USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 899 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 54 GLN : amide:sc= -3.25! K(o=-4.2!,f=-1.1) USER MOD Set 1.2: A 55 ASN : amide:sc= -0.955 K(o=-4.2,f=-1.1) USER MOD Set 2.1: A 35 GLN : amide:sc= -6.05! K(o=-6.2!,f=-0.48) USER MOD Set 2.2: A 84 CYS SG : rot -150:sc= -0.201 USER MOD Set 3.1: A 21 MET CE :methyl -135:sc= -13.5! (180deg=-16.5!) USER MOD Set 3.2: A 33 SER OG : rot -120:sc= -0.494 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.0996 (180deg=-0.682) USER MOD Single : A 1 MET N :NH3+ -158:sc= 1.01 (180deg=0.423!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 150:sc= -0.666 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -5.32! K(o=-5.3!,f=-0.14) USER MOD Single : A 11 GLN : amide:sc= -1.25! K(o=-1.3!,f=0) USER MOD Single : A 15 ASN : amide:sc= -6.89! C(o=-6.9!,f=-14!) USER MOD Single : A 20 TYR OH : rot 180:sc= -1.09 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 3:sc= 1.03 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc=-0.00432 USER MOD Single : A 30 CYS SG : rot -111:sc= 0.307! USER MOD Single : A 38 GLN : amide:sc= -3.9! K(o=-3.9!,f=-0.91) USER MOD Single : A 43 CYS SG : rot -23:sc= -4! USER MOD Single : A 49 TYR OH : rot 180:sc=-0.000861 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot -62:sc= -2.31! USER MOD Single : A 67 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.3) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0053 USER MOD Single : A 73 GLN : amide:sc= -5.03! C(o=-5!,f=-4.8!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc=-0.000625 K(o=-0.00063,f=-0.76) USER MOD Single : A 97 GLN : amide:sc= -0.996 K(o=-1,f=-1.9) USER MOD Single : A 98 GLN : amide:sc= -2.49 K(o=-2.5,f=-0.31) USER MOD Single : A 101 LYS NZ :NH3+ 169:sc=-0.00427 (180deg=-0.118) USER MOD Single : A 103 THR OG1 : rot 83:sc= 0.125 USER MOD Single : A 106 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0367) USER MOD Single : A 107 TYR OH : rot 180:sc= 1.16 USER MOD Single : A 108 LYS NZ :NH3+ -119:sc= -1.21! (180deg=-1.63!) USER MOD Single : A 109 SER OG : rot 180:sc= 0.0142 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.952 8.040 -0.956 1.00 0.00 N ATOM 2 CA MET A 1 21.724 8.533 -0.298 1.00 0.00 C ATOM 3 C MET A 1 20.739 9.044 -1.340 1.00 0.00 C ATOM 4 O MET A 1 21.114 9.769 -2.262 1.00 0.00 O ATOM 5 CB MET A 1 22.081 9.646 0.705 1.00 0.00 C ATOM 6 CG MET A 1 22.739 10.880 0.095 1.00 0.00 C ATOM 7 SD MET A 1 24.367 10.551 -0.615 1.00 0.00 S ATOM 8 CE MET A 1 25.276 10.015 0.834 1.00 0.00 C ATOM 0 H1 MET A 1 23.442 7.375 -0.324 1.00 0.00 H new ATOM 0 H2 MET A 1 22.701 7.555 -1.841 1.00 0.00 H new ATOM 0 H3 MET A 1 23.579 8.843 -1.167 1.00 0.00 H new ATOM 0 HA MET A 1 21.253 7.713 0.244 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.171 9.955 1.220 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.750 9.233 1.460 1.00 0.00 H new ATOM 0 HG2 MET A 1 22.088 11.283 -0.680 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.834 11.648 0.862 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.346 10.100 0.644 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.008 10.642 1.684 1.00 0.00 H new ATOM 0 HE3 MET A 1 25.028 8.977 1.056 1.00 0.00 H new ATOM 20 N SER A 2 19.496 8.608 -1.226 1.00 0.00 N ATOM 21 CA SER A 2 18.470 8.952 -2.199 1.00 0.00 C ATOM 22 C SER A 2 17.096 8.553 -1.683 1.00 0.00 C ATOM 23 O SER A 2 16.139 9.322 -1.776 1.00 0.00 O ATOM 24 CB SER A 2 18.765 8.263 -3.540 1.00 0.00 C ATOM 25 OG SER A 2 18.914 6.860 -3.376 1.00 0.00 O ATOM 0 H SER A 2 19.170 8.012 -0.465 1.00 0.00 H new ATOM 0 HA SER A 2 18.477 10.031 -2.353 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.956 8.466 -4.242 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.674 8.680 -3.973 1.00 0.00 H new ATOM 0 HG SER A 2 19.099 6.447 -4.245 1.00 0.00 H new ATOM 31 N THR A 3 17.021 7.364 -1.098 1.00 0.00 N ATOM 32 CA THR A 3 15.791 6.851 -0.511 1.00 0.00 C ATOM 33 C THR A 3 15.460 7.541 0.816 1.00 0.00 C ATOM 34 O THR A 3 15.094 6.885 1.793 1.00 0.00 O ATOM 35 CB THR A 3 15.889 5.328 -0.296 1.00 0.00 C ATOM 36 OG1 THR A 3 17.055 5.012 0.479 1.00 0.00 O ATOM 37 CG2 THR A 3 15.946 4.606 -1.630 1.00 0.00 C ATOM 0 H THR A 3 17.814 6.727 -1.017 1.00 0.00 H new ATOM 0 HA THR A 3 14.985 7.067 -1.213 1.00 0.00 H new ATOM 0 HB THR A 3 15.001 4.998 0.244 1.00 0.00 H new ATOM 0 HG1 THR A 3 17.107 4.042 0.611 1.00 0.00 H new ATOM 0 HG21 THR A 3 16.015 3.532 -1.460 1.00 0.00 H new ATOM 0 HG22 THR A 3 15.044 4.826 -2.201 1.00 0.00 H new ATOM 0 HG23 THR A 3 16.820 4.942 -2.188 1.00 0.00 H new ATOM 45 N THR A 4 15.559 8.863 0.834 1.00 0.00 N ATOM 46 CA THR A 4 15.234 9.635 2.017 1.00 0.00 C ATOM 47 C THR A 4 13.734 9.602 2.282 1.00 0.00 C ATOM 48 O THR A 4 12.924 9.712 1.358 1.00 0.00 O ATOM 49 CB THR A 4 15.726 11.096 1.901 1.00 0.00 C ATOM 50 OG1 THR A 4 15.184 11.719 0.730 1.00 0.00 O ATOM 51 CG2 THR A 4 17.246 11.156 1.846 1.00 0.00 C ATOM 0 H THR A 4 15.864 9.422 0.037 1.00 0.00 H new ATOM 0 HA THR A 4 15.753 9.176 2.859 1.00 0.00 H new ATOM 0 HB THR A 4 15.382 11.631 2.786 1.00 0.00 H new ATOM 0 HG1 THR A 4 15.079 12.680 0.890 1.00 0.00 H new ATOM 0 HG21 THR A 4 17.566 12.195 1.764 1.00 0.00 H new ATOM 0 HG22 THR A 4 17.660 10.719 2.754 1.00 0.00 H new ATOM 0 HG23 THR A 4 17.601 10.598 0.980 1.00 0.00 H new ATOM 59 N ILE A 5 13.376 9.441 3.545 1.00 0.00 N ATOM 60 CA ILE A 5 11.983 9.382 3.959 1.00 0.00 C ATOM 61 C ILE A 5 11.223 10.643 3.561 1.00 0.00 C ATOM 62 O ILE A 5 10.044 10.578 3.224 1.00 0.00 O ATOM 63 CB ILE A 5 11.873 9.114 5.476 1.00 0.00 C ATOM 64 CG1 ILE A 5 12.243 7.664 5.766 1.00 0.00 C ATOM 65 CG2 ILE A 5 10.469 9.387 5.971 1.00 0.00 C ATOM 66 CD1 ILE A 5 12.520 7.374 7.225 1.00 0.00 C ATOM 0 H ILE A 5 14.042 9.348 4.312 1.00 0.00 H new ATOM 0 HA ILE A 5 11.516 8.548 3.434 1.00 0.00 H new ATOM 0 HB ILE A 5 12.559 9.782 5.996 1.00 0.00 H new ATOM 0 HG12 ILE A 5 11.432 7.019 5.427 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.125 7.402 5.181 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.416 9.191 7.042 1.00 0.00 H new ATOM 0 HG22 ILE A 5 10.212 10.429 5.779 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.766 8.738 5.448 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.775 6.321 7.345 1.00 0.00 H new ATOM 0 HD12 ILE A 5 13.352 7.990 7.567 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.633 7.601 7.816 1.00 0.00 H new ATOM 78 N GLU A 6 11.918 11.772 3.528 1.00 0.00 N ATOM 79 CA GLU A 6 11.315 13.024 3.087 1.00 0.00 C ATOM 80 C GLU A 6 10.716 12.878 1.688 1.00 0.00 C ATOM 81 O GLU A 6 9.551 13.211 1.463 1.00 0.00 O ATOM 82 CB GLU A 6 12.357 14.143 3.088 1.00 0.00 C ATOM 83 CG GLU A 6 12.964 14.403 4.456 1.00 0.00 C ATOM 84 CD GLU A 6 11.945 14.880 5.474 1.00 0.00 C ATOM 85 OE1 GLU A 6 10.762 15.065 5.113 1.00 0.00 O ATOM 86 OE2 GLU A 6 12.324 15.082 6.645 1.00 0.00 O ATOM 0 H GLU A 6 12.898 11.847 3.801 1.00 0.00 H new ATOM 0 HA GLU A 6 10.515 13.277 3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.153 13.888 2.388 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.894 15.060 2.724 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.432 13.488 4.820 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.753 15.149 4.362 1.00 0.00 H new ATOM 93 N LYS A 7 11.486 12.289 0.778 1.00 0.00 N ATOM 94 CA LYS A 7 10.997 12.001 -0.563 1.00 0.00 C ATOM 95 C LYS A 7 9.907 10.937 -0.516 1.00 0.00 C ATOM 96 O LYS A 7 8.917 11.012 -1.245 1.00 0.00 O ATOM 97 CB LYS A 7 12.131 11.519 -1.471 1.00 0.00 C ATOM 98 CG LYS A 7 13.251 12.526 -1.661 1.00 0.00 C ATOM 99 CD LYS A 7 14.302 11.993 -2.621 1.00 0.00 C ATOM 100 CE LYS A 7 15.447 12.974 -2.802 1.00 0.00 C ATOM 101 NZ LYS A 7 16.443 12.482 -3.792 1.00 0.00 N ATOM 0 H LYS A 7 12.450 12.003 0.946 1.00 0.00 H new ATOM 0 HA LYS A 7 10.587 12.926 -0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.549 10.602 -1.055 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.717 11.266 -2.447 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.843 13.461 -2.044 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.712 12.750 -0.699 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.690 11.046 -2.246 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.842 11.789 -3.588 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.053 13.936 -3.130 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.938 13.140 -1.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.209 13.178 -3.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.837 11.576 -3.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.979 12.347 -4.713 1.00 0.00 H new ATOM 115 N ILE A 8 10.147 9.904 0.284 1.00 0.00 N ATOM 116 CA ILE A 8 9.252 8.766 0.368 1.00 0.00 C ATOM 117 C ILE A 8 7.864 9.152 0.878 1.00 0.00 C ATOM 118 O ILE A 8 6.864 8.790 0.262 1.00 0.00 O ATOM 119 CB ILE A 8 9.866 7.662 1.249 1.00 0.00 C ATOM 120 CG1 ILE A 8 11.142 7.135 0.581 1.00 0.00 C ATOM 121 CG2 ILE A 8 8.860 6.552 1.481 1.00 0.00 C ATOM 122 CD1 ILE A 8 11.899 6.121 1.405 1.00 0.00 C ATOM 0 H ILE A 8 10.966 9.836 0.889 1.00 0.00 H new ATOM 0 HA ILE A 8 9.123 8.383 -0.644 1.00 0.00 H new ATOM 0 HB ILE A 8 10.129 8.072 2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.878 6.685 -0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 8 11.801 7.977 0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.308 5.779 2.105 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.980 6.957 1.981 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.567 6.121 0.524 1.00 0.00 H new ATOM 0 HD11 ILE A 8 12.787 5.800 0.861 1.00 0.00 H new ATOM 0 HD12 ILE A 8 12.197 6.571 2.352 1.00 0.00 H new ATOM 0 HD13 ILE A 8 11.260 5.259 1.598 1.00 0.00 H new ATOM 134 N GLN A 9 7.794 9.917 1.964 1.00 0.00 N ATOM 135 CA GLN A 9 6.503 10.363 2.481 1.00 0.00 C ATOM 136 C GLN A 9 5.786 11.246 1.479 1.00 0.00 C ATOM 137 O GLN A 9 4.588 11.094 1.263 1.00 0.00 O ATOM 138 CB GLN A 9 6.631 11.087 3.822 1.00 0.00 C ATOM 139 CG GLN A 9 7.041 10.186 4.971 1.00 0.00 C ATOM 140 CD GLN A 9 6.978 10.894 6.309 1.00 0.00 C ATOM 141 OE1 GLN A 9 5.941 11.435 6.693 1.00 0.00 O ATOM 142 NE2 GLN A 9 8.073 10.868 7.043 1.00 0.00 N ATOM 0 H GLN A 9 8.603 10.237 2.497 1.00 0.00 H new ATOM 0 HA GLN A 9 5.910 9.463 2.647 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.363 11.888 3.723 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.677 11.555 4.063 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.390 9.312 4.994 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.055 9.824 4.802 1.00 0.00 H new ATOM 0 HE21 GLN A 9 8.913 10.410 6.690 1.00 0.00 H new ATOM 0 HE22 GLN A 9 8.080 11.306 7.964 1.00 0.00 H new ATOM 151 N ARG A 10 6.541 12.100 0.808 1.00 0.00 N ATOM 152 CA ARG A 10 6.012 12.925 -0.242 1.00 0.00 C ATOM 153 C ARG A 10 5.403 12.066 -1.354 1.00 0.00 C ATOM 154 O ARG A 10 4.382 12.427 -1.942 1.00 0.00 O ATOM 155 CB ARG A 10 7.137 13.808 -0.758 1.00 0.00 C ATOM 156 CG ARG A 10 6.748 14.671 -1.922 1.00 0.00 C ATOM 157 CD ARG A 10 5.516 15.511 -1.626 1.00 0.00 C ATOM 158 NE ARG A 10 5.677 16.368 -0.452 1.00 0.00 N ATOM 159 CZ ARG A 10 4.708 17.147 0.029 1.00 0.00 C ATOM 160 NH1 ARG A 10 3.532 17.202 -0.586 1.00 0.00 N ATOM 161 NH2 ARG A 10 4.915 17.871 1.121 1.00 0.00 N ATOM 0 H ARG A 10 7.537 12.234 0.983 1.00 0.00 H new ATOM 0 HA ARG A 10 5.206 13.554 0.137 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.486 14.446 0.054 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.976 13.177 -1.051 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.580 15.327 -2.180 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.557 14.042 -2.791 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.289 16.131 -2.493 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.662 14.852 -1.473 1.00 0.00 H new ATOM 0 HE ARG A 10 6.579 16.370 0.024 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.370 16.648 -1.427 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.791 17.798 -0.217 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.817 17.833 1.595 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.172 18.466 1.487 1.00 0.00 H new ATOM 175 N GLN A 11 6.006 10.908 -1.596 1.00 0.00 N ATOM 176 CA GLN A 11 5.497 9.972 -2.594 1.00 0.00 C ATOM 177 C GLN A 11 4.230 9.282 -2.102 1.00 0.00 C ATOM 178 O GLN A 11 3.242 9.218 -2.823 1.00 0.00 O ATOM 179 CB GLN A 11 6.564 8.930 -2.940 1.00 0.00 C ATOM 180 CG GLN A 11 6.128 7.941 -4.010 1.00 0.00 C ATOM 181 CD GLN A 11 7.195 6.908 -4.329 1.00 0.00 C ATOM 182 OE1 GLN A 11 6.999 6.037 -5.175 1.00 0.00 O ATOM 183 NE2 GLN A 11 8.326 6.990 -3.647 1.00 0.00 N ATOM 0 H GLN A 11 6.849 10.594 -1.115 1.00 0.00 H new ATOM 0 HA GLN A 11 5.250 10.538 -3.492 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.465 9.443 -3.277 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.829 8.381 -2.037 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.223 7.431 -3.680 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.873 8.486 -4.919 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.451 7.727 -2.953 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.073 6.316 -3.815 1.00 0.00 H new ATOM 192 N ILE A 12 4.282 8.734 -0.893 1.00 0.00 N ATOM 193 CA ILE A 12 3.152 7.997 -0.328 1.00 0.00 C ATOM 194 C ILE A 12 1.945 8.907 -0.139 1.00 0.00 C ATOM 195 O ILE A 12 0.797 8.506 -0.312 1.00 0.00 O ATOM 196 CB ILE A 12 3.507 7.357 1.028 1.00 0.00 C ATOM 197 CG1 ILE A 12 4.764 6.498 0.912 1.00 0.00 C ATOM 198 CG2 ILE A 12 2.346 6.520 1.536 1.00 0.00 C ATOM 199 CD1 ILE A 12 5.088 5.751 2.181 1.00 0.00 C ATOM 0 H ILE A 12 5.097 8.785 -0.282 1.00 0.00 H new ATOM 0 HA ILE A 12 2.910 7.207 -1.039 1.00 0.00 H new ATOM 0 HB ILE A 12 3.704 8.158 1.741 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.635 5.783 0.099 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.608 7.134 0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.611 6.074 2.495 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.468 7.154 1.661 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.125 5.731 0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.992 5.159 2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.248 6.462 2.991 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.259 5.091 2.436 1.00 0.00 H new ATOM 211 N ALA A 13 2.218 10.121 0.263 1.00 0.00 N ATOM 212 CA ALA A 13 1.167 11.088 0.517 1.00 0.00 C ATOM 213 C ALA A 13 0.397 11.420 -0.763 1.00 0.00 C ATOM 214 O ALA A 13 -0.783 11.773 -0.709 1.00 0.00 O ATOM 215 CB ALA A 13 1.741 12.355 1.136 1.00 0.00 C ATOM 0 H ALA A 13 3.163 10.471 0.424 1.00 0.00 H new ATOM 0 HA ALA A 13 0.468 10.641 1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.937 13.067 1.319 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.230 12.110 2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.468 12.796 0.454 1.00 0.00 H new ATOM 221 N GLU A 14 1.107 11.471 -1.890 1.00 0.00 N ATOM 222 CA GLU A 14 0.506 11.947 -3.130 1.00 0.00 C ATOM 223 C GLU A 14 -0.460 10.919 -3.727 1.00 0.00 C ATOM 224 O GLU A 14 -1.483 11.296 -4.299 1.00 0.00 O ATOM 225 CB GLU A 14 1.584 12.391 -4.137 1.00 0.00 C ATOM 226 CG GLU A 14 2.296 11.287 -4.903 1.00 0.00 C ATOM 227 CD GLU A 14 1.502 10.798 -6.104 1.00 0.00 C ATOM 228 OE1 GLU A 14 1.082 11.646 -6.923 1.00 0.00 O ATOM 229 OE2 GLU A 14 1.334 9.573 -6.269 1.00 0.00 O ATOM 0 H GLU A 14 2.085 11.192 -1.968 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.091 12.827 -2.891 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.120 13.062 -4.860 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.334 12.971 -3.599 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.267 11.652 -5.239 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.485 10.449 -4.232 1.00 0.00 H new ATOM 236 N ASN A 15 -0.151 9.627 -3.602 1.00 0.00 N ATOM 237 CA ASN A 15 -1.036 8.598 -4.153 1.00 0.00 C ATOM 238 C ASN A 15 -2.251 8.384 -3.269 1.00 0.00 C ATOM 239 O ASN A 15 -2.145 8.263 -2.048 1.00 0.00 O ATOM 240 CB ASN A 15 -0.308 7.267 -4.393 1.00 0.00 C ATOM 241 CG ASN A 15 1.050 7.219 -3.741 1.00 0.00 C ATOM 242 OD1 ASN A 15 1.159 7.303 -2.537 1.00 0.00 O ATOM 243 ND2 ASN A 15 2.098 7.089 -4.540 1.00 0.00 N ATOM 0 H ASN A 15 0.685 9.273 -3.136 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.371 8.967 -5.122 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.919 6.450 -4.010 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.197 7.107 -5.465 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.038 7.056 -4.146 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.965 7.021 -5.549 1.00 0.00 H new ATOM 250 N PRO A 16 -3.435 8.381 -3.897 1.00 0.00 N ATOM 251 CA PRO A 16 -4.715 8.232 -3.198 1.00 0.00 C ATOM 252 C PRO A 16 -4.806 6.936 -2.430 1.00 0.00 C ATOM 253 O PRO A 16 -5.302 6.889 -1.308 1.00 0.00 O ATOM 254 CB PRO A 16 -5.732 8.201 -4.345 1.00 0.00 C ATOM 255 CG PRO A 16 -5.069 8.913 -5.466 1.00 0.00 C ATOM 256 CD PRO A 16 -3.617 8.573 -5.348 1.00 0.00 C ATOM 0 HA PRO A 16 -4.868 9.026 -2.467 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.984 7.177 -4.622 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.663 8.692 -4.061 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.471 8.593 -6.427 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.228 9.989 -5.397 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.367 7.672 -5.908 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.983 9.373 -5.731 1.00 0.00 H new ATOM 264 N ILE A 17 -4.335 5.885 -3.060 1.00 0.00 N ATOM 265 CA ILE A 17 -4.372 4.558 -2.490 1.00 0.00 C ATOM 266 C ILE A 17 -3.075 3.876 -2.882 1.00 0.00 C ATOM 267 O ILE A 17 -2.707 3.896 -4.054 1.00 0.00 O ATOM 268 CB ILE A 17 -5.566 3.744 -3.060 1.00 0.00 C ATOM 269 CG1 ILE A 17 -6.900 4.506 -2.934 1.00 0.00 C ATOM 270 CG2 ILE A 17 -5.677 2.397 -2.369 1.00 0.00 C ATOM 271 CD1 ILE A 17 -7.346 4.782 -1.509 1.00 0.00 C ATOM 0 H ILE A 17 -3.913 5.927 -3.988 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.491 4.616 -1.408 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.367 3.590 -4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.811 5.456 -3.462 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.678 3.933 -3.438 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.520 1.844 -2.784 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.759 1.831 -2.526 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.832 2.548 -1.301 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.293 5.321 -1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.473 3.838 -0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.592 5.385 -1.002 1.00 0.00 H new ATOM 283 N LEU A 18 -2.300 3.449 -1.902 1.00 0.00 N ATOM 284 CA LEU A 18 -0.957 2.975 -2.177 1.00 0.00 C ATOM 285 C LEU A 18 -0.690 1.642 -1.493 1.00 0.00 C ATOM 286 O LEU A 18 -1.198 1.369 -0.412 1.00 0.00 O ATOM 287 CB LEU A 18 0.067 4.008 -1.719 1.00 0.00 C ATOM 288 CG LEU A 18 1.488 3.760 -2.214 1.00 0.00 C ATOM 289 CD1 LEU A 18 1.520 3.755 -3.733 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.425 4.825 -1.667 1.00 0.00 C ATOM 0 H LEU A 18 -2.573 3.421 -0.920 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.867 2.828 -3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.254 4.993 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.076 4.033 -0.629 1.00 0.00 H new ATOM 0 HG LEU A 18 1.822 2.786 -1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.540 3.577 -4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.869 2.966 -4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.175 4.719 -4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.437 4.639 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.095 5.808 -2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.415 4.793 -0.578 1.00 0.00 H new ATOM 302 N LEU A 19 0.041 0.792 -2.180 1.00 0.00 N ATOM 303 CA LEU A 19 0.322 -0.555 -1.722 1.00 0.00 C ATOM 304 C LEU A 19 1.777 -0.903 -1.968 1.00 0.00 C ATOM 305 O LEU A 19 2.224 -0.929 -3.101 1.00 0.00 O ATOM 306 CB LEU A 19 -0.588 -1.519 -2.482 1.00 0.00 C ATOM 307 CG LEU A 19 -0.156 -2.983 -2.493 1.00 0.00 C ATOM 308 CD1 LEU A 19 -0.038 -3.537 -1.079 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.141 -3.798 -3.305 1.00 0.00 C ATOM 0 H LEU A 19 0.462 1.017 -3.081 1.00 0.00 H new ATOM 0 HA LEU A 19 0.135 -0.630 -0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.587 -1.459 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.665 -1.176 -3.514 1.00 0.00 H new ATOM 0 HG LEU A 19 0.830 -3.049 -2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.271 -4.581 -1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.703 -2.962 -0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.003 -3.465 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.831 -4.843 -3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.133 -3.717 -2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.169 -3.421 -4.328 1.00 0.00 H new ATOM 321 N TYR A 20 2.506 -1.239 -0.923 1.00 0.00 N ATOM 322 CA TYR A 20 3.884 -1.646 -1.101 1.00 0.00 C ATOM 323 C TYR A 20 4.018 -3.154 -1.118 1.00 0.00 C ATOM 324 O TYR A 20 3.854 -3.806 -0.089 1.00 0.00 O ATOM 325 CB TYR A 20 4.771 -1.053 -0.010 1.00 0.00 C ATOM 326 CG TYR A 20 5.093 0.406 -0.218 1.00 0.00 C ATOM 327 CD1 TYR A 20 4.099 1.366 -0.313 1.00 0.00 C ATOM 328 CD2 TYR A 20 6.411 0.815 -0.334 1.00 0.00 C ATOM 329 CE1 TYR A 20 4.418 2.689 -0.518 1.00 0.00 C ATOM 330 CE2 TYR A 20 6.732 2.133 -0.548 1.00 0.00 C ATOM 331 CZ TYR A 20 5.735 3.068 -0.639 1.00 0.00 C ATOM 332 OH TYR A 20 6.057 4.385 -0.866 1.00 0.00 O ATOM 0 H TYR A 20 2.175 -1.239 0.042 1.00 0.00 H new ATOM 0 HA TYR A 20 4.214 -1.265 -2.067 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.276 -1.173 0.954 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.702 -1.618 0.037 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.063 1.073 -0.225 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.202 0.083 -0.255 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.635 3.430 -0.584 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.766 2.431 -0.644 1.00 0.00 H new ATOM 0 HH TYR A 20 7.031 4.478 -0.924 1.00 0.00 H new ATOM 342 N MET A 21 4.443 -3.693 -2.257 1.00 0.00 N ATOM 343 CA MET A 21 4.747 -5.108 -2.355 1.00 0.00 C ATOM 344 C MET A 21 5.883 -5.387 -3.360 1.00 0.00 C ATOM 345 O MET A 21 6.789 -4.572 -3.512 1.00 0.00 O ATOM 346 CB MET A 21 3.478 -5.890 -2.671 1.00 0.00 C ATOM 347 CG MET A 21 2.733 -5.433 -3.911 1.00 0.00 C ATOM 348 SD MET A 21 1.066 -6.121 -3.987 1.00 0.00 S ATOM 349 CE MET A 21 1.386 -7.874 -3.835 1.00 0.00 C ATOM 0 H MET A 21 4.583 -3.169 -3.121 1.00 0.00 H new ATOM 0 HA MET A 21 5.120 -5.451 -1.390 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.738 -6.942 -2.789 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.805 -5.822 -1.816 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.677 -4.344 -3.920 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.290 -5.731 -4.799 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.793 -8.417 -4.571 1.00 0.00 H new ATOM 0 HE2 MET A 21 2.445 -8.067 -4.008 1.00 0.00 H new ATOM 0 HE3 MET A 21 1.115 -8.208 -2.833 1.00 0.00 H new ATOM 359 N LYS A 22 5.954 -6.607 -3.893 1.00 0.00 N ATOM 360 CA LYS A 22 7.129 -7.000 -4.677 1.00 0.00 C ATOM 361 C LYS A 22 6.892 -6.867 -6.167 1.00 0.00 C ATOM 362 O LYS A 22 5.981 -7.457 -6.708 1.00 0.00 O ATOM 363 CB LYS A 22 7.546 -8.435 -4.350 1.00 0.00 C ATOM 364 CG LYS A 22 8.792 -8.883 -5.100 1.00 0.00 C ATOM 365 CD LYS A 22 9.263 -10.257 -4.652 1.00 0.00 C ATOM 366 CE LYS A 22 10.530 -10.671 -5.384 1.00 0.00 C ATOM 367 NZ LYS A 22 11.060 -11.971 -4.898 1.00 0.00 N ATOM 0 H LYS A 22 5.234 -7.324 -3.802 1.00 0.00 H new ATOM 0 HA LYS A 22 7.933 -6.317 -4.401 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.725 -8.519 -3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.724 -9.109 -4.590 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.584 -8.902 -6.170 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.590 -8.157 -4.943 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.447 -10.249 -3.578 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.478 -10.991 -4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.324 -10.741 -6.452 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.290 -9.900 -5.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.923 -12.213 -5.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.282 -11.898 -3.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.346 -12.713 -5.044 1.00 0.00 H new ATOM 381 N GLY A 23 7.767 -6.142 -6.828 1.00 0.00 N ATOM 382 CA GLY A 23 7.671 -5.984 -8.264 1.00 0.00 C ATOM 383 C GLY A 23 8.560 -6.952 -9.012 1.00 0.00 C ATOM 384 O GLY A 23 9.536 -6.547 -9.637 1.00 0.00 O ATOM 0 H GLY A 23 8.551 -5.653 -6.396 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.637 -6.131 -8.574 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.943 -4.963 -8.533 1.00 0.00 H new ATOM 388 N SER A 24 8.229 -8.234 -8.943 1.00 0.00 N ATOM 389 CA SER A 24 9.019 -9.250 -9.628 1.00 0.00 C ATOM 390 C SER A 24 8.700 -9.242 -11.123 1.00 0.00 C ATOM 391 O SER A 24 7.576 -8.942 -11.515 1.00 0.00 O ATOM 392 CB SER A 24 8.775 -10.637 -9.015 1.00 0.00 C ATOM 393 OG SER A 24 7.407 -10.998 -9.061 1.00 0.00 O ATOM 0 H SER A 24 7.427 -8.594 -8.425 1.00 0.00 H new ATOM 0 HA SER A 24 10.076 -9.016 -9.501 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.365 -11.380 -9.551 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.118 -10.643 -7.980 1.00 0.00 H new ATOM 0 HG SER A 24 6.900 -10.300 -9.525 1.00 0.00 H new ATOM 399 N PRO A 25 9.691 -9.506 -11.988 1.00 0.00 N ATOM 400 CA PRO A 25 9.502 -9.469 -13.442 1.00 0.00 C ATOM 401 C PRO A 25 8.305 -10.310 -13.889 1.00 0.00 C ATOM 402 O PRO A 25 7.519 -9.893 -14.738 1.00 0.00 O ATOM 403 CB PRO A 25 10.810 -10.054 -14.002 1.00 0.00 C ATOM 404 CG PRO A 25 11.555 -10.590 -12.821 1.00 0.00 C ATOM 405 CD PRO A 25 11.082 -9.804 -11.634 1.00 0.00 C ATOM 0 HA PRO A 25 9.294 -8.459 -13.796 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.607 -10.842 -14.727 1.00 0.00 H new ATOM 0 HB3 PRO A 25 11.391 -9.289 -14.517 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.358 -11.654 -12.687 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.631 -10.480 -12.957 1.00 0.00 H new ATOM 0 HD2 PRO A 25 11.152 -10.380 -10.711 1.00 0.00 H new ATOM 0 HD3 PRO A 25 11.668 -8.896 -11.488 1.00 0.00 H new ATOM 413 N LYS A 26 8.164 -11.483 -13.284 1.00 0.00 N ATOM 414 CA LYS A 26 7.057 -12.388 -13.580 1.00 0.00 C ATOM 415 C LYS A 26 5.709 -11.823 -13.116 1.00 0.00 C ATOM 416 O LYS A 26 4.662 -12.217 -13.631 1.00 0.00 O ATOM 417 CB LYS A 26 7.298 -13.758 -12.941 1.00 0.00 C ATOM 418 CG LYS A 26 7.455 -13.713 -11.430 1.00 0.00 C ATOM 419 CD LYS A 26 7.633 -15.105 -10.844 1.00 0.00 C ATOM 420 CE LYS A 26 8.874 -15.792 -11.390 1.00 0.00 C ATOM 421 NZ LYS A 26 9.025 -17.171 -10.857 1.00 0.00 N ATOM 0 H LYS A 26 8.810 -11.834 -12.577 1.00 0.00 H new ATOM 0 HA LYS A 26 7.014 -12.498 -14.664 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.466 -14.416 -13.191 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.195 -14.199 -13.377 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.315 -13.096 -11.171 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.579 -13.240 -10.986 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.703 -15.036 -9.758 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.754 -15.709 -11.069 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.820 -15.827 -12.478 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.756 -15.205 -11.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.883 -17.605 -11.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.102 -17.136 -9.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.195 -17.739 -11.123 1.00 0.00 H new ATOM 435 N LEU A 27 5.727 -11.007 -12.068 1.00 0.00 N ATOM 436 CA LEU A 27 4.494 -10.519 -11.461 1.00 0.00 C ATOM 437 C LEU A 27 4.810 -9.261 -10.649 1.00 0.00 C ATOM 438 O LEU A 27 5.615 -9.310 -9.722 1.00 0.00 O ATOM 439 CB LEU A 27 3.950 -11.614 -10.531 1.00 0.00 C ATOM 440 CG LEU A 27 2.448 -11.576 -10.199 1.00 0.00 C ATOM 441 CD1 LEU A 27 2.083 -12.737 -9.289 1.00 0.00 C ATOM 442 CD2 LEU A 27 2.038 -10.268 -9.555 1.00 0.00 C ATOM 0 H LEU A 27 6.580 -10.670 -11.622 1.00 0.00 H new ATOM 0 HA LEU A 27 3.754 -10.280 -12.225 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.171 -12.581 -10.983 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.504 -11.566 -9.593 1.00 0.00 H new ATOM 0 HG LEU A 27 1.906 -11.663 -11.141 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.018 -12.700 -9.061 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.314 -13.678 -9.789 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.655 -12.668 -8.364 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.970 -10.288 -9.339 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.593 -10.129 -8.627 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.255 -9.444 -10.235 1.00 0.00 H new ATOM 454 N PRO A 28 4.228 -8.109 -11.007 1.00 0.00 N ATOM 455 CA PRO A 28 4.513 -6.831 -10.338 1.00 0.00 C ATOM 456 C PRO A 28 4.021 -6.749 -8.895 1.00 0.00 C ATOM 457 O PRO A 28 3.895 -5.656 -8.344 1.00 0.00 O ATOM 458 CB PRO A 28 3.745 -5.809 -11.172 1.00 0.00 C ATOM 459 CG PRO A 28 2.723 -6.581 -11.924 1.00 0.00 C ATOM 460 CD PRO A 28 3.298 -7.943 -12.134 1.00 0.00 C ATOM 0 HA PRO A 28 5.590 -6.677 -10.279 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.277 -5.058 -10.535 1.00 0.00 H new ATOM 0 HB3 PRO A 28 4.412 -5.279 -11.852 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.788 -6.635 -11.366 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.498 -6.103 -12.877 1.00 0.00 H new ATOM 0 HD2 PRO A 28 2.523 -8.709 -12.129 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.813 -8.016 -13.092 1.00 0.00 H new ATOM 468 N SER A 29 3.739 -7.885 -8.286 1.00 0.00 N ATOM 469 CA SER A 29 3.254 -7.906 -6.929 1.00 0.00 C ATOM 470 C SER A 29 3.357 -9.285 -6.292 1.00 0.00 C ATOM 471 O SER A 29 2.368 -9.857 -5.839 1.00 0.00 O ATOM 472 CB SER A 29 1.851 -7.342 -6.880 1.00 0.00 C ATOM 473 OG SER A 29 1.018 -7.884 -7.892 1.00 0.00 O ATOM 0 H SER A 29 3.839 -8.805 -8.715 1.00 0.00 H new ATOM 0 HA SER A 29 3.898 -7.268 -6.325 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.413 -7.547 -5.903 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.893 -6.258 -6.989 1.00 0.00 H new ATOM 0 HG SER A 29 0.122 -7.494 -7.822 1.00 0.00 H new ATOM 479 N CYS A 30 4.578 -9.780 -6.194 1.00 0.00 N ATOM 480 CA CYS A 30 4.828 -11.046 -5.518 1.00 0.00 C ATOM 481 C CYS A 30 4.872 -10.827 -3.986 1.00 0.00 C ATOM 482 O CYS A 30 4.152 -9.978 -3.450 1.00 0.00 O ATOM 483 CB CYS A 30 6.139 -11.648 -6.049 1.00 0.00 C ATOM 484 SG CYS A 30 6.506 -13.325 -5.479 1.00 0.00 S ATOM 0 H CYS A 30 5.411 -9.328 -6.572 1.00 0.00 H new ATOM 0 HA CYS A 30 4.021 -11.750 -5.723 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.103 -11.652 -7.138 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.963 -10.995 -5.760 1.00 0.00 H new ATOM 0 HG CYS A 30 7.529 -13.297 -4.677 1.00 0.00 H new ATOM 490 N GLY A 31 5.751 -11.552 -3.300 1.00 0.00 N ATOM 491 CA GLY A 31 5.915 -11.405 -1.860 1.00 0.00 C ATOM 492 C GLY A 31 4.687 -11.825 -1.065 1.00 0.00 C ATOM 493 O GLY A 31 3.917 -12.680 -1.505 1.00 0.00 O ATOM 0 H GLY A 31 6.363 -12.250 -3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.769 -12.000 -1.537 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.147 -10.365 -1.633 1.00 0.00 H new ATOM 497 N PHE A 32 4.513 -11.241 0.118 1.00 0.00 N ATOM 498 CA PHE A 32 3.384 -11.587 0.979 1.00 0.00 C ATOM 499 C PHE A 32 2.096 -10.946 0.546 1.00 0.00 C ATOM 500 O PHE A 32 1.046 -11.483 0.794 1.00 0.00 O ATOM 501 CB PHE A 32 3.613 -11.237 2.443 1.00 0.00 C ATOM 502 CG PHE A 32 4.310 -12.303 3.214 1.00 0.00 C ATOM 503 CD1 PHE A 32 5.674 -12.490 3.107 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.579 -13.108 4.068 1.00 0.00 C ATOM 505 CE1 PHE A 32 6.306 -13.477 3.839 1.00 0.00 C ATOM 506 CE2 PHE A 32 4.202 -14.097 4.803 1.00 0.00 C ATOM 507 CZ PHE A 32 5.569 -14.282 4.688 1.00 0.00 C ATOM 0 H PHE A 32 5.135 -10.530 0.501 1.00 0.00 H new ATOM 0 HA PHE A 32 3.304 -12.669 0.877 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.198 -10.319 2.500 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.651 -11.032 2.913 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.251 -11.860 2.446 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.513 -12.962 4.161 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.373 -13.619 3.748 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.624 -14.724 5.466 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.060 -15.055 5.261 1.00 0.00 H new ATOM 517 N SER A 33 2.157 -9.737 0.049 1.00 0.00 N ATOM 518 CA SER A 33 0.947 -8.976 -0.242 1.00 0.00 C ATOM 519 C SER A 33 0.044 -9.692 -1.266 1.00 0.00 C ATOM 520 O SER A 33 -1.051 -9.230 -1.552 1.00 0.00 O ATOM 521 CB SER A 33 1.312 -7.578 -0.706 1.00 0.00 C ATOM 522 OG SER A 33 0.166 -6.773 -0.907 1.00 0.00 O ATOM 0 H SER A 33 3.027 -9.250 -0.166 1.00 0.00 H new ATOM 0 HA SER A 33 0.368 -8.898 0.679 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.961 -7.108 0.033 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.879 -7.640 -1.635 1.00 0.00 H new ATOM 0 HG SER A 33 0.132 -6.480 -1.841 1.00 0.00 H new ATOM 528 N ALA A 34 0.537 -10.788 -1.844 1.00 0.00 N ATOM 529 CA ALA A 34 -0.192 -11.547 -2.864 1.00 0.00 C ATOM 530 C ALA A 34 -1.664 -11.781 -2.494 1.00 0.00 C ATOM 531 O ALA A 34 -2.542 -11.628 -3.337 1.00 0.00 O ATOM 532 CB ALA A 34 0.502 -12.877 -3.112 1.00 0.00 C ATOM 0 H ALA A 34 1.453 -11.176 -1.619 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.186 -10.948 -3.775 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.045 -13.437 -3.871 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.520 -12.697 -3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.528 -13.452 -2.186 1.00 0.00 H new ATOM 538 N GLN A 35 -1.948 -12.114 -1.237 1.00 0.00 N ATOM 539 CA GLN A 35 -3.343 -12.299 -0.815 1.00 0.00 C ATOM 540 C GLN A 35 -4.024 -10.936 -0.672 1.00 0.00 C ATOM 541 O GLN A 35 -5.214 -10.784 -0.951 1.00 0.00 O ATOM 542 CB GLN A 35 -3.489 -13.069 0.521 1.00 0.00 C ATOM 543 CG GLN A 35 -2.668 -14.349 0.625 1.00 0.00 C ATOM 544 CD GLN A 35 -1.217 -14.083 0.967 1.00 0.00 C ATOM 545 OE1 GLN A 35 -0.386 -14.991 0.966 1.00 0.00 O ATOM 546 NE2 GLN A 35 -0.916 -12.841 1.310 1.00 0.00 N ATOM 0 H GLN A 35 -1.253 -12.259 -0.505 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.818 -12.901 -1.590 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.203 -12.406 1.337 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.540 -13.318 0.666 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.104 -14.995 1.386 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -2.722 -14.889 -0.320 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.637 -12.119 1.296 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.037 -12.605 1.588 1.00 0.00 H new ATOM 555 N ALA A 36 -3.266 -9.978 -0.151 1.00 0.00 N ATOM 556 CA ALA A 36 -3.767 -8.644 0.157 1.00 0.00 C ATOM 557 C ALA A 36 -4.174 -7.875 -1.092 1.00 0.00 C ATOM 558 O ALA A 36 -5.215 -7.222 -1.115 1.00 0.00 O ATOM 559 CB ALA A 36 -2.706 -7.875 0.921 1.00 0.00 C ATOM 0 H ALA A 36 -2.279 -10.106 0.071 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.663 -8.756 0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.077 -6.877 1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.472 -8.400 1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.805 -7.795 0.312 1.00 0.00 H new ATOM 565 N VAL A 37 -3.340 -7.948 -2.117 1.00 0.00 N ATOM 566 CA VAL A 37 -3.593 -7.249 -3.370 1.00 0.00 C ATOM 567 C VAL A 37 -4.952 -7.644 -3.935 1.00 0.00 C ATOM 568 O VAL A 37 -5.689 -6.810 -4.465 1.00 0.00 O ATOM 569 CB VAL A 37 -2.471 -7.531 -4.404 1.00 0.00 C ATOM 570 CG1 VAL A 37 -2.380 -9.007 -4.753 1.00 0.00 C ATOM 571 CG2 VAL A 37 -2.665 -6.703 -5.663 1.00 0.00 C ATOM 0 H VAL A 37 -2.475 -8.488 -2.106 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.599 -6.179 -3.164 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.530 -7.240 -3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.582 -9.161 -5.480 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.165 -9.581 -3.852 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.327 -9.339 -5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.864 -6.922 -6.369 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.625 -6.949 -6.116 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.645 -5.643 -5.408 1.00 0.00 H new ATOM 581 N GLN A 38 -5.292 -8.916 -3.778 1.00 0.00 N ATOM 582 CA GLN A 38 -6.571 -9.423 -4.233 1.00 0.00 C ATOM 583 C GLN A 38 -7.692 -8.821 -3.395 1.00 0.00 C ATOM 584 O GLN A 38 -8.693 -8.353 -3.927 1.00 0.00 O ATOM 585 CB GLN A 38 -6.614 -10.954 -4.139 1.00 0.00 C ATOM 586 CG GLN A 38 -5.352 -11.657 -4.642 1.00 0.00 C ATOM 587 CD GLN A 38 -4.971 -11.331 -6.084 1.00 0.00 C ATOM 588 OE1 GLN A 38 -3.927 -11.771 -6.565 1.00 0.00 O ATOM 589 NE2 GLN A 38 -5.813 -10.598 -6.798 1.00 0.00 N ATOM 0 H GLN A 38 -4.694 -9.615 -3.337 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.705 -9.138 -5.277 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.782 -11.237 -3.100 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.469 -11.316 -4.710 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.520 -11.389 -3.991 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.493 -12.734 -4.552 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.671 -10.247 -6.372 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.603 -10.385 -7.773 1.00 0.00 H new ATOM 598 N ALA A 39 -7.486 -8.812 -2.080 1.00 0.00 N ATOM 599 CA ALA A 39 -8.449 -8.247 -1.139 1.00 0.00 C ATOM 600 C ALA A 39 -8.735 -6.778 -1.440 1.00 0.00 C ATOM 601 O ALA A 39 -9.879 -6.339 -1.356 1.00 0.00 O ATOM 602 CB ALA A 39 -7.933 -8.396 0.286 1.00 0.00 C ATOM 0 H ALA A 39 -6.650 -9.195 -1.638 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.384 -8.797 -1.247 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.657 -7.972 0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.788 -9.452 0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.983 -7.870 0.386 1.00 0.00 H new ATOM 608 N LEU A 40 -7.684 -6.008 -1.704 1.00 0.00 N ATOM 609 CA LEU A 40 -7.822 -4.569 -1.910 1.00 0.00 C ATOM 610 C LEU A 40 -8.715 -4.292 -3.107 1.00 0.00 C ATOM 611 O LEU A 40 -9.738 -3.618 -2.991 1.00 0.00 O ATOM 612 CB LEU A 40 -6.460 -3.947 -2.192 1.00 0.00 C ATOM 613 CG LEU A 40 -6.241 -2.524 -1.648 1.00 0.00 C ATOM 614 CD1 LEU A 40 -4.884 -1.988 -2.081 1.00 0.00 C ATOM 615 CD2 LEU A 40 -7.352 -1.574 -2.076 1.00 0.00 C ATOM 0 H LEU A 40 -6.728 -6.355 -1.780 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.257 -4.140 -1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.692 -4.597 -1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.307 -3.929 -3.271 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.265 -2.585 -0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.748 -0.981 -1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.097 -2.637 -1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.834 -1.961 -3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.158 -0.581 -1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.386 -1.521 -3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.308 -1.939 -1.700 1.00 0.00 H new ATOM 627 N ALA A 41 -8.309 -4.834 -4.249 1.00 0.00 N ATOM 628 CA ALA A 41 -9.047 -4.673 -5.492 1.00 0.00 C ATOM 629 C ALA A 41 -10.446 -5.237 -5.357 1.00 0.00 C ATOM 630 O ALA A 41 -11.390 -4.748 -5.970 1.00 0.00 O ATOM 631 CB ALA A 41 -8.309 -5.353 -6.637 1.00 0.00 C ATOM 0 H ALA A 41 -7.462 -5.395 -4.338 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.125 -3.608 -5.712 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.873 -5.224 -7.561 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.321 -4.906 -6.750 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.204 -6.416 -6.421 1.00 0.00 H new ATOM 637 N ALA A 42 -10.565 -6.276 -4.548 1.00 0.00 N ATOM 638 CA ALA A 42 -11.855 -6.913 -4.330 1.00 0.00 C ATOM 639 C ALA A 42 -12.789 -6.008 -3.542 1.00 0.00 C ATOM 640 O ALA A 42 -13.970 -5.885 -3.869 1.00 0.00 O ATOM 641 CB ALA A 42 -11.690 -8.244 -3.613 1.00 0.00 C ATOM 0 H ALA A 42 -9.790 -6.695 -4.034 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.299 -7.097 -5.309 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.669 -8.700 -3.462 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.070 -8.907 -4.216 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.213 -8.080 -2.647 1.00 0.00 H new ATOM 647 N CYS A 43 -12.284 -5.461 -2.445 1.00 0.00 N ATOM 648 CA CYS A 43 -13.112 -4.672 -1.551 1.00 0.00 C ATOM 649 C CYS A 43 -13.423 -3.288 -2.139 1.00 0.00 C ATOM 650 O CYS A 43 -14.587 -2.909 -2.267 1.00 0.00 O ATOM 651 CB CYS A 43 -12.435 -4.559 -0.184 1.00 0.00 C ATOM 652 SG CYS A 43 -10.832 -3.720 -0.184 1.00 0.00 S ATOM 0 H CYS A 43 -11.310 -5.550 -2.156 1.00 0.00 H new ATOM 0 HA CYS A 43 -14.068 -5.181 -1.427 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -13.105 -4.028 0.492 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -12.302 -5.562 0.222 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.305 -3.791 -1.370 1.00 0.00 H new ATOM 658 N GLY A 44 -12.379 -2.553 -2.506 1.00 0.00 N ATOM 659 CA GLY A 44 -12.545 -1.233 -3.092 1.00 0.00 C ATOM 660 C GLY A 44 -12.365 -1.228 -4.594 1.00 0.00 C ATOM 661 O GLY A 44 -12.947 -2.043 -5.308 1.00 0.00 O ATOM 0 H GLY A 44 -11.409 -2.852 -2.407 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.538 -0.856 -2.849 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.825 -0.549 -2.643 1.00 0.00 H new ATOM 665 N GLU A 45 -11.538 -0.304 -5.058 1.00 0.00 N ATOM 666 CA GLU A 45 -11.232 -0.153 -6.469 1.00 0.00 C ATOM 667 C GLU A 45 -9.757 0.175 -6.654 1.00 0.00 C ATOM 668 O GLU A 45 -8.903 -0.345 -5.934 1.00 0.00 O ATOM 669 CB GLU A 45 -12.088 0.921 -7.152 1.00 0.00 C ATOM 670 CG GLU A 45 -13.577 0.630 -7.164 1.00 0.00 C ATOM 671 CD GLU A 45 -14.331 1.579 -8.069 1.00 0.00 C ATOM 672 OE1 GLU A 45 -14.227 2.804 -7.881 1.00 0.00 O ATOM 673 OE2 GLU A 45 -15.029 1.098 -8.988 1.00 0.00 O ATOM 0 H GLU A 45 -11.057 0.367 -4.459 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.467 -1.105 -6.944 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.922 1.874 -6.649 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.746 1.040 -8.180 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.744 -0.395 -7.494 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.970 0.706 -6.150 1.00 0.00 H new ATOM 680 N ARG A 46 -9.473 0.930 -7.711 1.00 0.00 N ATOM 681 CA ARG A 46 -8.114 1.240 -8.139 1.00 0.00 C ATOM 682 C ARG A 46 -7.217 1.708 -7.016 1.00 0.00 C ATOM 683 O ARG A 46 -7.653 2.327 -6.044 1.00 0.00 O ATOM 684 CB ARG A 46 -8.133 2.303 -9.233 1.00 0.00 C ATOM 685 CG ARG A 46 -8.753 1.837 -10.531 1.00 0.00 C ATOM 686 CD ARG A 46 -7.928 0.734 -11.167 1.00 0.00 C ATOM 687 NE ARG A 46 -8.476 0.308 -12.449 1.00 0.00 N ATOM 688 CZ ARG A 46 -7.923 -0.623 -13.223 1.00 0.00 C ATOM 689 NH1 ARG A 46 -6.809 -1.237 -12.841 1.00 0.00 N ATOM 690 NH2 ARG A 46 -8.490 -0.929 -14.380 1.00 0.00 N ATOM 0 H ARG A 46 -10.191 1.349 -8.302 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.700 0.304 -8.515 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.682 3.172 -8.871 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.111 2.629 -9.427 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.765 1.477 -10.345 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.835 2.677 -11.220 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.905 1.083 -11.309 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.883 -0.120 -10.491 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.336 0.751 -12.773 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.373 -0.996 -11.951 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.389 -1.950 -13.438 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.343 -0.453 -14.672 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.073 -1.641 -14.980 1.00 0.00 H new ATOM 704 N PHE A 47 -5.961 1.343 -7.154 1.00 0.00 N ATOM 705 CA PHE A 47 -4.964 1.628 -6.159 1.00 0.00 C ATOM 706 C PHE A 47 -3.591 1.579 -6.796 1.00 0.00 C ATOM 707 O PHE A 47 -3.375 0.854 -7.773 1.00 0.00 O ATOM 708 CB PHE A 47 -5.068 0.615 -5.018 1.00 0.00 C ATOM 709 CG PHE A 47 -4.706 -0.800 -5.379 1.00 0.00 C ATOM 710 CD1 PHE A 47 -3.378 -1.190 -5.507 1.00 0.00 C ATOM 711 CD2 PHE A 47 -5.700 -1.746 -5.566 1.00 0.00 C ATOM 712 CE1 PHE A 47 -3.055 -2.498 -5.810 1.00 0.00 C ATOM 713 CE2 PHE A 47 -5.380 -3.055 -5.874 1.00 0.00 C ATOM 714 CZ PHE A 47 -4.057 -3.431 -5.990 1.00 0.00 C ATOM 0 H PHE A 47 -5.606 0.838 -7.966 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.126 2.625 -5.749 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.421 0.942 -4.204 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.089 0.625 -4.637 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.591 -0.463 -5.368 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.736 -1.458 -5.470 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.020 -2.791 -5.906 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.164 -3.783 -6.024 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.805 -4.455 -6.222 1.00 0.00 H new ATOM 724 N ALA A 48 -2.667 2.311 -6.226 1.00 0.00 N ATOM 725 CA ALA A 48 -1.304 2.310 -6.703 1.00 0.00 C ATOM 726 C ALA A 48 -0.467 1.388 -5.849 1.00 0.00 C ATOM 727 O ALA A 48 -0.796 1.134 -4.697 1.00 0.00 O ATOM 728 CB ALA A 48 -0.718 3.711 -6.725 1.00 0.00 C ATOM 0 H ALA A 48 -2.834 2.920 -5.425 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.300 1.946 -7.730 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.308 3.670 -7.089 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.312 4.344 -7.384 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.729 4.126 -5.717 1.00 0.00 H new ATOM 734 N TYR A 49 0.582 0.849 -6.425 1.00 0.00 N ATOM 735 CA TYR A 49 1.420 -0.086 -5.717 1.00 0.00 C ATOM 736 C TYR A 49 2.876 0.334 -5.919 1.00 0.00 C ATOM 737 O TYR A 49 3.248 0.820 -6.991 1.00 0.00 O ATOM 738 CB TYR A 49 1.193 -1.522 -6.242 1.00 0.00 C ATOM 739 CG TYR A 49 2.085 -1.893 -7.392 1.00 0.00 C ATOM 740 CD1 TYR A 49 3.384 -2.298 -7.143 1.00 0.00 C ATOM 741 CD2 TYR A 49 1.641 -1.848 -8.700 1.00 0.00 C ATOM 742 CE1 TYR A 49 4.234 -2.634 -8.167 1.00 0.00 C ATOM 743 CE2 TYR A 49 2.485 -2.186 -9.741 1.00 0.00 C ATOM 744 CZ TYR A 49 3.785 -2.576 -9.470 1.00 0.00 C ATOM 745 OH TYR A 49 4.631 -2.906 -10.504 1.00 0.00 O ATOM 0 H TYR A 49 0.874 1.043 -7.383 1.00 0.00 H new ATOM 0 HA TYR A 49 1.173 -0.080 -4.655 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.354 -2.227 -5.427 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.153 -1.626 -6.552 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.736 -2.351 -6.123 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.626 -1.546 -8.911 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.247 -2.942 -7.954 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.132 -2.146 -10.761 1.00 0.00 H new ATOM 0 HH TYR A 49 4.157 -2.813 -11.357 1.00 0.00 H new ATOM 755 N VAL A 50 3.706 0.075 -4.933 1.00 0.00 N ATOM 756 CA VAL A 50 5.126 0.334 -5.052 1.00 0.00 C ATOM 757 C VAL A 50 5.894 -0.946 -4.795 1.00 0.00 C ATOM 758 O VAL A 50 5.684 -1.608 -3.778 1.00 0.00 O ATOM 759 CB VAL A 50 5.600 1.402 -4.049 1.00 0.00 C ATOM 760 CG1 VAL A 50 7.070 1.727 -4.263 1.00 0.00 C ATOM 761 CG2 VAL A 50 4.751 2.653 -4.159 1.00 0.00 C ATOM 0 H VAL A 50 3.421 -0.317 -4.035 1.00 0.00 H new ATOM 0 HA VAL A 50 5.311 0.703 -6.061 1.00 0.00 H new ATOM 0 HB VAL A 50 5.485 1.000 -3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.384 2.484 -3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.666 0.825 -4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.215 2.106 -5.275 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.102 3.395 -3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.829 3.058 -5.168 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.711 2.407 -3.946 1.00 0.00 H new ATOM 771 N ASP A 51 6.824 -1.259 -5.678 1.00 0.00 N ATOM 772 CA ASP A 51 7.667 -2.417 -5.482 1.00 0.00 C ATOM 773 C ASP A 51 8.808 -2.075 -4.530 1.00 0.00 C ATOM 774 O ASP A 51 9.379 -0.987 -4.580 1.00 0.00 O ATOM 775 CB ASP A 51 8.167 -2.982 -6.819 1.00 0.00 C ATOM 776 CG ASP A 51 8.978 -2.008 -7.644 1.00 0.00 C ATOM 777 OD1 ASP A 51 10.102 -1.676 -7.245 1.00 0.00 O ATOM 778 OD2 ASP A 51 8.482 -1.563 -8.699 1.00 0.00 O ATOM 0 H ASP A 51 7.012 -0.731 -6.530 1.00 0.00 H new ATOM 0 HA ASP A 51 7.076 -3.209 -5.022 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.774 -3.866 -6.622 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.308 -3.309 -7.405 1.00 0.00 H new ATOM 783 N ILE A 52 8.993 -2.939 -3.546 1.00 0.00 N ATOM 784 CA ILE A 52 9.903 -2.677 -2.433 1.00 0.00 C ATOM 785 C ILE A 52 10.546 -3.953 -1.920 1.00 0.00 C ATOM 786 O ILE A 52 11.740 -3.962 -1.643 1.00 0.00 O ATOM 787 CB ILE A 52 9.229 -1.898 -1.282 1.00 0.00 C ATOM 788 CG1 ILE A 52 7.736 -2.186 -1.224 1.00 0.00 C ATOM 789 CG2 ILE A 52 9.490 -0.413 -1.409 1.00 0.00 C ATOM 790 CD1 ILE A 52 7.389 -3.572 -0.759 1.00 0.00 C ATOM 0 H ILE A 52 8.520 -3.841 -3.492 1.00 0.00 H new ATOM 0 HA ILE A 52 10.691 -2.038 -2.832 1.00 0.00 H new ATOM 0 HB ILE A 52 9.670 -2.239 -0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.265 -1.464 -0.558 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.310 -2.031 -2.215 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.005 0.113 -0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.564 -0.228 -1.375 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.090 -0.053 -2.357 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.306 -3.691 -0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.828 -4.304 -1.437 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.782 -3.728 0.246 1.00 0.00 H new ATOM 802 N LEU A 53 9.847 -5.082 -2.058 1.00 0.00 N ATOM 803 CA LEU A 53 10.519 -6.367 -1.887 1.00 0.00 C ATOM 804 C LEU A 53 11.540 -6.529 -3.014 1.00 0.00 C ATOM 805 O LEU A 53 12.409 -7.398 -2.973 1.00 0.00 O ATOM 806 CB LEU A 53 9.565 -7.579 -1.883 1.00 0.00 C ATOM 807 CG LEU A 53 8.527 -7.665 -0.752 1.00 0.00 C ATOM 808 CD1 LEU A 53 9.117 -7.204 0.566 1.00 0.00 C ATOM 809 CD2 LEU A 53 7.258 -6.906 -1.084 1.00 0.00 C ATOM 0 H LEU A 53 8.853 -5.133 -2.279 1.00 0.00 H new ATOM 0 HA LEU A 53 10.993 -6.354 -0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.029 -7.588 -2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.172 -8.484 -1.851 1.00 0.00 H new ATOM 0 HG LEU A 53 8.250 -8.714 -0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.361 -7.275 1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.967 -7.835 0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.448 -6.169 0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.554 -6.995 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.495 -5.855 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.811 -7.322 -1.987 1.00 0.00 H new ATOM 821 N GLN A 54 11.400 -5.680 -4.032 1.00 0.00 N ATOM 822 CA GLN A 54 12.271 -5.705 -5.193 1.00 0.00 C ATOM 823 C GLN A 54 13.407 -4.677 -5.048 1.00 0.00 C ATOM 824 O GLN A 54 14.569 -5.020 -5.247 1.00 0.00 O ATOM 825 CB GLN A 54 11.424 -5.475 -6.464 1.00 0.00 C ATOM 826 CG GLN A 54 12.199 -5.537 -7.782 1.00 0.00 C ATOM 827 CD GLN A 54 12.922 -4.246 -8.147 1.00 0.00 C ATOM 828 OE1 GLN A 54 13.736 -4.224 -9.065 1.00 0.00 O ATOM 829 NE2 GLN A 54 12.571 -3.152 -7.494 1.00 0.00 N ATOM 0 H GLN A 54 10.679 -4.959 -4.069 1.00 0.00 H new ATOM 0 HA GLN A 54 12.751 -6.680 -5.276 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.630 -6.221 -6.492 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.943 -4.500 -6.389 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.929 -6.344 -7.723 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.507 -5.791 -8.585 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.891 -3.207 -6.736 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.980 -2.253 -7.748 1.00 0.00 H new ATOM 838 N ASN A 55 13.088 -3.444 -4.635 1.00 0.00 N ATOM 839 CA ASN A 55 14.133 -2.436 -4.397 1.00 0.00 C ATOM 840 C ASN A 55 14.832 -2.693 -3.075 1.00 0.00 C ATOM 841 O ASN A 55 14.195 -2.686 -2.031 1.00 0.00 O ATOM 842 CB ASN A 55 13.563 -1.012 -4.390 1.00 0.00 C ATOM 843 CG ASN A 55 13.025 -0.576 -5.736 1.00 0.00 C ATOM 844 OD1 ASN A 55 13.743 -0.574 -6.734 1.00 0.00 O ATOM 845 ND2 ASN A 55 11.765 -0.188 -5.771 1.00 0.00 N ATOM 0 H ASN A 55 12.136 -3.123 -4.461 1.00 0.00 H new ATOM 0 HA ASN A 55 14.846 -2.521 -5.217 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.765 -0.951 -3.650 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.342 -0.318 -4.076 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.353 0.129 -6.649 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.202 -0.205 -4.920 1.00 0.00 H new ATOM 852 N PRO A 56 16.154 -2.897 -3.096 1.00 0.00 N ATOM 853 CA PRO A 56 16.940 -3.143 -1.889 1.00 0.00 C ATOM 854 C PRO A 56 17.001 -1.930 -0.960 1.00 0.00 C ATOM 855 O PRO A 56 16.949 -2.067 0.262 1.00 0.00 O ATOM 856 CB PRO A 56 18.339 -3.489 -2.420 1.00 0.00 C ATOM 857 CG PRO A 56 18.145 -3.769 -3.871 1.00 0.00 C ATOM 858 CD PRO A 56 17.000 -2.899 -4.290 1.00 0.00 C ATOM 0 HA PRO A 56 16.497 -3.933 -1.283 1.00 0.00 H new ATOM 0 HB2 PRO A 56 19.034 -2.663 -2.267 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.754 -4.355 -1.903 1.00 0.00 H new ATOM 0 HG2 PRO A 56 19.045 -3.537 -4.440 1.00 0.00 H new ATOM 0 HG3 PRO A 56 17.922 -4.822 -4.042 1.00 0.00 H new ATOM 0 HD2 PRO A 56 17.329 -1.895 -4.556 1.00 0.00 H new ATOM 0 HD3 PRO A 56 16.478 -3.304 -5.157 1.00 0.00 H new ATOM 866 N ASP A 57 17.212 -0.756 -1.542 1.00 0.00 N ATOM 867 CA ASP A 57 17.399 0.468 -0.761 1.00 0.00 C ATOM 868 C ASP A 57 16.100 0.915 -0.098 1.00 0.00 C ATOM 869 O ASP A 57 16.061 1.176 1.106 1.00 0.00 O ATOM 870 CB ASP A 57 17.944 1.595 -1.647 1.00 0.00 C ATOM 871 CG ASP A 57 19.314 1.288 -2.219 1.00 0.00 C ATOM 872 OD1 ASP A 57 19.445 0.304 -2.981 1.00 0.00 O ATOM 873 OD2 ASP A 57 20.269 2.025 -1.906 1.00 0.00 O ATOM 0 H ASP A 57 17.259 -0.622 -2.552 1.00 0.00 H new ATOM 0 HA ASP A 57 18.122 0.246 0.023 1.00 0.00 H new ATOM 0 HB2 ASP A 57 17.247 1.776 -2.465 1.00 0.00 H new ATOM 0 HB3 ASP A 57 17.997 2.515 -1.064 1.00 0.00 H new ATOM 878 N ILE A 58 15.041 1.008 -0.893 1.00 0.00 N ATOM 879 CA ILE A 58 13.732 1.434 -0.400 1.00 0.00 C ATOM 880 C ILE A 58 13.202 0.430 0.624 1.00 0.00 C ATOM 881 O ILE A 58 12.562 0.801 1.607 1.00 0.00 O ATOM 882 CB ILE A 58 12.723 1.592 -1.555 1.00 0.00 C ATOM 883 CG1 ILE A 58 13.321 2.456 -2.669 1.00 0.00 C ATOM 884 CG2 ILE A 58 11.445 2.237 -1.041 1.00 0.00 C ATOM 885 CD1 ILE A 58 12.397 2.659 -3.849 1.00 0.00 C ATOM 0 H ILE A 58 15.062 0.793 -1.890 1.00 0.00 H new ATOM 0 HA ILE A 58 13.854 2.406 0.079 1.00 0.00 H new ATOM 0 HB ILE A 58 12.495 0.604 -1.956 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.588 3.429 -2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 58 14.244 1.994 -3.018 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.737 2.346 -1.862 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.007 1.609 -0.265 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.674 3.219 -0.627 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.891 3.281 -4.595 1.00 0.00 H new ATOM 0 HD12 ILE A 58 12.150 1.692 -4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.483 3.150 -3.515 1.00 0.00 H new ATOM 897 N ARG A 59 13.533 -0.838 0.392 1.00 0.00 N ATOM 898 CA ARG A 59 13.174 -1.946 1.278 1.00 0.00 C ATOM 899 C ARG A 59 13.555 -1.669 2.733 1.00 0.00 C ATOM 900 O ARG A 59 12.957 -2.233 3.644 1.00 0.00 O ATOM 901 CB ARG A 59 13.887 -3.219 0.809 1.00 0.00 C ATOM 902 CG ARG A 59 13.643 -4.445 1.671 1.00 0.00 C ATOM 903 CD ARG A 59 14.542 -5.596 1.240 1.00 0.00 C ATOM 904 NE ARG A 59 14.413 -6.772 2.105 1.00 0.00 N ATOM 905 CZ ARG A 59 13.344 -7.569 2.154 1.00 0.00 C ATOM 906 NH1 ARG A 59 12.365 -7.427 1.270 1.00 0.00 N ATOM 907 NH2 ARG A 59 13.280 -8.536 3.062 1.00 0.00 N ATOM 0 H ARG A 59 14.065 -1.130 -0.427 1.00 0.00 H new ATOM 0 HA ARG A 59 12.092 -2.067 1.233 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.570 -3.441 -0.210 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.959 -3.025 0.774 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.831 -4.203 2.717 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.598 -4.746 1.596 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.299 -5.876 0.215 1.00 0.00 H new ATOM 0 HD3 ARG A 59 15.579 -5.261 1.242 1.00 0.00 H new ATOM 0 HE ARG A 59 15.199 -6.998 2.715 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.428 -6.707 0.550 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.549 -8.038 1.310 1.00 0.00 H new ATOM 0 HH21 ARG A 59 14.047 -8.669 3.721 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.463 -9.146 3.101 1.00 0.00 H new ATOM 921 N ALA A 60 14.671 -0.984 2.936 1.00 0.00 N ATOM 922 CA ALA A 60 15.235 -0.856 4.272 1.00 0.00 C ATOM 923 C ALA A 60 14.745 0.371 5.045 1.00 0.00 C ATOM 924 O ALA A 60 14.494 0.271 6.238 1.00 0.00 O ATOM 925 CB ALA A 60 16.753 -0.858 4.196 1.00 0.00 C ATOM 0 H ALA A 60 15.199 -0.513 2.202 1.00 0.00 H new ATOM 0 HA ALA A 60 14.881 -1.721 4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 60 17.168 -0.762 5.199 1.00 0.00 H new ATOM 0 HB2 ALA A 60 17.094 -1.793 3.751 1.00 0.00 H new ATOM 0 HB3 ALA A 60 17.088 -0.021 3.583 1.00 0.00 H new ATOM 931 N GLU A 61 14.839 1.552 4.440 1.00 0.00 N ATOM 932 CA GLU A 61 14.658 2.805 5.195 1.00 0.00 C ATOM 933 C GLU A 61 13.199 3.110 5.494 1.00 0.00 C ATOM 934 O GLU A 61 12.827 3.432 6.622 1.00 0.00 O ATOM 935 CB GLU A 61 15.214 3.979 4.389 1.00 0.00 C ATOM 936 CG GLU A 61 16.675 3.827 4.001 1.00 0.00 C ATOM 937 CD GLU A 61 17.587 3.735 5.206 1.00 0.00 C ATOM 938 OE1 GLU A 61 17.617 4.691 6.011 1.00 0.00 O ATOM 939 OE2 GLU A 61 18.277 2.710 5.355 1.00 0.00 O ATOM 0 H GLU A 61 15.036 1.676 3.447 1.00 0.00 H new ATOM 0 HA GLU A 61 15.188 2.672 6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.619 4.099 3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 61 15.097 4.893 4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 61 16.794 2.933 3.390 1.00 0.00 H new ATOM 0 HG3 GLU A 61 16.975 4.676 3.386 1.00 0.00 H new ATOM 946 N LEU A 62 12.428 3.150 4.436 1.00 0.00 N ATOM 947 CA LEU A 62 11.042 3.581 4.476 1.00 0.00 C ATOM 948 C LEU A 62 10.130 2.723 5.360 1.00 0.00 C ATOM 949 O LEU A 62 9.324 3.274 6.111 1.00 0.00 O ATOM 950 CB LEU A 62 10.561 3.674 3.040 1.00 0.00 C ATOM 951 CG LEU A 62 9.193 3.084 2.692 1.00 0.00 C ATOM 952 CD1 LEU A 62 8.034 3.782 3.380 1.00 0.00 C ATOM 953 CD2 LEU A 62 9.032 3.173 1.211 1.00 0.00 C ATOM 0 H LEU A 62 12.746 2.881 3.505 1.00 0.00 H new ATOM 0 HA LEU A 62 10.990 4.555 4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.549 4.728 2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.304 3.186 2.409 1.00 0.00 H new ATOM 0 HG LEU A 62 9.167 2.054 3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.097 3.309 3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.154 3.707 4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.017 4.832 3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.065 2.760 0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.087 4.217 0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.826 2.607 0.724 1.00 0.00 H new ATOM 965 N PRO A 63 10.218 1.392 5.320 1.00 0.00 N ATOM 966 CA PRO A 63 9.360 0.549 6.148 1.00 0.00 C ATOM 967 C PRO A 63 9.526 0.874 7.617 1.00 0.00 C ATOM 968 O PRO A 63 8.546 0.938 8.369 1.00 0.00 O ATOM 969 CB PRO A 63 9.856 -0.863 5.859 1.00 0.00 C ATOM 970 CG PRO A 63 11.213 -0.678 5.292 1.00 0.00 C ATOM 971 CD PRO A 63 11.136 0.589 4.505 1.00 0.00 C ATOM 0 HA PRO A 63 8.302 0.688 5.927 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.885 -1.466 6.767 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.200 -1.377 5.156 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.963 -0.608 6.080 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.494 -1.519 4.658 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.111 1.064 4.399 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.751 0.423 3.499 1.00 0.00 H new ATOM 979 N LYS A 64 10.779 1.086 8.006 1.00 0.00 N ATOM 980 CA LYS A 64 11.122 1.405 9.381 1.00 0.00 C ATOM 981 C LYS A 64 10.382 2.643 9.846 1.00 0.00 C ATOM 982 O LYS A 64 9.985 2.739 11.009 1.00 0.00 O ATOM 983 CB LYS A 64 12.630 1.594 9.534 1.00 0.00 C ATOM 984 CG LYS A 64 13.424 0.338 9.208 1.00 0.00 C ATOM 985 CD LYS A 64 14.915 0.534 9.436 1.00 0.00 C ATOM 986 CE LYS A 64 15.477 1.675 8.598 1.00 0.00 C ATOM 987 NZ LYS A 64 16.947 1.830 8.768 1.00 0.00 N ATOM 0 H LYS A 64 11.581 1.041 7.377 1.00 0.00 H new ATOM 0 HA LYS A 64 10.817 0.567 10.008 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.957 2.403 8.881 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.850 1.901 10.557 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.068 -0.487 9.825 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.249 0.058 8.169 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.096 0.736 10.492 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.443 -0.388 9.193 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.252 1.496 7.547 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.981 2.605 8.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 17.283 2.618 8.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 17.162 2.028 9.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.424 0.953 8.478 1.00 0.00 H new ATOM 1001 N TYR A 65 10.189 3.589 8.933 1.00 0.00 N ATOM 1002 CA TYR A 65 9.487 4.809 9.267 1.00 0.00 C ATOM 1003 C TYR A 65 8.023 4.501 9.570 1.00 0.00 C ATOM 1004 O TYR A 65 7.452 5.091 10.488 1.00 0.00 O ATOM 1005 CB TYR A 65 9.669 5.891 8.162 1.00 0.00 C ATOM 1006 CG TYR A 65 8.477 6.219 7.253 1.00 0.00 C ATOM 1007 CD1 TYR A 65 7.250 6.631 7.774 1.00 0.00 C ATOM 1008 CD2 TYR A 65 8.603 6.177 5.863 1.00 0.00 C ATOM 1009 CE1 TYR A 65 6.194 6.966 6.952 1.00 0.00 C ATOM 1010 CE2 TYR A 65 7.547 6.527 5.039 1.00 0.00 C ATOM 1011 CZ TYR A 65 6.346 6.916 5.591 1.00 0.00 C ATOM 1012 OH TYR A 65 5.302 7.280 4.773 1.00 0.00 O ATOM 0 H TYR A 65 10.508 3.530 7.966 1.00 0.00 H new ATOM 0 HA TYR A 65 9.922 5.236 10.171 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.977 6.815 8.651 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.495 5.577 7.524 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.124 6.689 8.845 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.539 5.866 5.424 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.249 7.267 7.380 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.664 6.495 3.966 1.00 0.00 H new ATOM 0 HH TYR A 65 4.544 6.676 4.921 1.00 0.00 H new ATOM 1022 N ALA A 66 7.381 3.645 8.763 1.00 0.00 N ATOM 1023 CA ALA A 66 5.960 3.405 8.968 1.00 0.00 C ATOM 1024 C ALA A 66 5.678 2.517 10.180 1.00 0.00 C ATOM 1025 O ALA A 66 5.065 2.971 11.146 1.00 0.00 O ATOM 1026 CB ALA A 66 5.392 2.743 7.733 1.00 0.00 C ATOM 0 H ALA A 66 7.808 3.129 7.994 1.00 0.00 H new ATOM 0 HA ALA A 66 5.490 4.370 9.154 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.327 2.559 7.876 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.535 3.396 6.872 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.904 1.797 7.559 1.00 0.00 H new ATOM 1032 N ASN A 67 6.256 1.316 10.198 1.00 0.00 N ATOM 1033 CA ASN A 67 6.198 0.450 11.380 1.00 0.00 C ATOM 1034 C ASN A 67 7.052 -0.792 11.144 1.00 0.00 C ATOM 1035 O ASN A 67 7.929 -1.148 11.932 1.00 0.00 O ATOM 1036 CB ASN A 67 4.743 0.051 11.678 1.00 0.00 C ATOM 1037 CG ASN A 67 4.571 -0.670 13.002 1.00 0.00 C ATOM 1038 OD1 ASN A 67 5.144 -1.732 13.234 1.00 0.00 O ATOM 1039 ND2 ASN A 67 3.761 -0.093 13.875 1.00 0.00 N ATOM 0 H ASN A 67 6.769 0.920 9.411 1.00 0.00 H new ATOM 0 HA ASN A 67 6.588 0.992 12.241 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.122 0.947 11.678 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.379 -0.589 10.875 1.00 0.00 H new ATOM 0 HD21 ASN A 67 3.593 -0.530 14.781 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.305 0.789 13.642 1.00 0.00 H new ATOM 1046 N TRP A 68 6.713 -1.462 10.043 1.00 0.00 N ATOM 1047 CA TRP A 68 7.328 -2.716 9.613 1.00 0.00 C ATOM 1048 C TRP A 68 8.832 -2.606 9.391 1.00 0.00 C ATOM 1049 O TRP A 68 9.309 -1.620 8.863 1.00 0.00 O ATOM 1050 CB TRP A 68 6.694 -3.187 8.296 1.00 0.00 C ATOM 1051 CG TRP A 68 5.384 -3.911 8.424 1.00 0.00 C ATOM 1052 CD1 TRP A 68 5.139 -5.178 7.987 1.00 0.00 C ATOM 1053 CD2 TRP A 68 4.145 -3.433 8.975 1.00 0.00 C ATOM 1054 NE1 TRP A 68 3.840 -5.530 8.247 1.00 0.00 N ATOM 1055 CE2 TRP A 68 3.207 -4.480 8.852 1.00 0.00 C ATOM 1056 CE3 TRP A 68 3.733 -2.237 9.563 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 1.895 -4.364 9.300 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 2.429 -2.124 10.006 1.00 0.00 C ATOM 1059 CH2 TRP A 68 1.523 -3.181 9.871 1.00 0.00 C ATOM 0 H TRP A 68 5.983 -1.138 9.409 1.00 0.00 H new ATOM 0 HA TRP A 68 7.154 -3.427 10.421 1.00 0.00 H new ATOM 0 HB2 TRP A 68 6.546 -2.318 7.654 1.00 0.00 H new ATOM 0 HB3 TRP A 68 7.402 -3.842 7.788 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.865 -5.815 7.504 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.414 -6.430 8.025 1.00 0.00 H new ATOM 0 HE3 TRP A 68 4.422 -1.412 9.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 1.196 -5.181 9.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 2.103 -1.202 10.465 1.00 0.00 H new ATOM 0 HH2 TRP A 68 0.510 -3.059 10.225 1.00 0.00 H new ATOM 1070 N PRO A 69 9.574 -3.692 9.659 1.00 0.00 N ATOM 1071 CA PRO A 69 11.000 -3.770 9.325 1.00 0.00 C ATOM 1072 C PRO A 69 11.200 -3.624 7.819 1.00 0.00 C ATOM 1073 O PRO A 69 12.105 -2.926 7.359 1.00 0.00 O ATOM 1074 CB PRO A 69 11.418 -5.173 9.792 1.00 0.00 C ATOM 1075 CG PRO A 69 10.306 -5.647 10.669 1.00 0.00 C ATOM 1076 CD PRO A 69 9.064 -4.975 10.161 1.00 0.00 C ATOM 0 HA PRO A 69 11.588 -2.981 9.795 1.00 0.00 H new ATOM 0 HB2 PRO A 69 11.562 -5.843 8.944 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.362 -5.141 10.337 1.00 0.00 H new ATOM 0 HG2 PRO A 69 10.209 -6.732 10.624 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.492 -5.386 11.711 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.583 -5.555 9.374 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.326 -4.836 10.951 1.00 0.00 H new ATOM 1084 N THR A 70 10.278 -4.224 7.072 1.00 0.00 N ATOM 1085 CA THR A 70 10.232 -4.123 5.622 1.00 0.00 C ATOM 1086 C THR A 70 8.772 -4.054 5.161 1.00 0.00 C ATOM 1087 O THR A 70 8.035 -3.155 5.563 1.00 0.00 O ATOM 1088 CB THR A 70 10.971 -5.294 4.938 1.00 0.00 C ATOM 1089 OG1 THR A 70 10.439 -6.548 5.381 1.00 0.00 O ATOM 1090 CG2 THR A 70 12.464 -5.235 5.232 1.00 0.00 C ATOM 0 H THR A 70 9.534 -4.801 7.464 1.00 0.00 H new ATOM 0 HA THR A 70 10.748 -3.210 5.326 1.00 0.00 H new ATOM 0 HB THR A 70 10.822 -5.205 3.862 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.916 -7.281 4.938 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.965 -6.069 4.741 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.872 -4.296 4.858 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.626 -5.298 6.308 1.00 0.00 H new ATOM 1098 N PHE A 71 8.364 -4.947 4.276 1.00 0.00 N ATOM 1099 CA PHE A 71 7.017 -4.896 3.728 1.00 0.00 C ATOM 1100 C PHE A 71 6.455 -6.315 3.619 1.00 0.00 C ATOM 1101 O PHE A 71 7.101 -7.252 4.085 1.00 0.00 O ATOM 1102 CB PHE A 71 7.062 -4.211 2.358 1.00 0.00 C ATOM 1103 CG PHE A 71 7.701 -2.851 2.368 1.00 0.00 C ATOM 1104 CD1 PHE A 71 9.080 -2.714 2.307 1.00 0.00 C ATOM 1105 CD2 PHE A 71 6.924 -1.709 2.449 1.00 0.00 C ATOM 1106 CE1 PHE A 71 9.663 -1.469 2.313 1.00 0.00 C ATOM 1107 CE2 PHE A 71 7.507 -0.458 2.462 1.00 0.00 C ATOM 1108 CZ PHE A 71 8.874 -0.339 2.390 1.00 0.00 C ATOM 0 H PHE A 71 8.940 -5.711 3.923 1.00 0.00 H new ATOM 0 HA PHE A 71 6.362 -4.322 4.384 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.606 -4.850 1.663 1.00 0.00 H new ATOM 0 HB3 PHE A 71 6.045 -4.119 1.977 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.702 -3.595 2.254 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.849 -1.798 2.503 1.00 0.00 H new ATOM 0 HE1 PHE A 71 10.737 -1.375 2.258 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.890 0.426 2.529 1.00 0.00 H new ATOM 0 HZ PHE A 71 9.331 0.639 2.394 1.00 0.00 H new ATOM 1118 N PRO A 72 5.274 -6.548 2.992 1.00 0.00 N ATOM 1119 CA PRO A 72 4.393 -5.525 2.378 1.00 0.00 C ATOM 1120 C PRO A 72 3.666 -4.629 3.378 1.00 0.00 C ATOM 1121 O PRO A 72 3.527 -4.968 4.555 1.00 0.00 O ATOM 1122 CB PRO A 72 3.376 -6.358 1.607 1.00 0.00 C ATOM 1123 CG PRO A 72 3.308 -7.644 2.346 1.00 0.00 C ATOM 1124 CD PRO A 72 4.692 -7.896 2.869 1.00 0.00 C ATOM 0 HA PRO A 72 4.980 -4.831 1.776 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.403 -5.867 1.576 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.690 -6.510 0.574 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.587 -7.587 3.162 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.985 -8.453 1.691 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.669 -8.411 3.830 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.270 -8.520 2.187 1.00 0.00 H new ATOM 1132 N GLN A 73 3.124 -3.523 2.870 1.00 0.00 N ATOM 1133 CA GLN A 73 2.325 -2.622 3.681 1.00 0.00 C ATOM 1134 C GLN A 73 1.381 -1.797 2.814 1.00 0.00 C ATOM 1135 O GLN A 73 1.777 -1.229 1.796 1.00 0.00 O ATOM 1136 CB GLN A 73 3.219 -1.697 4.495 1.00 0.00 C ATOM 1137 CG GLN A 73 4.066 -0.751 3.682 1.00 0.00 C ATOM 1138 CD GLN A 73 4.976 0.098 4.561 1.00 0.00 C ATOM 1139 OE1 GLN A 73 5.626 1.021 4.087 1.00 0.00 O ATOM 1140 NE2 GLN A 73 5.040 -0.219 5.845 1.00 0.00 N ATOM 0 H GLN A 73 3.227 -3.234 1.897 1.00 0.00 H new ATOM 0 HA GLN A 73 1.729 -3.229 4.362 1.00 0.00 H new ATOM 0 HB2 GLN A 73 2.593 -1.112 5.169 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.876 -2.306 5.117 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.671 -1.321 2.977 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.420 -0.100 3.094 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.485 -0.994 6.207 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.644 0.312 6.472 1.00 0.00 H new ATOM 1149 N LEU A 74 0.137 -1.728 3.251 1.00 0.00 N ATOM 1150 CA LEU A 74 -0.892 -0.954 2.571 1.00 0.00 C ATOM 1151 C LEU A 74 -0.946 0.462 3.114 1.00 0.00 C ATOM 1152 O LEU A 74 -0.861 0.668 4.328 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.250 -1.599 2.745 1.00 0.00 C ATOM 1154 CG LEU A 74 -3.379 -0.866 2.032 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -3.149 -0.866 0.536 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -4.707 -1.484 2.378 1.00 0.00 C ATOM 0 H LEU A 74 -0.192 -2.207 4.089 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.637 -0.926 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.205 -2.623 2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.481 -1.654 3.809 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.392 0.170 2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.965 -0.338 0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.206 -0.367 0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.110 -1.893 0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.503 -0.949 1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.713 -2.530 2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.868 -1.422 3.454 1.00 0.00 H new ATOM 1168 N TRP A 75 -1.170 1.418 2.228 1.00 0.00 N ATOM 1169 CA TRP A 75 -1.334 2.802 2.617 1.00 0.00 C ATOM 1170 C TRP A 75 -2.602 3.379 1.999 1.00 0.00 C ATOM 1171 O TRP A 75 -2.768 3.406 0.782 1.00 0.00 O ATOM 1172 CB TRP A 75 -0.135 3.625 2.176 1.00 0.00 C ATOM 1173 CG TRP A 75 1.148 3.207 2.820 1.00 0.00 C ATOM 1174 CD1 TRP A 75 1.881 2.074 2.593 1.00 0.00 C ATOM 1175 CD2 TRP A 75 1.813 3.915 3.853 1.00 0.00 C ATOM 1176 NE1 TRP A 75 2.989 2.066 3.409 1.00 0.00 N ATOM 1177 CE2 TRP A 75 2.965 3.195 4.191 1.00 0.00 C ATOM 1178 CE3 TRP A 75 1.542 5.109 4.510 1.00 0.00 C ATOM 1179 CZ2 TRP A 75 3.850 3.643 5.168 1.00 0.00 C ATOM 1180 CZ3 TRP A 75 2.414 5.551 5.480 1.00 0.00 C ATOM 1181 CH2 TRP A 75 3.558 4.822 5.798 1.00 0.00 C ATOM 0 H TRP A 75 -1.242 1.254 1.224 1.00 0.00 H new ATOM 0 HA TRP A 75 -1.413 2.843 3.703 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -0.030 3.548 1.094 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.321 4.674 2.404 1.00 0.00 H new ATOM 0 HD1 TRP A 75 1.628 1.302 1.881 1.00 0.00 H new ATOM 0 HE1 TRP A 75 3.708 1.343 3.430 1.00 0.00 H new ATOM 0 HE3 TRP A 75 0.660 5.682 4.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 4.736 3.079 5.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 2.208 6.475 6.001 1.00 0.00 H new ATOM 0 HH2 TRP A 75 4.228 5.195 6.558 1.00 0.00 H new ATOM 1192 N VAL A 76 -3.450 3.914 2.847 1.00 0.00 N ATOM 1193 CA VAL A 76 -4.662 4.580 2.409 1.00 0.00 C ATOM 1194 C VAL A 76 -4.478 6.081 2.569 1.00 0.00 C ATOM 1195 O VAL A 76 -4.268 6.547 3.687 1.00 0.00 O ATOM 1196 CB VAL A 76 -5.870 4.114 3.257 1.00 0.00 C ATOM 1197 CG1 VAL A 76 -7.156 4.775 2.799 1.00 0.00 C ATOM 1198 CG2 VAL A 76 -6.001 2.600 3.223 1.00 0.00 C ATOM 0 H VAL A 76 -3.322 3.902 3.859 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.854 4.332 1.365 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.689 4.420 4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.984 4.426 3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.063 5.857 2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.346 4.518 1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.857 2.295 3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.146 2.270 2.194 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.094 2.147 3.625 1.00 0.00 H new ATOM 1208 N ASP A 77 -4.522 6.827 1.460 1.00 0.00 N ATOM 1209 CA ASP A 77 -4.321 8.283 1.497 1.00 0.00 C ATOM 1210 C ASP A 77 -2.966 8.594 2.131 1.00 0.00 C ATOM 1211 O ASP A 77 -2.768 9.576 2.849 1.00 0.00 O ATOM 1212 CB ASP A 77 -5.445 8.905 2.300 1.00 0.00 C ATOM 1213 CG ASP A 77 -5.451 10.421 2.336 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -4.635 11.061 1.643 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -6.312 10.987 3.042 1.00 0.00 O ATOM 0 H ASP A 77 -4.694 6.450 0.528 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.330 8.696 0.488 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.395 8.564 1.890 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.388 8.533 3.323 1.00 0.00 H new ATOM 1220 N GLY A 78 -2.046 7.707 1.865 1.00 0.00 N ATOM 1221 CA GLY A 78 -0.703 7.819 2.391 1.00 0.00 C ATOM 1222 C GLY A 78 -0.624 7.549 3.880 1.00 0.00 C ATOM 1223 O GLY A 78 0.252 8.078 4.565 1.00 0.00 O ATOM 0 H GLY A 78 -2.201 6.886 1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.054 7.119 1.866 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.322 8.820 2.188 1.00 0.00 H new ATOM 1227 N GLU A 79 -1.526 6.715 4.380 1.00 0.00 N ATOM 1228 CA GLU A 79 -1.535 6.365 5.793 1.00 0.00 C ATOM 1229 C GLU A 79 -1.533 4.848 5.968 1.00 0.00 C ATOM 1230 O GLU A 79 -2.230 4.131 5.251 1.00 0.00 O ATOM 1231 CB GLU A 79 -2.735 7.009 6.495 1.00 0.00 C ATOM 1232 CG GLU A 79 -2.720 8.530 6.403 1.00 0.00 C ATOM 1233 CD GLU A 79 -3.874 9.201 7.122 1.00 0.00 C ATOM 1234 OE1 GLU A 79 -5.046 8.932 6.776 1.00 0.00 O ATOM 1235 OE2 GLU A 79 -3.612 10.031 8.020 1.00 0.00 O ATOM 0 H GLU A 79 -2.259 6.269 3.829 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.629 6.754 6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.656 6.631 6.052 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.740 6.712 7.544 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.782 8.900 6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.741 8.821 5.353 1.00 0.00 H new ATOM 1242 N LEU A 80 -0.606 4.373 6.790 1.00 0.00 N ATOM 1243 CA LEU A 80 -0.328 2.952 6.923 1.00 0.00 C ATOM 1244 C LEU A 80 -1.474 2.184 7.570 1.00 0.00 C ATOM 1245 O LEU A 80 -1.984 2.564 8.626 1.00 0.00 O ATOM 1246 CB LEU A 80 0.956 2.740 7.732 1.00 0.00 C ATOM 1247 CG LEU A 80 1.315 1.281 7.985 1.00 0.00 C ATOM 1248 CD1 LEU A 80 1.671 0.576 6.686 1.00 0.00 C ATOM 1249 CD2 LEU A 80 2.446 1.180 8.990 1.00 0.00 C ATOM 0 H LEU A 80 -0.025 4.965 7.384 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.204 2.559 5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.783 3.218 7.207 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.852 3.246 8.692 1.00 0.00 H new ATOM 0 HG LEU A 80 0.442 0.780 8.404 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.923 -0.464 6.894 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.820 0.614 6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.526 1.072 6.225 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.690 0.131 9.159 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.323 1.699 8.604 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.139 1.637 9.931 1.00 0.00 H new ATOM 1261 N VAL A 81 -1.782 1.038 6.981 1.00 0.00 N ATOM 1262 CA VAL A 81 -2.760 0.122 7.540 1.00 0.00 C ATOM 1263 C VAL A 81 -2.092 -1.217 7.893 1.00 0.00 C ATOM 1264 O VAL A 81 -2.212 -1.706 9.013 1.00 0.00 O ATOM 1265 CB VAL A 81 -3.919 -0.123 6.540 1.00 0.00 C ATOM 1266 CG1 VAL A 81 -4.935 -1.108 7.096 1.00 0.00 C ATOM 1267 CG2 VAL A 81 -4.605 1.185 6.174 1.00 0.00 C ATOM 0 H VAL A 81 -1.363 0.720 6.107 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.168 0.572 8.445 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.484 -0.556 5.639 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.734 -1.256 6.369 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.446 -2.061 7.297 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.355 -0.714 8.021 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.414 0.987 5.471 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.011 1.647 7.074 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.882 1.859 5.714 1.00 0.00 H new ATOM 1277 N GLY A 82 -1.408 -1.806 6.912 1.00 0.00 N ATOM 1278 CA GLY A 82 -0.750 -3.099 7.098 1.00 0.00 C ATOM 1279 C GLY A 82 -0.779 -3.897 5.811 1.00 0.00 C ATOM 1280 O GLY A 82 -1.684 -3.696 5.016 1.00 0.00 O ATOM 0 H GLY A 82 -1.295 -1.408 5.980 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.282 -2.947 7.416 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.248 -3.657 7.891 1.00 0.00 H new ATOM 1284 N GLY A 83 0.303 -4.595 5.477 1.00 0.00 N ATOM 1285 CA GLY A 83 0.389 -5.128 4.122 1.00 0.00 C ATOM 1286 C GLY A 83 -0.288 -6.471 3.882 1.00 0.00 C ATOM 1287 O GLY A 83 -1.213 -6.545 3.096 1.00 0.00 O ATOM 0 H GLY A 83 1.094 -4.797 6.089 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.046 -4.398 3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.442 -5.223 3.858 1.00 0.00 H new ATOM 1291 N CYS A 84 0.213 -7.552 4.468 1.00 0.00 N ATOM 1292 CA CYS A 84 -0.361 -8.875 4.172 1.00 0.00 C ATOM 1293 C CYS A 84 -1.625 -9.172 4.974 1.00 0.00 C ATOM 1294 O CYS A 84 -2.703 -9.366 4.414 1.00 0.00 O ATOM 1295 CB CYS A 84 0.676 -9.989 4.372 1.00 0.00 C ATOM 1296 SG CYS A 84 0.032 -11.664 4.146 1.00 0.00 S ATOM 0 H CYS A 84 0.989 -7.551 5.130 1.00 0.00 H new ATOM 0 HA CYS A 84 -0.652 -8.848 3.122 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.498 -9.832 3.674 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.091 -9.905 5.376 1.00 0.00 H new ATOM 0 HG CYS A 84 0.697 -12.490 4.898 1.00 0.00 H new ATOM 1302 N ASP A 85 -1.440 -9.344 6.276 1.00 0.00 N ATOM 1303 CA ASP A 85 -2.515 -9.790 7.162 1.00 0.00 C ATOM 1304 C ASP A 85 -3.558 -8.708 7.354 1.00 0.00 C ATOM 1305 O ASP A 85 -4.758 -8.977 7.325 1.00 0.00 O ATOM 1306 CB ASP A 85 -1.916 -10.209 8.513 1.00 0.00 C ATOM 1307 CG ASP A 85 -2.943 -10.728 9.508 1.00 0.00 C ATOM 1308 OD1 ASP A 85 -3.821 -9.957 9.934 1.00 0.00 O ATOM 1309 OD2 ASP A 85 -2.862 -11.916 9.882 1.00 0.00 O ATOM 0 H ASP A 85 -0.550 -9.181 6.748 1.00 0.00 H new ATOM 0 HA ASP A 85 -3.014 -10.644 6.704 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.166 -10.982 8.343 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.400 -9.355 8.951 1.00 0.00 H new ATOM 1314 N ILE A 86 -3.089 -7.501 7.629 1.00 0.00 N ATOM 1315 CA ILE A 86 -3.979 -6.392 7.929 1.00 0.00 C ATOM 1316 C ILE A 86 -4.951 -6.132 6.781 1.00 0.00 C ATOM 1317 O ILE A 86 -6.149 -5.964 7.008 1.00 0.00 O ATOM 1318 CB ILE A 86 -3.194 -5.105 8.237 1.00 0.00 C ATOM 1319 CG1 ILE A 86 -2.188 -5.337 9.371 1.00 0.00 C ATOM 1320 CG2 ILE A 86 -4.163 -3.993 8.611 1.00 0.00 C ATOM 1321 CD1 ILE A 86 -2.825 -5.739 10.682 1.00 0.00 C ATOM 0 H ILE A 86 -2.097 -7.265 7.651 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.547 -6.677 8.815 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.637 -4.814 7.347 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.485 -6.113 9.067 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.610 -4.425 9.523 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.605 -3.082 8.829 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.846 -3.811 7.781 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.733 -4.288 9.492 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.049 -5.885 11.434 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.506 -4.955 11.011 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.379 -6.668 10.548 1.00 0.00 H new ATOM 1333 N VAL A 87 -4.449 -6.152 5.546 1.00 0.00 N ATOM 1334 CA VAL A 87 -5.309 -5.972 4.381 1.00 0.00 C ATOM 1335 C VAL A 87 -6.383 -7.047 4.326 1.00 0.00 C ATOM 1336 O VAL A 87 -7.557 -6.733 4.197 1.00 0.00 O ATOM 1337 CB VAL A 87 -4.516 -5.976 3.059 1.00 0.00 C ATOM 1338 CG1 VAL A 87 -5.452 -5.948 1.858 1.00 0.00 C ATOM 1339 CG2 VAL A 87 -3.581 -4.788 3.004 1.00 0.00 C ATOM 0 H VAL A 87 -3.462 -6.290 5.330 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.776 -4.993 4.493 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.933 -6.896 3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.865 -5.951 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.098 -6.826 1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.064 -5.047 1.894 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.028 -4.804 2.065 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.159 -3.866 3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.881 -4.837 3.838 1.00 0.00 H new ATOM 1349 N ILE A 88 -5.990 -8.307 4.470 1.00 0.00 N ATOM 1350 CA ILE A 88 -6.959 -9.397 4.474 1.00 0.00 C ATOM 1351 C ILE A 88 -7.992 -9.217 5.579 1.00 0.00 C ATOM 1352 O ILE A 88 -9.193 -9.317 5.326 1.00 0.00 O ATOM 1353 CB ILE A 88 -6.280 -10.776 4.634 1.00 0.00 C ATOM 1354 CG1 ILE A 88 -5.408 -11.084 3.415 1.00 0.00 C ATOM 1355 CG2 ILE A 88 -7.324 -11.868 4.838 1.00 0.00 C ATOM 1356 CD1 ILE A 88 -6.186 -11.150 2.116 1.00 0.00 C ATOM 0 H ILE A 88 -5.019 -8.598 4.584 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.458 -9.366 3.505 1.00 0.00 H new ATOM 0 HB ILE A 88 -5.641 -10.747 5.517 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.636 -10.320 3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.899 -12.035 3.573 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -6.826 -12.831 4.949 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -7.904 -11.654 5.736 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.990 -11.901 3.976 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.505 -11.372 1.295 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.941 -11.934 2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.673 -10.192 1.935 1.00 0.00 H new ATOM 1368 N GLU A 89 -7.536 -8.961 6.799 1.00 0.00 N ATOM 1369 CA GLU A 89 -8.460 -8.798 7.909 1.00 0.00 C ATOM 1370 C GLU A 89 -9.395 -7.619 7.663 1.00 0.00 C ATOM 1371 O GLU A 89 -10.610 -7.781 7.679 1.00 0.00 O ATOM 1372 CB GLU A 89 -7.721 -8.596 9.230 1.00 0.00 C ATOM 1373 CG GLU A 89 -8.662 -8.516 10.424 1.00 0.00 C ATOM 1374 CD GLU A 89 -7.948 -8.302 11.742 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -6.706 -8.166 11.751 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -8.629 -8.280 12.787 1.00 0.00 O ATOM 0 H GLU A 89 -6.550 -8.864 7.040 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.045 -9.715 7.978 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.021 -9.418 9.379 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.131 -7.681 9.175 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.368 -7.701 10.266 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.244 -9.436 10.480 1.00 0.00 H new ATOM 1383 N MET A 90 -8.822 -6.449 7.394 1.00 0.00 N ATOM 1384 CA MET A 90 -9.604 -5.244 7.108 1.00 0.00 C ATOM 1385 C MET A 90 -10.523 -5.437 5.906 1.00 0.00 C ATOM 1386 O MET A 90 -11.667 -4.987 5.918 1.00 0.00 O ATOM 1387 CB MET A 90 -8.689 -4.036 6.911 1.00 0.00 C ATOM 1388 CG MET A 90 -8.009 -3.577 8.188 1.00 0.00 C ATOM 1389 SD MET A 90 -9.198 -3.074 9.448 1.00 0.00 S ATOM 1390 CE MET A 90 -8.099 -2.598 10.778 1.00 0.00 C ATOM 0 H MET A 90 -7.812 -6.307 7.367 1.00 0.00 H new ATOM 0 HA MET A 90 -10.239 -5.054 7.973 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.927 -4.284 6.172 1.00 0.00 H new ATOM 0 HB3 MET A 90 -9.273 -3.211 6.503 1.00 0.00 H new ATOM 0 HG2 MET A 90 -7.388 -4.384 8.578 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.344 -2.743 7.964 1.00 0.00 H new ATOM 0 HE1 MET A 90 -8.686 -2.262 11.633 1.00 0.00 H new ATOM 0 HE2 MET A 90 -7.490 -3.453 11.070 1.00 0.00 H new ATOM 0 HE3 MET A 90 -7.451 -1.788 10.442 1.00 0.00 H new ATOM 1400 N TYR A 91 -10.061 -6.198 4.928 1.00 0.00 N ATOM 1401 CA TYR A 91 -10.884 -6.578 3.784 1.00 0.00 C ATOM 1402 C TYR A 91 -12.127 -7.327 4.239 1.00 0.00 C ATOM 1403 O TYR A 91 -13.248 -6.958 3.887 1.00 0.00 O ATOM 1404 CB TYR A 91 -10.044 -7.445 2.849 1.00 0.00 C ATOM 1405 CG TYR A 91 -10.811 -8.403 1.971 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -11.631 -7.973 0.937 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -10.698 -9.765 2.195 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -12.315 -8.881 0.151 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -11.373 -10.676 1.422 1.00 0.00 C ATOM 1410 CZ TYR A 91 -12.181 -10.233 0.397 1.00 0.00 C ATOM 1411 OH TYR A 91 -12.864 -11.146 -0.374 1.00 0.00 O ATOM 0 H TYR A 91 -9.111 -6.570 4.901 1.00 0.00 H new ATOM 0 HA TYR A 91 -11.216 -5.683 3.258 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.454 -6.789 2.209 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.340 -8.019 3.452 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.736 -6.916 0.744 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.065 -10.118 2.996 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -12.950 -8.535 -0.651 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -11.272 -11.734 1.616 1.00 0.00 H new ATOM 0 HH TYR A 91 -12.656 -12.053 -0.068 1.00 0.00 H new ATOM 1421 N GLN A 92 -11.918 -8.340 5.068 1.00 0.00 N ATOM 1422 CA GLN A 92 -13.019 -9.109 5.633 1.00 0.00 C ATOM 1423 C GLN A 92 -13.896 -8.205 6.502 1.00 0.00 C ATOM 1424 O GLN A 92 -15.128 -8.265 6.450 1.00 0.00 O ATOM 1425 CB GLN A 92 -12.481 -10.281 6.459 1.00 0.00 C ATOM 1426 CG GLN A 92 -11.585 -11.219 5.667 1.00 0.00 C ATOM 1427 CD GLN A 92 -11.052 -12.360 6.508 1.00 0.00 C ATOM 1428 OE1 GLN A 92 -10.373 -12.143 7.514 1.00 0.00 O ATOM 1429 NE2 GLN A 92 -11.350 -13.580 6.101 1.00 0.00 N ATOM 0 H GLN A 92 -10.993 -8.650 5.365 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.623 -9.509 4.819 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.923 -9.890 7.310 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.321 -10.847 6.862 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.144 -11.624 4.823 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.749 -10.655 5.254 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.915 -13.714 5.262 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -11.015 -14.388 6.625 1.00 0.00 H new ATOM 1438 N ARG A 93 -13.234 -7.343 7.271 1.00 0.00 N ATOM 1439 CA ARG A 93 -13.893 -6.369 8.142 1.00 0.00 C ATOM 1440 C ARG A 93 -14.805 -5.434 7.354 1.00 0.00 C ATOM 1441 O ARG A 93 -15.758 -4.879 7.900 1.00 0.00 O ATOM 1442 CB ARG A 93 -12.842 -5.526 8.869 1.00 0.00 C ATOM 1443 CG ARG A 93 -11.912 -6.326 9.761 1.00 0.00 C ATOM 1444 CD ARG A 93 -12.649 -6.925 10.940 1.00 0.00 C ATOM 1445 NE ARG A 93 -13.151 -5.885 11.834 1.00 0.00 N ATOM 1446 CZ ARG A 93 -13.868 -6.120 12.925 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -14.333 -7.339 13.170 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -14.156 -5.120 13.747 1.00 0.00 N ATOM 0 H ARG A 93 -12.216 -7.300 7.308 1.00 0.00 H new ATOM 0 HA ARG A 93 -14.498 -6.928 8.856 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.247 -4.991 8.129 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -13.350 -4.775 9.474 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -11.445 -7.122 9.180 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.110 -5.682 10.122 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -13.480 -7.532 10.582 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -11.982 -7.589 11.489 1.00 0.00 H new ATOM 0 HE ARG A 93 -12.936 -4.915 11.605 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -14.139 -8.099 12.518 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -14.884 -7.515 14.010 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -13.827 -4.177 13.538 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -14.707 -5.293 14.588 1.00 0.00 H new ATOM 1462 N GLY A 94 -14.403 -5.123 6.128 1.00 0.00 N ATOM 1463 CA GLY A 94 -15.087 -4.097 5.368 1.00 0.00 C ATOM 1464 C GLY A 94 -14.488 -2.727 5.613 1.00 0.00 C ATOM 1465 O GLY A 94 -14.616 -1.827 4.792 1.00 0.00 O ATOM 0 H GLY A 94 -13.617 -5.562 5.648 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.032 -4.334 4.305 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.143 -4.086 5.638 1.00 0.00 H new ATOM 1469 N GLU A 95 -13.840 -2.572 6.758 1.00 0.00 N ATOM 1470 CA GLU A 95 -13.214 -1.312 7.153 1.00 0.00 C ATOM 1471 C GLU A 95 -12.185 -0.843 6.122 1.00 0.00 C ATOM 1472 O GLU A 95 -12.030 0.348 5.910 1.00 0.00 O ATOM 1473 CB GLU A 95 -12.536 -1.479 8.514 1.00 0.00 C ATOM 1474 CG GLU A 95 -13.468 -1.992 9.602 1.00 0.00 C ATOM 1475 CD GLU A 95 -12.775 -2.151 10.939 1.00 0.00 C ATOM 1476 OE1 GLU A 95 -12.295 -1.139 11.488 1.00 0.00 O ATOM 1477 OE2 GLU A 95 -12.709 -3.289 11.452 1.00 0.00 O ATOM 0 H GLU A 95 -13.731 -3.318 7.445 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.996 -0.555 7.215 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.698 -2.168 8.411 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.123 -0.519 8.824 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.306 -1.303 9.711 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.883 -2.952 9.296 1.00 0.00 H new ATOM 1484 N LEU A 96 -11.448 -1.775 5.523 1.00 0.00 N ATOM 1485 CA LEU A 96 -10.391 -1.418 4.572 1.00 0.00 C ATOM 1486 C LEU A 96 -10.988 -0.679 3.389 1.00 0.00 C ATOM 1487 O LEU A 96 -10.620 0.453 3.098 1.00 0.00 O ATOM 1488 CB LEU A 96 -9.668 -2.688 4.104 1.00 0.00 C ATOM 1489 CG LEU A 96 -8.383 -2.500 3.281 1.00 0.00 C ATOM 1490 CD1 LEU A 96 -7.677 -3.826 3.139 1.00 0.00 C ATOM 1491 CD2 LEU A 96 -8.664 -1.946 1.895 1.00 0.00 C ATOM 0 H LEU A 96 -11.559 -2.777 5.676 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.670 -0.763 5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.422 -3.281 4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.367 -3.276 3.509 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.759 -1.782 3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.766 -3.693 2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.422 -4.210 4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.332 -4.535 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.726 -1.831 1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -9.315 -2.633 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.154 -0.976 1.983 1.00 0.00 H new ATOM 1503 N GLN A 97 -11.966 -1.306 2.770 1.00 0.00 N ATOM 1504 CA GLN A 97 -12.695 -0.703 1.663 1.00 0.00 C ATOM 1505 C GLN A 97 -13.471 0.514 2.126 1.00 0.00 C ATOM 1506 O GLN A 97 -13.658 1.459 1.378 1.00 0.00 O ATOM 1507 CB GLN A 97 -13.631 -1.719 1.002 1.00 0.00 C ATOM 1508 CG GLN A 97 -14.544 -2.447 1.975 1.00 0.00 C ATOM 1509 CD GLN A 97 -15.449 -3.452 1.297 1.00 0.00 C ATOM 1510 OE1 GLN A 97 -16.291 -3.094 0.477 1.00 0.00 O ATOM 1511 NE2 GLN A 97 -15.275 -4.722 1.630 1.00 0.00 N ATOM 0 H GLN A 97 -12.281 -2.245 3.015 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.965 -0.381 0.920 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -14.243 -1.204 0.262 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.031 -2.453 0.465 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.936 -2.959 2.721 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -15.155 -1.717 2.507 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -14.564 -4.977 2.316 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -15.852 -5.445 1.201 1.00 0.00 H new ATOM 1520 N GLN A 98 -13.866 0.503 3.383 1.00 0.00 N ATOM 1521 CA GLN A 98 -14.554 1.592 3.996 1.00 0.00 C ATOM 1522 C GLN A 98 -13.653 2.822 4.038 1.00 0.00 C ATOM 1523 O GLN A 98 -14.052 3.921 3.643 1.00 0.00 O ATOM 1524 CB GLN A 98 -14.965 1.116 5.386 1.00 0.00 C ATOM 1525 CG GLN A 98 -15.418 2.200 6.303 1.00 0.00 C ATOM 1526 CD GLN A 98 -16.689 2.907 5.851 1.00 0.00 C ATOM 1527 OE1 GLN A 98 -17.112 3.886 6.457 1.00 0.00 O ATOM 1528 NE2 GLN A 98 -17.331 2.394 4.809 1.00 0.00 N ATOM 0 H GLN A 98 -13.708 -0.286 4.010 1.00 0.00 H new ATOM 0 HA GLN A 98 -15.440 1.889 3.435 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -15.768 0.386 5.283 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -14.121 0.600 5.843 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -15.583 1.777 7.294 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -14.620 2.936 6.399 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -16.952 1.579 4.327 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -18.204 2.815 4.490 1.00 0.00 H new ATOM 1537 N LEU A 99 -12.407 2.592 4.414 1.00 0.00 N ATOM 1538 CA LEU A 99 -11.389 3.633 4.399 1.00 0.00 C ATOM 1539 C LEU A 99 -11.059 4.013 2.966 1.00 0.00 C ATOM 1540 O LEU A 99 -10.995 5.196 2.622 1.00 0.00 O ATOM 1541 CB LEU A 99 -10.112 3.144 5.088 1.00 0.00 C ATOM 1542 CG LEU A 99 -10.307 2.527 6.472 1.00 0.00 C ATOM 1543 CD1 LEU A 99 -8.971 2.095 7.054 1.00 0.00 C ATOM 1544 CD2 LEU A 99 -11.011 3.499 7.408 1.00 0.00 C ATOM 0 H LEU A 99 -12.072 1.684 4.737 1.00 0.00 H new ATOM 0 HA LEU A 99 -11.778 4.500 4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.632 2.406 4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.424 3.984 5.178 1.00 0.00 H new ATOM 0 HG LEU A 99 -10.939 1.646 6.365 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -9.128 1.658 8.040 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.510 1.356 6.398 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -8.315 2.961 7.142 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -11.137 3.035 8.386 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -10.412 4.404 7.510 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.988 3.755 6.999 1.00 0.00 H new ATOM 1556 N ILE A 100 -10.840 2.994 2.136 1.00 0.00 N ATOM 1557 CA ILE A 100 -10.496 3.207 0.738 1.00 0.00 C ATOM 1558 C ILE A 100 -11.569 4.022 0.048 1.00 0.00 C ATOM 1559 O ILE A 100 -11.262 4.951 -0.662 1.00 0.00 O ATOM 1560 CB ILE A 100 -10.308 1.878 -0.035 1.00 0.00 C ATOM 1561 CG1 ILE A 100 -9.145 1.061 0.539 1.00 0.00 C ATOM 1562 CG2 ILE A 100 -10.084 2.148 -1.521 1.00 0.00 C ATOM 1563 CD1 ILE A 100 -7.798 1.741 0.442 1.00 0.00 C ATOM 0 H ILE A 100 -10.896 2.013 2.411 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.547 3.744 0.731 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.221 1.294 0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.353 0.841 1.586 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -9.095 0.106 0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.954 1.202 -2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.947 2.675 -1.929 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -9.191 2.760 -1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.032 1.094 0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.564 1.936 -0.604 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.826 2.683 0.990 1.00 0.00 H new ATOM 1575 N LYS A 101 -12.822 3.646 0.240 1.00 0.00 N ATOM 1576 CA LYS A 101 -13.931 4.319 -0.406 1.00 0.00 C ATOM 1577 C LYS A 101 -13.927 5.808 -0.119 1.00 0.00 C ATOM 1578 O LYS A 101 -14.029 6.619 -1.029 1.00 0.00 O ATOM 1579 CB LYS A 101 -15.247 3.724 0.071 1.00 0.00 C ATOM 1580 CG LYS A 101 -16.449 4.397 -0.544 1.00 0.00 C ATOM 1581 CD LYS A 101 -17.756 3.829 -0.014 1.00 0.00 C ATOM 1582 CE LYS A 101 -17.963 4.148 1.462 1.00 0.00 C ATOM 1583 NZ LYS A 101 -18.155 5.606 1.702 1.00 0.00 N ATOM 0 H LYS A 101 -13.096 2.871 0.844 1.00 0.00 H new ATOM 0 HA LYS A 101 -13.821 4.176 -1.481 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.268 2.661 -0.170 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -15.306 3.806 1.156 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -16.409 5.467 -0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -16.416 4.279 -1.627 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -18.587 4.233 -0.592 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -17.765 2.748 -0.156 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -18.832 3.603 1.831 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -17.102 3.798 2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -18.475 5.758 2.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -17.255 6.104 1.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -18.870 5.975 1.043 1.00 0.00 H new ATOM 1597 N GLU A 102 -13.826 6.155 1.150 1.00 0.00 N ATOM 1598 CA GLU A 102 -13.833 7.552 1.554 1.00 0.00 C ATOM 1599 C GLU A 102 -12.661 8.305 0.924 1.00 0.00 C ATOM 1600 O GLU A 102 -12.842 9.364 0.318 1.00 0.00 O ATOM 1601 CB GLU A 102 -13.778 7.657 3.079 1.00 0.00 C ATOM 1602 CG GLU A 102 -13.780 9.086 3.584 1.00 0.00 C ATOM 1603 CD GLU A 102 -13.802 9.179 5.093 1.00 0.00 C ATOM 1604 OE1 GLU A 102 -13.851 8.128 5.764 1.00 0.00 O ATOM 1605 OE2 GLU A 102 -13.782 10.312 5.614 1.00 0.00 O ATOM 0 H GLU A 102 -13.738 5.491 1.920 1.00 0.00 H new ATOM 0 HA GLU A 102 -14.758 8.010 1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -14.632 7.128 3.503 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.880 7.154 3.438 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -12.896 9.600 3.207 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.648 9.607 3.181 1.00 0.00 H new ATOM 1612 N THR A 103 -11.475 7.727 1.038 1.00 0.00 N ATOM 1613 CA THR A 103 -10.275 8.304 0.457 1.00 0.00 C ATOM 1614 C THR A 103 -10.343 8.331 -1.065 1.00 0.00 C ATOM 1615 O THR A 103 -10.078 9.348 -1.699 1.00 0.00 O ATOM 1616 CB THR A 103 -9.041 7.495 0.882 1.00 0.00 C ATOM 1617 OG1 THR A 103 -8.913 7.501 2.307 1.00 0.00 O ATOM 1618 CG2 THR A 103 -7.786 8.050 0.249 1.00 0.00 C ATOM 0 H THR A 103 -11.319 6.849 1.533 1.00 0.00 H new ATOM 0 HA THR A 103 -10.199 9.329 0.821 1.00 0.00 H new ATOM 0 HB THR A 103 -9.174 6.469 0.539 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.493 6.810 2.690 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.927 7.459 0.566 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.876 8.006 -0.836 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.649 9.086 0.560 1.00 0.00 H new ATOM 1626 N ALA A 104 -10.612 7.187 -1.637 1.00 0.00 N ATOM 1627 CA ALA A 104 -10.607 7.026 -3.070 1.00 0.00 C ATOM 1628 C ALA A 104 -11.663 7.892 -3.740 1.00 0.00 C ATOM 1629 O ALA A 104 -11.395 8.491 -4.768 1.00 0.00 O ATOM 1630 CB ALA A 104 -10.798 5.569 -3.431 1.00 0.00 C ATOM 0 H ALA A 104 -10.842 6.337 -1.122 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.637 7.358 -3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -10.793 5.459 -4.515 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -9.988 4.979 -3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -11.751 5.218 -3.036 1.00 0.00 H new ATOM 1636 N ALA A 105 -12.868 7.922 -3.185 1.00 0.00 N ATOM 1637 CA ALA A 105 -13.958 8.680 -3.788 1.00 0.00 C ATOM 1638 C ALA A 105 -13.573 10.138 -3.994 1.00 0.00 C ATOM 1639 O ALA A 105 -13.814 10.700 -5.057 1.00 0.00 O ATOM 1640 CB ALA A 105 -15.219 8.589 -2.945 1.00 0.00 C ATOM 0 H ALA A 105 -13.115 7.434 -2.324 1.00 0.00 H new ATOM 0 HA ALA A 105 -14.158 8.237 -4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -16.015 9.163 -3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -15.525 7.546 -2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -15.022 8.992 -1.951 1.00 0.00 H new ATOM 1646 N LYS A 106 -12.954 10.742 -2.993 1.00 0.00 N ATOM 1647 CA LYS A 106 -12.531 12.130 -3.110 1.00 0.00 C ATOM 1648 C LYS A 106 -11.381 12.273 -4.104 1.00 0.00 C ATOM 1649 O LYS A 106 -11.258 13.296 -4.773 1.00 0.00 O ATOM 1650 CB LYS A 106 -12.212 12.747 -1.732 1.00 0.00 C ATOM 1651 CG LYS A 106 -11.077 12.094 -0.949 1.00 0.00 C ATOM 1652 CD LYS A 106 -9.694 12.530 -1.424 1.00 0.00 C ATOM 1653 CE LYS A 106 -9.526 14.044 -1.382 1.00 0.00 C ATOM 1654 NZ LYS A 106 -9.677 14.594 -0.009 1.00 0.00 N ATOM 0 H LYS A 106 -12.735 10.301 -2.100 1.00 0.00 H new ATOM 0 HA LYS A 106 -13.366 12.704 -3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.968 13.800 -1.876 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.115 12.710 -1.122 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.185 12.338 0.108 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.160 11.011 -1.036 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.932 12.063 -0.799 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.532 12.176 -2.442 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -8.542 14.308 -1.770 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.263 14.507 -2.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -9.487 15.616 -0.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.647 14.426 0.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -9.003 14.125 0.629 1.00 0.00 H new ATOM 1668 N TYR A 107 -10.565 11.232 -4.239 1.00 0.00 N ATOM 1669 CA TYR A 107 -9.472 11.264 -5.200 1.00 0.00 C ATOM 1670 C TYR A 107 -9.951 10.980 -6.629 1.00 0.00 C ATOM 1671 O TYR A 107 -9.704 11.784 -7.528 1.00 0.00 O ATOM 1672 CB TYR A 107 -8.341 10.320 -4.793 1.00 0.00 C ATOM 1673 CG TYR A 107 -7.513 10.836 -3.635 1.00 0.00 C ATOM 1674 CD1 TYR A 107 -6.767 11.994 -3.779 1.00 0.00 C ATOM 1675 CD2 TYR A 107 -7.445 10.163 -2.414 1.00 0.00 C ATOM 1676 CE1 TYR A 107 -5.985 12.472 -2.752 1.00 0.00 C ATOM 1677 CE2 TYR A 107 -6.670 10.637 -1.385 1.00 0.00 C ATOM 1678 CZ TYR A 107 -5.938 11.793 -1.555 1.00 0.00 C ATOM 1679 OH TYR A 107 -5.153 12.277 -0.535 1.00 0.00 O ATOM 0 H TYR A 107 -10.639 10.368 -3.702 1.00 0.00 H new ATOM 0 HA TYR A 107 -9.074 12.279 -5.193 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.765 9.352 -4.524 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -7.689 10.155 -5.651 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -6.799 12.532 -4.715 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -8.012 9.254 -2.277 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.410 13.377 -2.885 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -6.634 10.106 -0.445 1.00 0.00 H new ATOM 0 HH TYR A 107 -5.228 11.687 0.244 1.00 0.00 H new ATOM 1689 N LYS A 108 -10.780 9.953 -6.803 1.00 0.00 N ATOM 1690 CA LYS A 108 -11.454 9.738 -8.082 1.00 0.00 C ATOM 1691 C LYS A 108 -12.635 10.698 -8.230 1.00 0.00 C ATOM 1692 O LYS A 108 -12.787 11.643 -7.456 1.00 0.00 O ATOM 1693 CB LYS A 108 -11.946 8.287 -8.250 1.00 0.00 C ATOM 1694 CG LYS A 108 -10.927 7.288 -8.804 1.00 0.00 C ATOM 1695 CD LYS A 108 -9.849 6.930 -7.808 1.00 0.00 C ATOM 1696 CE LYS A 108 -10.456 6.384 -6.533 1.00 0.00 C ATOM 1697 NZ LYS A 108 -11.265 5.136 -6.728 1.00 0.00 N ATOM 0 H LYS A 108 -11.000 9.264 -6.084 1.00 0.00 H new ATOM 0 HA LYS A 108 -10.719 9.932 -8.863 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -12.287 7.926 -7.280 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -12.813 8.294 -8.910 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -11.446 6.380 -9.111 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -10.464 7.707 -9.697 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -9.177 6.190 -8.243 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -9.249 7.811 -7.582 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.657 6.179 -5.821 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -11.091 7.150 -6.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -12.248 5.311 -6.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -11.243 4.861 -7.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -10.865 4.369 -6.150 1.00 0.00 H new ATOM 1711 N SER A 109 -13.516 10.393 -9.166 1.00 0.00 N ATOM 1712 CA SER A 109 -14.742 11.149 -9.360 1.00 0.00 C ATOM 1713 C SER A 109 -15.869 10.635 -8.487 1.00 0.00 C ATOM 1714 O SER A 109 -16.925 10.211 -8.961 1.00 0.00 O ATOM 1715 CB SER A 109 -15.142 11.128 -10.794 1.00 0.00 C ATOM 1716 OG SER A 109 -15.133 9.811 -11.314 1.00 0.00 O ATOM 0 H SER A 109 -13.402 9.614 -9.814 1.00 0.00 H new ATOM 0 HA SER A 109 -14.543 12.178 -9.061 1.00 0.00 H new ATOM 0 HB2 SER A 109 -16.139 11.556 -10.902 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.462 11.754 -11.372 1.00 0.00 H new ATOM 0 HG SER A 109 -15.401 9.830 -12.256 1.00 0.00 H new ATOM 1722 N GLU A 110 -15.600 10.690 -7.220 1.00 0.00 N ATOM 1723 CA GLU A 110 -16.521 10.254 -6.171 1.00 0.00 C ATOM 1724 C GLU A 110 -16.920 8.794 -6.373 1.00 0.00 C ATOM 1725 O GLU A 110 -18.101 8.443 -6.359 1.00 0.00 O ATOM 1726 CB GLU A 110 -17.751 11.158 -6.132 1.00 0.00 C ATOM 1727 CG GLU A 110 -17.422 12.619 -5.869 1.00 0.00 C ATOM 1728 CD GLU A 110 -18.659 13.488 -5.780 1.00 0.00 C ATOM 1729 OE1 GLU A 110 -19.465 13.287 -4.851 1.00 0.00 O ATOM 1730 OE2 GLU A 110 -18.837 14.370 -6.645 1.00 0.00 O ATOM 0 H GLU A 110 -14.715 11.046 -6.858 1.00 0.00 H new ATOM 0 HA GLU A 110 -16.012 10.331 -5.210 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -18.281 11.078 -7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -18.430 10.801 -5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -16.859 12.699 -4.939 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -16.777 12.991 -6.665 1.00 0.00 H new ATOM 1737 N GLU A 111 -15.916 7.962 -6.615 1.00 0.00 N ATOM 1738 CA GLU A 111 -16.119 6.544 -6.883 1.00 0.00 C ATOM 1739 C GLU A 111 -16.632 5.776 -5.663 1.00 0.00 C ATOM 1740 O GLU A 111 -16.138 5.942 -4.545 1.00 0.00 O ATOM 1741 CB GLU A 111 -14.820 5.920 -7.384 1.00 0.00 C ATOM 1742 CG GLU A 111 -14.402 6.394 -8.768 1.00 0.00 C ATOM 1743 CD GLU A 111 -15.386 6.023 -9.863 1.00 0.00 C ATOM 1744 OE1 GLU A 111 -16.436 5.422 -9.565 1.00 0.00 O ATOM 1745 OE2 GLU A 111 -15.104 6.328 -11.040 1.00 0.00 O ATOM 0 H GLU A 111 -14.938 8.251 -6.631 1.00 0.00 H new ATOM 0 HA GLU A 111 -16.890 6.471 -7.650 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -14.023 6.148 -6.677 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -14.932 4.836 -7.400 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -14.283 7.477 -8.751 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -13.427 5.970 -9.009 1.00 0.00 H new ATOM 1752 N PRO A 112 -17.628 4.905 -5.881 1.00 0.00 N ATOM 1753 CA PRO A 112 -18.231 4.059 -4.852 1.00 0.00 C ATOM 1754 C PRO A 112 -17.403 2.809 -4.544 1.00 0.00 C ATOM 1755 O PRO A 112 -17.902 1.690 -4.681 1.00 0.00 O ATOM 1756 CB PRO A 112 -19.557 3.634 -5.488 1.00 0.00 C ATOM 1757 CG PRO A 112 -19.662 4.392 -6.765 1.00 0.00 C ATOM 1758 CD PRO A 112 -18.254 4.636 -7.168 1.00 0.00 C ATOM 0 HA PRO A 112 -18.321 4.591 -3.905 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.576 2.559 -5.670 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -20.396 3.861 -4.830 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -20.199 3.821 -7.523 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -20.204 5.328 -6.628 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -17.814 3.772 -7.666 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -18.163 5.479 -7.853 1.00 0.00 H new ATOM 1766 N ASP A 113 -16.120 3.004 -4.274 1.00 0.00 N ATOM 1767 CA ASP A 113 -15.162 1.896 -4.108 1.00 0.00 C ATOM 1768 C ASP A 113 -15.710 0.765 -3.234 1.00 0.00 C ATOM 1769 O ASP A 113 -15.826 -0.371 -3.688 1.00 0.00 O ATOM 1770 CB ASP A 113 -13.852 2.419 -3.499 1.00 0.00 C ATOM 1771 CG ASP A 113 -13.070 3.339 -4.432 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -13.587 4.416 -4.797 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -11.922 2.995 -4.789 1.00 0.00 O ATOM 0 H ASP A 113 -15.705 3.929 -4.162 1.00 0.00 H new ATOM 0 HA ASP A 113 -14.982 1.485 -5.101 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.078 2.956 -2.578 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -13.223 1.571 -3.227 1.00 0.00 H new ATOM 1778 N ALA A 114 -16.063 1.074 -1.997 1.00 0.00 N ATOM 1779 CA ALA A 114 -16.613 0.066 -1.091 1.00 0.00 C ATOM 1780 C ALA A 114 -18.121 -0.066 -1.238 1.00 0.00 C ATOM 1781 O ALA A 114 -18.699 -1.095 -0.893 1.00 0.00 O ATOM 1782 CB ALA A 114 -16.270 0.384 0.353 1.00 0.00 C ATOM 0 H ALA A 114 -15.981 2.008 -1.594 1.00 0.00 H new ATOM 0 HA ALA A 114 -16.157 -0.885 -1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -16.691 -0.382 1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.187 0.407 0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -16.685 1.356 0.620 1.00 0.00 H new ATOM 1788 N GLU A 115 -18.761 1.057 -1.515 1.00 0.00 N ATOM 1789 CA GLU A 115 -20.204 1.152 -1.426 1.00 0.00 C ATOM 1790 C GLU A 115 -20.723 2.174 -2.426 1.00 0.00 C ATOM 1791 O GLU A 115 -20.464 3.378 -2.232 1.00 0.00 O ATOM 1792 CB GLU A 115 -20.574 1.567 0.002 1.00 0.00 C ATOM 1793 CG GLU A 115 -22.057 1.752 0.250 1.00 0.00 C ATOM 1794 CD GLU A 115 -22.334 2.230 1.659 1.00 0.00 C ATOM 1795 OE1 GLU A 115 -21.831 3.310 2.034 1.00 0.00 O ATOM 1796 OE2 GLU A 115 -23.038 1.520 2.405 1.00 0.00 O ATOM 1797 OXT GLU A 115 -21.362 1.762 -3.417 1.00 0.00 O ATOM 0 H GLU A 115 -18.299 1.919 -1.805 1.00 0.00 H new ATOM 0 HA GLU A 115 -20.658 0.189 -1.660 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -20.196 0.813 0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -20.062 2.500 0.237 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -22.458 2.471 -0.464 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -22.575 0.809 0.077 1.00 0.00 H new TER 1804 GLU A 115