USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 960 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 106 THR OG1 : rot 180:sc= -0.598 USER MOD Set 1.2: A 115 THR OG1 : rot -120:sc= -5.37! USER MOD Set 2.1: A 49 ASN : amide:sc= -1.71 K(o=-9,f=-5.9!) USER MOD Set 2.2: A 53 GLN : amide:sc= -4.91! C(o=-9!,f=-4.7!) USER MOD Set 2.3: A 65 MET CE :methyl -154:sc= -2.38 (180deg=-3.03!) USER MOD Set 3.1: A 44 TYR OH : rot 30:sc= 0.861 USER MOD Set 3.2: A 114 CYS SG : rot 107:sc= 0.136 USER MOD Single : A 1 GLY N :NH3+ -166:sc= -1.83! (180deg=-2.1!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -2.34! USER MOD Single : A 5 THR OG1 : rot 57:sc= 1.15 USER MOD Single : A 10 THR OG1 : rot -100:sc= -0.177 USER MOD Single : A 15 GLN : amide:sc= -0.24 K(o=-0.24,f=-2.8!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot 30:sc= -4.74 USER MOD Single : A 28 SER OG : rot 180:sc= -1.77 USER MOD Single : A 30 MET CE :methyl -144:sc= -0.0556 (180deg=-1.97) USER MOD Single : A 31 ASN : amide:sc= -0.701 K(o=-0.7,f=-3!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -3.76! C(o=-3.8!,f=-4.5!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 130:sc= -2.13 USER MOD Single : A 61 SER OG : rot 170:sc= -0.491 USER MOD Single : A 67 LYS NZ :NH3+ 163:sc= -0.311 (180deg=-0.691!) USER MOD Single : A 75 GLN : amide:sc= -2.54 K(o=-2.5,f=-1.1) USER MOD Single : A 78 THR OG1 : rot 83:sc= 0.0101 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HE2:sc= -6.57 X(o=-6.6,f=-6.6!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.258 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 117 CYS SG : rot -150:sc= -1.55 USER MOD Single : A 121 LYS NZ :NH3+ 150:sc= 0.0325 (180deg=-0.0411) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.670 15.640 5.809 1.00 0.00 N ATOM 2 CA GLY A 1 -5.064 16.075 6.093 1.00 0.00 C ATOM 3 C GLY A 1 -5.794 15.120 7.018 1.00 0.00 C ATOM 4 O GLY A 1 -6.029 15.434 8.185 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.142 16.426 5.378 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.207 15.358 6.696 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.685 14.832 5.154 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.047 17.068 6.542 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.613 16.158 5.155 1.00 0.00 H new ATOM 10 N LEU A 2 -6.154 13.952 6.495 1.00 0.00 N ATOM 11 CA LEU A 2 -6.861 12.948 7.282 1.00 0.00 C ATOM 12 C LEU A 2 -8.207 13.480 7.762 1.00 0.00 C ATOM 13 O LEU A 2 -8.642 14.556 7.351 1.00 0.00 O ATOM 14 CB LEU A 2 -6.010 12.518 8.481 1.00 0.00 C ATOM 15 CG LEU A 2 -6.142 11.043 8.875 1.00 0.00 C ATOM 16 CD1 LEU A 2 -4.817 10.319 8.699 1.00 0.00 C ATOM 17 CD2 LEU A 2 -6.635 10.916 10.310 1.00 0.00 C ATOM 0 H LEU A 2 -5.968 13.678 5.530 1.00 0.00 H new ATOM 0 HA LEU A 2 -7.041 12.083 6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.964 12.726 8.258 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.281 13.133 9.339 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.875 10.577 8.216 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -4.933 9.273 8.984 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.506 10.378 7.656 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.061 10.786 9.330 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -6.723 9.862 10.573 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.926 11.400 10.982 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -7.609 11.396 10.404 1.00 0.00 H new ATOM 29 N THR A 3 -8.864 12.718 8.632 1.00 0.00 N ATOM 30 CA THR A 3 -10.164 13.111 9.166 1.00 0.00 C ATOM 31 C THR A 3 -10.124 14.530 9.723 1.00 0.00 C ATOM 32 O THR A 3 -11.141 15.225 9.750 1.00 0.00 O ATOM 33 CB THR A 3 -10.613 12.134 10.254 1.00 0.00 C ATOM 34 OG1 THR A 3 -9.618 11.154 10.497 1.00 0.00 O ATOM 35 CG2 THR A 3 -11.892 11.412 9.903 1.00 0.00 C ATOM 0 H THR A 3 -8.517 11.825 8.982 1.00 0.00 H new ATOM 0 HA THR A 3 -10.883 13.085 8.347 1.00 0.00 H new ATOM 0 HB THR A 3 -10.784 12.744 11.141 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.926 10.542 11.197 1.00 0.00 H new ATOM 0 HG21 THR A 3 -12.160 10.733 10.712 1.00 0.00 H new ATOM 0 HG22 THR A 3 -12.692 12.138 9.758 1.00 0.00 H new ATOM 0 HG23 THR A 3 -11.748 10.843 8.985 1.00 0.00 H new ATOM 43 N ALA A 4 -8.945 14.959 10.156 1.00 0.00 N ATOM 44 CA ALA A 4 -8.774 16.299 10.700 1.00 0.00 C ATOM 45 C ALA A 4 -8.489 17.297 9.583 1.00 0.00 C ATOM 46 O ALA A 4 -7.525 18.061 9.644 1.00 0.00 O ATOM 47 CB ALA A 4 -7.657 16.308 11.731 1.00 0.00 C ATOM 0 H ALA A 4 -8.093 14.398 10.141 1.00 0.00 H new ATOM 0 HA ALA A 4 -9.699 16.598 11.192 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -7.539 17.315 12.130 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.905 15.623 12.542 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.726 15.992 11.261 1.00 0.00 H new ATOM 53 N THR A 5 -9.336 17.274 8.558 1.00 0.00 N ATOM 54 CA THR A 5 -9.192 18.161 7.411 1.00 0.00 C ATOM 55 C THR A 5 -10.316 17.900 6.410 1.00 0.00 C ATOM 56 O THR A 5 -11.022 18.821 5.999 1.00 0.00 O ATOM 57 CB THR A 5 -7.814 17.956 6.759 1.00 0.00 C ATOM 58 OG1 THR A 5 -6.897 18.932 7.219 1.00 0.00 O ATOM 59 CG2 THR A 5 -7.825 18.022 5.244 1.00 0.00 C ATOM 0 H THR A 5 -10.136 16.644 8.500 1.00 0.00 H new ATOM 0 HA THR A 5 -9.261 19.197 7.742 1.00 0.00 H new ATOM 0 HB THR A 5 -7.517 16.949 7.050 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.844 18.896 8.197 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.814 17.867 4.866 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.482 17.246 4.851 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.186 19.000 4.925 1.00 0.00 H new ATOM 67 N LEU A 6 -10.475 16.635 6.033 1.00 0.00 N ATOM 68 CA LEU A 6 -11.513 16.234 5.089 1.00 0.00 C ATOM 69 C LEU A 6 -11.325 16.913 3.735 1.00 0.00 C ATOM 70 O LEU A 6 -11.020 18.103 3.660 1.00 0.00 O ATOM 71 CB LEU A 6 -12.897 16.570 5.651 1.00 0.00 C ATOM 72 CG LEU A 6 -13.408 15.613 6.728 1.00 0.00 C ATOM 73 CD1 LEU A 6 -14.576 16.230 7.481 1.00 0.00 C ATOM 74 CD2 LEU A 6 -13.812 14.283 6.110 1.00 0.00 C ATOM 0 H LEU A 6 -9.895 15.866 6.369 1.00 0.00 H new ATOM 0 HA LEU A 6 -11.433 15.157 4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -12.869 17.578 6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -13.613 16.583 4.829 1.00 0.00 H new ATOM 0 HG LEU A 6 -12.601 15.431 7.438 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -14.926 15.534 8.243 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -14.254 17.157 7.956 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -15.387 16.442 6.784 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -14.173 13.614 6.891 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -14.603 14.447 5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -12.950 13.834 5.618 1.00 0.00 H new ATOM 86 N ALA A 7 -11.515 16.145 2.665 1.00 0.00 N ATOM 87 CA ALA A 7 -11.373 16.667 1.310 1.00 0.00 C ATOM 88 C ALA A 7 -10.029 17.364 1.118 1.00 0.00 C ATOM 89 O ALA A 7 -9.939 18.379 0.428 1.00 0.00 O ATOM 90 CB ALA A 7 -12.514 17.623 0.994 1.00 0.00 C ATOM 0 H ALA A 7 -11.768 15.158 2.711 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.412 15.824 0.620 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -12.397 18.006 -0.020 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -13.464 17.095 1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -12.499 18.454 1.700 1.00 0.00 H new ATOM 96 N ALA A 8 -8.987 16.812 1.729 1.00 0.00 N ATOM 97 CA ALA A 8 -7.649 17.383 1.621 1.00 0.00 C ATOM 98 C ALA A 8 -6.621 16.510 2.330 1.00 0.00 C ATOM 99 O ALA A 8 -6.910 15.908 3.364 1.00 0.00 O ATOM 100 CB ALA A 8 -7.631 18.793 2.192 1.00 0.00 C ATOM 0 H ALA A 8 -9.042 15.971 2.304 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.383 17.426 0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.627 19.208 2.105 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -8.331 19.419 1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.922 18.764 3.242 1.00 0.00 H new ATOM 106 N LEU A 9 -5.418 16.447 1.769 1.00 0.00 N ATOM 107 CA LEU A 9 -4.345 15.647 2.348 1.00 0.00 C ATOM 108 C LEU A 9 -3.057 16.458 2.448 1.00 0.00 C ATOM 109 O LEU A 9 -2.932 17.521 1.841 1.00 0.00 O ATOM 110 CB LEU A 9 -4.106 14.390 1.510 1.00 0.00 C ATOM 111 CG LEU A 9 -5.317 13.466 1.366 1.00 0.00 C ATOM 112 CD1 LEU A 9 -4.986 12.290 0.461 1.00 0.00 C ATOM 113 CD2 LEU A 9 -5.779 12.978 2.730 1.00 0.00 C ATOM 0 H LEU A 9 -5.162 16.940 0.914 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.648 15.352 3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.779 14.692 0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.288 13.825 1.957 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.130 14.031 0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.859 11.644 0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.703 12.658 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.158 11.724 0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.641 12.322 2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.971 12.429 3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.057 13.832 3.347 1.00 0.00 H new ATOM 125 N THR A 10 -2.102 15.948 3.219 1.00 0.00 N ATOM 126 CA THR A 10 -0.823 16.624 3.399 1.00 0.00 C ATOM 127 C THR A 10 0.311 15.824 2.766 1.00 0.00 C ATOM 128 O THR A 10 0.084 14.764 2.181 1.00 0.00 O ATOM 129 CB THR A 10 -0.543 16.839 4.887 1.00 0.00 C ATOM 130 OG1 THR A 10 0.696 17.501 5.074 1.00 0.00 O ATOM 131 CG2 THR A 10 -0.497 15.549 5.679 1.00 0.00 C ATOM 0 H THR A 10 -2.190 15.069 3.729 1.00 0.00 H new ATOM 0 HA THR A 10 -0.879 17.593 2.902 1.00 0.00 H new ATOM 0 HB THR A 10 -1.373 17.443 5.253 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.384 16.846 5.314 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.295 15.772 6.727 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.455 15.037 5.596 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.292 14.908 5.285 1.00 0.00 H new ATOM 139 N ASP A 11 1.532 16.336 2.886 1.00 0.00 N ATOM 140 CA ASP A 11 2.701 15.667 2.325 1.00 0.00 C ATOM 141 C ASP A 11 2.849 14.261 2.894 1.00 0.00 C ATOM 142 O ASP A 11 3.246 13.333 2.187 1.00 0.00 O ATOM 143 CB ASP A 11 3.965 16.482 2.609 1.00 0.00 C ATOM 144 CG ASP A 11 4.943 16.453 1.451 1.00 0.00 C ATOM 145 OD1 ASP A 11 4.568 16.896 0.346 1.00 0.00 O ATOM 146 OD2 ASP A 11 6.085 15.986 1.650 1.00 0.00 O ATOM 0 H ASP A 11 1.738 17.212 3.367 1.00 0.00 H new ATOM 0 HA ASP A 11 2.562 15.589 1.247 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.688 17.515 2.822 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.452 16.092 3.503 1.00 0.00 H new ATOM 151 N ASP A 12 2.525 14.108 4.174 1.00 0.00 N ATOM 152 CA ASP A 12 2.621 12.813 4.837 1.00 0.00 C ATOM 153 C ASP A 12 1.716 11.789 4.159 1.00 0.00 C ATOM 154 O ASP A 12 2.114 10.645 3.937 1.00 0.00 O ATOM 155 CB ASP A 12 2.245 12.944 6.314 1.00 0.00 C ATOM 156 CG ASP A 12 3.423 13.355 7.176 1.00 0.00 C ATOM 157 OD1 ASP A 12 4.189 14.244 6.750 1.00 0.00 O ATOM 158 OD2 ASP A 12 3.580 12.785 8.277 1.00 0.00 O ATOM 0 H ASP A 12 2.194 14.865 4.772 1.00 0.00 H new ATOM 0 HA ASP A 12 3.652 12.468 4.761 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.447 13.679 6.419 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.851 11.993 6.672 1.00 0.00 H new ATOM 163 N ASP A 13 0.498 12.207 3.831 1.00 0.00 N ATOM 164 CA ASP A 13 -0.463 11.325 3.177 1.00 0.00 C ATOM 165 C ASP A 13 0.057 10.873 1.817 1.00 0.00 C ATOM 166 O ASP A 13 0.094 9.678 1.522 1.00 0.00 O ATOM 167 CB ASP A 13 -1.809 12.034 3.016 1.00 0.00 C ATOM 168 CG ASP A 13 -2.777 11.697 4.133 1.00 0.00 C ATOM 169 OD1 ASP A 13 -3.250 10.542 4.180 1.00 0.00 O ATOM 170 OD2 ASP A 13 -3.060 12.588 4.961 1.00 0.00 O ATOM 0 H ASP A 13 0.153 13.150 4.007 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.600 10.444 3.804 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.648 13.112 2.991 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.251 11.756 2.059 1.00 0.00 H new ATOM 175 N PHE A 14 0.458 11.835 0.992 1.00 0.00 N ATOM 176 CA PHE A 14 0.978 11.533 -0.336 1.00 0.00 C ATOM 177 C PHE A 14 2.285 10.754 -0.243 1.00 0.00 C ATOM 178 O PHE A 14 2.626 9.988 -1.145 1.00 0.00 O ATOM 179 CB PHE A 14 1.189 12.821 -1.132 1.00 0.00 C ATOM 180 CG PHE A 14 -0.084 13.404 -1.675 1.00 0.00 C ATOM 181 CD1 PHE A 14 -0.760 12.783 -2.714 1.00 0.00 C ATOM 182 CD2 PHE A 14 -0.606 14.573 -1.144 1.00 0.00 C ATOM 183 CE1 PHE A 14 -1.933 13.317 -3.211 1.00 0.00 C ATOM 184 CE2 PHE A 14 -1.778 15.112 -1.639 1.00 0.00 C ATOM 185 CZ PHE A 14 -2.442 14.483 -2.673 1.00 0.00 C ATOM 0 H PHE A 14 0.433 12.829 1.220 1.00 0.00 H new ATOM 0 HA PHE A 14 0.245 10.915 -0.854 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.674 13.559 -0.493 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.870 12.620 -1.959 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.365 11.872 -3.139 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.091 15.068 -0.334 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.452 12.823 -4.019 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.174 16.024 -1.218 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.359 14.902 -3.061 1.00 0.00 H new ATOM 195 N GLN A 15 3.009 10.943 0.856 1.00 0.00 N ATOM 196 CA GLN A 15 4.268 10.244 1.065 1.00 0.00 C ATOM 197 C GLN A 15 3.994 8.799 1.444 1.00 0.00 C ATOM 198 O GLN A 15 4.695 7.883 1.014 1.00 0.00 O ATOM 199 CB GLN A 15 5.087 10.931 2.159 1.00 0.00 C ATOM 200 CG GLN A 15 6.499 10.386 2.296 1.00 0.00 C ATOM 201 CD GLN A 15 7.529 11.258 1.606 1.00 0.00 C ATOM 202 OE1 GLN A 15 7.206 12.325 1.083 1.00 0.00 O ATOM 203 NE2 GLN A 15 8.779 10.807 1.602 1.00 0.00 N ATOM 0 H GLN A 15 2.744 11.573 1.613 1.00 0.00 H new ATOM 0 HA GLN A 15 4.843 10.269 0.139 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.138 11.999 1.946 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.570 10.820 3.112 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.750 10.300 3.353 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.539 9.381 1.876 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.001 9.917 2.048 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.516 11.351 1.153 1.00 0.00 H new ATOM 212 N PHE A 16 2.951 8.604 2.243 1.00 0.00 N ATOM 213 CA PHE A 16 2.566 7.270 2.670 1.00 0.00 C ATOM 214 C PHE A 16 2.164 6.433 1.464 1.00 0.00 C ATOM 215 O PHE A 16 2.446 5.236 1.400 1.00 0.00 O ATOM 216 CB PHE A 16 1.413 7.338 3.673 1.00 0.00 C ATOM 217 CG PHE A 16 0.954 5.989 4.149 1.00 0.00 C ATOM 218 CD1 PHE A 16 1.864 5.068 4.642 1.00 0.00 C ATOM 219 CD2 PHE A 16 -0.386 5.642 4.104 1.00 0.00 C ATOM 220 CE1 PHE A 16 1.446 3.826 5.080 1.00 0.00 C ATOM 221 CE2 PHE A 16 -0.810 4.402 4.540 1.00 0.00 C ATOM 222 CZ PHE A 16 0.106 3.492 5.029 1.00 0.00 C ATOM 0 H PHE A 16 2.360 9.352 2.606 1.00 0.00 H new ATOM 0 HA PHE A 16 3.420 6.801 3.159 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.724 7.932 4.533 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.572 7.858 3.214 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.912 5.324 4.684 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.108 6.349 3.723 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.166 3.117 5.462 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.858 4.144 4.498 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.224 2.522 5.371 1.00 0.00 H new ATOM 232 N LEU A 17 1.511 7.079 0.500 1.00 0.00 N ATOM 233 CA LEU A 17 1.080 6.402 -0.713 1.00 0.00 C ATOM 234 C LEU A 17 2.285 5.875 -1.478 1.00 0.00 C ATOM 235 O LEU A 17 2.261 4.766 -2.011 1.00 0.00 O ATOM 236 CB LEU A 17 0.267 7.352 -1.596 1.00 0.00 C ATOM 237 CG LEU A 17 -1.247 7.141 -1.542 1.00 0.00 C ATOM 238 CD1 LEU A 17 -1.918 8.265 -0.766 1.00 0.00 C ATOM 239 CD2 LEU A 17 -1.826 7.040 -2.948 1.00 0.00 C ATOM 0 H LEU A 17 1.271 8.070 0.539 1.00 0.00 H new ATOM 0 HA LEU A 17 0.446 5.560 -0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.487 8.378 -1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.599 7.239 -2.628 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.443 6.203 -1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.995 8.096 -0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.529 8.287 0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.712 9.218 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.904 6.890 -2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.618 7.960 -3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.371 6.198 -3.469 1.00 0.00 H new ATOM 251 N SER A 18 3.352 6.666 -1.515 1.00 0.00 N ATOM 252 CA SER A 18 4.567 6.251 -2.198 1.00 0.00 C ATOM 253 C SER A 18 5.019 4.905 -1.650 1.00 0.00 C ATOM 254 O SER A 18 5.544 4.064 -2.379 1.00 0.00 O ATOM 255 CB SER A 18 5.670 7.296 -2.016 1.00 0.00 C ATOM 256 OG SER A 18 5.471 8.405 -2.874 1.00 0.00 O ATOM 0 H SER A 18 3.399 7.589 -1.084 1.00 0.00 H new ATOM 0 HA SER A 18 4.362 6.157 -3.264 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.688 7.633 -0.980 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.640 6.844 -2.221 1.00 0.00 H new ATOM 0 HG SER A 18 6.189 9.058 -2.736 1.00 0.00 H new ATOM 262 N ASP A 19 4.791 4.709 -0.354 1.00 0.00 N ATOM 263 CA ASP A 19 5.150 3.467 0.314 1.00 0.00 C ATOM 264 C ASP A 19 4.139 2.364 0.000 1.00 0.00 C ATOM 265 O ASP A 19 4.522 1.243 -0.338 1.00 0.00 O ATOM 266 CB ASP A 19 5.234 3.681 1.826 1.00 0.00 C ATOM 267 CG ASP A 19 6.289 2.809 2.477 1.00 0.00 C ATOM 268 OD1 ASP A 19 6.474 1.660 2.021 1.00 0.00 O ATOM 269 OD2 ASP A 19 6.930 3.274 3.442 1.00 0.00 O ATOM 0 H ASP A 19 4.356 5.401 0.256 1.00 0.00 H new ATOM 0 HA ASP A 19 6.126 3.156 -0.057 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.456 4.728 2.030 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.264 3.468 2.274 1.00 0.00 H new ATOM 274 N VAL A 20 2.848 2.681 0.113 1.00 0.00 N ATOM 275 CA VAL A 20 1.804 1.697 -0.162 1.00 0.00 C ATOM 276 C VAL A 20 1.875 1.233 -1.611 1.00 0.00 C ATOM 277 O VAL A 20 1.808 0.039 -1.897 1.00 0.00 O ATOM 278 CB VAL A 20 0.390 2.238 0.154 1.00 0.00 C ATOM 279 CG1 VAL A 20 0.413 3.037 1.445 1.00 0.00 C ATOM 280 CG2 VAL A 20 -0.162 3.078 -0.991 1.00 0.00 C ATOM 0 H VAL A 20 2.505 3.601 0.390 1.00 0.00 H new ATOM 0 HA VAL A 20 1.985 0.848 0.498 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.276 1.384 0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.588 3.413 1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.742 2.397 2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.102 3.876 1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.157 3.440 -0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.497 3.927 -1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.222 2.469 -1.893 1.00 0.00 H new ATOM 290 N LEU A 21 2.035 2.186 -2.520 1.00 0.00 N ATOM 291 CA LEU A 21 2.144 1.869 -3.934 1.00 0.00 C ATOM 292 C LEU A 21 3.472 1.169 -4.204 1.00 0.00 C ATOM 293 O LEU A 21 3.633 0.480 -5.212 1.00 0.00 O ATOM 294 CB LEU A 21 2.033 3.139 -4.780 1.00 0.00 C ATOM 295 CG LEU A 21 0.771 3.971 -4.537 1.00 0.00 C ATOM 296 CD1 LEU A 21 0.849 5.289 -5.288 1.00 0.00 C ATOM 297 CD2 LEU A 21 -0.468 3.191 -4.952 1.00 0.00 C ATOM 0 H LEU A 21 2.092 3.181 -2.302 1.00 0.00 H new ATOM 0 HA LEU A 21 1.326 1.203 -4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.905 3.764 -4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.069 2.860 -5.833 1.00 0.00 H new ATOM 0 HG LEU A 21 0.700 4.188 -3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.057 5.867 -5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.716 5.853 -4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.944 5.094 -6.356 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.356 3.797 -4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.405 2.945 -6.012 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.532 2.272 -4.369 1.00 0.00 H new ATOM 309 N ASP A 22 4.420 1.345 -3.283 1.00 0.00 N ATOM 310 CA ASP A 22 5.732 0.727 -3.401 1.00 0.00 C ATOM 311 C ASP A 22 5.694 -0.718 -2.917 1.00 0.00 C ATOM 312 O ASP A 22 6.496 -1.545 -3.349 1.00 0.00 O ATOM 313 CB ASP A 22 6.769 1.518 -2.601 1.00 0.00 C ATOM 314 CG ASP A 22 7.518 2.520 -3.456 1.00 0.00 C ATOM 315 OD1 ASP A 22 7.680 2.263 -4.668 1.00 0.00 O ATOM 316 OD2 ASP A 22 7.942 3.563 -2.915 1.00 0.00 O ATOM 0 H ASP A 22 4.298 1.914 -2.445 1.00 0.00 H new ATOM 0 HA ASP A 22 6.016 0.734 -4.453 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.272 2.041 -1.785 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.480 0.826 -2.150 1.00 0.00 H new ATOM 321 N CYS A 23 4.755 -1.021 -2.015 1.00 0.00 N ATOM 322 CA CYS A 23 4.618 -2.374 -1.478 1.00 0.00 C ATOM 323 C CYS A 23 4.694 -3.415 -2.595 1.00 0.00 C ATOM 324 O CYS A 23 4.593 -3.079 -3.775 1.00 0.00 O ATOM 325 CB CYS A 23 3.301 -2.514 -0.711 1.00 0.00 C ATOM 326 SG CYS A 23 3.439 -2.148 1.054 1.00 0.00 S ATOM 0 H CYS A 23 4.083 -0.350 -1.644 1.00 0.00 H new ATOM 0 HA CYS A 23 5.445 -2.550 -0.790 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.561 -1.847 -1.154 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.927 -3.531 -0.833 1.00 0.00 H new ATOM 0 HG CYS A 23 4.380 -1.271 1.243 1.00 0.00 H new ATOM 332 N ARG A 24 4.885 -4.674 -2.219 1.00 0.00 N ATOM 333 CA ARG A 24 4.990 -5.753 -3.197 1.00 0.00 C ATOM 334 C ARG A 24 3.673 -6.509 -3.353 1.00 0.00 C ATOM 335 O ARG A 24 3.528 -7.333 -4.256 1.00 0.00 O ATOM 336 CB ARG A 24 6.103 -6.723 -2.796 1.00 0.00 C ATOM 337 CG ARG A 24 7.449 -6.394 -3.421 1.00 0.00 C ATOM 338 CD ARG A 24 8.002 -5.081 -2.894 1.00 0.00 C ATOM 339 NE ARG A 24 8.888 -4.432 -3.858 1.00 0.00 N ATOM 340 CZ ARG A 24 8.465 -3.652 -4.852 1.00 0.00 C ATOM 341 NH1 ARG A 24 7.170 -3.418 -5.018 1.00 0.00 N ATOM 342 NH2 ARG A 24 9.343 -3.104 -5.682 1.00 0.00 N ATOM 0 H ARG A 24 4.970 -4.973 -1.248 1.00 0.00 H new ATOM 0 HA ARG A 24 5.230 -5.300 -4.159 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.205 -6.718 -1.711 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.815 -7.734 -3.085 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.155 -7.198 -3.211 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.344 -6.337 -4.504 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.177 -4.411 -2.653 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.546 -5.263 -1.967 1.00 0.00 H new ATOM 0 HE ARG A 24 9.892 -4.586 -3.764 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.491 -3.836 -4.382 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.854 -2.820 -5.781 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.340 -3.280 -5.559 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.021 -2.507 -6.443 1.00 0.00 H new ATOM 356 N ALA A 25 2.714 -6.230 -2.477 1.00 0.00 N ATOM 357 CA ALA A 25 1.420 -6.894 -2.537 1.00 0.00 C ATOM 358 C ALA A 25 0.443 -6.285 -1.539 1.00 0.00 C ATOM 359 O ALA A 25 0.830 -5.890 -0.438 1.00 0.00 O ATOM 360 CB ALA A 25 1.580 -8.383 -2.278 1.00 0.00 C ATOM 0 H ALA A 25 2.809 -5.552 -1.721 1.00 0.00 H new ATOM 0 HA ALA A 25 1.012 -6.751 -3.538 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.605 -8.867 -2.326 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.237 -8.815 -3.033 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.013 -8.536 -1.289 1.00 0.00 H new ATOM 366 N VAL A 26 -0.825 -6.214 -1.928 1.00 0.00 N ATOM 367 CA VAL A 26 -1.856 -5.658 -1.063 1.00 0.00 C ATOM 368 C VAL A 26 -3.047 -6.603 -0.953 1.00 0.00 C ATOM 369 O VAL A 26 -3.498 -7.173 -1.946 1.00 0.00 O ATOM 370 CB VAL A 26 -2.330 -4.265 -1.548 1.00 0.00 C ATOM 371 CG1 VAL A 26 -2.165 -4.119 -3.047 1.00 0.00 C ATOM 372 CG2 VAL A 26 -3.767 -3.981 -1.128 1.00 0.00 C ATOM 0 H VAL A 26 -1.162 -6.534 -2.836 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.408 -5.537 -0.077 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.694 -3.523 -1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.506 -3.131 -3.356 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.114 -4.239 -3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.756 -4.882 -3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.063 -2.995 -1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.427 -4.736 -1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.841 -4.009 -0.041 1.00 0.00 H new ATOM 382 N ARG A 27 -3.549 -6.761 0.267 1.00 0.00 N ATOM 383 CA ARG A 27 -4.687 -7.634 0.516 1.00 0.00 C ATOM 384 C ARG A 27 -5.353 -7.291 1.843 1.00 0.00 C ATOM 385 O ARG A 27 -4.699 -6.819 2.772 1.00 0.00 O ATOM 386 CB ARG A 27 -4.244 -9.097 0.511 1.00 0.00 C ATOM 387 CG ARG A 27 -4.685 -9.862 -0.727 1.00 0.00 C ATOM 388 CD ARG A 27 -6.187 -9.768 -0.942 1.00 0.00 C ATOM 389 NE ARG A 27 -6.545 -8.683 -1.852 1.00 0.00 N ATOM 390 CZ ARG A 27 -6.173 -8.631 -3.131 1.00 0.00 C ATOM 391 NH1 ARG A 27 -5.443 -9.606 -3.657 1.00 0.00 N ATOM 392 NH2 ARG A 27 -6.536 -7.602 -3.884 1.00 0.00 N ATOM 0 H ARG A 27 -3.185 -6.295 1.098 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.414 -7.482 -0.282 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.157 -9.139 0.586 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.644 -9.592 1.396 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.167 -9.468 -1.602 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.396 -10.909 -0.630 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.555 -10.713 -1.342 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.681 -9.614 0.017 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.114 -7.919 -1.487 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.163 -10.401 -3.082 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.161 -9.561 -4.636 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.099 -6.851 -3.485 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.252 -7.561 -4.863 1.00 0.00 H new ATOM 406 N SER A 28 -6.658 -7.528 1.925 1.00 0.00 N ATOM 407 CA SER A 28 -7.413 -7.239 3.137 1.00 0.00 C ATOM 408 C SER A 28 -7.051 -8.215 4.250 1.00 0.00 C ATOM 409 O SER A 28 -7.038 -9.428 4.045 1.00 0.00 O ATOM 410 CB SER A 28 -8.917 -7.300 2.856 1.00 0.00 C ATOM 411 OG SER A 28 -9.595 -6.217 3.469 1.00 0.00 O ATOM 0 H SER A 28 -7.214 -7.920 1.165 1.00 0.00 H new ATOM 0 HA SER A 28 -7.153 -6.232 3.464 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.090 -7.279 1.780 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.321 -8.242 3.226 1.00 0.00 H new ATOM 0 HG SER A 28 -10.553 -6.278 3.273 1.00 0.00 H new ATOM 417 N ALA A 29 -6.762 -7.677 5.431 1.00 0.00 N ATOM 418 CA ALA A 29 -6.406 -8.502 6.578 1.00 0.00 C ATOM 419 C ALA A 29 -7.543 -9.453 6.924 1.00 0.00 C ATOM 420 O ALA A 29 -7.314 -10.582 7.358 1.00 0.00 O ATOM 421 CB ALA A 29 -6.056 -7.626 7.772 1.00 0.00 C ATOM 0 H ALA A 29 -6.768 -6.674 5.618 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.530 -9.097 6.319 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.792 -8.257 8.621 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.211 -6.986 7.519 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.914 -7.007 8.033 1.00 0.00 H new ATOM 427 N MET A 30 -8.774 -8.989 6.722 1.00 0.00 N ATOM 428 CA MET A 30 -9.950 -9.803 7.007 1.00 0.00 C ATOM 429 C MET A 30 -9.932 -11.085 6.178 1.00 0.00 C ATOM 430 O MET A 30 -10.475 -12.111 6.591 1.00 0.00 O ATOM 431 CB MET A 30 -11.227 -9.012 6.717 1.00 0.00 C ATOM 432 CG MET A 30 -11.745 -8.232 7.915 1.00 0.00 C ATOM 433 SD MET A 30 -13.294 -7.376 7.570 1.00 0.00 S ATOM 434 CE MET A 30 -13.005 -5.809 8.389 1.00 0.00 C ATOM 0 H MET A 30 -8.981 -8.057 6.363 1.00 0.00 H new ATOM 0 HA MET A 30 -9.931 -10.071 8.063 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.037 -8.319 5.897 1.00 0.00 H new ATOM 0 HB3 MET A 30 -12.002 -9.700 6.379 1.00 0.00 H new ATOM 0 HG2 MET A 30 -11.890 -8.914 8.753 1.00 0.00 H new ATOM 0 HG3 MET A 30 -10.993 -7.505 8.223 1.00 0.00 H new ATOM 0 HE1 MET A 30 -13.936 -5.452 8.829 1.00 0.00 H new ATOM 0 HE2 MET A 30 -12.259 -5.940 9.173 1.00 0.00 H new ATOM 0 HE3 MET A 30 -12.644 -5.080 7.663 1.00 0.00 H new ATOM 444 N ASN A 31 -9.303 -11.019 5.008 1.00 0.00 N ATOM 445 CA ASN A 31 -9.210 -12.172 4.120 1.00 0.00 C ATOM 446 C ASN A 31 -8.003 -12.044 3.193 1.00 0.00 C ATOM 447 O ASN A 31 -8.145 -11.990 1.971 1.00 0.00 O ATOM 448 CB ASN A 31 -10.493 -12.316 3.299 1.00 0.00 C ATOM 449 CG ASN A 31 -10.919 -13.763 3.143 1.00 0.00 C ATOM 450 OD1 ASN A 31 -10.098 -14.639 2.867 1.00 0.00 O ATOM 451 ND2 ASN A 31 -12.210 -14.022 3.320 1.00 0.00 N ATOM 0 H ASN A 31 -8.850 -10.177 4.653 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.082 -13.065 4.732 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.294 -11.754 3.780 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.342 -11.876 2.313 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.556 -14.977 3.228 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.855 -13.266 3.548 1.00 0.00 H new ATOM 458 N LEU A 32 -6.814 -11.992 3.786 1.00 0.00 N ATOM 459 CA LEU A 32 -5.578 -11.865 3.022 1.00 0.00 C ATOM 460 C LEU A 32 -5.422 -13.013 2.025 1.00 0.00 C ATOM 461 O LEU A 32 -4.686 -12.897 1.044 1.00 0.00 O ATOM 462 CB LEU A 32 -4.374 -11.826 3.967 1.00 0.00 C ATOM 463 CG LEU A 32 -3.593 -10.511 3.965 1.00 0.00 C ATOM 464 CD1 LEU A 32 -2.748 -10.390 5.225 1.00 0.00 C ATOM 465 CD2 LEU A 32 -2.719 -10.413 2.725 1.00 0.00 C ATOM 0 H LEU A 32 -6.681 -12.036 4.796 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.625 -10.932 2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.721 -12.024 4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.695 -12.635 3.699 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.306 -9.687 3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.199 -9.448 5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.396 -10.415 6.101 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.043 -11.220 5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.170 -9.471 2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.013 -11.244 2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.346 -10.454 1.834 1.00 0.00 H new ATOM 477 N ARG A 33 -6.111 -14.121 2.281 1.00 0.00 N ATOM 478 CA ARG A 33 -6.036 -15.285 1.405 1.00 0.00 C ATOM 479 C ARG A 33 -7.098 -15.232 0.307 1.00 0.00 C ATOM 480 O ARG A 33 -7.337 -16.225 -0.381 1.00 0.00 O ATOM 481 CB ARG A 33 -6.197 -16.570 2.219 1.00 0.00 C ATOM 482 CG ARG A 33 -7.403 -16.556 3.147 1.00 0.00 C ATOM 483 CD ARG A 33 -6.985 -16.493 4.607 1.00 0.00 C ATOM 484 NE ARG A 33 -8.052 -16.938 5.501 1.00 0.00 N ATOM 485 CZ ARG A 33 -7.853 -17.321 6.760 1.00 0.00 C ATOM 486 NH1 ARG A 33 -6.630 -17.315 7.278 1.00 0.00 N ATOM 487 NH2 ARG A 33 -8.879 -17.710 7.505 1.00 0.00 N ATOM 0 H ARG A 33 -6.726 -14.237 3.086 1.00 0.00 H new ATOM 0 HA ARG A 33 -5.056 -15.276 0.928 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.285 -17.415 1.536 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.296 -16.731 2.810 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.034 -15.699 2.911 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.003 -17.450 2.978 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.102 -17.114 4.759 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.703 -15.471 4.860 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.005 -16.956 5.139 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.837 -17.016 6.710 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.484 -17.610 8.244 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.821 -17.716 7.113 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.726 -18.004 8.470 1.00 0.00 H new ATOM 501 N ALA A 34 -7.734 -14.075 0.141 1.00 0.00 N ATOM 502 CA ALA A 34 -8.764 -13.917 -0.880 1.00 0.00 C ATOM 503 C ALA A 34 -9.142 -12.450 -1.068 1.00 0.00 C ATOM 504 O ALA A 34 -9.487 -11.759 -0.108 1.00 0.00 O ATOM 505 CB ALA A 34 -9.993 -14.737 -0.518 1.00 0.00 C ATOM 0 H ALA A 34 -7.555 -13.239 0.697 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.359 -14.281 -1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.754 -14.611 -1.288 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -9.720 -15.790 -0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.387 -14.399 0.441 1.00 0.00 H new ATOM 511 N ALA A 35 -9.081 -11.985 -2.312 1.00 0.00 N ATOM 512 CA ALA A 35 -9.421 -10.603 -2.632 1.00 0.00 C ATOM 513 C ALA A 35 -10.922 -10.452 -2.859 1.00 0.00 C ATOM 514 O ALA A 35 -11.665 -11.431 -2.810 1.00 0.00 O ATOM 515 CB ALA A 35 -8.652 -10.141 -3.860 1.00 0.00 C ATOM 0 H ALA A 35 -8.799 -12.546 -3.116 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.139 -9.977 -1.785 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.916 -9.108 -4.087 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.582 -10.208 -3.665 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.907 -10.775 -4.709 1.00 0.00 H new ATOM 521 N LEU A 36 -11.364 -9.223 -3.108 1.00 0.00 N ATOM 522 CA LEU A 36 -12.779 -8.962 -3.341 1.00 0.00 C ATOM 523 C LEU A 36 -13.142 -9.208 -4.801 1.00 0.00 C ATOM 524 O LEU A 36 -13.873 -10.147 -5.119 1.00 0.00 O ATOM 525 CB LEU A 36 -13.114 -7.521 -2.957 1.00 0.00 C ATOM 526 CG LEU A 36 -12.629 -7.086 -1.573 1.00 0.00 C ATOM 527 CD1 LEU A 36 -11.213 -6.536 -1.654 1.00 0.00 C ATOM 528 CD2 LEU A 36 -13.571 -6.050 -0.980 1.00 0.00 C ATOM 0 H LEU A 36 -10.767 -8.398 -3.153 1.00 0.00 H new ATOM 0 HA LEU A 36 -13.361 -9.645 -2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.682 -6.853 -3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -14.195 -7.392 -3.003 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.622 -7.958 -0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -10.884 -6.231 -0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.545 -7.307 -2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.195 -5.675 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.211 -5.752 0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -13.609 -5.177 -1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -14.569 -6.477 -0.887 1.00 0.00 H new ATOM 540 N THR A 37 -12.615 -8.369 -5.683 1.00 0.00 N ATOM 541 CA THR A 37 -12.865 -8.498 -7.117 1.00 0.00 C ATOM 542 C THR A 37 -12.306 -7.296 -7.872 1.00 0.00 C ATOM 543 O THR A 37 -12.085 -6.235 -7.288 1.00 0.00 O ATOM 544 CB THR A 37 -14.363 -8.654 -7.402 1.00 0.00 C ATOM 545 OG1 THR A 37 -14.636 -8.446 -8.775 1.00 0.00 O ATOM 546 CG2 THR A 37 -15.234 -7.702 -6.612 1.00 0.00 C ATOM 0 H THR A 37 -12.009 -7.588 -5.432 1.00 0.00 H new ATOM 0 HA THR A 37 -12.355 -9.396 -7.465 1.00 0.00 H new ATOM 0 HB THR A 37 -14.605 -9.672 -7.098 1.00 0.00 H new ATOM 0 HG1 THR A 37 -15.597 -8.552 -8.937 1.00 0.00 H new ATOM 0 HG21 THR A 37 -16.281 -7.871 -6.866 1.00 0.00 H new ATOM 0 HG22 THR A 37 -15.087 -7.874 -5.546 1.00 0.00 H new ATOM 0 HG23 THR A 37 -14.963 -6.674 -6.855 1.00 0.00 H new ATOM 554 N SER A 38 -12.071 -7.472 -9.170 1.00 0.00 N ATOM 555 CA SER A 38 -11.528 -6.404 -10.009 1.00 0.00 C ATOM 556 C SER A 38 -12.234 -5.077 -9.741 1.00 0.00 C ATOM 557 O SER A 38 -11.588 -4.059 -9.489 1.00 0.00 O ATOM 558 CB SER A 38 -11.660 -6.774 -11.488 1.00 0.00 C ATOM 559 OG SER A 38 -10.470 -7.374 -11.971 1.00 0.00 O ATOM 0 H SER A 38 -12.248 -8.346 -9.666 1.00 0.00 H new ATOM 0 HA SER A 38 -10.473 -6.286 -9.760 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.497 -7.459 -11.621 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.883 -5.881 -12.071 1.00 0.00 H new ATOM 0 HG SER A 38 -10.580 -7.603 -12.918 1.00 0.00 H new ATOM 565 N PHE A 39 -13.560 -5.098 -9.797 1.00 0.00 N ATOM 566 CA PHE A 39 -14.353 -3.898 -9.561 1.00 0.00 C ATOM 567 C PHE A 39 -14.140 -3.375 -8.143 1.00 0.00 C ATOM 568 O PHE A 39 -14.152 -2.167 -7.911 1.00 0.00 O ATOM 569 CB PHE A 39 -15.837 -4.191 -9.796 1.00 0.00 C ATOM 570 CG PHE A 39 -16.474 -3.282 -10.809 1.00 0.00 C ATOM 571 CD1 PHE A 39 -16.434 -1.907 -10.647 1.00 0.00 C ATOM 572 CD2 PHE A 39 -17.111 -3.805 -11.922 1.00 0.00 C ATOM 573 CE1 PHE A 39 -17.019 -1.069 -11.577 1.00 0.00 C ATOM 574 CE2 PHE A 39 -17.697 -2.972 -12.856 1.00 0.00 C ATOM 575 CZ PHE A 39 -17.651 -1.603 -12.684 1.00 0.00 C ATOM 0 H PHE A 39 -14.109 -5.933 -10.004 1.00 0.00 H new ATOM 0 HA PHE A 39 -14.026 -3.130 -10.262 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -15.947 -5.224 -10.126 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -16.372 -4.100 -8.850 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -15.940 -1.485 -9.784 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -17.150 -4.875 -12.061 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -16.982 0.002 -11.439 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -18.191 -3.392 -13.720 1.00 0.00 H new ATOM 0 HZ PHE A 39 -18.108 -0.950 -13.413 1.00 0.00 H new ATOM 585 N GLN A 40 -13.944 -4.290 -7.196 1.00 0.00 N ATOM 586 CA GLN A 40 -13.729 -3.908 -5.806 1.00 0.00 C ATOM 587 C GLN A 40 -12.352 -3.286 -5.617 1.00 0.00 C ATOM 588 O GLN A 40 -12.230 -2.162 -5.131 1.00 0.00 O ATOM 589 CB GLN A 40 -13.897 -5.110 -4.880 1.00 0.00 C ATOM 590 CG GLN A 40 -15.206 -5.094 -4.106 1.00 0.00 C ATOM 591 CD GLN A 40 -16.390 -5.525 -4.950 1.00 0.00 C ATOM 592 OE1 GLN A 40 -16.947 -6.605 -4.753 1.00 0.00 O ATOM 593 NE2 GLN A 40 -16.780 -4.681 -5.898 1.00 0.00 N ATOM 0 H GLN A 40 -13.930 -5.296 -7.366 1.00 0.00 H new ATOM 0 HA GLN A 40 -14.481 -3.163 -5.547 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.843 -6.025 -5.470 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.066 -5.136 -4.175 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -15.121 -5.754 -3.243 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -15.385 -4.089 -3.723 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.289 -3.796 -6.026 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -17.570 -4.918 -6.498 1.00 0.00 H new ATOM 602 N VAL A 41 -11.315 -4.019 -6.010 1.00 0.00 N ATOM 603 CA VAL A 41 -9.949 -3.526 -5.886 1.00 0.00 C ATOM 604 C VAL A 41 -9.796 -2.188 -6.600 1.00 0.00 C ATOM 605 O VAL A 41 -9.111 -1.287 -6.116 1.00 0.00 O ATOM 606 CB VAL A 41 -8.931 -4.527 -6.465 1.00 0.00 C ATOM 607 CG1 VAL A 41 -7.508 -4.058 -6.202 1.00 0.00 C ATOM 608 CG2 VAL A 41 -9.161 -5.916 -5.886 1.00 0.00 C ATOM 0 H VAL A 41 -11.394 -4.952 -6.415 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.747 -3.400 -4.822 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.075 -4.580 -7.544 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.804 -4.779 -6.619 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.353 -3.086 -6.671 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.346 -3.972 -5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.433 -6.610 -6.306 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.047 -5.882 -4.803 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.168 -6.252 -6.134 1.00 0.00 H new ATOM 618 N ALA A 42 -10.449 -2.065 -7.752 1.00 0.00 N ATOM 619 CA ALA A 42 -10.398 -0.838 -8.534 1.00 0.00 C ATOM 620 C ALA A 42 -11.059 0.313 -7.786 1.00 0.00 C ATOM 621 O ALA A 42 -10.588 1.449 -7.835 1.00 0.00 O ATOM 622 CB ALA A 42 -11.064 -1.048 -9.886 1.00 0.00 C ATOM 0 H ALA A 42 -11.020 -2.803 -8.164 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.352 -0.578 -8.695 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.019 -0.123 -10.461 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.545 -1.838 -10.428 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.106 -1.333 -9.738 1.00 0.00 H new ATOM 628 N GLN A 43 -12.154 0.013 -7.091 1.00 0.00 N ATOM 629 CA GLN A 43 -12.873 1.026 -6.330 1.00 0.00 C ATOM 630 C GLN A 43 -11.948 1.691 -5.319 1.00 0.00 C ATOM 631 O GLN A 43 -11.871 2.918 -5.244 1.00 0.00 O ATOM 632 CB GLN A 43 -14.073 0.404 -5.613 1.00 0.00 C ATOM 633 CG GLN A 43 -15.332 0.357 -6.463 1.00 0.00 C ATOM 634 CD GLN A 43 -16.508 -0.260 -5.731 1.00 0.00 C ATOM 635 OE1 GLN A 43 -16.830 0.131 -4.609 1.00 0.00 O ATOM 636 NE2 GLN A 43 -17.156 -1.230 -6.366 1.00 0.00 N ATOM 0 H GLN A 43 -12.560 -0.921 -7.040 1.00 0.00 H new ATOM 0 HA GLN A 43 -13.234 1.784 -7.025 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.816 -0.609 -5.303 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.278 0.972 -4.706 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -15.593 1.368 -6.775 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.133 -0.215 -7.369 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -16.854 -1.522 -7.295 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.956 -1.683 -5.924 1.00 0.00 H new ATOM 645 N TYR A 44 -11.238 0.872 -4.551 1.00 0.00 N ATOM 646 CA TYR A 44 -10.307 1.378 -3.552 1.00 0.00 C ATOM 647 C TYR A 44 -9.158 2.122 -4.227 1.00 0.00 C ATOM 648 O TYR A 44 -8.651 3.114 -3.701 1.00 0.00 O ATOM 649 CB TYR A 44 -9.762 0.224 -2.707 1.00 0.00 C ATOM 650 CG TYR A 44 -8.767 0.656 -1.655 1.00 0.00 C ATOM 651 CD1 TYR A 44 -9.018 1.753 -0.842 1.00 0.00 C ATOM 652 CD2 TYR A 44 -7.575 -0.036 -1.475 1.00 0.00 C ATOM 653 CE1 TYR A 44 -8.109 2.151 0.120 1.00 0.00 C ATOM 654 CE2 TYR A 44 -6.661 0.356 -0.515 1.00 0.00 C ATOM 655 CZ TYR A 44 -6.934 1.450 0.279 1.00 0.00 C ATOM 656 OH TYR A 44 -6.026 1.843 1.235 1.00 0.00 O ATOM 0 H TYR A 44 -11.290 -0.145 -4.602 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.838 2.072 -2.901 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.595 -0.282 -2.220 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.288 -0.504 -3.365 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -9.939 2.304 -0.963 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.360 -0.894 -2.095 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.319 3.007 0.744 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.739 -0.191 -0.388 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.500 2.263 1.983 1.00 0.00 H new ATOM 666 N ARG A 45 -8.761 1.637 -5.399 1.00 0.00 N ATOM 667 CA ARG A 45 -7.678 2.253 -6.156 1.00 0.00 C ATOM 668 C ARG A 45 -8.067 3.654 -6.617 1.00 0.00 C ATOM 669 O ARG A 45 -7.251 4.574 -6.595 1.00 0.00 O ATOM 670 CB ARG A 45 -7.319 1.388 -7.367 1.00 0.00 C ATOM 671 CG ARG A 45 -6.370 0.246 -7.043 1.00 0.00 C ATOM 672 CD ARG A 45 -5.562 -0.176 -8.261 1.00 0.00 C ATOM 673 NE ARG A 45 -5.904 -1.525 -8.705 1.00 0.00 N ATOM 674 CZ ARG A 45 -6.875 -1.800 -9.575 1.00 0.00 C ATOM 675 NH1 ARG A 45 -7.600 -0.823 -10.105 1.00 0.00 N ATOM 676 NH2 ARG A 45 -7.122 -3.057 -9.913 1.00 0.00 N ATOM 0 H ARG A 45 -9.174 0.818 -5.845 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.809 2.332 -5.503 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.234 0.978 -7.793 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.866 2.019 -8.132 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.693 0.551 -6.245 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.939 -0.606 -6.671 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.737 0.528 -9.074 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.499 -0.131 -8.024 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.366 -2.304 -8.326 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.416 0.146 -9.847 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.342 -1.042 -10.770 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.569 -3.812 -9.507 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.865 -3.270 -10.579 1.00 0.00 H new ATOM 690 N ASN A 46 -9.320 3.807 -7.033 1.00 0.00 N ATOM 691 CA ASN A 46 -9.819 5.096 -7.498 1.00 0.00 C ATOM 692 C ASN A 46 -9.753 6.132 -6.382 1.00 0.00 C ATOM 693 O ASN A 46 -9.523 7.315 -6.632 1.00 0.00 O ATOM 694 CB ASN A 46 -11.257 4.959 -8.002 1.00 0.00 C ATOM 695 CG ASN A 46 -11.331 4.841 -9.511 1.00 0.00 C ATOM 696 OD1 ASN A 46 -11.127 5.818 -10.233 1.00 0.00 O ATOM 697 ND2 ASN A 46 -11.624 3.640 -9.998 1.00 0.00 N ATOM 0 H ASN A 46 -10.008 3.055 -7.058 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.187 5.431 -8.321 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.716 4.080 -7.549 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.836 5.824 -7.679 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.687 3.500 -11.006 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.786 2.858 -9.363 1.00 0.00 H new ATOM 704 N ILE A 47 -9.952 5.679 -5.148 1.00 0.00 N ATOM 705 CA ILE A 47 -9.911 6.567 -3.993 1.00 0.00 C ATOM 706 C ILE A 47 -8.548 7.242 -3.883 1.00 0.00 C ATOM 707 O ILE A 47 -8.449 8.470 -3.912 1.00 0.00 O ATOM 708 CB ILE A 47 -10.209 5.806 -2.684 1.00 0.00 C ATOM 709 CG1 ILE A 47 -11.539 5.058 -2.796 1.00 0.00 C ATOM 710 CG2 ILE A 47 -10.234 6.764 -1.500 1.00 0.00 C ATOM 711 CD1 ILE A 47 -11.827 4.157 -1.615 1.00 0.00 C ATOM 0 H ILE A 47 -10.143 4.703 -4.923 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.682 7.323 -4.140 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.414 5.079 -2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.347 5.783 -2.895 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.534 4.459 -3.707 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.446 6.208 -0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.265 7.256 -1.409 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.009 7.515 -1.656 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.785 3.659 -1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.039 3.409 -1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.864 4.753 -0.703 1.00 0.00 H new ATOM 723 N LEU A 48 -7.499 6.435 -3.768 1.00 0.00 N ATOM 724 CA LEU A 48 -6.143 6.961 -3.665 1.00 0.00 C ATOM 725 C LEU A 48 -5.744 7.664 -4.957 1.00 0.00 C ATOM 726 O LEU A 48 -5.144 8.738 -4.932 1.00 0.00 O ATOM 727 CB LEU A 48 -5.151 5.836 -3.362 1.00 0.00 C ATOM 728 CG LEU A 48 -5.498 4.948 -2.164 1.00 0.00 C ATOM 729 CD1 LEU A 48 -4.266 4.185 -1.706 1.00 0.00 C ATOM 730 CD2 LEU A 48 -6.063 5.775 -1.017 1.00 0.00 C ATOM 0 H LEU A 48 -7.561 5.417 -3.744 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.120 7.681 -2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.066 5.204 -4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.170 6.278 -3.190 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.262 4.236 -2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.523 3.556 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.901 3.560 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.488 4.891 -1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.301 5.120 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.325 6.513 -0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.968 6.285 -1.347 1.00 0.00 H new ATOM 742 N ASN A 49 -6.085 7.049 -6.084 1.00 0.00 N ATOM 743 CA ASN A 49 -5.766 7.609 -7.391 1.00 0.00 C ATOM 744 C ASN A 49 -6.342 9.016 -7.537 1.00 0.00 C ATOM 745 O ASN A 49 -5.767 9.866 -8.215 1.00 0.00 O ATOM 746 CB ASN A 49 -6.305 6.703 -8.499 1.00 0.00 C ATOM 747 CG ASN A 49 -5.982 7.226 -9.882 1.00 0.00 C ATOM 748 OD1 ASN A 49 -5.038 6.772 -10.529 1.00 0.00 O ATOM 749 ND2 ASN A 49 -6.769 8.188 -10.343 1.00 0.00 N ATOM 0 H ASN A 49 -6.584 6.160 -6.118 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.681 7.672 -7.479 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.884 5.704 -8.384 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.386 6.608 -8.393 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.604 8.582 -11.269 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.540 8.534 -9.772 1.00 0.00 H new ATOM 756 N ALA A 50 -7.479 9.253 -6.892 1.00 0.00 N ATOM 757 CA ALA A 50 -8.131 10.556 -6.944 1.00 0.00 C ATOM 758 C ALA A 50 -7.381 11.578 -6.097 1.00 0.00 C ATOM 759 O ALA A 50 -7.424 12.776 -6.369 1.00 0.00 O ATOM 760 CB ALA A 50 -9.577 10.450 -6.492 1.00 0.00 C ATOM 0 H ALA A 50 -7.968 8.559 -6.327 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.116 10.897 -7.979 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.046 11.433 -6.538 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.113 9.761 -7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.612 10.079 -5.468 1.00 0.00 H new ATOM 766 N SER A 51 -6.697 11.096 -5.068 1.00 0.00 N ATOM 767 CA SER A 51 -5.936 11.967 -4.183 1.00 0.00 C ATOM 768 C SER A 51 -4.767 12.603 -4.932 1.00 0.00 C ATOM 769 O SER A 51 -4.374 13.734 -4.650 1.00 0.00 O ATOM 770 CB SER A 51 -5.423 11.177 -2.976 1.00 0.00 C ATOM 771 OG SER A 51 -6.218 11.424 -1.830 1.00 0.00 O ATOM 0 H SER A 51 -6.654 10.106 -4.826 1.00 0.00 H new ATOM 0 HA SER A 51 -6.594 12.761 -3.830 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.431 10.111 -3.205 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.388 11.452 -2.771 1.00 0.00 H new ATOM 0 HG SER A 51 -6.482 10.572 -1.425 1.00 0.00 H new ATOM 777 N LEU A 52 -4.212 11.854 -5.879 1.00 0.00 N ATOM 778 CA LEU A 52 -3.074 12.321 -6.670 1.00 0.00 C ATOM 779 C LEU A 52 -3.437 13.532 -7.526 1.00 0.00 C ATOM 780 O LEU A 52 -2.799 14.581 -7.430 1.00 0.00 O ATOM 781 CB LEU A 52 -2.553 11.192 -7.571 1.00 0.00 C ATOM 782 CG LEU A 52 -2.795 9.769 -7.052 1.00 0.00 C ATOM 783 CD1 LEU A 52 -2.015 8.759 -7.871 1.00 0.00 C ATOM 784 CD2 LEU A 52 -2.416 9.665 -5.582 1.00 0.00 C ATOM 0 H LEU A 52 -4.532 10.916 -6.120 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.294 12.622 -5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.021 11.287 -8.551 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.481 11.330 -7.715 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.857 9.546 -7.153 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.201 7.757 -7.486 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.332 8.812 -8.912 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.950 8.981 -7.804 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.594 8.649 -5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.361 9.911 -5.460 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.021 10.361 -5.000 1.00 0.00 H new ATOM 796 N GLN A 53 -4.457 13.384 -8.367 1.00 0.00 N ATOM 797 CA GLN A 53 -4.890 14.471 -9.244 1.00 0.00 C ATOM 798 C GLN A 53 -5.207 15.732 -8.446 1.00 0.00 C ATOM 799 O GLN A 53 -4.617 16.788 -8.674 1.00 0.00 O ATOM 800 CB GLN A 53 -6.113 14.047 -10.061 1.00 0.00 C ATOM 801 CG GLN A 53 -7.200 13.373 -9.246 1.00 0.00 C ATOM 802 CD GLN A 53 -7.833 12.210 -9.981 1.00 0.00 C ATOM 803 OE1 GLN A 53 -8.957 12.307 -10.474 1.00 0.00 O ATOM 804 NE2 GLN A 53 -7.110 11.101 -10.056 1.00 0.00 N ATOM 0 H GLN A 53 -4.999 12.525 -8.461 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.069 14.695 -9.925 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.533 14.926 -10.549 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.791 13.367 -10.850 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.779 13.019 -8.305 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.969 14.104 -8.996 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.183 11.067 -9.632 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.481 10.282 -10.538 1.00 0.00 H new ATOM 813 N VAL A 54 -6.140 15.611 -7.511 1.00 0.00 N ATOM 814 CA VAL A 54 -6.542 16.734 -6.672 1.00 0.00 C ATOM 815 C VAL A 54 -5.333 17.438 -6.063 1.00 0.00 C ATOM 816 O VAL A 54 -5.384 18.631 -5.760 1.00 0.00 O ATOM 817 CB VAL A 54 -7.479 16.272 -5.541 1.00 0.00 C ATOM 818 CG1 VAL A 54 -8.882 16.030 -6.077 1.00 0.00 C ATOM 819 CG2 VAL A 54 -6.933 15.018 -4.870 1.00 0.00 C ATOM 0 H VAL A 54 -6.635 14.742 -7.313 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.072 17.436 -7.316 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.531 17.062 -4.792 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.531 15.704 -5.264 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.272 16.953 -6.505 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.849 15.259 -6.847 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.609 14.708 -4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.848 14.219 -5.606 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.950 15.229 -4.449 1.00 0.00 H new ATOM 829 N ASP A 55 -4.243 16.695 -5.887 1.00 0.00 N ATOM 830 CA ASP A 55 -3.021 17.249 -5.315 1.00 0.00 C ATOM 831 C ASP A 55 -2.558 18.474 -6.100 1.00 0.00 C ATOM 832 O ASP A 55 -3.076 18.762 -7.179 1.00 0.00 O ATOM 833 CB ASP A 55 -1.916 16.191 -5.298 1.00 0.00 C ATOM 834 CG ASP A 55 -0.856 16.478 -4.253 1.00 0.00 C ATOM 835 OD1 ASP A 55 -1.149 17.229 -3.299 1.00 0.00 O ATOM 836 OD2 ASP A 55 0.270 15.953 -4.390 1.00 0.00 O ATOM 0 H ASP A 55 -4.182 15.707 -6.133 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.236 17.557 -4.292 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.357 15.213 -5.105 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.449 16.142 -6.282 1.00 0.00 H new ATOM 841 N ARG A 56 -1.581 19.191 -5.553 1.00 0.00 N ATOM 842 CA ARG A 56 -1.053 20.384 -6.203 1.00 0.00 C ATOM 843 C ARG A 56 0.319 20.117 -6.815 1.00 0.00 C ATOM 844 O ARG A 56 1.134 21.029 -6.955 1.00 0.00 O ATOM 845 CB ARG A 56 -0.958 21.536 -5.200 1.00 0.00 C ATOM 846 CG ARG A 56 -2.309 22.025 -4.705 1.00 0.00 C ATOM 847 CD ARG A 56 -2.164 23.223 -3.778 1.00 0.00 C ATOM 848 NE ARG A 56 -2.853 23.018 -2.505 1.00 0.00 N ATOM 849 CZ ARG A 56 -4.162 23.190 -2.333 1.00 0.00 C ATOM 850 NH1 ARG A 56 -4.929 23.564 -3.348 1.00 0.00 N ATOM 851 NH2 ARG A 56 -4.706 22.984 -1.142 1.00 0.00 N ATOM 0 H ARG A 56 -1.140 18.966 -4.661 1.00 0.00 H new ATOM 0 HA ARG A 56 -1.739 20.659 -7.004 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.362 21.215 -4.346 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.428 22.368 -5.664 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.933 22.296 -5.557 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.819 21.217 -4.180 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.107 23.411 -3.592 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.564 24.111 -4.268 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.298 22.726 -1.701 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.517 23.722 -4.268 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.931 23.694 -3.209 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.122 22.694 -0.358 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.709 23.116 -1.010 1.00 0.00 H new ATOM 865 N ASP A 57 0.570 18.863 -7.180 1.00 0.00 N ATOM 866 CA ASP A 57 1.844 18.483 -7.778 1.00 0.00 C ATOM 867 C ASP A 57 1.634 17.551 -8.968 1.00 0.00 C ATOM 868 O ASP A 57 1.680 16.330 -8.827 1.00 0.00 O ATOM 869 CB ASP A 57 2.739 17.808 -6.737 1.00 0.00 C ATOM 870 CG ASP A 57 3.598 18.805 -5.982 1.00 0.00 C ATOM 871 OD1 ASP A 57 3.029 19.713 -5.341 1.00 0.00 O ATOM 872 OD2 ASP A 57 4.839 18.677 -6.034 1.00 0.00 O ATOM 0 H ASP A 57 -0.092 18.094 -7.072 1.00 0.00 H new ATOM 0 HA ASP A 57 2.333 19.390 -8.134 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.118 17.258 -6.030 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.382 17.079 -7.231 1.00 0.00 H new ATOM 877 N ALA A 58 1.405 18.137 -10.138 1.00 0.00 N ATOM 878 CA ALA A 58 1.188 17.359 -11.353 1.00 0.00 C ATOM 879 C ALA A 58 2.397 16.484 -11.668 1.00 0.00 C ATOM 880 O ALA A 58 2.262 15.408 -12.250 1.00 0.00 O ATOM 881 CB ALA A 58 0.884 18.281 -12.523 1.00 0.00 C ATOM 0 H ALA A 58 1.365 19.147 -10.271 1.00 0.00 H new ATOM 0 HA ALA A 58 0.332 16.705 -11.187 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.724 17.687 -13.423 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.014 18.860 -12.306 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.723 18.959 -12.680 1.00 0.00 H new ATOM 887 N ALA A 59 3.579 16.954 -11.281 1.00 0.00 N ATOM 888 CA ALA A 59 4.813 16.216 -11.524 1.00 0.00 C ATOM 889 C ALA A 59 4.923 15.004 -10.603 1.00 0.00 C ATOM 890 O ALA A 59 5.228 13.898 -11.050 1.00 0.00 O ATOM 891 CB ALA A 59 6.016 17.129 -11.345 1.00 0.00 C ATOM 0 H ALA A 59 3.708 17.843 -10.798 1.00 0.00 H new ATOM 0 HA ALA A 59 4.793 15.854 -12.552 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.931 16.566 -11.529 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.952 17.958 -12.050 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.029 17.519 -10.327 1.00 0.00 H new ATOM 897 N ARG A 60 4.679 15.220 -9.314 1.00 0.00 N ATOM 898 CA ARG A 60 4.757 14.147 -8.329 1.00 0.00 C ATOM 899 C ARG A 60 3.542 13.227 -8.418 1.00 0.00 C ATOM 900 O ARG A 60 3.651 12.019 -8.212 1.00 0.00 O ATOM 901 CB ARG A 60 4.867 14.728 -6.919 1.00 0.00 C ATOM 902 CG ARG A 60 6.043 15.676 -6.742 1.00 0.00 C ATOM 903 CD ARG A 60 6.918 15.269 -5.567 1.00 0.00 C ATOM 904 NE ARG A 60 8.274 15.801 -5.685 1.00 0.00 N ATOM 905 CZ ARG A 60 9.177 15.343 -6.548 1.00 0.00 C ATOM 906 NH1 ARG A 60 8.874 14.345 -7.370 1.00 0.00 N ATOM 907 NH2 ARG A 60 10.388 15.883 -6.590 1.00 0.00 N ATOM 0 H ARG A 60 4.425 16.129 -8.927 1.00 0.00 H new ATOM 0 HA ARG A 60 5.649 13.559 -8.545 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.945 15.258 -6.680 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.959 13.910 -6.204 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.640 15.690 -7.654 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.674 16.690 -6.587 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.468 15.624 -4.640 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.959 14.182 -5.505 1.00 0.00 H new ATOM 0 HE ARG A 60 8.544 16.568 -5.070 1.00 0.00 H new ATOM 0 HH11 ARG A 60 7.945 13.925 -7.342 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.571 13.998 -8.030 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.627 16.649 -5.961 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.080 15.532 -7.252 1.00 0.00 H new ATOM 921 N SER A 61 2.385 13.807 -8.722 1.00 0.00 N ATOM 922 CA SER A 61 1.151 13.037 -8.832 1.00 0.00 C ATOM 923 C SER A 61 1.271 11.952 -9.900 1.00 0.00 C ATOM 924 O SER A 61 0.995 10.782 -9.639 1.00 0.00 O ATOM 925 CB SER A 61 -0.025 13.961 -9.156 1.00 0.00 C ATOM 926 OG SER A 61 -0.003 14.356 -10.516 1.00 0.00 O ATOM 0 H SER A 61 2.276 14.806 -8.896 1.00 0.00 H new ATOM 0 HA SER A 61 0.972 12.553 -7.872 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.963 13.451 -8.937 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.015 14.843 -8.517 1.00 0.00 H new ATOM 0 HG SER A 61 -0.843 14.810 -10.739 1.00 0.00 H new ATOM 932 N ARG A 62 1.679 12.348 -11.102 1.00 0.00 N ATOM 933 CA ARG A 62 1.829 11.408 -12.210 1.00 0.00 C ATOM 934 C ARG A 62 2.669 10.201 -11.800 1.00 0.00 C ATOM 935 O ARG A 62 2.439 9.086 -12.266 1.00 0.00 O ATOM 936 CB ARG A 62 2.455 12.103 -13.423 1.00 0.00 C ATOM 937 CG ARG A 62 3.883 12.574 -13.200 1.00 0.00 C ATOM 938 CD ARG A 62 4.690 12.527 -14.488 1.00 0.00 C ATOM 939 NE ARG A 62 6.117 12.336 -14.236 1.00 0.00 N ATOM 940 CZ ARG A 62 6.961 13.327 -13.956 1.00 0.00 C ATOM 941 NH1 ARG A 62 6.527 14.579 -13.883 1.00 0.00 N ATOM 942 NH2 ARG A 62 8.244 13.064 -13.746 1.00 0.00 N ATOM 0 H ARG A 62 1.912 13.313 -11.334 1.00 0.00 H new ATOM 0 HA ARG A 62 0.835 11.052 -12.483 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.438 11.417 -14.270 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.839 12.960 -13.695 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.875 13.592 -12.811 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.361 11.948 -12.446 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.322 11.716 -15.117 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.541 13.453 -15.043 1.00 0.00 H new ATOM 0 HE ARG A 62 6.488 11.387 -14.277 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.541 14.787 -14.042 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.179 15.333 -13.668 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.583 12.103 -13.799 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.892 13.822 -13.531 1.00 0.00 H new ATOM 956 N ARG A 63 3.643 10.431 -10.926 1.00 0.00 N ATOM 957 CA ARG A 63 4.514 9.362 -10.455 1.00 0.00 C ATOM 958 C ARG A 63 3.715 8.308 -9.695 1.00 0.00 C ATOM 959 O ARG A 63 3.872 7.109 -9.926 1.00 0.00 O ATOM 960 CB ARG A 63 5.613 9.930 -9.554 1.00 0.00 C ATOM 961 CG ARG A 63 6.455 11.003 -10.225 1.00 0.00 C ATOM 962 CD ARG A 63 7.942 10.729 -10.063 1.00 0.00 C ATOM 963 NE ARG A 63 8.487 9.980 -11.193 1.00 0.00 N ATOM 964 CZ ARG A 63 9.785 9.917 -11.485 1.00 0.00 C ATOM 965 NH1 ARG A 63 10.673 10.554 -10.733 1.00 0.00 N ATOM 966 NH2 ARG A 63 10.194 9.213 -12.532 1.00 0.00 N ATOM 0 H ARG A 63 3.849 11.348 -10.530 1.00 0.00 H new ATOM 0 HA ARG A 63 4.973 8.891 -11.324 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.156 10.347 -8.656 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.264 9.117 -9.232 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.207 11.051 -11.285 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.215 11.976 -9.797 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.476 11.674 -9.963 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.109 10.169 -9.143 1.00 0.00 H new ATOM 0 HE ARG A 63 7.835 9.476 -11.794 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.363 11.096 -9.926 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.666 10.502 -10.962 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.515 8.721 -13.112 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.188 9.164 -12.757 1.00 0.00 H new ATOM 980 N LEU A 64 2.856 8.765 -8.790 1.00 0.00 N ATOM 981 CA LEU A 64 2.029 7.861 -7.996 1.00 0.00 C ATOM 982 C LEU A 64 0.961 7.203 -8.864 1.00 0.00 C ATOM 983 O LEU A 64 0.610 6.040 -8.661 1.00 0.00 O ATOM 984 CB LEU A 64 1.361 8.605 -6.828 1.00 0.00 C ATOM 985 CG LEU A 64 2.043 9.903 -6.385 1.00 0.00 C ATOM 986 CD1 LEU A 64 1.385 10.446 -5.126 1.00 0.00 C ATOM 987 CD2 LEU A 64 3.533 9.680 -6.157 1.00 0.00 C ATOM 0 H LEU A 64 2.714 9.755 -8.588 1.00 0.00 H new ATOM 0 HA LEU A 64 2.682 7.089 -7.590 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.333 8.835 -7.109 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.314 7.931 -5.972 1.00 0.00 H new ATOM 0 HG LEU A 64 1.927 10.639 -7.181 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.882 11.368 -4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.332 10.649 -5.324 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.469 9.711 -4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.997 10.615 -5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.674 8.927 -5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.996 9.338 -7.083 1.00 0.00 H new ATOM 999 N MET A 65 0.449 7.957 -9.831 1.00 0.00 N ATOM 1000 CA MET A 65 -0.582 7.452 -10.732 1.00 0.00 C ATOM 1001 C MET A 65 -0.112 6.191 -11.451 1.00 0.00 C ATOM 1002 O MET A 65 -0.917 5.321 -11.786 1.00 0.00 O ATOM 1003 CB MET A 65 -0.963 8.526 -11.752 1.00 0.00 C ATOM 1004 CG MET A 65 -1.529 9.789 -11.122 1.00 0.00 C ATOM 1005 SD MET A 65 -2.823 10.548 -12.122 1.00 0.00 S ATOM 1006 CE MET A 65 -4.076 10.851 -10.878 1.00 0.00 C ATOM 0 H MET A 65 0.731 8.921 -10.011 1.00 0.00 H new ATOM 0 HA MET A 65 -1.458 7.198 -10.136 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.083 8.786 -12.340 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.698 8.114 -12.444 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.930 9.550 -10.137 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.723 10.508 -10.972 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.059 10.872 -11.349 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.048 10.057 -10.132 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.885 11.809 -10.395 1.00 0.00 H new ATOM 1016 N ALA A 66 1.193 6.096 -11.684 1.00 0.00 N ATOM 1017 CA ALA A 66 1.763 4.938 -12.358 1.00 0.00 C ATOM 1018 C ALA A 66 1.937 3.779 -11.388 1.00 0.00 C ATOM 1019 O ALA A 66 1.768 2.617 -11.754 1.00 0.00 O ATOM 1020 CB ALA A 66 3.094 5.302 -12.998 1.00 0.00 C ATOM 0 H ALA A 66 1.874 6.807 -11.416 1.00 0.00 H new ATOM 0 HA ALA A 66 1.074 4.624 -13.142 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.509 4.427 -13.498 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.942 6.098 -13.727 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.787 5.642 -12.228 1.00 0.00 H new ATOM 1026 N LYS A 67 2.274 4.106 -10.145 1.00 0.00 N ATOM 1027 CA LYS A 67 2.467 3.091 -9.118 1.00 0.00 C ATOM 1028 C LYS A 67 1.133 2.474 -8.716 1.00 0.00 C ATOM 1029 O LYS A 67 1.055 1.285 -8.405 1.00 0.00 O ATOM 1030 CB LYS A 67 3.158 3.694 -7.893 1.00 0.00 C ATOM 1031 CG LYS A 67 4.404 4.496 -8.230 1.00 0.00 C ATOM 1032 CD LYS A 67 4.762 5.463 -7.113 1.00 0.00 C ATOM 1033 CE LYS A 67 5.660 4.807 -6.077 1.00 0.00 C ATOM 1034 NZ LYS A 67 6.895 4.244 -6.689 1.00 0.00 N ATOM 0 H LYS A 67 2.419 5.064 -9.826 1.00 0.00 H new ATOM 0 HA LYS A 67 3.103 2.307 -9.529 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.452 4.338 -7.369 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.427 2.891 -7.207 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.238 3.817 -8.407 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.243 5.050 -9.155 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.264 6.335 -7.532 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.851 5.820 -6.633 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.933 5.539 -5.317 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.111 4.013 -5.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.602 4.069 -5.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.668 3.350 -7.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.279 4.920 -7.380 1.00 0.00 H new ATOM 1048 N LEU A 68 0.084 3.291 -8.732 1.00 0.00 N ATOM 1049 CA LEU A 68 -1.251 2.827 -8.374 1.00 0.00 C ATOM 1050 C LEU A 68 -1.871 2.024 -9.515 1.00 0.00 C ATOM 1051 O LEU A 68 -2.772 1.215 -9.297 1.00 0.00 O ATOM 1052 CB LEU A 68 -2.151 4.014 -8.026 1.00 0.00 C ATOM 1053 CG LEU A 68 -3.562 3.642 -7.565 1.00 0.00 C ATOM 1054 CD1 LEU A 68 -4.035 4.588 -6.472 1.00 0.00 C ATOM 1055 CD2 LEU A 68 -4.527 3.659 -8.740 1.00 0.00 C ATOM 0 H LEU A 68 0.133 4.277 -8.989 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.161 2.179 -7.502 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.670 4.597 -7.241 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.229 4.660 -8.900 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.535 2.632 -7.155 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.040 4.307 -6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.358 4.527 -5.620 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.046 5.609 -6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.526 3.392 -8.394 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.549 4.657 -9.178 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.199 2.940 -9.491 1.00 0.00 H new ATOM 1067 N ALA A 69 -1.381 2.251 -10.731 1.00 0.00 N ATOM 1068 CA ALA A 69 -1.888 1.547 -11.903 1.00 0.00 C ATOM 1069 C ALA A 69 -1.810 0.035 -11.714 1.00 0.00 C ATOM 1070 O ALA A 69 -2.578 -0.716 -12.316 1.00 0.00 O ATOM 1071 CB ALA A 69 -1.114 1.966 -13.144 1.00 0.00 C ATOM 0 H ALA A 69 -0.634 2.917 -10.929 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.936 1.816 -12.032 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.502 1.433 -14.012 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.226 3.039 -13.297 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.059 1.726 -13.013 1.00 0.00 H new ATOM 1077 N ASP A 70 -0.879 -0.406 -10.873 1.00 0.00 N ATOM 1078 CA ASP A 70 -0.703 -1.828 -10.604 1.00 0.00 C ATOM 1079 C ASP A 70 -1.111 -2.164 -9.172 1.00 0.00 C ATOM 1080 O ASP A 70 -1.651 -3.238 -8.909 1.00 0.00 O ATOM 1081 CB ASP A 70 0.752 -2.232 -10.847 1.00 0.00 C ATOM 1082 CG ASP A 70 0.869 -3.552 -11.583 1.00 0.00 C ATOM 1083 OD1 ASP A 70 0.123 -4.492 -11.237 1.00 0.00 O ATOM 1084 OD2 ASP A 70 1.708 -3.646 -12.504 1.00 0.00 O ATOM 0 H ASP A 70 -0.235 0.202 -10.366 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.346 -2.388 -11.283 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.252 -1.453 -11.422 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.271 -2.305 -9.891 1.00 0.00 H new ATOM 1089 N PHE A 71 -0.856 -1.229 -8.256 1.00 0.00 N ATOM 1090 CA PHE A 71 -1.197 -1.395 -6.841 1.00 0.00 C ATOM 1091 C PHE A 71 -0.931 -2.825 -6.349 1.00 0.00 C ATOM 1092 O PHE A 71 0.166 -3.131 -5.883 1.00 0.00 O ATOM 1093 CB PHE A 71 -2.658 -0.997 -6.601 1.00 0.00 C ATOM 1094 CG PHE A 71 -3.048 -0.958 -5.151 1.00 0.00 C ATOM 1095 CD1 PHE A 71 -2.187 -0.427 -4.202 1.00 0.00 C ATOM 1096 CD2 PHE A 71 -4.277 -1.448 -4.736 1.00 0.00 C ATOM 1097 CE1 PHE A 71 -2.545 -0.387 -2.868 1.00 0.00 C ATOM 1098 CE2 PHE A 71 -4.639 -1.410 -3.403 1.00 0.00 C ATOM 1099 CZ PHE A 71 -3.772 -0.878 -2.468 1.00 0.00 C ATOM 0 H PHE A 71 -0.409 -0.338 -8.472 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.550 -0.735 -6.263 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.834 -0.015 -7.041 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.306 -1.701 -7.123 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.226 -0.041 -4.509 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.959 -1.864 -5.463 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.865 0.028 -2.138 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.599 -1.796 -3.092 1.00 0.00 H new ATOM 0 HZ PHE A 71 -4.054 -0.846 -1.426 1.00 0.00 H new ATOM 1109 N ALA A 72 -1.935 -3.694 -6.452 1.00 0.00 N ATOM 1110 CA ALA A 72 -1.796 -5.079 -6.015 1.00 0.00 C ATOM 1111 C ALA A 72 -1.094 -5.921 -7.076 1.00 0.00 C ATOM 1112 O ALA A 72 -1.715 -6.761 -7.728 1.00 0.00 O ATOM 1113 CB ALA A 72 -3.162 -5.669 -5.695 1.00 0.00 C ATOM 0 H ALA A 72 -2.852 -3.462 -6.834 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.184 -5.090 -5.113 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.045 -6.703 -5.370 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.631 -5.090 -4.900 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.790 -5.638 -6.586 1.00 0.00 H new ATOM 1119 N VAL A 73 0.202 -5.688 -7.247 1.00 0.00 N ATOM 1120 CA VAL A 73 0.987 -6.424 -8.230 1.00 0.00 C ATOM 1121 C VAL A 73 1.155 -7.884 -7.824 1.00 0.00 C ATOM 1122 O VAL A 73 1.364 -8.192 -6.650 1.00 0.00 O ATOM 1123 CB VAL A 73 2.379 -5.793 -8.425 1.00 0.00 C ATOM 1124 CG1 VAL A 73 2.260 -4.433 -9.098 1.00 0.00 C ATOM 1125 CG2 VAL A 73 3.106 -5.678 -7.095 1.00 0.00 C ATOM 0 H VAL A 73 0.731 -4.995 -6.718 1.00 0.00 H new ATOM 0 HA VAL A 73 0.438 -6.374 -9.170 1.00 0.00 H new ATOM 0 HB VAL A 73 2.964 -6.443 -9.075 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.253 -4.003 -9.227 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.785 -4.549 -10.072 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.656 -3.771 -8.477 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.087 -5.230 -7.254 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.527 -5.052 -6.417 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.226 -6.670 -6.659 1.00 0.00 H new ATOM 1135 N GLU A 74 1.061 -8.779 -8.801 1.00 0.00 N ATOM 1136 CA GLU A 74 1.200 -10.208 -8.548 1.00 0.00 C ATOM 1137 C GLU A 74 2.670 -10.609 -8.469 1.00 0.00 C ATOM 1138 O GLU A 74 3.283 -10.962 -9.476 1.00 0.00 O ATOM 1139 CB GLU A 74 0.498 -11.015 -9.642 1.00 0.00 C ATOM 1140 CG GLU A 74 0.832 -10.554 -11.051 1.00 0.00 C ATOM 1141 CD GLU A 74 0.533 -11.610 -12.097 1.00 0.00 C ATOM 1142 OE1 GLU A 74 -0.609 -11.639 -12.601 1.00 0.00 O ATOM 1143 OE2 GLU A 74 1.440 -12.408 -12.412 1.00 0.00 O ATOM 0 H GLU A 74 0.889 -8.539 -9.777 1.00 0.00 H new ATOM 0 HA GLU A 74 0.731 -10.426 -7.589 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.771 -12.065 -9.538 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.580 -10.950 -9.494 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.264 -9.652 -11.278 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.888 -10.287 -11.101 1.00 0.00 H new ATOM 1150 N GLN A 75 3.228 -10.553 -7.264 1.00 0.00 N ATOM 1151 CA GLN A 75 4.626 -10.912 -7.051 1.00 0.00 C ATOM 1152 C GLN A 75 4.872 -11.302 -5.597 1.00 0.00 C ATOM 1153 O GLN A 75 4.090 -10.957 -4.711 1.00 0.00 O ATOM 1154 CB GLN A 75 5.545 -9.753 -7.445 1.00 0.00 C ATOM 1155 CG GLN A 75 5.026 -8.389 -7.021 1.00 0.00 C ATOM 1156 CD GLN A 75 5.900 -7.253 -7.513 1.00 0.00 C ATOM 1157 OE1 GLN A 75 6.334 -7.242 -8.665 1.00 0.00 O ATOM 1158 NE2 GLN A 75 6.166 -6.289 -6.639 1.00 0.00 N ATOM 0 H GLN A 75 2.734 -10.263 -6.420 1.00 0.00 H new ATOM 0 HA GLN A 75 4.852 -11.771 -7.683 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.527 -9.912 -7.000 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.680 -9.760 -8.527 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.014 -8.255 -7.403 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.964 -8.350 -5.933 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.785 -6.338 -5.694 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.751 -5.499 -6.913 1.00 0.00 H new ATOM 1167 N GLU A 76 5.961 -12.026 -5.361 1.00 0.00 N ATOM 1168 CA GLU A 76 6.309 -12.468 -4.015 1.00 0.00 C ATOM 1169 C GLU A 76 6.960 -11.344 -3.218 1.00 0.00 C ATOM 1170 O GLU A 76 7.779 -10.590 -3.744 1.00 0.00 O ATOM 1171 CB GLU A 76 7.254 -13.669 -4.079 1.00 0.00 C ATOM 1172 CG GLU A 76 8.485 -13.431 -4.938 1.00 0.00 C ATOM 1173 CD GLU A 76 8.329 -13.974 -6.345 1.00 0.00 C ATOM 1174 OE1 GLU A 76 7.822 -15.105 -6.492 1.00 0.00 O ATOM 1175 OE2 GLU A 76 8.714 -13.266 -7.300 1.00 0.00 O ATOM 0 H GLU A 76 6.618 -12.319 -6.084 1.00 0.00 H new ATOM 0 HA GLU A 76 5.388 -12.760 -3.511 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.571 -13.925 -3.068 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.709 -14.529 -4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.688 -12.361 -4.986 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.349 -13.899 -4.466 1.00 0.00 H new ATOM 1182 N VAL A 77 6.600 -11.247 -1.943 1.00 0.00 N ATOM 1183 CA VAL A 77 7.160 -10.224 -1.069 1.00 0.00 C ATOM 1184 C VAL A 77 8.522 -10.659 -0.549 1.00 0.00 C ATOM 1185 O VAL A 77 8.858 -11.844 -0.577 1.00 0.00 O ATOM 1186 CB VAL A 77 6.232 -9.928 0.124 1.00 0.00 C ATOM 1187 CG1 VAL A 77 6.726 -8.714 0.896 1.00 0.00 C ATOM 1188 CG2 VAL A 77 4.802 -9.720 -0.350 1.00 0.00 C ATOM 0 H VAL A 77 5.924 -11.864 -1.493 1.00 0.00 H new ATOM 0 HA VAL A 77 7.265 -9.314 -1.660 1.00 0.00 H new ATOM 0 HB VAL A 77 6.247 -10.788 0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.058 -8.520 1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.732 -8.905 1.270 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.742 -7.846 0.237 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.161 -9.512 0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.767 -8.879 -1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.452 -10.620 -0.855 1.00 0.00 H new ATOM 1198 N THR A 78 9.312 -9.698 -0.089 1.00 0.00 N ATOM 1199 CA THR A 78 10.643 -9.993 0.418 1.00 0.00 C ATOM 1200 C THR A 78 10.986 -9.124 1.620 1.00 0.00 C ATOM 1201 O THR A 78 10.377 -8.076 1.834 1.00 0.00 O ATOM 1202 CB THR A 78 11.679 -9.781 -0.684 1.00 0.00 C ATOM 1203 OG1 THR A 78 11.061 -9.753 -1.959 1.00 0.00 O ATOM 1204 CG2 THR A 78 12.736 -10.854 -0.712 1.00 0.00 C ATOM 0 H THR A 78 9.055 -8.712 -0.057 1.00 0.00 H new ATOM 0 HA THR A 78 10.656 -11.035 0.738 1.00 0.00 H new ATOM 0 HB THR A 78 12.153 -8.826 -0.458 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.715 -8.853 -2.135 1.00 0.00 H new ATOM 0 HG21 THR A 78 13.443 -10.648 -1.516 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.265 -10.869 0.241 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.266 -11.823 -0.881 1.00 0.00 H new ATOM 1212 N ALA A 79 11.975 -9.560 2.399 1.00 0.00 N ATOM 1213 CA ALA A 79 12.399 -8.807 3.569 1.00 0.00 C ATOM 1214 C ALA A 79 12.909 -7.436 3.154 1.00 0.00 C ATOM 1215 O ALA A 79 13.488 -7.277 2.080 1.00 0.00 O ATOM 1216 CB ALA A 79 13.459 -9.562 4.348 1.00 0.00 C ATOM 0 H ALA A 79 12.492 -10.425 2.240 1.00 0.00 H new ATOM 0 HA ALA A 79 11.537 -8.675 4.223 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.758 -8.976 5.217 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.056 -10.520 4.677 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.326 -9.733 3.710 1.00 0.00 H new ATOM 1222 N GLY A 80 12.663 -6.443 3.995 1.00 0.00 N ATOM 1223 CA GLY A 80 13.077 -5.091 3.679 1.00 0.00 C ATOM 1224 C GLY A 80 11.952 -4.320 3.024 1.00 0.00 C ATOM 1225 O GLY A 80 11.832 -3.107 3.195 1.00 0.00 O ATOM 0 H GLY A 80 12.185 -6.548 4.890 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.391 -4.581 4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.940 -5.117 3.014 1.00 0.00 H new ATOM 1229 N ASP A 81 11.109 -5.041 2.285 1.00 0.00 N ATOM 1230 CA ASP A 81 9.966 -4.438 1.615 1.00 0.00 C ATOM 1231 C ASP A 81 8.821 -4.262 2.610 1.00 0.00 C ATOM 1232 O ASP A 81 9.049 -4.224 3.819 1.00 0.00 O ATOM 1233 CB ASP A 81 9.525 -5.314 0.440 1.00 0.00 C ATOM 1234 CG ASP A 81 10.682 -5.694 -0.464 1.00 0.00 C ATOM 1235 OD1 ASP A 81 11.578 -4.848 -0.666 1.00 0.00 O ATOM 1236 OD2 ASP A 81 10.690 -6.836 -0.969 1.00 0.00 O ATOM 0 H ASP A 81 11.200 -6.046 2.137 1.00 0.00 H new ATOM 0 HA ASP A 81 10.250 -3.459 1.228 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.054 -6.219 0.822 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.771 -4.784 -0.142 1.00 0.00 H new ATOM 1241 N ARG A 82 7.594 -4.155 2.110 1.00 0.00 N ATOM 1242 CA ARG A 82 6.441 -3.987 2.985 1.00 0.00 C ATOM 1243 C ARG A 82 5.164 -4.491 2.327 1.00 0.00 C ATOM 1244 O ARG A 82 5.069 -4.576 1.103 1.00 0.00 O ATOM 1245 CB ARG A 82 6.275 -2.515 3.369 1.00 0.00 C ATOM 1246 CG ARG A 82 6.984 -2.135 4.657 1.00 0.00 C ATOM 1247 CD ARG A 82 8.341 -1.508 4.385 1.00 0.00 C ATOM 1248 NE ARG A 82 8.297 -0.050 4.466 1.00 0.00 N ATOM 1249 CZ ARG A 82 9.371 0.716 4.643 1.00 0.00 C ATOM 1250 NH1 ARG A 82 10.575 0.169 4.756 1.00 0.00 N ATOM 1251 NH2 ARG A 82 9.242 2.034 4.707 1.00 0.00 N ATOM 0 H ARG A 82 7.374 -4.181 1.114 1.00 0.00 H new ATOM 0 HA ARG A 82 6.620 -4.579 3.883 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.655 -1.893 2.559 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.213 -2.293 3.471 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.366 -1.436 5.220 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.110 -3.021 5.279 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.067 -1.889 5.103 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.686 -1.806 3.395 1.00 0.00 H new ATOM 0 HE ARG A 82 7.390 0.408 4.382 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.681 -0.844 4.707 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.394 0.762 4.891 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.320 2.461 4.621 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.065 2.621 4.843 1.00 0.00 H new ATOM 1265 N VAL A 83 4.180 -4.813 3.157 1.00 0.00 N ATOM 1266 CA VAL A 83 2.893 -5.297 2.678 1.00 0.00 C ATOM 1267 C VAL A 83 1.775 -4.367 3.135 1.00 0.00 C ATOM 1268 O VAL A 83 1.556 -4.190 4.333 1.00 0.00 O ATOM 1269 CB VAL A 83 2.606 -6.723 3.184 1.00 0.00 C ATOM 1270 CG1 VAL A 83 1.294 -7.244 2.615 1.00 0.00 C ATOM 1271 CG2 VAL A 83 3.754 -7.657 2.831 1.00 0.00 C ATOM 0 H VAL A 83 4.251 -4.747 4.172 1.00 0.00 H new ATOM 0 HA VAL A 83 2.934 -5.316 1.589 1.00 0.00 H new ATOM 0 HB VAL A 83 2.514 -6.688 4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.112 -8.253 2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.478 -6.591 2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.351 -7.262 1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.533 -8.660 3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.880 -7.685 1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.672 -7.296 3.294 1.00 0.00 H new ATOM 1281 N VAL A 84 1.073 -3.771 2.178 1.00 0.00 N ATOM 1282 CA VAL A 84 -0.013 -2.854 2.496 1.00 0.00 C ATOM 1283 C VAL A 84 -1.355 -3.586 2.538 1.00 0.00 C ATOM 1284 O VAL A 84 -1.834 -4.092 1.524 1.00 0.00 O ATOM 1285 CB VAL A 84 -0.070 -1.682 1.489 1.00 0.00 C ATOM 1286 CG1 VAL A 84 -0.635 -2.121 0.155 1.00 0.00 C ATOM 1287 CG2 VAL A 84 -0.868 -0.520 2.060 1.00 0.00 C ATOM 0 H VAL A 84 1.236 -3.906 1.180 1.00 0.00 H new ATOM 0 HA VAL A 84 0.185 -2.442 3.486 1.00 0.00 H new ATOM 0 HB VAL A 84 0.952 -1.345 1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.660 -1.271 -0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.006 -2.906 -0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.646 -2.503 0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.895 0.294 1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.885 -0.848 2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.397 -0.172 2.979 1.00 0.00 H new ATOM 1297 N VAL A 85 -1.947 -3.650 3.727 1.00 0.00 N ATOM 1298 CA VAL A 85 -3.224 -4.330 3.915 1.00 0.00 C ATOM 1299 C VAL A 85 -4.395 -3.356 3.790 1.00 0.00 C ATOM 1300 O VAL A 85 -4.537 -2.431 4.590 1.00 0.00 O ATOM 1301 CB VAL A 85 -3.276 -5.035 5.286 1.00 0.00 C ATOM 1302 CG1 VAL A 85 -4.460 -5.982 5.364 1.00 0.00 C ATOM 1303 CG2 VAL A 85 -1.978 -5.787 5.547 1.00 0.00 C ATOM 0 H VAL A 85 -1.561 -3.238 4.577 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.311 -5.080 3.129 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.399 -4.272 6.055 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.475 -6.467 6.340 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.384 -5.421 5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.373 -6.739 4.584 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.031 -6.279 6.518 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.829 -6.536 4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.144 -5.086 5.541 1.00 0.00 H new ATOM 1313 N ILE A 86 -5.224 -3.570 2.770 1.00 0.00 N ATOM 1314 CA ILE A 86 -6.383 -2.714 2.517 1.00 0.00 C ATOM 1315 C ILE A 86 -7.300 -2.616 3.735 1.00 0.00 C ATOM 1316 O ILE A 86 -8.076 -1.669 3.858 1.00 0.00 O ATOM 1317 CB ILE A 86 -7.201 -3.223 1.314 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -7.613 -4.680 1.535 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -6.398 -3.074 0.027 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -8.241 -5.332 0.321 1.00 0.00 C ATOM 0 H ILE A 86 -5.114 -4.333 2.102 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.988 -1.722 2.296 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.105 -2.622 1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.735 -5.255 1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.318 -4.726 2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -6.988 -3.437 -0.814 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.152 -2.024 -0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.478 -3.654 0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -8.505 -6.363 0.557 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -9.139 -4.783 0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -7.531 -5.320 -0.506 1.00 0.00 H new ATOM 1332 N ASP A 87 -7.204 -3.588 4.635 1.00 0.00 N ATOM 1333 CA ASP A 87 -8.020 -3.592 5.842 1.00 0.00 C ATOM 1334 C ASP A 87 -7.223 -3.024 7.007 1.00 0.00 C ATOM 1335 O ASP A 87 -7.724 -2.212 7.781 1.00 0.00 O ATOM 1336 CB ASP A 87 -8.488 -5.012 6.168 1.00 0.00 C ATOM 1337 CG ASP A 87 -9.910 -5.046 6.690 1.00 0.00 C ATOM 1338 OD1 ASP A 87 -10.298 -4.111 7.420 1.00 0.00 O ATOM 1339 OD2 ASP A 87 -10.637 -6.010 6.366 1.00 0.00 O ATOM 0 H ASP A 87 -6.570 -4.382 4.551 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.898 -2.969 5.672 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.418 -5.629 5.272 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.821 -5.450 6.910 1.00 0.00 H new ATOM 1344 N GLY A 88 -5.972 -3.453 7.110 1.00 0.00 N ATOM 1345 CA GLY A 88 -5.096 -2.978 8.162 1.00 0.00 C ATOM 1346 C GLY A 88 -4.311 -4.105 8.802 1.00 0.00 C ATOM 1347 O GLY A 88 -4.368 -5.245 8.344 1.00 0.00 O ATOM 0 H GLY A 88 -5.545 -4.129 6.476 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.404 -2.242 7.752 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.687 -2.470 8.924 1.00 0.00 H new ATOM 1351 N LEU A 89 -3.583 -3.795 9.868 1.00 0.00 N ATOM 1352 CA LEU A 89 -2.797 -4.803 10.569 1.00 0.00 C ATOM 1353 C LEU A 89 -2.098 -4.199 11.784 1.00 0.00 C ATOM 1354 O LEU A 89 -1.129 -3.452 11.650 1.00 0.00 O ATOM 1355 CB LEU A 89 -1.771 -5.433 9.618 1.00 0.00 C ATOM 1356 CG LEU A 89 -2.045 -6.886 9.225 1.00 0.00 C ATOM 1357 CD1 LEU A 89 -0.844 -7.477 8.504 1.00 0.00 C ATOM 1358 CD2 LEU A 89 -2.391 -7.720 10.449 1.00 0.00 C ATOM 0 H LEU A 89 -3.520 -2.857 10.265 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.474 -5.582 10.920 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.725 -4.831 8.710 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.788 -5.380 10.085 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.899 -6.901 8.548 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.056 -8.511 8.232 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.640 -6.899 7.603 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.026 -7.446 9.160 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.582 -8.749 10.146 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.558 -7.697 11.152 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.281 -7.312 10.928 1.00 0.00 H new ATOM 1370 N ASP A 90 -2.598 -4.526 12.969 1.00 0.00 N ATOM 1371 CA ASP A 90 -2.026 -4.013 14.209 1.00 0.00 C ATOM 1372 C ASP A 90 -1.426 -5.141 15.041 1.00 0.00 C ATOM 1373 O ASP A 90 -1.610 -5.195 16.258 1.00 0.00 O ATOM 1374 CB ASP A 90 -3.094 -3.276 15.019 1.00 0.00 C ATOM 1375 CG ASP A 90 -2.509 -2.171 15.876 1.00 0.00 C ATOM 1376 OD1 ASP A 90 -1.389 -1.711 15.570 1.00 0.00 O ATOM 1377 OD2 ASP A 90 -3.171 -1.765 16.855 1.00 0.00 O ATOM 0 H ASP A 90 -3.399 -5.144 13.098 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.229 -3.316 13.951 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.833 -2.852 14.339 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.618 -3.988 15.657 1.00 0.00 H new ATOM 1382 N ARG A 91 -0.705 -6.039 14.379 1.00 0.00 N ATOM 1383 CA ARG A 91 -0.075 -7.165 15.059 1.00 0.00 C ATOM 1384 C ARG A 91 0.745 -7.998 14.080 1.00 0.00 C ATOM 1385 O ARG A 91 0.481 -8.001 12.878 1.00 0.00 O ATOM 1386 CB ARG A 91 -1.133 -8.040 15.732 1.00 0.00 C ATOM 1387 CG ARG A 91 -2.092 -8.699 14.753 1.00 0.00 C ATOM 1388 CD ARG A 91 -3.343 -7.860 14.544 1.00 0.00 C ATOM 1389 NE ARG A 91 -4.530 -8.495 15.111 1.00 0.00 N ATOM 1390 CZ ARG A 91 -5.677 -7.857 15.333 1.00 0.00 C ATOM 1391 NH1 ARG A 91 -5.797 -6.569 15.036 1.00 0.00 N ATOM 1392 NH2 ARG A 91 -6.708 -8.511 15.852 1.00 0.00 N ATOM 0 H ARG A 91 -0.542 -6.009 13.373 1.00 0.00 H new ATOM 0 HA ARG A 91 0.595 -6.769 15.822 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -0.634 -8.814 16.316 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.704 -7.431 16.432 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.590 -8.850 13.797 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.372 -9.685 15.125 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.203 -6.880 15.001 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.495 -7.695 13.477 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.477 -9.485 15.351 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.008 -6.062 14.635 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.679 -6.086 15.208 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.621 -9.501 16.080 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.588 -8.024 16.023 1.00 0.00 H new ATOM 1406 N MET A 92 1.740 -8.706 14.604 1.00 0.00 N ATOM 1407 CA MET A 92 2.597 -9.544 13.776 1.00 0.00 C ATOM 1408 C MET A 92 1.781 -10.610 13.052 1.00 0.00 C ATOM 1409 O MET A 92 0.892 -11.228 13.638 1.00 0.00 O ATOM 1410 CB MET A 92 3.679 -10.207 14.631 1.00 0.00 C ATOM 1411 CG MET A 92 4.853 -10.734 13.824 1.00 0.00 C ATOM 1412 SD MET A 92 6.027 -11.661 14.830 1.00 0.00 S ATOM 1413 CE MET A 92 7.111 -10.348 15.383 1.00 0.00 C ATOM 0 H MET A 92 1.972 -8.716 15.597 1.00 0.00 H new ATOM 0 HA MET A 92 3.073 -8.907 13.030 1.00 0.00 H new ATOM 0 HB2 MET A 92 4.046 -9.486 15.362 1.00 0.00 H new ATOM 0 HB3 MET A 92 3.235 -11.030 15.191 1.00 0.00 H new ATOM 0 HG2 MET A 92 4.481 -11.374 13.024 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.367 -9.898 13.350 1.00 0.00 H new ATOM 0 HE1 MET A 92 7.893 -10.765 16.018 1.00 0.00 H new ATOM 0 HE2 MET A 92 7.565 -9.863 14.519 1.00 0.00 H new ATOM 0 HE3 MET A 92 6.536 -9.615 15.949 1.00 0.00 H new ATOM 1423 N ALA A 93 2.086 -10.817 11.775 1.00 0.00 N ATOM 1424 CA ALA A 93 1.378 -11.807 10.972 1.00 0.00 C ATOM 1425 C ALA A 93 2.300 -12.428 9.928 1.00 0.00 C ATOM 1426 O ALA A 93 2.903 -11.721 9.121 1.00 0.00 O ATOM 1427 CB ALA A 93 0.171 -11.171 10.299 1.00 0.00 C ATOM 0 H ALA A 93 2.818 -10.313 11.275 1.00 0.00 H new ATOM 0 HA ALA A 93 1.036 -12.601 11.636 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.350 -11.920 9.702 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.505 -10.779 11.059 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.501 -10.358 9.653 1.00 0.00 H new ATOM 1433 N HIS A 94 2.402 -13.752 9.949 1.00 0.00 N ATOM 1434 CA HIS A 94 3.250 -14.465 9.000 1.00 0.00 C ATOM 1435 C HIS A 94 2.729 -14.303 7.580 1.00 0.00 C ATOM 1436 O HIS A 94 1.535 -14.095 7.365 1.00 0.00 O ATOM 1437 CB HIS A 94 3.337 -15.945 9.361 1.00 0.00 C ATOM 1438 CG HIS A 94 4.170 -16.744 8.415 1.00 0.00 C ATOM 1439 ND1 HIS A 94 5.543 -16.652 8.367 1.00 0.00 N ATOM 1440 CD2 HIS A 94 3.821 -17.656 7.481 1.00 0.00 C ATOM 1441 CE1 HIS A 94 6.004 -17.472 7.443 1.00 0.00 C ATOM 1442 NE2 HIS A 94 4.979 -18.095 6.889 1.00 0.00 N ATOM 0 H HIS A 94 1.910 -14.352 10.611 1.00 0.00 H new ATOM 0 HA HIS A 94 4.249 -14.033 9.053 1.00 0.00 H new ATOM 0 HB2 HIS A 94 3.749 -16.042 10.365 1.00 0.00 H new ATOM 0 HB3 HIS A 94 2.331 -16.363 9.388 1.00 0.00 H new ATOM 0 HD1 HIS A 94 6.114 -16.044 8.954 1.00 0.00 H new ATOM 0 HD2 HIS A 94 2.818 -17.979 7.244 1.00 0.00 H new ATOM 0 HE1 HIS A 94 7.043 -17.611 7.183 1.00 0.00 H new ATOM 1451 N PHE A 95 3.634 -14.387 6.613 1.00 0.00 N ATOM 1452 CA PHE A 95 3.263 -14.237 5.214 1.00 0.00 C ATOM 1453 C PHE A 95 3.640 -15.466 4.389 1.00 0.00 C ATOM 1454 O PHE A 95 2.926 -15.828 3.455 1.00 0.00 O ATOM 1455 CB PHE A 95 3.933 -12.994 4.626 1.00 0.00 C ATOM 1456 CG PHE A 95 3.355 -12.568 3.306 1.00 0.00 C ATOM 1457 CD1 PHE A 95 2.054 -12.096 3.225 1.00 0.00 C ATOM 1458 CD2 PHE A 95 4.112 -12.639 2.148 1.00 0.00 C ATOM 1459 CE1 PHE A 95 1.520 -11.703 2.012 1.00 0.00 C ATOM 1460 CE2 PHE A 95 3.583 -12.248 0.933 1.00 0.00 C ATOM 1461 CZ PHE A 95 2.286 -11.778 0.865 1.00 0.00 C ATOM 0 H PHE A 95 4.627 -14.558 6.772 1.00 0.00 H new ATOM 0 HA PHE A 95 2.179 -14.127 5.171 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.842 -12.172 5.336 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.998 -13.190 4.501 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.451 -12.035 4.119 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.127 -13.004 2.195 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.505 -11.338 1.961 1.00 0.00 H new ATOM 0 HE2 PHE A 95 4.183 -12.310 0.037 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.871 -11.470 -0.083 1.00 0.00 H new ATOM 1471 N LYS A 96 4.761 -16.107 4.722 1.00 0.00 N ATOM 1472 CA LYS A 96 5.197 -17.289 3.976 1.00 0.00 C ATOM 1473 C LYS A 96 6.514 -17.837 4.511 1.00 0.00 C ATOM 1474 O LYS A 96 7.320 -17.095 5.070 1.00 0.00 O ATOM 1475 CB LYS A 96 5.347 -16.953 2.490 1.00 0.00 C ATOM 1476 CG LYS A 96 6.178 -15.707 2.229 1.00 0.00 C ATOM 1477 CD LYS A 96 6.052 -15.244 0.787 1.00 0.00 C ATOM 1478 CE LYS A 96 7.260 -15.657 -0.041 1.00 0.00 C ATOM 1479 NZ LYS A 96 6.864 -16.398 -1.271 1.00 0.00 N ATOM 0 H LYS A 96 5.375 -15.834 5.490 1.00 0.00 H new ATOM 0 HA LYS A 96 4.433 -18.056 4.102 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.806 -17.799 1.979 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.357 -16.817 2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.857 -14.908 2.898 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.224 -15.912 2.456 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.148 -15.664 0.347 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.945 -14.160 0.760 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.830 -14.770 -0.319 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.918 -16.282 0.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.715 -16.661 -1.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.342 -17.258 -1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.257 -15.793 -1.860 1.00 0.00 H new ATOM 1493 N ASP A 97 6.729 -19.140 4.318 1.00 0.00 N ATOM 1494 CA ASP A 97 7.953 -19.805 4.767 1.00 0.00 C ATOM 1495 C ASP A 97 8.324 -19.376 6.186 1.00 0.00 C ATOM 1496 O ASP A 97 7.930 -20.021 7.158 1.00 0.00 O ATOM 1497 CB ASP A 97 9.102 -19.514 3.794 1.00 0.00 C ATOM 1498 CG ASP A 97 10.418 -20.117 4.250 1.00 0.00 C ATOM 1499 OD1 ASP A 97 10.417 -21.290 4.679 1.00 0.00 O ATOM 1500 OD2 ASP A 97 11.449 -19.414 4.178 1.00 0.00 O ATOM 0 H ASP A 97 6.066 -19.759 3.851 1.00 0.00 H new ATOM 0 HA ASP A 97 7.772 -20.880 4.782 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.848 -19.907 2.809 1.00 0.00 H new ATOM 0 HB3 ASP A 97 9.218 -18.436 3.687 1.00 0.00 H new ATOM 1505 N ASP A 98 9.071 -18.281 6.304 1.00 0.00 N ATOM 1506 CA ASP A 98 9.470 -17.773 7.609 1.00 0.00 C ATOM 1507 C ASP A 98 9.445 -16.247 7.646 1.00 0.00 C ATOM 1508 O ASP A 98 9.965 -15.635 8.579 1.00 0.00 O ATOM 1509 CB ASP A 98 10.864 -18.286 7.979 1.00 0.00 C ATOM 1510 CG ASP A 98 11.010 -19.778 7.756 1.00 0.00 C ATOM 1511 OD1 ASP A 98 10.508 -20.555 8.595 1.00 0.00 O ATOM 1512 OD2 ASP A 98 11.625 -20.170 6.743 1.00 0.00 O ATOM 0 H ASP A 98 9.410 -17.732 5.514 1.00 0.00 H new ATOM 0 HA ASP A 98 8.750 -18.139 8.341 1.00 0.00 H new ATOM 0 HB2 ASP A 98 11.611 -17.758 7.386 1.00 0.00 H new ATOM 0 HB3 ASP A 98 11.067 -18.056 9.025 1.00 0.00 H new ATOM 1517 N LEU A 99 8.828 -15.634 6.638 1.00 0.00 N ATOM 1518 CA LEU A 99 8.729 -14.181 6.577 1.00 0.00 C ATOM 1519 C LEU A 99 7.483 -13.710 7.312 1.00 0.00 C ATOM 1520 O LEU A 99 6.365 -14.088 6.962 1.00 0.00 O ATOM 1521 CB LEU A 99 8.693 -13.707 5.122 1.00 0.00 C ATOM 1522 CG LEU A 99 10.034 -13.758 4.389 1.00 0.00 C ATOM 1523 CD1 LEU A 99 9.909 -13.129 3.011 1.00 0.00 C ATOM 1524 CD2 LEU A 99 11.114 -13.056 5.200 1.00 0.00 C ATOM 0 H LEU A 99 8.391 -16.121 5.855 1.00 0.00 H new ATOM 0 HA LEU A 99 9.608 -13.753 7.060 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.974 -14.317 4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 99 8.323 -12.682 5.099 1.00 0.00 H new ATOM 0 HG LEU A 99 10.321 -14.802 4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 99 10.872 -13.173 2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.166 -13.673 2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.600 -12.089 3.113 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.061 -13.103 4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 99 10.834 -12.014 5.353 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.221 -13.548 6.167 1.00 0.00 H new ATOM 1536 N VAL A 100 7.680 -12.895 8.338 1.00 0.00 N ATOM 1537 CA VAL A 100 6.567 -12.387 9.128 1.00 0.00 C ATOM 1538 C VAL A 100 6.417 -10.875 8.973 1.00 0.00 C ATOM 1539 O VAL A 100 7.405 -10.144 8.905 1.00 0.00 O ATOM 1540 CB VAL A 100 6.731 -12.769 10.621 1.00 0.00 C ATOM 1541 CG1 VAL A 100 7.032 -11.551 11.489 1.00 0.00 C ATOM 1542 CG2 VAL A 100 5.492 -13.497 11.121 1.00 0.00 C ATOM 0 H VAL A 100 8.598 -12.572 8.643 1.00 0.00 H new ATOM 0 HA VAL A 100 5.656 -12.853 8.751 1.00 0.00 H new ATOM 0 HB VAL A 100 7.587 -13.440 10.699 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.140 -11.862 12.528 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.958 -11.084 11.152 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.214 -10.835 11.408 1.00 0.00 H new ATOM 0 HG21 VAL A 100 5.623 -13.759 12.171 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.622 -12.850 11.014 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.343 -14.405 10.537 1.00 0.00 H new ATOM 1552 N LEU A 101 5.171 -10.419 8.914 1.00 0.00 N ATOM 1553 CA LEU A 101 4.879 -8.999 8.762 1.00 0.00 C ATOM 1554 C LEU A 101 4.542 -8.360 10.107 1.00 0.00 C ATOM 1555 O LEU A 101 3.706 -8.868 10.854 1.00 0.00 O ATOM 1556 CB LEU A 101 3.716 -8.803 7.788 1.00 0.00 C ATOM 1557 CG LEU A 101 3.810 -9.612 6.495 1.00 0.00 C ATOM 1558 CD1 LEU A 101 2.543 -9.449 5.669 1.00 0.00 C ATOM 1559 CD2 LEU A 101 5.030 -9.189 5.692 1.00 0.00 C ATOM 0 H LEU A 101 4.345 -11.014 8.969 1.00 0.00 H new ATOM 0 HA LEU A 101 5.769 -8.512 8.365 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.788 -9.066 8.296 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.651 -7.745 7.533 1.00 0.00 H new ATOM 0 HG LEU A 101 3.916 -10.665 6.754 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.629 -10.032 4.752 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.686 -9.800 6.244 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.405 -8.397 5.418 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.082 -9.775 4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.953 -8.131 5.443 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.931 -9.358 6.282 1.00 0.00 H new ATOM 1571 N VAL A 102 5.197 -7.243 10.406 1.00 0.00 N ATOM 1572 CA VAL A 102 4.967 -6.530 11.657 1.00 0.00 C ATOM 1573 C VAL A 102 4.376 -5.145 11.396 1.00 0.00 C ATOM 1574 O VAL A 102 4.807 -4.445 10.479 1.00 0.00 O ATOM 1575 CB VAL A 102 6.275 -6.372 12.459 1.00 0.00 C ATOM 1576 CG1 VAL A 102 5.994 -5.781 13.833 1.00 0.00 C ATOM 1577 CG2 VAL A 102 6.991 -7.709 12.582 1.00 0.00 C ATOM 0 H VAL A 102 5.893 -6.811 9.798 1.00 0.00 H new ATOM 0 HA VAL A 102 4.260 -7.123 12.238 1.00 0.00 H new ATOM 0 HB VAL A 102 6.927 -5.684 11.921 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.929 -5.678 14.383 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.530 -4.801 13.720 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.321 -6.440 14.382 1.00 0.00 H new ATOM 0 HG21 VAL A 102 7.912 -7.578 13.151 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.346 -8.422 13.096 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.230 -8.087 11.588 1.00 0.00 H new ATOM 1587 N PRO A 103 3.384 -4.721 12.200 1.00 0.00 N ATOM 1588 CA PRO A 103 2.744 -3.412 12.046 1.00 0.00 C ATOM 1589 C PRO A 103 3.767 -2.291 11.893 1.00 0.00 C ATOM 1590 O PRO A 103 4.642 -2.118 12.741 1.00 0.00 O ATOM 1591 CB PRO A 103 1.940 -3.236 13.347 1.00 0.00 C ATOM 1592 CG PRO A 103 2.340 -4.374 14.232 1.00 0.00 C ATOM 1593 CD PRO A 103 2.805 -5.471 13.320 1.00 0.00 C ATOM 0 HA PRO A 103 2.126 -3.365 11.149 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.163 -2.278 13.817 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.868 -3.253 13.149 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.134 -4.074 14.916 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.500 -4.706 14.843 1.00 0.00 H new ATOM 0 HD2 PRO A 103 3.540 -6.116 13.801 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.982 -6.110 13.000 1.00 0.00 H new ATOM 1601 N LEU A 104 3.660 -1.540 10.799 1.00 0.00 N ATOM 1602 CA LEU A 104 4.588 -0.448 10.534 1.00 0.00 C ATOM 1603 C LEU A 104 3.868 0.896 10.431 1.00 0.00 C ATOM 1604 O LEU A 104 4.249 1.860 11.095 1.00 0.00 O ATOM 1605 CB LEU A 104 5.369 -0.725 9.247 1.00 0.00 C ATOM 1606 CG LEU A 104 6.658 0.080 9.085 1.00 0.00 C ATOM 1607 CD1 LEU A 104 7.857 -0.728 9.559 1.00 0.00 C ATOM 1608 CD2 LEU A 104 6.839 0.512 7.638 1.00 0.00 C ATOM 0 H LEU A 104 2.942 -1.668 10.086 1.00 0.00 H new ATOM 0 HA LEU A 104 5.280 -0.389 11.374 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.615 -1.786 9.211 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.721 -0.519 8.395 1.00 0.00 H new ATOM 0 HG LEU A 104 6.584 0.975 9.703 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.765 -0.138 9.436 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.731 -0.984 10.611 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.935 -1.642 8.970 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.762 1.084 7.542 1.00 0.00 H new ATOM 0 HD22 LEU A 104 6.890 -0.369 6.999 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.995 1.132 7.335 1.00 0.00 H new ATOM 1620 N THR A 105 2.830 0.966 9.598 1.00 0.00 N ATOM 1621 CA THR A 105 2.085 2.211 9.431 1.00 0.00 C ATOM 1622 C THR A 105 0.630 1.958 9.060 1.00 0.00 C ATOM 1623 O THR A 105 0.337 1.300 8.065 1.00 0.00 O ATOM 1624 CB THR A 105 2.751 3.086 8.368 1.00 0.00 C ATOM 1625 OG1 THR A 105 4.160 3.060 8.508 1.00 0.00 O ATOM 1626 CG2 THR A 105 2.311 4.533 8.423 1.00 0.00 C ATOM 0 H THR A 105 2.490 0.186 9.036 1.00 0.00 H new ATOM 0 HA THR A 105 2.097 2.730 10.389 1.00 0.00 H new ATOM 0 HB THR A 105 2.441 2.665 7.412 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.568 3.624 7.818 1.00 0.00 H new ATOM 0 HG21 THR A 105 2.821 5.098 7.643 1.00 0.00 H new ATOM 0 HG22 THR A 105 1.234 4.592 8.269 1.00 0.00 H new ATOM 0 HG23 THR A 105 2.561 4.953 9.397 1.00 0.00 H new ATOM 1634 N THR A 106 -0.277 2.500 9.869 1.00 0.00 N ATOM 1635 CA THR A 106 -1.708 2.349 9.634 1.00 0.00 C ATOM 1636 C THR A 106 -2.371 3.707 9.434 1.00 0.00 C ATOM 1637 O THR A 106 -2.366 4.551 10.331 1.00 0.00 O ATOM 1638 CB THR A 106 -2.365 1.616 10.804 1.00 0.00 C ATOM 1639 OG1 THR A 106 -1.638 0.447 11.137 1.00 0.00 O ATOM 1640 CG2 THR A 106 -3.795 1.205 10.527 1.00 0.00 C ATOM 0 H THR A 106 -0.044 3.050 10.696 1.00 0.00 H new ATOM 0 HA THR A 106 -1.841 1.761 8.726 1.00 0.00 H new ATOM 0 HB THR A 106 -2.363 2.330 11.628 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.074 -0.006 11.889 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.201 0.690 11.398 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.394 2.091 10.318 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.821 0.537 9.666 1.00 0.00 H new ATOM 1648 N LYS A 107 -2.941 3.912 8.251 1.00 0.00 N ATOM 1649 CA LYS A 107 -3.609 5.169 7.932 1.00 0.00 C ATOM 1650 C LYS A 107 -4.940 4.916 7.229 1.00 0.00 C ATOM 1651 O LYS A 107 -5.068 3.982 6.439 1.00 0.00 O ATOM 1652 CB LYS A 107 -2.711 6.037 7.049 1.00 0.00 C ATOM 1653 CG LYS A 107 -1.703 6.863 7.830 1.00 0.00 C ATOM 1654 CD LYS A 107 -0.592 7.383 6.931 1.00 0.00 C ATOM 1655 CE LYS A 107 -0.207 8.810 7.288 1.00 0.00 C ATOM 1656 NZ LYS A 107 1.082 8.868 8.032 1.00 0.00 N ATOM 0 H LYS A 107 -2.954 3.224 7.498 1.00 0.00 H new ATOM 0 HA LYS A 107 -3.806 5.694 8.867 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.177 5.396 6.348 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -3.336 6.706 6.457 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -2.210 7.702 8.306 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -1.273 6.256 8.627 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.281 6.737 7.019 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -0.915 7.342 5.891 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.127 9.403 6.377 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.996 9.258 7.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 1.309 9.858 8.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 0.999 8.323 8.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 1.840 8.464 7.446 1.00 0.00 H new ATOM 1670 N VAL A 108 -5.927 5.757 7.521 1.00 0.00 N ATOM 1671 CA VAL A 108 -7.247 5.625 6.915 1.00 0.00 C ATOM 1672 C VAL A 108 -7.415 6.597 5.751 1.00 0.00 C ATOM 1673 O VAL A 108 -7.259 7.807 5.912 1.00 0.00 O ATOM 1674 CB VAL A 108 -8.367 5.876 7.944 1.00 0.00 C ATOM 1675 CG1 VAL A 108 -9.730 5.589 7.332 1.00 0.00 C ATOM 1676 CG2 VAL A 108 -8.147 5.033 9.191 1.00 0.00 C ATOM 0 H VAL A 108 -5.838 6.536 8.173 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.326 4.602 6.547 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.338 6.926 8.234 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -10.508 5.772 8.074 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -9.888 6.241 6.473 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -9.773 4.548 7.011 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.948 5.224 9.905 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -8.146 3.977 8.921 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -7.189 5.293 9.642 1.00 0.00 H new ATOM 1686 N VAL A 109 -7.733 6.057 4.579 1.00 0.00 N ATOM 1687 CA VAL A 109 -7.923 6.876 3.387 1.00 0.00 C ATOM 1688 C VAL A 109 -9.131 6.404 2.585 1.00 0.00 C ATOM 1689 O VAL A 109 -9.140 5.295 2.051 1.00 0.00 O ATOM 1690 CB VAL A 109 -6.678 6.847 2.481 1.00 0.00 C ATOM 1691 CG1 VAL A 109 -6.815 7.856 1.351 1.00 0.00 C ATOM 1692 CG2 VAL A 109 -5.420 7.115 3.294 1.00 0.00 C ATOM 0 H VAL A 109 -7.864 5.057 4.429 1.00 0.00 H new ATOM 0 HA VAL A 109 -8.091 7.898 3.728 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.595 5.853 2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -5.926 7.821 0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.693 7.615 0.752 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -6.925 8.857 1.768 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.550 7.091 2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -5.493 8.096 3.764 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.315 6.351 4.064 1.00 0.00 H new ATOM 1702 N GLY A 110 -10.149 7.255 2.505 1.00 0.00 N ATOM 1703 CA GLY A 110 -11.349 6.907 1.765 1.00 0.00 C ATOM 1704 C GLY A 110 -12.245 5.953 2.530 1.00 0.00 C ATOM 1705 O GLY A 110 -12.926 5.117 1.934 1.00 0.00 O ATOM 0 H GLY A 110 -10.165 8.178 2.939 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.905 7.815 1.532 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -11.068 6.453 0.815 1.00 0.00 H new ATOM 1709 N GLY A 111 -12.244 6.075 3.853 1.00 0.00 N ATOM 1710 CA GLY A 111 -13.066 5.209 4.678 1.00 0.00 C ATOM 1711 C GLY A 111 -12.541 3.787 4.728 1.00 0.00 C ATOM 1712 O GLY A 111 -13.306 2.842 4.917 1.00 0.00 O ATOM 0 H GLY A 111 -11.689 6.758 4.369 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -13.111 5.612 5.690 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -14.085 5.204 4.291 1.00 0.00 H new ATOM 1716 N SER A 112 -11.231 3.636 4.556 1.00 0.00 N ATOM 1717 CA SER A 112 -10.604 2.320 4.582 1.00 0.00 C ATOM 1718 C SER A 112 -9.259 2.371 5.298 1.00 0.00 C ATOM 1719 O SER A 112 -8.474 3.298 5.102 1.00 0.00 O ATOM 1720 CB SER A 112 -10.417 1.793 3.158 1.00 0.00 C ATOM 1721 OG SER A 112 -11.656 1.706 2.477 1.00 0.00 O ATOM 0 H SER A 112 -10.584 4.409 4.397 1.00 0.00 H new ATOM 0 HA SER A 112 -11.261 1.644 5.130 1.00 0.00 H new ATOM 0 HB2 SER A 112 -9.743 2.451 2.610 1.00 0.00 H new ATOM 0 HB3 SER A 112 -9.947 0.810 3.190 1.00 0.00 H new ATOM 0 HG SER A 112 -11.507 1.368 1.569 1.00 0.00 H new ATOM 1727 N ARG A 113 -9.000 1.367 6.129 1.00 0.00 N ATOM 1728 CA ARG A 113 -7.750 1.296 6.875 1.00 0.00 C ATOM 1729 C ARG A 113 -6.625 0.750 6.002 1.00 0.00 C ATOM 1730 O ARG A 113 -6.755 -0.317 5.403 1.00 0.00 O ATOM 1731 CB ARG A 113 -7.920 0.413 8.111 1.00 0.00 C ATOM 1732 CG ARG A 113 -8.168 1.195 9.391 1.00 0.00 C ATOM 1733 CD ARG A 113 -7.353 0.641 10.549 1.00 0.00 C ATOM 1734 NE ARG A 113 -8.043 -0.450 11.232 1.00 0.00 N ATOM 1735 CZ ARG A 113 -7.436 -1.331 12.023 1.00 0.00 C ATOM 1736 NH1 ARG A 113 -6.128 -1.254 12.235 1.00 0.00 N ATOM 1737 NH2 ARG A 113 -8.140 -2.293 12.607 1.00 0.00 N ATOM 0 H ARG A 113 -9.639 0.591 6.303 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.487 2.306 7.189 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.753 -0.271 7.946 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -7.026 -0.198 8.236 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.913 2.243 9.234 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -9.228 1.159 9.641 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -6.391 0.286 10.178 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -7.145 1.440 11.261 1.00 0.00 H new ATOM 0 HE ARG A 113 -9.049 -0.542 11.095 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -5.582 -0.516 11.790 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -5.669 -1.933 12.843 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -9.146 -2.357 12.449 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -7.675 -2.969 13.213 1.00 0.00 H new ATOM 1751 N CYS A 114 -5.522 1.484 5.938 1.00 0.00 N ATOM 1752 CA CYS A 114 -4.374 1.068 5.141 1.00 0.00 C ATOM 1753 C CYS A 114 -3.149 0.859 6.023 1.00 0.00 C ATOM 1754 O CYS A 114 -2.394 1.797 6.282 1.00 0.00 O ATOM 1755 CB CYS A 114 -4.072 2.112 4.064 1.00 0.00 C ATOM 1756 SG CYS A 114 -3.442 1.417 2.519 1.00 0.00 S ATOM 0 H CYS A 114 -5.397 2.370 6.428 1.00 0.00 H new ATOM 0 HA CYS A 114 -4.618 0.121 4.660 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -4.982 2.674 3.853 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -3.343 2.821 4.455 1.00 0.00 H new ATOM 0 HG CYS A 114 -4.369 1.471 1.609 1.00 0.00 H new ATOM 1762 N THR A 115 -2.953 -0.374 6.480 1.00 0.00 N ATOM 1763 CA THR A 115 -1.814 -0.692 7.330 1.00 0.00 C ATOM 1764 C THR A 115 -0.667 -1.276 6.513 1.00 0.00 C ATOM 1765 O THR A 115 -0.884 -2.046 5.577 1.00 0.00 O ATOM 1766 CB THR A 115 -2.204 -1.681 8.426 1.00 0.00 C ATOM 1767 OG1 THR A 115 -3.236 -1.153 9.241 1.00 0.00 O ATOM 1768 CG2 THR A 115 -1.047 -2.050 9.329 1.00 0.00 C ATOM 0 H THR A 115 -3.565 -1.164 6.277 1.00 0.00 H new ATOM 0 HA THR A 115 -1.487 0.240 7.791 1.00 0.00 H new ATOM 0 HB THR A 115 -2.540 -2.576 7.903 1.00 0.00 H new ATOM 0 HG1 THR A 115 -2.924 -1.097 10.168 1.00 0.00 H new ATOM 0 HG21 THR A 115 -1.388 -2.755 10.087 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.255 -2.508 8.737 1.00 0.00 H new ATOM 0 HG23 THR A 115 -0.664 -1.153 9.815 1.00 0.00 H new ATOM 1776 N ILE A 116 0.551 -0.918 6.893 1.00 0.00 N ATOM 1777 CA ILE A 116 1.739 -1.416 6.225 1.00 0.00 C ATOM 1778 C ILE A 116 2.650 -2.092 7.246 1.00 0.00 C ATOM 1779 O ILE A 116 2.811 -1.600 8.361 1.00 0.00 O ATOM 1780 CB ILE A 116 2.478 -0.274 5.475 1.00 0.00 C ATOM 1781 CG1 ILE A 116 2.571 -0.590 3.984 1.00 0.00 C ATOM 1782 CG2 ILE A 116 3.866 -0.011 6.044 1.00 0.00 C ATOM 1783 CD1 ILE A 116 2.966 0.605 3.148 1.00 0.00 C ATOM 0 H ILE A 116 0.740 -0.280 7.666 1.00 0.00 H new ATOM 0 HA ILE A 116 1.445 -2.152 5.476 1.00 0.00 H new ATOM 0 HB ILE A 116 1.892 0.634 5.617 1.00 0.00 H new ATOM 0 HG12 ILE A 116 3.298 -1.388 3.833 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.608 -0.966 3.638 1.00 0.00 H new ATOM 0 HG21 ILE A 116 4.341 0.796 5.486 1.00 0.00 H new ATOM 0 HG22 ILE A 116 3.781 0.274 7.093 1.00 0.00 H new ATOM 0 HG23 ILE A 116 4.470 -0.914 5.961 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.015 0.315 2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.227 1.396 3.272 1.00 0.00 H new ATOM 0 HD13 ILE A 116 3.942 0.967 3.470 1.00 0.00 H new ATOM 1795 N CYS A 117 3.216 -3.236 6.877 1.00 0.00 N ATOM 1796 CA CYS A 117 4.074 -3.977 7.794 1.00 0.00 C ATOM 1797 C CYS A 117 5.404 -4.358 7.155 1.00 0.00 C ATOM 1798 O CYS A 117 5.460 -4.740 5.986 1.00 0.00 O ATOM 1799 CB CYS A 117 3.353 -5.242 8.264 1.00 0.00 C ATOM 1800 SG CYS A 117 1.771 -4.931 9.081 1.00 0.00 S ATOM 0 H CYS A 117 3.098 -3.667 5.960 1.00 0.00 H new ATOM 0 HA CYS A 117 4.288 -3.326 8.642 1.00 0.00 H new ATOM 0 HB2 CYS A 117 3.184 -5.891 7.405 1.00 0.00 H new ATOM 0 HB3 CYS A 117 4.004 -5.784 8.950 1.00 0.00 H new ATOM 0 HG CYS A 117 1.545 -5.863 9.958 1.00 0.00 H new ATOM 1806 N ASP A 118 6.470 -4.274 7.946 1.00 0.00 N ATOM 1807 CA ASP A 118 7.800 -4.632 7.476 1.00 0.00 C ATOM 1808 C ASP A 118 7.930 -6.146 7.384 1.00 0.00 C ATOM 1809 O ASP A 118 7.459 -6.870 8.261 1.00 0.00 O ATOM 1810 CB ASP A 118 8.868 -4.072 8.418 1.00 0.00 C ATOM 1811 CG ASP A 118 10.251 -4.087 7.797 1.00 0.00 C ATOM 1812 OD1 ASP A 118 10.398 -3.589 6.661 1.00 0.00 O ATOM 1813 OD2 ASP A 118 11.189 -4.597 8.447 1.00 0.00 O ATOM 0 H ASP A 118 6.436 -3.961 8.916 1.00 0.00 H new ATOM 0 HA ASP A 118 7.947 -4.201 6.486 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.607 -3.050 8.692 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.879 -4.656 9.338 1.00 0.00 H new ATOM 1818 N VAL A 119 8.561 -6.624 6.320 1.00 0.00 N ATOM 1819 CA VAL A 119 8.735 -8.053 6.128 1.00 0.00 C ATOM 1820 C VAL A 119 10.010 -8.535 6.808 1.00 0.00 C ATOM 1821 O VAL A 119 11.114 -8.322 6.308 1.00 0.00 O ATOM 1822 CB VAL A 119 8.773 -8.417 4.631 1.00 0.00 C ATOM 1823 CG1 VAL A 119 8.599 -9.915 4.440 1.00 0.00 C ATOM 1824 CG2 VAL A 119 7.702 -7.646 3.866 1.00 0.00 C ATOM 0 H VAL A 119 8.958 -6.044 5.581 1.00 0.00 H new ATOM 0 HA VAL A 119 7.878 -8.551 6.582 1.00 0.00 H new ATOM 0 HB VAL A 119 9.747 -8.135 4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 119 8.629 -10.152 3.377 1.00 0.00 H new ATOM 0 HG12 VAL A 119 9.403 -10.443 4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 119 7.640 -10.226 4.854 1.00 0.00 H new ATOM 0 HG21 VAL A 119 7.744 -7.916 2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 119 6.719 -7.895 4.266 1.00 0.00 H new ATOM 0 HG23 VAL A 119 7.877 -6.576 3.974 1.00 0.00 H new ATOM 1834 N VAL A 120 9.847 -9.172 7.960 1.00 0.00 N ATOM 1835 CA VAL A 120 10.980 -9.676 8.725 1.00 0.00 C ATOM 1836 C VAL A 120 10.841 -11.169 8.993 1.00 0.00 C ATOM 1837 O VAL A 120 9.748 -11.660 9.275 1.00 0.00 O ATOM 1838 CB VAL A 120 11.126 -8.933 10.067 1.00 0.00 C ATOM 1839 CG1 VAL A 120 11.901 -7.638 9.879 1.00 0.00 C ATOM 1840 CG2 VAL A 120 9.761 -8.657 10.682 1.00 0.00 C ATOM 0 H VAL A 120 8.938 -9.352 8.386 1.00 0.00 H new ATOM 0 HA VAL A 120 11.872 -9.501 8.124 1.00 0.00 H new ATOM 0 HB VAL A 120 11.685 -9.571 10.752 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.994 -7.127 10.837 1.00 0.00 H new ATOM 0 HG12 VAL A 120 12.894 -7.862 9.489 1.00 0.00 H new ATOM 0 HG13 VAL A 120 11.371 -6.996 9.175 1.00 0.00 H new ATOM 0 HG21 VAL A 120 9.888 -8.132 11.629 1.00 0.00 H new ATOM 0 HG22 VAL A 120 9.173 -8.041 10.001 1.00 0.00 H new ATOM 0 HG23 VAL A 120 9.243 -9.600 10.857 1.00 0.00 H new ATOM 1850 N LYS A 121 11.954 -11.886 8.902 1.00 0.00 N ATOM 1851 CA LYS A 121 11.957 -13.325 9.131 1.00 0.00 C ATOM 1852 C LYS A 121 11.835 -13.640 10.618 1.00 0.00 C ATOM 1853 O LYS A 121 12.686 -13.252 11.419 1.00 0.00 O ATOM 1854 CB LYS A 121 13.235 -13.950 8.569 1.00 0.00 C ATOM 1855 CG LYS A 121 13.221 -15.470 8.574 1.00 0.00 C ATOM 1856 CD LYS A 121 14.180 -16.039 7.540 1.00 0.00 C ATOM 1857 CE LYS A 121 13.496 -16.246 6.198 1.00 0.00 C ATOM 1858 NZ LYS A 121 13.718 -17.620 5.668 1.00 0.00 N ATOM 0 H LYS A 121 12.867 -11.494 8.671 1.00 0.00 H new ATOM 0 HA LYS A 121 11.096 -13.751 8.616 1.00 0.00 H new ATOM 0 HB2 LYS A 121 13.382 -13.600 7.547 1.00 0.00 H new ATOM 0 HB3 LYS A 121 14.087 -13.601 9.152 1.00 0.00 H new ATOM 0 HG2 LYS A 121 13.494 -15.834 9.564 1.00 0.00 H new ATOM 0 HG3 LYS A 121 12.211 -15.826 8.370 1.00 0.00 H new ATOM 0 HD2 LYS A 121 15.027 -15.364 7.417 1.00 0.00 H new ATOM 0 HD3 LYS A 121 14.579 -16.989 7.896 1.00 0.00 H new ATOM 0 HE2 LYS A 121 12.426 -16.066 6.304 1.00 0.00 H new ATOM 0 HE3 LYS A 121 13.872 -15.515 5.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 12.903 -17.904 5.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 14.579 -17.632 5.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 13.828 -18.284 6.461 1.00 0.00 H new ATOM 1872 N GLU A 122 10.768 -14.345 10.980 1.00 0.00 N ATOM 1873 CA GLU A 122 10.530 -14.714 12.370 1.00 0.00 C ATOM 1874 C GLU A 122 11.407 -15.894 12.778 1.00 0.00 C ATOM 1875 O GLU A 122 11.740 -16.745 11.953 1.00 0.00 O ATOM 1876 CB GLU A 122 9.053 -15.058 12.582 1.00 0.00 C ATOM 1877 CG GLU A 122 8.373 -14.197 13.632 1.00 0.00 C ATOM 1878 CD GLU A 122 8.708 -14.628 15.047 1.00 0.00 C ATOM 1879 OE1 GLU A 122 8.971 -15.831 15.254 1.00 0.00 O ATOM 1880 OE2 GLU A 122 8.707 -13.762 15.947 1.00 0.00 O ATOM 0 H GLU A 122 10.054 -14.672 10.329 1.00 0.00 H new ATOM 0 HA GLU A 122 10.789 -13.861 12.997 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.524 -14.948 11.636 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.971 -16.105 12.874 1.00 0.00 H new ATOM 0 HG2 GLU A 122 8.671 -13.158 13.493 1.00 0.00 H new ATOM 0 HG3 GLU A 122 7.293 -14.241 13.489 1.00 0.00 H new ATOM 1887 N GLU A 123 11.778 -15.937 14.056 1.00 0.00 N ATOM 1888 CA GLU A 123 12.618 -17.010 14.585 1.00 0.00 C ATOM 1889 C GLU A 123 13.793 -17.309 13.656 1.00 0.00 C ATOM 1890 O GLU A 123 14.302 -18.448 13.693 1.00 0.00 O ATOM 1891 CB GLU A 123 11.786 -18.278 14.803 1.00 0.00 C ATOM 1892 CG GLU A 123 11.284 -18.913 13.516 1.00 0.00 C ATOM 1893 CD GLU A 123 10.673 -20.282 13.741 1.00 0.00 C ATOM 1894 OE1 GLU A 123 9.594 -20.354 14.366 1.00 0.00 O ATOM 1895 OE2 GLU A 123 11.273 -21.280 13.291 1.00 0.00 O ATOM 1896 OXT GLU A 123 14.191 -16.400 12.898 1.00 0.00 O ATOM 0 H GLU A 123 11.509 -15.237 14.748 1.00 0.00 H new ATOM 0 HA GLU A 123 13.020 -16.676 15.541 1.00 0.00 H new ATOM 0 HB2 GLU A 123 12.388 -19.007 15.346 1.00 0.00 H new ATOM 0 HB3 GLU A 123 10.931 -18.036 15.435 1.00 0.00 H new ATOM 0 HG2 GLU A 123 10.542 -18.259 13.058 1.00 0.00 H new ATOM 0 HG3 GLU A 123 12.111 -19.000 12.811 1.00 0.00 H new TER 1903 GLU A 123