USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 390 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 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 25 THR OG1 : rot 65:sc= 0.829 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.135) USER MOD Single : A 34 LYS NZ :NH3+ -156:sc= -0.098 (180deg=-0.554) USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= -2.54! (180deg=-4.2!) USER MOD Single : A 46 THR OG1 : rot 120:sc= -0.346 USER MOD Single : A 48 ASN : amide:sc= -14.5! C(o=-15!,f=-17!) USER MOD Single : A 49 ASN : amide:sc= -12! K(o=-12!,f=-1.6) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0177) USER MOD Single : A 56 THR OG1 : rot 58:sc= 0.876 USER MOD Single : A 57 SER OG : rot -46:sc= 0.889 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0722 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.529 X(o=-0.53,f=-0.15) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 -0.129 19.745 -6.015 1.00 0.00 N ATOM 2 CA LYS A 21 -0.702 18.362 -5.928 1.00 0.00 C ATOM 3 C LYS A 21 -0.807 17.862 -7.357 1.00 0.00 C ATOM 4 O LYS A 21 -0.722 16.693 -7.651 1.00 0.00 O ATOM 5 CB LYS A 21 -2.106 18.386 -5.260 1.00 0.00 C ATOM 6 CG LYS A 21 -2.027 17.917 -3.780 1.00 0.00 C ATOM 7 CD LYS A 21 -2.301 16.403 -3.680 1.00 0.00 C ATOM 8 CE LYS A 21 -3.811 16.142 -3.619 1.00 0.00 C ATOM 9 NZ LYS A 21 -4.082 14.715 -3.950 1.00 0.00 N ATOM 0 HA LYS A 21 -0.072 17.713 -5.320 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.516 19.395 -5.304 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.787 17.740 -5.814 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.041 18.142 -3.373 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.753 18.465 -3.179 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.870 15.890 -4.540 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.818 15.996 -2.792 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.191 16.374 -2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.332 16.794 -4.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.106 14.537 -3.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.733 14.508 -4.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.596 14.101 -3.265 1.00 0.00 H new ATOM 23 N LEU A 22 -0.977 18.791 -8.223 1.00 0.00 N ATOM 24 CA LEU A 22 -1.098 18.536 -9.675 1.00 0.00 C ATOM 25 C LEU A 22 -0.073 17.499 -10.171 1.00 0.00 C ATOM 26 O LEU A 22 -0.436 16.452 -10.665 1.00 0.00 O ATOM 27 CB LEU A 22 -0.818 19.892 -10.314 1.00 0.00 C ATOM 28 CG LEU A 22 -0.466 19.772 -11.798 1.00 0.00 C ATOM 29 CD1 LEU A 22 -1.549 18.973 -12.533 1.00 0.00 C ATOM 30 CD2 LEU A 22 -0.375 21.176 -12.404 1.00 0.00 C ATOM 0 H LEU A 22 -1.042 19.778 -7.975 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.077 18.128 -9.928 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.693 20.532 -10.201 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.003 20.378 -9.786 1.00 0.00 H new ATOM 0 HG LEU A 22 0.489 19.256 -11.902 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.289 18.893 -13.589 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.621 17.975 -12.101 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.508 19.482 -12.433 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.124 21.100 -13.462 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.334 21.683 -12.294 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.398 21.746 -11.888 1.00 0.00 H new ATOM 42 N LEU A 23 1.200 17.787 -10.070 1.00 0.00 N ATOM 43 CA LEU A 23 2.222 16.821 -10.565 1.00 0.00 C ATOM 44 C LEU A 23 2.504 15.849 -9.453 1.00 0.00 C ATOM 45 O LEU A 23 2.639 14.659 -9.648 1.00 0.00 O ATOM 46 CB LEU A 23 3.490 17.594 -10.957 1.00 0.00 C ATOM 47 CG LEU A 23 4.267 16.842 -12.062 1.00 0.00 C ATOM 48 CD1 LEU A 23 3.704 17.206 -13.442 1.00 0.00 C ATOM 49 CD2 LEU A 23 5.748 17.231 -12.008 1.00 0.00 C ATOM 0 H LEU A 23 1.573 18.647 -9.667 1.00 0.00 H new ATOM 0 HA LEU A 23 1.870 16.278 -11.442 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.221 18.590 -11.308 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.127 17.725 -10.082 1.00 0.00 H new ATOM 0 HG LEU A 23 4.161 15.770 -11.898 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.258 16.671 -14.214 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.652 16.926 -13.491 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.802 18.280 -13.603 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.293 16.699 -12.788 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.848 18.305 -12.164 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.159 16.966 -11.034 1.00 0.00 H new ATOM 61 N ILE A 24 2.551 16.364 -8.277 1.00 0.00 N ATOM 62 CA ILE A 24 2.781 15.515 -7.097 1.00 0.00 C ATOM 63 C ILE A 24 1.722 14.410 -7.146 1.00 0.00 C ATOM 64 O ILE A 24 1.847 13.371 -6.528 1.00 0.00 O ATOM 65 CB ILE A 24 2.639 16.384 -5.823 1.00 0.00 C ATOM 66 CG1 ILE A 24 2.726 17.888 -6.210 1.00 0.00 C ATOM 67 CG2 ILE A 24 3.753 16.033 -4.821 1.00 0.00 C ATOM 68 CD1 ILE A 24 3.016 18.743 -4.971 1.00 0.00 C ATOM 0 H ILE A 24 2.438 17.358 -8.076 1.00 0.00 H new ATOM 0 HA ILE A 24 3.777 15.073 -7.085 1.00 0.00 H new ATOM 0 HB ILE A 24 1.673 16.187 -5.357 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.511 18.034 -6.952 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.790 18.207 -6.669 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.646 16.648 -3.928 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.678 14.981 -4.548 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.725 16.221 -5.277 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.074 19.793 -5.259 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.217 18.610 -4.242 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.964 18.435 -4.530 1.00 0.00 H new ATOM 80 N THR A 25 0.687 14.641 -7.919 1.00 0.00 N ATOM 81 CA THR A 25 -0.396 13.627 -8.073 1.00 0.00 C ATOM 82 C THR A 25 -0.168 12.855 -9.375 1.00 0.00 C ATOM 83 O THR A 25 -0.237 11.646 -9.398 1.00 0.00 O ATOM 84 CB THR A 25 -1.758 14.323 -8.130 1.00 0.00 C ATOM 85 OG1 THR A 25 -2.038 14.921 -6.872 1.00 0.00 O ATOM 86 CG2 THR A 25 -2.847 13.299 -8.458 1.00 0.00 C ATOM 0 H THR A 25 0.548 15.499 -8.454 1.00 0.00 H new ATOM 0 HA THR A 25 -0.380 12.944 -7.223 1.00 0.00 H new ATOM 0 HB THR A 25 -1.737 15.091 -8.904 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.388 15.634 -6.697 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.815 13.798 -8.498 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.636 12.840 -9.424 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.867 12.529 -7.687 1.00 0.00 H new ATOM 94 N ILE A 26 0.114 13.537 -10.463 1.00 0.00 N ATOM 95 CA ILE A 26 0.347 12.802 -11.745 1.00 0.00 C ATOM 96 C ILE A 26 1.578 11.949 -11.589 1.00 0.00 C ATOM 97 O ILE A 26 1.589 10.761 -11.839 1.00 0.00 O ATOM 98 CB ILE A 26 0.595 13.800 -12.879 1.00 0.00 C ATOM 99 CG1 ILE A 26 -0.684 14.613 -13.142 1.00 0.00 C ATOM 100 CG2 ILE A 26 1.003 13.047 -14.156 1.00 0.00 C ATOM 101 CD1 ILE A 26 -0.326 15.923 -13.849 1.00 0.00 C ATOM 0 H ILE A 26 0.191 14.553 -10.517 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.525 12.191 -11.978 1.00 0.00 H new ATOM 0 HB ILE A 26 1.399 14.477 -12.591 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.375 14.034 -13.755 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.193 14.823 -12.201 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.178 13.762 -14.960 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.915 12.481 -13.969 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.205 12.364 -14.446 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.234 16.497 -14.034 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.348 16.504 -13.219 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.163 15.703 -14.798 1.00 0.00 H new ATOM 113 N HIS A 27 2.609 12.579 -11.181 1.00 0.00 N ATOM 114 CA HIS A 27 3.894 11.884 -10.986 1.00 0.00 C ATOM 115 C HIS A 27 3.670 10.670 -10.079 1.00 0.00 C ATOM 116 O HIS A 27 4.519 9.811 -9.955 1.00 0.00 O ATOM 117 CB HIS A 27 4.879 12.884 -10.360 1.00 0.00 C ATOM 118 CG HIS A 27 6.271 12.621 -10.859 1.00 0.00 C ATOM 119 ND1 HIS A 27 7.282 12.128 -10.052 1.00 0.00 N ATOM 120 CD2 HIS A 27 6.823 12.788 -12.101 1.00 0.00 C ATOM 121 CE1 HIS A 27 8.386 12.015 -10.814 1.00 0.00 C ATOM 122 NE2 HIS A 27 8.161 12.405 -12.074 1.00 0.00 N ATOM 0 H HIS A 27 2.626 13.576 -10.965 1.00 0.00 H new ATOM 0 HA HIS A 27 4.305 11.525 -11.930 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.582 13.903 -10.609 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.852 12.801 -9.274 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.300 13.160 -12.969 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.337 11.654 -10.452 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.826 12.419 -12.847 1.00 0.00 H new ATOM 130 N ASP A 28 2.518 10.595 -9.453 1.00 0.00 N ATOM 131 CA ASP A 28 2.201 9.439 -8.556 1.00 0.00 C ATOM 132 C ASP A 28 1.063 8.619 -9.169 1.00 0.00 C ATOM 133 O ASP A 28 1.110 7.405 -9.196 1.00 0.00 O ATOM 134 CB ASP A 28 1.763 9.956 -7.185 1.00 0.00 C ATOM 135 CG ASP A 28 2.874 10.818 -6.584 1.00 0.00 C ATOM 136 OD1 ASP A 28 3.865 11.031 -7.264 1.00 0.00 O ATOM 137 OD2 ASP A 28 2.716 11.252 -5.455 1.00 0.00 O ATOM 0 H ASP A 28 1.778 11.293 -9.527 1.00 0.00 H new ATOM 0 HA ASP A 28 3.088 8.816 -8.444 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.847 10.540 -7.281 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.540 9.119 -6.523 1.00 0.00 H new ATOM 142 N ARG A 29 0.036 9.264 -9.663 1.00 0.00 N ATOM 143 CA ARG A 29 -1.088 8.496 -10.268 1.00 0.00 C ATOM 144 C ARG A 29 -0.521 7.627 -11.391 1.00 0.00 C ATOM 145 O ARG A 29 -1.149 6.696 -11.851 1.00 0.00 O ATOM 146 CB ARG A 29 -2.202 9.477 -10.753 1.00 0.00 C ATOM 147 CG ARG A 29 -2.452 9.419 -12.274 1.00 0.00 C ATOM 148 CD ARG A 29 -3.714 10.207 -12.604 1.00 0.00 C ATOM 149 NE ARG A 29 -3.799 10.383 -14.088 1.00 0.00 N ATOM 150 CZ ARG A 29 -2.915 11.071 -14.754 1.00 0.00 C ATOM 151 NH1 ARG A 29 -1.996 11.749 -14.126 1.00 0.00 N ATOM 152 NH2 ARG A 29 -2.970 11.109 -16.057 1.00 0.00 N ATOM 0 H ARG A 29 -0.070 10.278 -9.673 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.559 7.838 -9.538 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.131 9.247 -10.231 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.925 10.494 -10.477 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.599 9.834 -12.811 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.560 8.384 -12.598 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.595 9.681 -12.235 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.693 11.178 -12.109 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.573 9.951 -14.594 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.965 11.743 -13.106 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.307 12.285 -14.654 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.703 10.601 -16.552 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.280 11.647 -16.581 1.00 0.00 H new ATOM 166 N LYS A 30 0.676 7.913 -11.814 1.00 0.00 N ATOM 167 CA LYS A 30 1.299 7.093 -12.886 1.00 0.00 C ATOM 168 C LYS A 30 1.359 5.650 -12.397 1.00 0.00 C ATOM 169 O LYS A 30 1.117 4.715 -13.136 1.00 0.00 O ATOM 170 CB LYS A 30 2.714 7.602 -13.171 1.00 0.00 C ATOM 171 CG LYS A 30 3.277 6.887 -14.400 1.00 0.00 C ATOM 172 CD LYS A 30 4.746 7.269 -14.585 1.00 0.00 C ATOM 173 CE LYS A 30 5.291 6.606 -15.851 1.00 0.00 C ATOM 174 NZ LYS A 30 4.760 7.314 -17.051 1.00 0.00 N ATOM 0 H LYS A 30 1.250 8.680 -11.464 1.00 0.00 H new ATOM 0 HA LYS A 30 0.715 7.160 -13.804 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.697 8.679 -13.340 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.356 7.425 -12.308 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.183 5.808 -14.280 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.705 7.160 -15.287 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.845 8.352 -14.658 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.327 6.954 -13.718 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.381 6.637 -15.850 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.002 5.555 -15.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.302 7.028 -17.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.759 7.067 -17.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.848 8.341 -16.915 1.00 0.00 H new ATOM 188 N GLU A 31 1.660 5.470 -11.140 1.00 0.00 N ATOM 189 CA GLU A 31 1.718 4.099 -10.567 1.00 0.00 C ATOM 190 C GLU A 31 0.307 3.693 -10.147 1.00 0.00 C ATOM 191 O GLU A 31 -0.134 2.585 -10.380 1.00 0.00 O ATOM 192 CB GLU A 31 2.633 4.101 -9.341 1.00 0.00 C ATOM 193 CG GLU A 31 3.876 4.945 -9.634 1.00 0.00 C ATOM 194 CD GLU A 31 4.923 4.708 -8.544 1.00 0.00 C ATOM 195 OE1 GLU A 31 4.734 5.213 -7.450 1.00 0.00 O ATOM 196 OE2 GLU A 31 5.895 4.027 -8.823 1.00 0.00 O ATOM 0 H GLU A 31 1.869 6.221 -10.482 1.00 0.00 H new ATOM 0 HA GLU A 31 2.107 3.397 -11.305 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.102 4.503 -8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.924 3.081 -9.089 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.285 4.682 -10.609 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.610 6.001 -9.674 1.00 0.00 H new ATOM 203 N PHE A 32 -0.407 4.595 -9.530 1.00 0.00 N ATOM 204 CA PHE A 32 -1.791 4.276 -9.097 1.00 0.00 C ATOM 205 C PHE A 32 -2.593 3.866 -10.321 1.00 0.00 C ATOM 206 O PHE A 32 -3.250 2.845 -10.350 1.00 0.00 O ATOM 207 CB PHE A 32 -2.413 5.519 -8.428 1.00 0.00 C ATOM 208 CG PHE A 32 -3.357 5.104 -7.320 1.00 0.00 C ATOM 209 CD1 PHE A 32 -2.853 4.776 -6.055 1.00 0.00 C ATOM 210 CD2 PHE A 32 -4.735 5.049 -7.559 1.00 0.00 C ATOM 211 CE1 PHE A 32 -3.726 4.392 -5.031 1.00 0.00 C ATOM 212 CE2 PHE A 32 -5.609 4.665 -6.535 1.00 0.00 C ATOM 213 CZ PHE A 32 -5.104 4.337 -5.271 1.00 0.00 C ATOM 0 H PHE A 32 -0.089 5.538 -9.308 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.792 3.459 -8.375 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.625 6.155 -8.024 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.950 6.109 -9.170 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.790 4.819 -5.870 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.124 5.303 -8.534 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.337 4.138 -4.056 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.672 4.622 -6.720 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.778 4.041 -4.481 1.00 0.00 H new ATOM 223 N ALA A 33 -2.525 4.662 -11.331 1.00 0.00 N ATOM 224 CA ALA A 33 -3.262 4.345 -12.585 1.00 0.00 C ATOM 225 C ALA A 33 -2.753 3.015 -13.139 1.00 0.00 C ATOM 226 O ALA A 33 -3.430 2.348 -13.888 1.00 0.00 O ATOM 227 CB ALA A 33 -3.036 5.449 -13.619 1.00 0.00 C ATOM 0 H ALA A 33 -1.988 5.529 -11.352 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.328 4.275 -12.371 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.579 5.208 -14.533 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.396 6.398 -13.222 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.972 5.528 -13.840 1.00 0.00 H new ATOM 233 N LYS A 34 -1.563 2.616 -12.774 1.00 0.00 N ATOM 234 CA LYS A 34 -1.031 1.316 -13.279 1.00 0.00 C ATOM 235 C LYS A 34 -1.542 0.192 -12.376 1.00 0.00 C ATOM 236 O LYS A 34 -2.234 -0.704 -12.818 1.00 0.00 O ATOM 237 CB LYS A 34 0.505 1.346 -13.269 1.00 0.00 C ATOM 238 CG LYS A 34 1.073 -0.059 -13.517 1.00 0.00 C ATOM 239 CD LYS A 34 0.400 -0.689 -14.742 1.00 0.00 C ATOM 240 CE LYS A 34 1.237 -1.870 -15.240 1.00 0.00 C ATOM 241 NZ LYS A 34 2.508 -1.363 -15.832 1.00 0.00 N ATOM 0 H LYS A 34 -0.940 3.130 -12.152 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.369 1.146 -14.301 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.866 2.031 -14.036 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.861 1.724 -12.311 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.150 -0.002 -13.673 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.910 -0.686 -12.640 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.604 -1.026 -14.484 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.294 0.053 -15.533 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.453 -2.550 -14.416 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.678 -2.438 -15.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.877 -2.060 -16.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.328 -0.464 -16.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.207 -1.211 -15.077 1.00 0.00 H new ATOM 255 N PHE A 35 -1.217 0.233 -11.112 1.00 0.00 N ATOM 256 CA PHE A 35 -1.700 -0.836 -10.193 1.00 0.00 C ATOM 257 C PHE A 35 -3.213 -0.957 -10.327 1.00 0.00 C ATOM 258 O PHE A 35 -3.818 -1.894 -9.854 1.00 0.00 O ATOM 259 CB PHE A 35 -1.320 -0.493 -8.746 1.00 0.00 C ATOM 260 CG PHE A 35 0.127 -0.866 -8.497 1.00 0.00 C ATOM 261 CD1 PHE A 35 1.144 -0.243 -9.231 1.00 0.00 C ATOM 262 CD2 PHE A 35 0.452 -1.834 -7.536 1.00 0.00 C ATOM 263 CE1 PHE A 35 2.482 -0.587 -9.005 1.00 0.00 C ATOM 264 CE2 PHE A 35 1.790 -2.177 -7.311 1.00 0.00 C ATOM 265 CZ PHE A 35 2.805 -1.554 -8.045 1.00 0.00 C ATOM 0 H PHE A 35 -0.642 0.955 -10.679 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.235 -1.786 -10.456 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.468 0.571 -8.563 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.968 -1.029 -8.053 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.896 0.503 -9.972 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.331 -2.315 -6.969 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.266 -0.106 -9.571 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.039 -2.923 -6.571 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.838 -1.819 -7.871 1.00 0.00 H new ATOM 275 N GLU A 36 -3.825 -0.021 -10.978 1.00 0.00 N ATOM 276 CA GLU A 36 -5.296 -0.090 -11.157 1.00 0.00 C ATOM 277 C GLU A 36 -5.669 -1.467 -11.711 1.00 0.00 C ATOM 278 O GLU A 36 -6.580 -2.121 -11.258 1.00 0.00 O ATOM 279 CB GLU A 36 -5.740 1.053 -12.088 1.00 0.00 C ATOM 280 CG GLU A 36 -5.574 0.638 -13.539 1.00 0.00 C ATOM 281 CD GLU A 36 -5.899 1.819 -14.457 1.00 0.00 C ATOM 282 OE1 GLU A 36 -5.946 2.934 -13.961 1.00 0.00 O ATOM 283 OE2 GLU A 36 -6.096 1.589 -15.638 1.00 0.00 O ATOM 0 H GLU A 36 -3.372 0.792 -11.396 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.813 0.035 -10.205 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.781 1.309 -11.892 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.149 1.947 -11.887 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.553 0.299 -13.715 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.232 -0.201 -13.764 1.00 0.00 H new ATOM 290 N GLU A 37 -4.957 -1.897 -12.688 1.00 0.00 N ATOM 291 CA GLU A 37 -5.240 -3.223 -13.303 1.00 0.00 C ATOM 292 C GLU A 37 -5.440 -4.283 -12.214 1.00 0.00 C ATOM 293 O GLU A 37 -6.164 -5.241 -12.398 1.00 0.00 O ATOM 294 CB GLU A 37 -4.061 -3.627 -14.192 1.00 0.00 C ATOM 295 CG GLU A 37 -4.448 -4.845 -15.033 1.00 0.00 C ATOM 296 CD GLU A 37 -3.274 -5.238 -15.932 1.00 0.00 C ATOM 297 OE1 GLU A 37 -2.734 -4.360 -16.584 1.00 0.00 O ATOM 298 OE2 GLU A 37 -2.935 -6.410 -15.952 1.00 0.00 O ATOM 0 H GLU A 37 -4.176 -1.388 -13.102 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.150 -3.152 -13.898 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.781 -2.798 -14.842 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.191 -3.858 -13.577 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.717 -5.678 -14.384 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.324 -4.618 -15.640 1.00 0.00 H new ATOM 305 N GLU A 38 -4.790 -4.136 -11.089 1.00 0.00 N ATOM 306 CA GLU A 38 -4.923 -5.138 -10.011 1.00 0.00 C ATOM 307 C GLU A 38 -6.156 -4.850 -9.134 1.00 0.00 C ATOM 308 O GLU A 38 -7.035 -5.677 -8.997 1.00 0.00 O ATOM 309 CB GLU A 38 -3.651 -5.052 -9.158 1.00 0.00 C ATOM 310 CG GLU A 38 -2.527 -5.870 -9.805 1.00 0.00 C ATOM 311 CD GLU A 38 -1.212 -5.598 -9.073 1.00 0.00 C ATOM 312 OE1 GLU A 38 -0.607 -4.574 -9.343 1.00 0.00 O ATOM 313 OE2 GLU A 38 -0.830 -6.418 -8.255 1.00 0.00 O ATOM 0 H GLU A 38 -4.169 -3.355 -10.877 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.051 -6.132 -10.439 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.342 -4.012 -9.056 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.851 -5.425 -8.154 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.766 -6.933 -9.763 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.431 -5.606 -10.858 1.00 0.00 H new ATOM 320 N ARG A 39 -6.198 -3.696 -8.516 1.00 0.00 N ATOM 321 CA ARG A 39 -7.340 -3.338 -7.605 1.00 0.00 C ATOM 322 C ARG A 39 -8.194 -2.217 -8.181 1.00 0.00 C ATOM 323 O ARG A 39 -8.982 -1.664 -7.460 1.00 0.00 O ATOM 324 CB ARG A 39 -6.810 -2.936 -6.224 1.00 0.00 C ATOM 325 CG ARG A 39 -5.436 -2.264 -6.370 1.00 0.00 C ATOM 326 CD ARG A 39 -5.264 -1.236 -5.259 1.00 0.00 C ATOM 327 NE ARG A 39 -5.962 -1.711 -4.019 1.00 0.00 N ATOM 328 CZ ARG A 39 -5.672 -1.164 -2.869 1.00 0.00 C ATOM 329 NH1 ARG A 39 -4.774 -0.219 -2.806 1.00 0.00 N ATOM 330 NH2 ARG A 39 -6.275 -1.559 -1.781 1.00 0.00 N ATOM 0 H ARG A 39 -5.482 -2.974 -8.602 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.972 -4.221 -7.509 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.509 -2.254 -5.740 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.729 -3.815 -5.585 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.644 -3.011 -6.317 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.355 -1.782 -7.344 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.205 -1.081 -5.055 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.672 -0.275 -5.573 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.657 -2.455 -4.074 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.300 0.091 -3.654 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.546 0.209 -1.909 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.976 -2.298 -1.826 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.045 -1.129 -0.885 1.00 0.00 H new ATOM 344 N ALA A 40 -8.035 -1.868 -9.437 1.00 0.00 N ATOM 345 CA ALA A 40 -8.853 -0.761 -10.121 1.00 0.00 C ATOM 346 C ALA A 40 -10.271 -0.587 -9.534 1.00 0.00 C ATOM 347 O ALA A 40 -11.140 0.017 -10.123 1.00 0.00 O ATOM 348 CB ALA A 40 -8.949 -1.058 -11.631 1.00 0.00 C ATOM 0 H ALA A 40 -7.353 -2.309 -10.053 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.328 0.177 -9.940 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.529 -0.275 -12.120 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.947 -1.090 -12.060 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.439 -2.020 -11.782 1.00 0.00 H new ATOM 354 N ARG A 41 -10.484 -1.124 -8.408 1.00 0.00 N ATOM 355 CA ARG A 41 -11.747 -1.062 -7.698 1.00 0.00 C ATOM 356 C ARG A 41 -11.678 0.092 -6.699 1.00 0.00 C ATOM 357 O ARG A 41 -12.673 0.561 -6.202 1.00 0.00 O ATOM 358 CB ARG A 41 -11.809 -2.370 -6.953 1.00 0.00 C ATOM 359 CG ARG A 41 -11.802 -3.568 -7.963 1.00 0.00 C ATOM 360 CD ARG A 41 -10.814 -4.692 -7.536 1.00 0.00 C ATOM 361 NE ARG A 41 -9.957 -5.093 -8.703 1.00 0.00 N ATOM 362 CZ ARG A 41 -10.476 -5.344 -9.878 1.00 0.00 C ATOM 363 NH1 ARG A 41 -11.770 -5.327 -10.046 1.00 0.00 N ATOM 364 NH2 ARG A 41 -9.697 -5.638 -10.882 1.00 0.00 N ATOM 0 H ARG A 41 -9.768 -1.651 -7.907 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.609 -0.909 -8.347 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.960 -2.451 -6.275 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.710 -2.406 -6.341 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.808 -3.981 -8.041 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.529 -3.204 -8.954 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.186 -4.344 -6.716 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.369 -5.555 -7.168 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.948 -5.171 -8.577 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.384 -5.117 -9.259 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.168 -5.524 -10.965 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.686 -5.672 -10.750 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.099 -5.834 -11.799 1.00 0.00 H new ATOM 378 N ALA A 42 -10.485 0.541 -6.398 1.00 0.00 N ATOM 379 CA ALA A 42 -10.318 1.647 -5.401 1.00 0.00 C ATOM 380 C ALA A 42 -10.944 2.930 -5.901 1.00 0.00 C ATOM 381 O ALA A 42 -10.873 3.968 -5.274 1.00 0.00 O ATOM 382 CB ALA A 42 -8.833 1.868 -5.105 1.00 0.00 C ATOM 0 H ALA A 42 -9.616 0.189 -6.800 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.827 1.356 -4.482 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.723 2.674 -4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.403 0.953 -4.699 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.314 2.135 -6.026 1.00 0.00 H new ATOM 388 N LYS A 43 -11.556 2.846 -7.020 1.00 0.00 N ATOM 389 CA LYS A 43 -12.225 4.027 -7.637 1.00 0.00 C ATOM 390 C LYS A 43 -13.717 3.847 -7.569 1.00 0.00 C ATOM 391 O LYS A 43 -14.473 4.794 -7.653 1.00 0.00 O ATOM 392 CB LYS A 43 -11.779 4.187 -9.091 1.00 0.00 C ATOM 393 CG LYS A 43 -11.533 2.816 -9.788 1.00 0.00 C ATOM 394 CD LYS A 43 -10.103 2.753 -10.371 1.00 0.00 C ATOM 395 CE LYS A 43 -9.865 3.928 -11.346 1.00 0.00 C ATOM 396 NZ LYS A 43 -11.169 4.437 -11.859 1.00 0.00 N ATOM 0 H LYS A 43 -11.632 1.987 -7.564 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.945 4.927 -7.089 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.538 4.741 -9.643 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.864 4.779 -9.125 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.676 2.007 -9.072 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.263 2.670 -10.584 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.372 2.789 -9.563 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.957 1.806 -10.891 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.327 4.729 -10.839 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.241 3.601 -12.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.033 4.852 -12.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.848 3.652 -11.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.537 5.163 -11.212 1.00 0.00 H new ATOM 410 N TRP A 44 -14.146 2.650 -7.381 1.00 0.00 N ATOM 411 CA TRP A 44 -15.612 2.410 -7.261 1.00 0.00 C ATOM 412 C TRP A 44 -15.857 1.235 -6.322 1.00 0.00 C ATOM 413 O TRP A 44 -16.894 0.603 -6.343 1.00 0.00 O ATOM 414 CB TRP A 44 -16.240 2.144 -8.625 1.00 0.00 C ATOM 415 CG TRP A 44 -15.327 1.312 -9.402 1.00 0.00 C ATOM 416 CD1 TRP A 44 -14.468 1.813 -10.262 1.00 0.00 C ATOM 417 CD2 TRP A 44 -15.160 -0.128 -9.418 1.00 0.00 C ATOM 418 NE1 TRP A 44 -13.718 0.794 -10.792 1.00 0.00 N ATOM 419 CE2 TRP A 44 -14.112 -0.431 -10.306 1.00 0.00 C ATOM 420 CE3 TRP A 44 -15.791 -1.184 -8.747 1.00 0.00 C ATOM 421 CZ2 TRP A 44 -13.692 -1.738 -10.520 1.00 0.00 C ATOM 422 CZ3 TRP A 44 -15.380 -2.511 -8.968 1.00 0.00 C ATOM 423 CH2 TRP A 44 -14.326 -2.786 -9.849 1.00 0.00 C ATOM 0 H TRP A 44 -13.557 1.821 -7.304 1.00 0.00 H new ATOM 0 HA TRP A 44 -16.081 3.305 -6.852 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -17.201 1.644 -8.508 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -16.430 3.084 -9.144 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -14.369 2.859 -10.511 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -12.962 0.928 -11.463 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -16.596 -0.978 -8.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -12.880 -1.942 -11.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -15.879 -3.321 -8.457 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -14.005 -3.805 -10.009 1.00 0.00 H new ATOM 434 N ASP A 45 -14.886 0.931 -5.513 1.00 0.00 N ATOM 435 CA ASP A 45 -15.022 -0.223 -4.572 1.00 0.00 C ATOM 436 C ASP A 45 -13.830 -0.304 -3.642 1.00 0.00 C ATOM 437 O ASP A 45 -13.941 -0.141 -2.446 1.00 0.00 O ATOM 438 CB ASP A 45 -15.082 -1.519 -5.398 1.00 0.00 C ATOM 439 CG ASP A 45 -16.528 -2.062 -5.454 1.00 0.00 C ATOM 440 OD1 ASP A 45 -17.231 -1.933 -4.465 1.00 0.00 O ATOM 441 OD2 ASP A 45 -16.898 -2.609 -6.477 1.00 0.00 O ATOM 0 H ASP A 45 -13.998 1.431 -5.459 1.00 0.00 H new ATOM 0 HA ASP A 45 -15.926 -0.089 -3.977 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -14.719 -1.330 -6.408 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -14.423 -2.268 -4.958 1.00 0.00 H new ATOM 446 N THR A 46 -12.725 -0.638 -4.208 1.00 0.00 N ATOM 447 CA THR A 46 -11.476 -0.844 -3.441 1.00 0.00 C ATOM 448 C THR A 46 -11.541 -2.238 -2.910 1.00 0.00 C ATOM 449 O THR A 46 -10.584 -2.961 -2.935 1.00 0.00 O ATOM 450 CB THR A 46 -11.302 0.224 -2.325 1.00 0.00 C ATOM 451 OG1 THR A 46 -9.981 0.739 -2.400 1.00 0.00 O ATOM 452 CG2 THR A 46 -11.523 -0.349 -0.912 1.00 0.00 C ATOM 0 H THR A 46 -12.626 -0.784 -5.213 1.00 0.00 H new ATOM 0 HA THR A 46 -10.595 -0.722 -4.072 1.00 0.00 H new ATOM 0 HB THR A 46 -12.052 0.998 -2.488 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.015 1.704 -2.566 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.389 0.442 -0.174 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.534 -0.749 -0.836 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.803 -1.146 -0.726 1.00 0.00 H new ATOM 460 N ALA A 47 -12.688 -2.624 -2.467 1.00 0.00 N ATOM 461 CA ALA A 47 -12.870 -4.013 -1.952 1.00 0.00 C ATOM 462 C ALA A 47 -13.697 -4.827 -2.927 1.00 0.00 C ATOM 463 O ALA A 47 -13.413 -5.982 -3.173 1.00 0.00 O ATOM 464 CB ALA A 47 -13.560 -3.978 -0.587 1.00 0.00 C ATOM 0 H ALA A 47 -13.523 -2.039 -2.434 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.891 -4.479 -1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.689 -4.996 -0.218 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.948 -3.412 0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.535 -3.501 -0.684 1.00 0.00 H new ATOM 470 N ASN A 48 -14.721 -4.236 -3.472 1.00 0.00 N ATOM 471 CA ASN A 48 -15.610 -4.974 -4.438 1.00 0.00 C ATOM 472 C ASN A 48 -15.774 -6.426 -3.965 1.00 0.00 C ATOM 473 O ASN A 48 -16.578 -6.751 -3.113 1.00 0.00 O ATOM 474 CB ASN A 48 -14.973 -4.976 -5.842 1.00 0.00 C ATOM 475 CG ASN A 48 -13.508 -5.415 -5.756 1.00 0.00 C ATOM 476 OD1 ASN A 48 -13.190 -6.545 -6.074 1.00 0.00 O ATOM 477 ND2 ASN A 48 -12.596 -4.586 -5.336 1.00 0.00 N ATOM 0 H ASN A 48 -14.990 -3.268 -3.295 1.00 0.00 H new ATOM 0 HA ASN A 48 -16.581 -4.480 -4.480 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.524 -5.649 -6.499 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.037 -3.980 -6.280 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.623 -4.886 -5.276 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.855 -3.637 -5.067 1.00 0.00 H new ATOM 484 N ASN A 49 -14.968 -7.268 -4.519 1.00 0.00 N ATOM 485 CA ASN A 49 -14.916 -8.689 -4.205 1.00 0.00 C ATOM 486 C ASN A 49 -13.537 -8.866 -3.557 1.00 0.00 C ATOM 487 O ASN A 49 -12.651 -8.105 -3.887 1.00 0.00 O ATOM 488 CB ASN A 49 -14.975 -9.377 -5.561 1.00 0.00 C ATOM 489 CG ASN A 49 -14.572 -10.828 -5.450 1.00 0.00 C ATOM 490 OD1 ASN A 49 -15.391 -11.720 -5.546 1.00 0.00 O ATOM 491 ND2 ASN A 49 -13.330 -11.099 -5.250 1.00 0.00 N ATOM 0 H ASN A 49 -14.294 -6.992 -5.233 1.00 0.00 H new ATOM 0 HA ASN A 49 -15.700 -9.077 -3.555 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.985 -9.306 -5.965 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.315 -8.865 -6.261 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -13.026 -12.069 -5.171 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -12.649 -10.343 -5.171 1.00 0.00 H new ATOM 498 N PRO A 50 -13.353 -9.802 -2.653 1.00 0.00 N ATOM 499 CA PRO A 50 -12.030 -9.973 -2.007 1.00 0.00 C ATOM 500 C PRO A 50 -10.884 -9.913 -3.024 1.00 0.00 C ATOM 501 O PRO A 50 -9.726 -9.838 -2.671 1.00 0.00 O ATOM 502 CB PRO A 50 -12.123 -11.319 -1.266 1.00 0.00 C ATOM 503 CG PRO A 50 -13.627 -11.741 -1.275 1.00 0.00 C ATOM 504 CD PRO A 50 -14.393 -10.741 -2.182 1.00 0.00 C ATOM 0 HA PRO A 50 -11.799 -9.165 -1.313 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.508 -12.073 -1.757 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -11.755 -11.223 -0.244 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.736 -12.759 -1.650 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -14.034 -11.729 -0.264 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.876 -11.250 -3.016 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -15.176 -10.222 -1.629 1.00 0.00 H new ATOM 512 N LEU A 51 -11.225 -9.870 -4.262 1.00 0.00 N ATOM 513 CA LEU A 51 -10.249 -9.722 -5.365 1.00 0.00 C ATOM 514 C LEU A 51 -9.143 -8.763 -4.963 1.00 0.00 C ATOM 515 O LEU A 51 -7.961 -9.036 -5.018 1.00 0.00 O ATOM 516 CB LEU A 51 -11.043 -9.059 -6.480 1.00 0.00 C ATOM 517 CG LEU A 51 -10.392 -9.262 -7.866 1.00 0.00 C ATOM 518 CD1 LEU A 51 -8.884 -8.994 -7.814 1.00 0.00 C ATOM 519 CD2 LEU A 51 -10.634 -10.695 -8.366 1.00 0.00 C ATOM 0 H LEU A 51 -12.193 -9.935 -4.577 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.802 -10.678 -5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.054 -9.465 -6.493 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.131 -7.992 -6.275 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.852 -8.552 -8.553 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.453 -9.145 -8.804 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.708 -7.967 -7.494 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.417 -9.679 -7.107 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.169 -10.823 -9.344 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.199 -11.404 -7.662 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.706 -10.876 -8.447 1.00 0.00 H new ATOM 531 N TYR A 52 -9.590 -7.622 -4.588 1.00 0.00 N ATOM 532 CA TYR A 52 -8.718 -6.517 -4.176 1.00 0.00 C ATOM 533 C TYR A 52 -7.814 -7.071 -3.087 1.00 0.00 C ATOM 534 O TYR A 52 -6.639 -6.774 -3.002 1.00 0.00 O ATOM 535 CB TYR A 52 -9.625 -5.367 -3.678 1.00 0.00 C ATOM 536 CG TYR A 52 -9.333 -5.068 -2.213 1.00 0.00 C ATOM 537 CD1 TYR A 52 -9.876 -5.885 -1.210 1.00 0.00 C ATOM 538 CD2 TYR A 52 -8.505 -3.995 -1.866 1.00 0.00 C ATOM 539 CE1 TYR A 52 -9.593 -5.623 0.136 1.00 0.00 C ATOM 540 CE2 TYR A 52 -8.225 -3.732 -0.519 1.00 0.00 C ATOM 541 CZ TYR A 52 -8.770 -4.545 0.481 1.00 0.00 C ATOM 542 OH TYR A 52 -8.492 -4.288 1.807 1.00 0.00 O ATOM 0 H TYR A 52 -10.584 -7.397 -4.548 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.097 -6.120 -4.979 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -9.457 -4.474 -4.280 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -10.673 -5.641 -3.800 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -10.512 -6.716 -1.476 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -8.081 -3.369 -2.637 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.010 -6.253 0.908 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.588 -2.901 -0.252 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.905 -3.506 1.873 1.00 0.00 H new ATOM 552 N LYS A 53 -8.380 -7.917 -2.279 1.00 0.00 N ATOM 553 CA LYS A 53 -7.597 -8.560 -1.207 1.00 0.00 C ATOM 554 C LYS A 53 -6.796 -9.672 -1.854 1.00 0.00 C ATOM 555 O LYS A 53 -5.785 -10.111 -1.343 1.00 0.00 O ATOM 556 CB LYS A 53 -8.538 -9.129 -0.132 1.00 0.00 C ATOM 557 CG LYS A 53 -7.768 -9.343 1.187 1.00 0.00 C ATOM 558 CD LYS A 53 -7.726 -8.035 2.005 1.00 0.00 C ATOM 559 CE LYS A 53 -8.990 -7.908 2.865 1.00 0.00 C ATOM 560 NZ LYS A 53 -8.848 -8.756 4.082 1.00 0.00 N ATOM 0 H LYS A 53 -9.362 -8.190 -2.320 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.937 -7.843 -0.719 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.372 -8.446 0.031 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.962 -10.074 -0.472 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.246 -10.129 1.771 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.753 -9.678 0.973 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.841 -8.024 2.642 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.646 -7.180 1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.146 -6.868 3.150 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.865 -8.217 2.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.789 -9.059 4.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.274 -9.593 3.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.382 -8.209 4.834 1.00 0.00 H new ATOM 574 N GLU A 54 -7.235 -10.115 -3.003 1.00 0.00 N ATOM 575 CA GLU A 54 -6.470 -11.196 -3.709 1.00 0.00 C ATOM 576 C GLU A 54 -5.357 -10.555 -4.520 1.00 0.00 C ATOM 577 O GLU A 54 -4.328 -11.148 -4.775 1.00 0.00 O ATOM 578 CB GLU A 54 -7.370 -11.999 -4.651 1.00 0.00 C ATOM 579 CG GLU A 54 -8.547 -12.604 -3.875 1.00 0.00 C ATOM 580 CD GLU A 54 -9.133 -13.784 -4.658 1.00 0.00 C ATOM 581 OE1 GLU A 54 -8.755 -13.954 -5.806 1.00 0.00 O ATOM 582 OE2 GLU A 54 -9.948 -14.497 -4.095 1.00 0.00 O ATOM 0 H GLU A 54 -8.074 -9.785 -3.480 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.067 -11.877 -2.960 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.743 -11.354 -5.446 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.794 -12.792 -5.128 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.214 -12.937 -2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.314 -11.847 -3.712 1.00 0.00 H new ATOM 589 N ALA A 55 -5.562 -9.342 -4.919 1.00 0.00 N ATOM 590 CA ALA A 55 -4.522 -8.633 -5.713 1.00 0.00 C ATOM 591 C ALA A 55 -3.199 -8.704 -4.954 1.00 0.00 C ATOM 592 O ALA A 55 -2.136 -8.751 -5.540 1.00 0.00 O ATOM 593 CB ALA A 55 -4.934 -7.170 -5.908 1.00 0.00 C ATOM 0 H ALA A 55 -6.407 -8.803 -4.732 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.412 -9.101 -6.691 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.172 -6.652 -6.490 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.886 -7.128 -6.438 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.038 -6.689 -4.936 1.00 0.00 H new ATOM 599 N THR A 56 -3.260 -8.732 -3.652 1.00 0.00 N ATOM 600 CA THR A 56 -2.019 -8.822 -2.852 1.00 0.00 C ATOM 601 C THR A 56 -1.555 -10.271 -2.881 1.00 0.00 C ATOM 602 O THR A 56 -0.378 -10.572 -2.877 1.00 0.00 O ATOM 603 CB THR A 56 -2.329 -8.380 -1.414 1.00 0.00 C ATOM 604 OG1 THR A 56 -3.727 -8.497 -1.183 1.00 0.00 O ATOM 605 CG2 THR A 56 -1.903 -6.922 -1.194 1.00 0.00 C ATOM 0 H THR A 56 -4.123 -8.696 -3.110 1.00 0.00 H new ATOM 0 HA THR A 56 -1.235 -8.179 -3.253 1.00 0.00 H new ATOM 0 HB THR A 56 -1.776 -9.016 -0.723 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.009 -9.421 -1.347 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.131 -6.627 -0.170 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.832 -6.825 -1.370 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.444 -6.277 -1.886 1.00 0.00 H new ATOM 613 N SER A 57 -2.490 -11.158 -2.929 1.00 0.00 N ATOM 614 CA SER A 57 -2.156 -12.603 -2.982 1.00 0.00 C ATOM 615 C SER A 57 -1.454 -12.880 -4.308 1.00 0.00 C ATOM 616 O SER A 57 -0.718 -13.835 -4.451 1.00 0.00 O ATOM 617 CB SER A 57 -3.437 -13.433 -2.894 1.00 0.00 C ATOM 618 OG SER A 57 -4.036 -13.508 -4.181 1.00 0.00 O ATOM 0 H SER A 57 -3.488 -10.947 -2.934 1.00 0.00 H new ATOM 0 HA SER A 57 -1.508 -12.871 -2.148 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.211 -14.434 -2.526 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.129 -12.981 -2.184 1.00 0.00 H new ATOM 0 HG SER A 57 -4.054 -12.616 -4.586 1.00 0.00 H new ATOM 624 N THR A 58 -1.671 -12.032 -5.277 1.00 0.00 N ATOM 625 CA THR A 58 -1.019 -12.218 -6.590 1.00 0.00 C ATOM 626 C THR A 58 0.483 -12.315 -6.357 1.00 0.00 C ATOM 627 O THR A 58 1.237 -12.759 -7.200 1.00 0.00 O ATOM 628 CB THR A 58 -1.324 -11.018 -7.490 1.00 0.00 C ATOM 629 OG1 THR A 58 -2.716 -10.738 -7.449 1.00 0.00 O ATOM 630 CG2 THR A 58 -0.907 -11.335 -8.927 1.00 0.00 C ATOM 0 H THR A 58 -2.278 -11.215 -5.208 1.00 0.00 H new ATOM 0 HA THR A 58 -1.388 -13.122 -7.074 1.00 0.00 H new ATOM 0 HB THR A 58 -0.768 -10.149 -7.137 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.912 -9.969 -8.024 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.125 -10.479 -9.566 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.162 -11.548 -8.957 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.460 -12.204 -9.283 1.00 0.00 H new ATOM 638 N PHE A 59 0.910 -11.892 -5.202 1.00 0.00 N ATOM 639 CA PHE A 59 2.354 -11.934 -4.860 1.00 0.00 C ATOM 640 C PHE A 59 2.725 -13.336 -4.421 1.00 0.00 C ATOM 641 O PHE A 59 3.699 -13.921 -4.853 1.00 0.00 O ATOM 642 CB PHE A 59 2.584 -10.971 -3.699 1.00 0.00 C ATOM 643 CG PHE A 59 4.056 -10.659 -3.568 1.00 0.00 C ATOM 644 CD1 PHE A 59 4.892 -11.522 -2.851 1.00 0.00 C ATOM 645 CD2 PHE A 59 4.583 -9.507 -4.164 1.00 0.00 C ATOM 646 CE1 PHE A 59 6.256 -11.233 -2.728 1.00 0.00 C ATOM 647 CE2 PHE A 59 5.947 -9.218 -4.042 1.00 0.00 C ATOM 648 CZ PHE A 59 6.784 -10.081 -3.325 1.00 0.00 C ATOM 0 H PHE A 59 0.309 -11.513 -4.470 1.00 0.00 H new ATOM 0 HA PHE A 59 2.960 -11.655 -5.722 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.022 -10.051 -3.862 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.214 -11.410 -2.773 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.485 -12.411 -2.393 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.937 -8.842 -4.718 1.00 0.00 H new ATOM 0 HE1 PHE A 59 6.901 -11.898 -2.173 1.00 0.00 H new ATOM 0 HE2 PHE A 59 6.354 -8.329 -4.501 1.00 0.00 H new ATOM 0 HZ PHE A 59 7.837 -9.859 -3.232 1.00 0.00 H new ATOM 658 N THR A 60 1.938 -13.853 -3.550 1.00 0.00 N ATOM 659 CA THR A 60 2.174 -15.223 -3.011 1.00 0.00 C ATOM 660 C THR A 60 1.569 -16.248 -3.972 1.00 0.00 C ATOM 661 O THR A 60 1.960 -17.394 -4.008 1.00 0.00 O ATOM 662 CB THR A 60 1.543 -15.301 -1.600 1.00 0.00 C ATOM 663 OG1 THR A 60 2.579 -15.316 -0.629 1.00 0.00 O ATOM 664 CG2 THR A 60 0.673 -16.552 -1.422 1.00 0.00 C ATOM 0 H THR A 60 1.116 -13.383 -3.170 1.00 0.00 H new ATOM 0 HA THR A 60 3.238 -15.443 -2.925 1.00 0.00 H new ATOM 0 HB THR A 60 0.902 -14.429 -1.474 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.186 -15.364 0.268 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.252 -16.562 -0.417 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.135 -16.540 -2.154 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.283 -17.443 -1.569 1.00 0.00 H new ATOM 672 N ASN A 61 0.619 -15.831 -4.739 1.00 0.00 N ATOM 673 CA ASN A 61 -0.031 -16.762 -5.706 1.00 0.00 C ATOM 674 C ASN A 61 1.020 -17.318 -6.664 1.00 0.00 C ATOM 675 O ASN A 61 0.753 -18.201 -7.456 1.00 0.00 O ATOM 676 CB ASN A 61 -1.082 -16.003 -6.508 1.00 0.00 C ATOM 677 CG ASN A 61 -1.916 -16.990 -7.327 1.00 0.00 C ATOM 678 OD1 ASN A 61 -2.898 -17.518 -6.846 1.00 0.00 O ATOM 679 ND2 ASN A 61 -1.565 -17.263 -8.554 1.00 0.00 N ATOM 0 H ASN A 61 0.255 -14.878 -4.745 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.500 -17.581 -5.160 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.727 -15.436 -5.836 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.599 -15.283 -7.169 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.115 -17.919 -9.108 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.740 -16.820 -8.959 1.00 0.00 H new ATOM 686 N ILE A 62 2.210 -16.796 -6.599 1.00 0.00 N ATOM 687 CA ILE A 62 3.307 -17.268 -7.503 1.00 0.00 C ATOM 688 C ILE A 62 4.192 -18.228 -6.719 1.00 0.00 C ATOM 689 O ILE A 62 4.983 -18.968 -7.271 1.00 0.00 O ATOM 690 CB ILE A 62 4.137 -16.054 -7.981 1.00 0.00 C ATOM 691 CG1 ILE A 62 3.252 -14.805 -7.985 1.00 0.00 C ATOM 692 CG2 ILE A 62 4.671 -16.299 -9.397 1.00 0.00 C ATOM 693 CD1 ILE A 62 4.047 -13.616 -8.529 1.00 0.00 C ATOM 0 H ILE A 62 2.478 -16.054 -5.953 1.00 0.00 H new ATOM 0 HA ILE A 62 2.892 -17.774 -8.375 1.00 0.00 H new ATOM 0 HB ILE A 62 4.979 -15.912 -7.303 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.367 -14.975 -8.599 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.903 -14.591 -6.975 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.253 -15.436 -9.721 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.305 -17.186 -9.398 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.835 -16.449 -10.080 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.416 -12.727 -8.532 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.918 -13.441 -7.897 1.00 0.00 H new ATOM 0 HD13 ILE A 62 4.374 -13.832 -9.546 1.00 0.00 H new ATOM 705 N THR A 63 4.045 -18.209 -5.428 1.00 0.00 N ATOM 706 CA THR A 63 4.847 -19.105 -4.537 1.00 0.00 C ATOM 707 C THR A 63 3.883 -20.030 -3.801 1.00 0.00 C ATOM 708 O THR A 63 4.263 -21.038 -3.240 1.00 0.00 O ATOM 709 CB THR A 63 5.654 -18.233 -3.568 1.00 0.00 C ATOM 710 OG1 THR A 63 6.972 -18.075 -4.074 1.00 0.00 O ATOM 711 CG2 THR A 63 5.726 -18.843 -2.159 1.00 0.00 C ATOM 0 H THR A 63 3.391 -17.600 -4.937 1.00 0.00 H new ATOM 0 HA THR A 63 5.548 -19.718 -5.104 1.00 0.00 H new ATOM 0 HB THR A 63 5.149 -17.270 -3.487 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.493 -17.517 -3.460 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.308 -18.189 -1.509 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.718 -18.951 -1.757 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.203 -19.822 -2.210 1.00 0.00 H new ATOM 719 N TYR A 64 2.635 -19.682 -3.809 1.00 0.00 N ATOM 720 CA TYR A 64 1.618 -20.521 -3.116 1.00 0.00 C ATOM 721 C TYR A 64 1.747 -21.977 -3.572 1.00 0.00 C ATOM 722 O TYR A 64 1.126 -22.867 -3.025 1.00 0.00 O ATOM 723 CB TYR A 64 0.202 -19.995 -3.416 1.00 0.00 C ATOM 724 CG TYR A 64 -0.279 -20.461 -4.792 1.00 0.00 C ATOM 725 CD1 TYR A 64 0.535 -20.327 -5.941 1.00 0.00 C ATOM 726 CD2 TYR A 64 -1.555 -21.034 -4.915 1.00 0.00 C ATOM 727 CE1 TYR A 64 0.063 -20.764 -7.185 1.00 0.00 C ATOM 728 CE2 TYR A 64 -2.016 -21.469 -6.162 1.00 0.00 C ATOM 729 CZ TYR A 64 -1.210 -21.333 -7.295 1.00 0.00 C ATOM 730 OH TYR A 64 -1.670 -21.761 -8.525 1.00 0.00 O ATOM 0 H TYR A 64 2.268 -18.848 -4.267 1.00 0.00 H new ATOM 0 HA TYR A 64 1.789 -20.469 -2.041 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.489 -20.344 -2.649 1.00 0.00 H new ATOM 0 HB3 TYR A 64 0.199 -18.906 -3.376 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.519 -19.889 -5.859 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -2.183 -21.139 -4.043 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.684 -20.661 -8.063 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.998 -21.911 -6.249 1.00 0.00 H new ATOM 0 HH TYR A 64 -2.572 -22.132 -8.426 1.00 0.00 H new ATOM 740 N ARG A 65 2.545 -22.225 -4.567 1.00 0.00 N ATOM 741 CA ARG A 65 2.709 -23.623 -5.056 1.00 0.00 C ATOM 742 C ARG A 65 3.501 -24.423 -4.028 1.00 0.00 C ATOM 743 O ARG A 65 3.603 -25.632 -4.103 1.00 0.00 O ATOM 744 CB ARG A 65 3.464 -23.623 -6.387 1.00 0.00 C ATOM 745 CG ARG A 65 2.732 -22.739 -7.398 1.00 0.00 C ATOM 746 CD ARG A 65 3.662 -22.435 -8.573 1.00 0.00 C ATOM 747 NE ARG A 65 3.986 -23.700 -9.289 1.00 0.00 N ATOM 748 CZ ARG A 65 4.518 -23.659 -10.480 1.00 0.00 C ATOM 749 NH1 ARG A 65 4.766 -22.510 -11.045 1.00 0.00 N ATOM 750 NH2 ARG A 65 4.800 -24.769 -11.107 1.00 0.00 N ATOM 0 H ARG A 65 3.092 -21.523 -5.065 1.00 0.00 H new ATOM 0 HA ARG A 65 1.727 -24.073 -5.200 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.480 -23.257 -6.239 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.544 -24.640 -6.770 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.832 -23.241 -7.753 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.413 -21.811 -6.923 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.186 -21.730 -9.255 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.577 -21.963 -8.214 1.00 0.00 H new ATOM 0 HE ARG A 65 3.792 -24.599 -8.848 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.544 -21.643 -10.556 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.182 -22.479 -11.976 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.604 -25.668 -10.666 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.216 -24.737 -12.038 1.00 0.00 H new ATOM 764 N GLY A 66 4.063 -23.752 -3.067 1.00 0.00 N ATOM 765 CA GLY A 66 4.857 -24.458 -2.021 1.00 0.00 C ATOM 766 C GLY A 66 6.261 -24.747 -2.555 1.00 0.00 C ATOM 767 O GLY A 66 6.867 -25.747 -2.226 1.00 0.00 O ATOM 0 H GLY A 66 4.008 -22.739 -2.958 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.917 -23.847 -1.121 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.364 -25.389 -1.741 1.00 0.00 H new ATOM 771 N THR A 67 6.783 -23.879 -3.379 1.00 0.00 N ATOM 772 CA THR A 67 8.147 -24.104 -3.934 1.00 0.00 C ATOM 773 C THR A 67 8.241 -25.524 -4.494 1.00 0.00 C ATOM 774 O THR A 67 8.933 -26.332 -3.895 1.00 0.00 O ATOM 775 CB THR A 67 9.187 -23.922 -2.825 1.00 0.00 C ATOM 776 OG1 THR A 67 8.941 -22.699 -2.144 1.00 0.00 O ATOM 777 CG2 THR A 67 10.588 -23.895 -3.437 1.00 0.00 C ATOM 778 OXT THR A 67 7.621 -25.781 -5.513 1.00 0.00 O ATOM 0 H THR A 67 6.323 -23.024 -3.691 1.00 0.00 H new ATOM 0 HA THR A 67 8.338 -23.385 -4.731 1.00 0.00 H new ATOM 0 HB THR A 67 9.117 -24.751 -2.121 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.605 -22.581 -1.433 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.328 -23.765 -2.647 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.775 -24.833 -3.959 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.661 -23.067 -4.142 1.00 0.00 H new TER 786 THR A 67