208 1.00 0.00 C ATOM 0 H VAL A 68 -0.797 1.354 -3.455 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.874 3.339 -2.862 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.302 1.743 -5.390 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.830 3.332 -6.481 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.649 2.388 -5.214 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.178 4.075 -4.902 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.433 3.870 -6.283 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.675 4.630 -4.692 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.495 3.311 -4.878 1.00 0.00 H new ATOM 1168 N TYR A 69 -4.811 1.795 -2.587 1.00 0.00 N ATOM 1169 CA TYR A 69 -5.905 0.884 -2.267 1.00 0.00 C ATOM 1170 C TYR A 69 -7.251 1.495 -2.645 1.00 0.00 C ATOM 1171 O TYR A 69 -7.332 2.664 -3.020 1.00 0.00 O ATOM 1172 CB TYR A 69 -5.889 0.541 -0.777 1.00 0.00 C ATOM 1173 CG TYR A 69 -6.141 1.732 0.123 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -7.424 2.231 0.304 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -5.093 2.354 0.791 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -7.656 3.319 1.124 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -5.319 3.441 1.615 1.00 0.00 C ATOM 1178 CZ TYR A 69 -6.601 3.919 1.778 1.00 0.00 C ATOM 1179 OH TYR A 69 -6.828 5.001 2.596 1.00 0.00 O ATOM 0 H TYR A 69 -5.011 2.777 -2.398 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.766 -0.029 -2.846 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.645 -0.219 -0.580 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.923 0.103 -0.524 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.254 1.762 -0.204 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -4.087 1.983 0.665 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.659 3.698 1.252 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.495 3.913 2.128 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.041 5.156 3.159 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.307 0.693 -2.542 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.651 1.154 -2.869 1.00 0.00 C ATOM 1191 C LEU A 70 -10.563 1.079 -1.649 1.00 0.00 C ATOM 1192 O LEU A 70 -10.551 0.092 -0.913 1.00 0.00 O ATOM 1193 CB LEU A 70 -10.236 0.319 -4.011 1.00 0.00 C ATOM 1194 CG LEU A 70 -11.080 1.102 -5.017 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -10.221 2.113 -5.760 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -11.759 0.156 -5.995 1.00 0.00 C ATOM 0 H LEU A 70 -8.257 -0.278 -2.235 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.584 2.194 -3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.417 -0.164 -4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.850 -0.474 -3.584 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.853 1.643 -4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.838 2.661 -6.472 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.782 2.811 -5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.426 1.592 -6.294 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.355 0.731 -6.703 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.003 -0.413 -6.536 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.407 -0.529 -5.448 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.350 2.128 -1.443 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.270 2.183 -0.313 1.00 0.00 C ATOM 1210 C VAL A 71 -13.542 1.402 -0.602 1.00 0.00 C ATOM 1211 O VAL A 71 -13.884 1.160 -1.760 1.00 0.00 O ATOM 1212 CB VAL A 71 -12.650 3.634 0.031 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -13.326 4.310 -1.151 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -13.541 3.683 1.264 1.00 0.00 C ATOM 0 H VAL A 71 -11.370 2.952 -2.044 1.00 0.00 H new ATOM 0 HA VAL A 71 -11.752 1.735 0.535 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.733 4.180 0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.586 5.335 -0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.646 4.318 -2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -14.231 3.763 -1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.796 4.719 1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.453 3.117 1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.012 3.249 2.112 1.00 0.00 H new ATOM 1224 N LYS A 72 -14.246 1.022 0.454 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.486 0.282 0.304 1.00 0.00 C ATOM 1226 C LYS A 72 -16.501 0.699 1.366 1.00 0.00 C ATOM 1227 O LYS A 72 -16.130 1.209 2.423 1.00 0.00 O ATOM 1228 CB LYS A 72 -15.226 -1.224 0.377 1.00 0.00 C ATOM 1229 CG LYS A 72 -15.994 -2.025 -0.662 1.00 0.00 C ATOM 1230 CD LYS A 72 -15.708 -1.531 -2.071 1.00 0.00 C ATOM 1231 CE LYS A 72 -15.679 -2.679 -3.067 1.00 0.00 C ATOM 1232 NZ LYS A 72 -14.288 -3.124 -3.363 1.00 0.00 N ATOM 0 H LYS A 72 -13.980 1.214 1.420 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.902 0.515 -0.676 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.159 -1.407 0.249 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.494 -1.583 1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.724 -3.078 -0.583 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -17.063 -1.954 -0.460 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.470 -0.810 -2.367 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.751 -1.009 -2.088 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.252 -3.518 -2.671 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.165 -2.369 -3.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.312 -3.908 -4.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.748 -2.331 -3.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.832 -3.444 -2.485 1.00 0.00 H new ATOM 1246 N ASP A 73 -17.781 0.484 1.070 1.00 0.00 N ATOM 1247 CA ASP A 73 -18.865 0.840 1.986 1.00 0.00 C ATOM 1248 C ASP A 73 -18.517 0.506 3.435 1.00 0.00 C ATOM 1249 O ASP A 73 -18.943 1.197 4.361 1.00 0.00 O ATOM 1250 CB ASP A 73 -20.154 0.121 1.585 1.00 0.00 C ATOM 1251 CG ASP A 73 -20.991 0.933 0.615 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -20.438 1.389 -0.409 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -22.198 1.112 0.880 1.00 0.00 O ATOM 0 H ASP A 73 -18.095 0.062 0.196 1.00 0.00 H new ATOM 0 HA ASP A 73 -19.011 1.918 1.916 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -19.906 -0.839 1.131 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -20.741 -0.091 2.478 1.00 0.00 H new ATOM 1258 N ASP A 74 -17.740 -0.554 3.625 1.00 0.00 N ATOM 1259 CA ASP A 74 -17.339 -0.974 4.963 1.00 0.00 C ATOM 1260 C ASP A 74 -16.188 -1.972 4.894 1.00 0.00 C ATOM 1261 O ASP A 74 -16.092 -2.879 5.720 1.00 0.00 O ATOM 1262 CB ASP A 74 -18.524 -1.593 5.705 1.00 0.00 C ATOM 1263 CG ASP A 74 -18.532 -1.241 7.179 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -18.735 -0.052 7.505 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -18.334 -2.153 8.009 1.00 0.00 O ATOM 0 H ASP A 74 -17.376 -1.137 2.872 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.002 -0.093 5.508 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -19.453 -1.252 5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -18.493 -2.677 5.593 1.00 0.00 H new ATOM 1270 N GLU A 75 -15.321 -1.800 3.903 1.00 0.00 N ATOM 1271 CA GLU A 75 -14.178 -2.689 3.726 1.00 0.00 C ATOM 1272 C GLU A 75 -13.067 -1.999 2.943 1.00 0.00 C ATOM 1273 O GLU A 75 -13.291 -0.979 2.293 1.00 0.00 O ATOM 1274 CB GLU A 75 -14.607 -3.968 3.002 1.00 0.00 C ATOM 1275 CG GLU A 75 -15.280 -4.986 3.908 1.00 0.00 C ATOM 1276 CD GLU A 75 -16.778 -5.073 3.678 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -17.189 -5.751 2.713 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -17.535 -4.465 4.461 1.00 0.00 O ATOM 0 H GLU A 75 -15.387 -1.054 3.210 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.796 -2.948 4.713 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.290 -3.706 2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.731 -4.426 2.543 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.833 -5.966 3.742 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.091 -4.722 4.948 1.00 0.00 H new ATOM 1285 N LEU A 76 -11.866 -2.567 3.010 1.00 0.00 N ATOM 1286 CA LEU A 76 -10.718 -2.011 2.305 1.00 0.00 C ATOM 1287 C LEU A 76 -10.066 -3.067 1.419 1.00 0.00 C ATOM 1288 O LEU A 76 -9.940 -4.228 1.810 1.00 0.00 O ATOM 1289 CB LEU A 76 -9.695 -1.462 3.301 1.00 0.00 C ATOM 1290 CG LEU A 76 -8.631 -0.543 2.698 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -9.195 0.852 2.476 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -7.404 -0.490 3.595 1.00 0.00 C ATOM 0 H LEU A 76 -11.664 -3.411 3.545 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.070 -1.195 1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.226 -0.915 4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.196 -2.301 3.785 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.332 -0.948 1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.424 1.492 2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.043 0.797 1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.523 1.268 3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.657 0.168 3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.687 -0.108 4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.988 -1.492 3.701 1.00 0.00 H new ATOM 1304 N ILE A 77 -9.656 -2.660 0.222 1.00 0.00 N ATOM 1305 CA ILE A 77 -9.021 -3.575 -0.717 1.00 0.00 C ATOM 1306 C ILE A 77 -7.711 -2.998 -1.249 1.00 0.00 C ATOM 1307 O ILE A 77 -7.666 -1.856 -1.706 1.00 0.00 O ATOM 1308 CB ILE A 77 -9.955 -3.907 -1.900 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -10.115 -2.694 -2.822 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -11.311 -4.371 -1.388 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -9.230 -2.747 -4.048 1.00 0.00 C ATOM 0 H ILE A 77 -9.752 -1.704 -0.119 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.808 -4.494 -0.171 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.506 -4.715 -2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.156 -2.622 -3.138 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -9.889 -1.788 -2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.960 -4.602 -2.233 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.183 -5.263 -0.775 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.763 -3.581 -0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.396 -1.857 -4.655 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.185 -2.787 -3.741 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.471 -3.635 -4.633 1.00 0.00 H new ATOM 1323 N LEU A 78 -6.650 -3.796 -1.187 1.00 0.00 N ATOM 1324 CA LEU A 78 -5.342 -3.362 -1.664 1.00 0.00 C ATOM 1325 C LEU A 78 -5.305 -3.322 -3.188 1.00 0.00 C ATOM 1326 O LEU A 78 -5.944 -4.135 -3.854 1.00 0.00 O ATOM 1327 CB LEU A 78 -4.248 -4.295 -1.138 1.00 0.00 C ATOM 1328 CG LEU A 78 -4.151 -4.385 0.385 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -2.970 -5.251 0.794 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -4.032 -2.997 0.995 1.00 0.00 C ATOM 0 H LEU A 78 -6.670 -4.744 -0.812 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.161 -2.355 -1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.423 -5.295 -1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.287 -3.960 -1.529 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.063 -4.848 0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.917 -5.304 1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.097 -6.255 0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.049 -4.816 0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.964 -3.081 2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.137 -2.507 0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.910 -2.407 0.731 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.554 -2.371 -3.732 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.436 -2.224 -5.178 1.00 0.00 C ATOM 1344 C LEU A 79 -3.021 -2.548 -5.647 1.00 0.00 C ATOM 1345 O LEU A 79 -2.790 -3.573 -6.288 1.00 0.00 O ATOM 1346 CB LEU A 79 -4.818 -0.803 -5.600 1.00 0.00 C ATOM 1347 CG LEU A 79 -5.807 -0.718 -6.764 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -5.299 -1.512 -7.957 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -7.179 -1.214 -6.334 1.00 0.00 C ATOM 0 H LEU A 79 -4.018 -1.690 -3.194 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.121 -2.930 -5.647 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.247 -0.288 -4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.910 -0.265 -5.874 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.898 0.326 -7.063 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.016 -1.439 -8.775 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.339 -1.109 -8.280 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.177 -2.557 -7.673 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.870 -1.147 -7.174 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.105 -2.251 -6.007 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.547 -0.600 -5.512 1.00 0.00 H new ATOM 1361 N ARG A 80 -2.078 -1.668 -5.323 1.00 0.00 N ATOM 1362 CA ARG A 80 -0.686 -1.866 -5.714 1.00 0.00 C ATOM 1363 C ARG A 80 0.259 -1.133 -4.766 1.00 0.00 C ATOM 1364 O ARG A 80 -0.134 -0.180 -4.094 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.465 -1.388 -7.150 1.00 0.00 C ATOM 1366 CG ARG A 80 -0.664 0.109 -7.333 1.00 0.00 C ATOM 1367 CD ARG A 80 -2.052 0.426 -7.865 1.00 0.00 C ATOM 1368 NE ARG A 80 -2.027 1.493 -8.861 1.00 0.00 N ATOM 1369 CZ ARG A 80 -1.672 1.314 -10.131 1.00 0.00 C ATOM 1370 NH1 ARG A 80 -1.311 0.112 -10.564 1.00 0.00 N ATOM 1371 NH2 ARG A 80 -1.675 2.340 -10.972 1.00 0.00 N ATOM 0 H ARG A 80 -2.251 -0.814 -4.793 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.468 -2.932 -5.657 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.546 -1.652 -7.460 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.150 -1.920 -7.810 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.514 0.616 -6.380 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.088 0.495 -8.021 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.484 -0.472 -8.307 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.699 0.718 -7.038 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.298 2.431 -8.566 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.305 -0.681 -9.922 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.040 -0.019 -11.539 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.949 3.266 -10.645 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -1.403 2.202 -11.945 1.00 0.00 H new ATOM 1385 N LEU A 81 1.508 -1.589 -4.718 1.00 0.00 N ATOM 1386 CA LEU A 81 2.514 -0.981 -3.853 1.00 0.00 C ATOM 1387 C LEU A 81 3.584 -0.270 -4.674 1.00 0.00 C ATOM 1388 O LEU A 81 4.096 -0.815 -5.651 1.00 0.00 O ATOM 1389 CB LEU A 81 3.158 -2.050 -2.965 1.00 0.00 C ATOM 1390 CG LEU A 81 4.143 -1.525 -1.914 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.466 -1.144 -2.560 1.00 0.00 C ATOM 1392 CD2 LEU A 81 3.549 -0.339 -1.167 1.00 0.00 C ATOM 0 H LEU A 81 1.847 -2.378 -5.268 1.00 0.00 H new ATOM 0 HA LEU A 81 2.020 -0.241 -3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.367 -2.599 -2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.680 -2.763 -3.604 1.00 0.00 H new ATOM 0 HG LEU A 81 4.332 -2.322 -1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.150 -0.774 -1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.900 -2.019 -3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.297 -0.365 -3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.263 0.019 -0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.327 0.461 -1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.631 -0.647 -0.667 1.00 0.00 H new ATOM 1404 N GLY A 82 3.918 0.950 -4.268 1.00 0.00 N ATOM 1405 CA GLY A 82 4.927 1.717 -4.971 1.00 0.00 C ATOM 1406 C GLY A 82 5.879 2.422 -4.025 1.00 0.00 C ATOM 1407 O GLY A 82 5.893 2.142 -2.827 1.00 0.00 O ATOM 0 H GLY A 82 3.506 1.422 -3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.493 1.054 -5.625 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.440 2.455 -5.609 1.00 0.00 H new ATOM 1411 N SER A 83 6.675 3.339 -4.564 1.00 0.00 N ATOM 1412 CA SER A 83 7.633 4.087 -3.759 1.00 0.00 C ATOM 1413 C SER A 83 7.886 5.464 -4.360 1.00 0.00 C ATOM 1414 O SER A 83 7.590 5.706 -5.530 1.00 0.00 O ATOM 1415 CB SER A 83 8.949 3.316 -3.648 1.00 0.00 C ATOM 1416 OG SER A 83 8.893 2.356 -2.607 1.00 0.00 O ATOM 0 H SER A 83 6.676 3.582 -5.555 1.00 0.00 H new ATOM 0 HA SER A 83 7.212 4.216 -2.762 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.163 2.819 -4.594 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.767 4.012 -3.461 1.00 0.00 H new ATOM 0 HG SER A 83 9.006 2.804 -1.743 1.00 0.00 H new ATOM 1422 N HIS A 84 8.437 6.365 -3.553 1.00 0.00 N ATOM 1423 CA HIS A 84 8.730 7.719 -4.007 1.00 0.00 C ATOM 1424 C HIS A 84 9.621 7.693 -5.247 1.00 0.00 C ATOM 1425 O HIS A 84 9.578 8.603 -6.074 1.00 0.00 O ATOM 1426 CB HIS A 84 9.404 8.520 -2.889 1.00 0.00 C ATOM 1427 CG HIS A 84 8.904 9.927 -2.762 1.00 0.00 C ATOM 1428 ND1 HIS A 84 7.705 10.359 -3.292 1.00 0.00 N ATOM 1429 CD2 HIS A 84 9.451 11.007 -2.152 1.00 0.00 C ATOM 1430 CE1 HIS A 84 7.539 11.641 -3.015 1.00 0.00 C ATOM 1431 NE2 HIS A 84 8.583 12.056 -2.324 1.00 0.00 N ATOM 0 H HIS A 84 8.689 6.182 -2.582 1.00 0.00 H new ATOM 0 HA HIS A 84 7.789 8.203 -4.269 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.250 8.003 -1.942 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.479 8.542 -3.069 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.395 11.036 -1.628 1.00 0.00 H new ATOM 0 HE1 HIS A 84 6.692 12.246 -3.305 1.00 0.00 H new ATOM 0 HE2 HIS A 84 8.723 13.004 -1.974 1.00 0.00 H new ATOM 1440 N SER A 85 10.424 6.642 -5.370 1.00 0.00 N ATOM 1441 CA SER A 85 11.320 6.492 -6.511 1.00 0.00 C ATOM 1442 C SER A 85 10.631 5.740 -7.647 1.00 0.00 C ATOM 1443 O SER A 85 10.964 5.922 -8.817 1.00 0.00 O ATOM 1444 CB SER A 85 12.593 5.757 -6.095 1.00 0.00 C ATOM 1445 OG SER A 85 13.372 6.545 -5.210 1.00 0.00 O ATOM 0 H SER A 85 10.473 5.881 -4.693 1.00 0.00 H new ATOM 0 HA SER A 85 11.586 7.488 -6.866 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.332 4.815 -5.613 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.180 5.511 -6.980 1.00 0.00 H new ATOM 0 HG SER A 85 14.180 6.051 -4.958 1.00 0.00 H new ATOM 1451 N GLU A 86 9.669 4.892 -7.290 1.00 0.00 N ATOM 1452 CA GLU A 86 8.934 4.111 -8.278 1.00 0.00 C ATOM 1453 C GLU A 86 7.860 4.957 -8.954 1.00 0.00 C ATOM 1454 O GLU A 86 7.980 5.305 -10.130 1.00 0.00 O ATOM 1455 CB GLU A 86 8.298 2.884 -7.615 1.00 0.00 C ATOM 1456 CG GLU A 86 8.967 1.574 -7.992 1.00 0.00 C ATOM 1457 CD GLU A 86 9.944 1.093 -6.937 1.00 0.00 C ATOM 1458 OE1 GLU A 86 9.528 0.936 -5.769 1.00 0.00 O ATOM 1459 OE2 GLU A 86 11.127 0.874 -7.277 1.00 0.00 O ATOM 0 H GLU A 86 9.382 4.729 -6.325 1.00 0.00 H new ATOM 0 HA GLU A 86 9.638 3.779 -9.041 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.338 3.005 -6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.245 2.837 -7.891 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.203 0.812 -8.149 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.493 1.698 -8.939 1.00 0.00 H new ATOM 1466 N LEU A 87 6.811 5.284 -8.206 1.00 0.00 N ATOM 1467 CA LEU A 87 5.716 6.089 -8.735 1.00 0.00 C ATOM 1468 C LEU A 87 6.169 7.522 -8.997 1.00 0.00 C ATOM 1469 O LEU A 87 5.751 8.146 -9.971 1.00 0.00 O ATOM 1470 CB LEU A 87 4.534 6.086 -7.761 1.00 0.00 C ATOM 1471 CG LEU A 87 4.184 4.718 -7.169 1.00 0.00 C ATOM 1472 CD1 LEU A 87 2.983 4.832 -6.241 1.00 0.00 C ATOM 1473 CD2 LEU A 87 3.912 3.710 -8.276 1.00 0.00 C ATOM 0 H LEU A 87 6.696 5.004 -7.232 1.00 0.00 H new ATOM 0 HA LEU A 87 5.400 5.648 -9.681 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.755 6.773 -6.944 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.657 6.476 -8.277 1.00 0.00 H new ATOM 0 HG LEU A 87 5.036 4.365 -6.588 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.747 3.851 -5.829 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.215 5.521 -5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.125 5.206 -6.800 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.665 2.744 -7.836 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.077 4.055 -8.885 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.799 3.608 -8.901 1.00 0.00 H new ATOM 1485 N PHE A 88 7.027 8.034 -8.121 1.00 0.00 N ATOM 1486 CA PHE A 88 7.537 9.395 -8.260 1.00 0.00 C ATOM 1487 C PHE A 88 8.969 9.388 -8.783 1.00 0.00 C ATOM 1488 O PHE A 88 9.370 10.385 -9.420 1.00 0.00 O ATOM 1489 CB PHE A 88 7.473 10.124 -6.917 1.00 0.00 C ATOM 1490 CG PHE A 88 6.244 10.971 -6.750 1.00 0.00 C ATOM 1491 CD1 PHE A 88 5.054 10.408 -6.316 1.00 0.00 C ATOM 1492 CD2 PHE A 88 6.279 12.328 -7.024 1.00 0.00 C ATOM 1493 CE1 PHE A 88 3.920 11.185 -6.160 1.00 0.00 C ATOM 1494 CE2 PHE A 88 5.149 13.109 -6.870 1.00 0.00 C ATOM 1495 CZ PHE A 88 3.969 12.537 -6.438 1.00 0.00 C ATOM 1496 OXT PHE A 88 9.678 8.385 -8.552 1.00 0.00 O ATOM 0 H PHE A 88 7.384 7.530 -7.309 1.00 0.00 H new ATOM 0 HA PHE A 88 6.910 9.921 -8.980 1.00 0.00 H new ATOM 0 HB2 PHE A 88 7.510 9.390 -6.112 1.00 0.00 H new ATOM 0 HB3 PHE A 88 8.356 10.755 -6.813 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.012 9.351 -6.097 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.199 12.781 -7.362 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.998 10.735 -5.822 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.189 14.166 -7.087 1.00 0.00 H new ATOM 0 HZ PHE A 88 3.085 13.146 -6.318 1.00 0.00 H new TER 1506 PHE A 88